NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
26223 | 2kgd | 16202 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.600 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.61505E-02 ppm1 4.556 ppm2 2.706 CV 1 ASSI { 4} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 4.556 ppm2 3.053 CV 1 ASSI { 16} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.14529E-02 ppm1 2.779 ppm2 4.247 CV 1 ASSI { 17} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.22268E-02 ppm1 2.722 ppm2 4.246 CV 1 ASSI { 19} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27085E-02 ppm1 2.772 ppm2 4.492 CV 1 ASSI { 22} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 77 and name HN )) 3.500 1.600 1.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.19116E-02 ppm1 2.720 ppm2 8.013 CV 1 ASSI { 23} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.31596E-02 ppm1 4.493 ppm2 8.695 CV 1 ASSI { 25} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HN )) 4.000 2.000 2.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.86006E-03 ppm1 2.469 ppm2 7.752 CV 1 ASSI { 27} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 4.300 2.300 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 2.507 ppm2 7.840 CV 1 ASSI { 28} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) 2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.81254E-02 ppm1 4.065 ppm2 8.247 CV 1 OR { 28} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) OR { 28} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) OR { 28} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) ASSI { 29} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) 3.800 1.800 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.25414E-02 ppm1 1.012 ppm2 4.276 CV 1 ASSI { 30} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.600 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.29877E-02 ppm1 4.310 ppm2 8.410 CV 1 ASSI { 31} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.100 0.500 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.80504E-02 ppm1 1.215 ppm2 7.300 CV 1 ASSI { 32} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) 2.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.34747E-02 ppm1 6.816 ppm2 0.635 CV 1 OR { 32} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) OR { 32} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) ASSI { 33} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) 2.600 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.36300E-02 ppm1 6.760 ppm2 0.771 CV 1 OR { 33} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) ASSI { 39} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 68 and name HG2%) 4.600 2.700 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.10613E-03 ppm1 6.893 ppm2 1.221 CV 1 ASSI { 40} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 45 and name HD1%) 3.800 1.800 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.45666E-03 ppm1 7.117 ppm2 0.233 CV 1 OR { 40} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 45 and name HD1%) ASSI { 41} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 45 and name HD1%) 3.900 1.900 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.54950E-03 ppm1 6.932 ppm2 0.230 CV 1 OR { 41} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 45 and name HD1%) ASSI { 43} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD1%) 4.000 2.000 2.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 6.977 ppm2 0.229 CV 1 OR { 43} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD1%) ASSI { 44} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) 3.400 1.500 1.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13532E-02 ppm1 7.445 ppm2 0.631 CV 1 OR { 44} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) OR { 44} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) ASSI { 45} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HN )) 4.400 2.500 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.33959E-03 ppm1 7.217 ppm2 8.042 CV 1 OR { 45} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HN )) ASSI { 46} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.38229E-03 ppm1 7.343 ppm2 8.830 CV 1 ASSI { 48} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB )) 2.600 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.34880E-02 ppm1 0.801 ppm2 1.940 CV 1 ASSI { 49} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 0.800 ppm2 2.216 CV 1 ASSI { 51} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG11)) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.61045E-02 ppm1 0.800 ppm2 1.720 CV 1 ASSI { 54} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 49 and name HB% ) 3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.15453E-02 ppm1 0.800 ppm2 1.532 CV 1 ASSI { 55} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB2 )) 3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 0.797 ppm2 1.458 CV 1 ASSI { 57} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG12)) 2.300 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.51954E-02 ppm1 0.799 ppm2 1.291 CV 1 ASSI { 60} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 75 and name HA )) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 0.799 ppm2 3.898 CV 1 ASSI { 61} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 0.799 ppm2 3.746 CV 1 ASSI { 64} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HN )) 3.300 3.300 2.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.40983E-03 ppm1 0.796 ppm2 8.979 CV 1 ASSI { 65} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 79 and name HN )) 3.400 1.400 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.34448E-03 ppm1 0.800 ppm2 8.880 CV 1 ASSI { 66} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.500 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.29494E-03 ppm1 0.802 ppm2 7.434 CV 1 ASSI { 67} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG12)) 2.100 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.10306E-01 ppm1 0.846 ppm2 1.106 CV 1 ASSI { 68} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.100 0.500 0.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.12699E-01 ppm1 0.867 ppm2 1.065 CV 1 ASSI { 70} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 81 and name HB% ) 3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.24496E-02 ppm1 0.846 ppm2 1.632 CV 1 ASSI { 71} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG11)) 2.100 0.500 0.500 peak 71 spectrum 1 weight 0.10000E+01 volume 0.87793E-02 ppm1 0.870 ppm2 1.822 CV 1 ASSI { 72} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG11)) 2.100 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.91473E-02 ppm1 0.848 ppm2 1.494 CV 1 ASSI { 73} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG12)) 2.200 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.62510E-02 ppm1 0.868 ppm2 1.537 CV 1 ASSI { 75} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.62679E-02 ppm1 0.873 ppm2 2.459 CV 1 ASSI { 78} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.300 1.400 1.400 peak 78 spectrum 1 weight 0.10000E+01 volume 0.11088E-02 ppm1 0.872 ppm2 2.796 CV 1 ASSI { 81} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.13506E-02 ppm1 0.844 ppm2 3.750 CV 1 ASSI { 82} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.33727E-02 ppm1 0.872 ppm2 4.374 CV 1 ASSI { 85} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11438E-02 ppm1 0.873 ppm2 7.313 CV 1 ASSI { 87} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.23380E-02 ppm1 0.873 ppm2 7.117 CV 1 ASSI { 88} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HD% ) 3.200 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.22071E-02 ppm1 0.872 ppm2 6.968 CV 1 ASSI { 89} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.300 1.400 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.15533E-02 ppm1 0.873 ppm2 6.762 CV 1 ASSI { 91} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HN )) 4.500 2.500 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.51546E-03 ppm1 0.845 ppm2 8.261 CV 1 ASSI { 92} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HN )) 4.400 2.400 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.64700E-03 ppm1 0.845 ppm2 8.143 CV 1 ASSI { 94} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD2%) 2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.52873E-02 ppm1 0.873 ppm2 0.621 CV 1 OR { 94} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD1%) ASSI { 96} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB2 )) 3.900 1.900 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 0.870 ppm2 1.373 CV 1 ASSI { 97} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG12)) 2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.40526E-02 ppm1 0.873 ppm2 1.298 CV 1 ASSI { 101} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG11)) 3.300 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.31212E-02 ppm1 0.872 ppm2 1.727 CV 1 ASSI { 104} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 60 and name HD1%) 2.400 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.52015E-02 ppm1 1.028 ppm2 0.838 CV 1 ASSI { 105} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 74 and name HD1%) 2.900 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.25053E-02 ppm1 1.528 ppm2 1.068 CV 1 OR { 105} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 74 and name HD2%) ASSI { 107} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.200 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.61637E-02 ppm1 0.873 ppm2 1.939 CV 1 ASSI { 108} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HG )) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.19888E-02 ppm1 0.873 ppm2 1.844 CV 1 ASSI { 109} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HB )) 2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.32208E-02 ppm1 1.028 ppm2 2.211 CV 1 ASSI { 110} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB2 )) 4.200 2.200 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.56405E-03 ppm1 1.028 ppm2 2.085 CV 1 ASSI { 115} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.34624E-02 ppm1 1.029 ppm2 3.576 CV 1 ASSI { 116} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 75 and name HA )) 4.100 2.100 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.80325E-03 ppm1 0.872 ppm2 3.890 CV 1 ASSI { 117} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.55874E-02 ppm1 0.873 ppm2 3.745 CV 1 ASSI { 118} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB1 )) 4.100 2.100 1.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.48817E-03 ppm1 0.873 ppm2 3.461 CV 1 ASSI { 120} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.10501E-01 ppm1 1.527 ppm2 3.955 CV 1 ASSI { 121} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.47185E-02 ppm1 1.029 ppm2 4.664 CV 1 ASSI { 122} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 122 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 0.872 ppm2 4.905 CV 1 ASSI { 123} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.900 1.900 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.42920E-03 ppm1 0.872 ppm2 7.442 CV 1 ASSI { 124} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HN )) 4.300 2.400 1.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.53485E-03 ppm1 1.029 ppm2 7.408 CV 1 ASSI { 126} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HN )) 3.300 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.13155E-02 ppm1 1.028 ppm2 8.218 CV 1 ASSI { 127} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.600 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.48164E-02 ppm1 1.528 ppm2 8.233 CV 1 ASSI { 129} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.84327E-02 ppm1 1.529 ppm2 8.762 CV 1 ASSI { 130} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.200 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.67900E-02 ppm1 1.028 ppm2 1.788 CV 1 ASSI { 133} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 45 and name HD2%) 4.100 2.100 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.73015E-03 ppm1 1.530 ppm2 0.363 CV 1 ASSI { 134} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.100 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10318E-01 ppm1 1.393 ppm2 3.980 CV 1 ASSI { 136} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.21244E-02 ppm1 1.393 ppm2 4.267 CV 1 ASSI { 138} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HA )) 2.200 0.600 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11060E-01 ppm1 1.525 ppm2 4.312 CV 1 ASSI { 139} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.28107E-02 ppm1 1.524 ppm2 4.587 CV 1 ASSI { 140} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 1.630 ppm2 3.746 CV 1 ASSI { 142} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.100 0.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.14229E-01 ppm1 1.630 ppm2 4.462 CV 1 ASSI { 144} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 58 and name HA )) 4.500 2.500 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.53148E-03 ppm1 1.630 ppm2 4.678 CV 1 ASSI { 145} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 10 and name HA )) 2.600 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.29329E-02 ppm1 1.673 ppm2 4.214 CV 1 ASSI { 146} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA2 )) 4.200 2.300 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.91340E-03 ppm1 1.628 ppm2 4.023 CV 1 OR { 146} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA1 )) ASSI { 150} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HD2 )) 4.400 2.400 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.55221E-03 ppm1 1.638 ppm2 3.315 CV 1 ASSI { 151} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB1 )) 3.800 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.57314E-03 ppm1 1.524 ppm2 3.006 CV 1 ASSI { 153} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HG1 )) 3.500 1.600 1.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.10414E-02 ppm1 1.393 ppm2 2.833 CV 1 ASSI { 154} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 47 and name HB2 )) 5.000 3.100 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.42960E-03 ppm1 1.522 ppm2 2.203 CV 1 ASSI { 155} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HB )) 3.800 1.800 1.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.15870E-02 ppm1 1.392 ppm2 2.197 CV 1 ASSI { 157} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 58 and name HB )) 2.600 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.30181E-02 ppm1 1.632 ppm2 2.137 CV 1 ASSI { 158} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.600 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.37269E-02 ppm1 1.393 ppm2 1.035 CV 1 ASSI { 162} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD1%) 2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 1.674 ppm2 0.869 CV 1 ASSI { 165} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HA )) 2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.94664E-02 ppm1 1.573 ppm2 4.478 CV 1 ASSI { 166} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.85858E-02 ppm1 1.545 ppm2 4.375 CV 1 ASSI { 168} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.600 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.45295E-02 ppm1 1.061 ppm2 4.667 CV 1 ASSI { 169} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 84 and name HA )) 3.700 1.700 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.99472E-03 ppm1 1.609 ppm2 4.407 CV 1 ASSI { 170} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.14054E-01 ppm1 1.609 ppm2 4.284 CV 1 ASSI { 172} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HA )) 3.000 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.21252E-02 ppm1 1.546 ppm2 3.942 CV 1 ASSI { 174} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HA )) 3.600 1.600 1.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.87926E-03 ppm1 0.926 ppm2 4.221 CV 1 ASSI { 176} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB1 )) 3.100 1.200 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.15044E-02 ppm1 0.926 ppm2 3.458 CV 1 ASSI { 178} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.800 1.000 1.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.31261E-02 ppm1 0.924 ppm2 4.684 CV 1 ASSI { 179} ( segid " " and resid 83 and name HB% ) ( segid " " and resid 4 and name HD1%) 2.300 2.300 3.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.32584E-02 ppm1 1.610 ppm2 0.884 CV 1 ASSI { 182} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG12)) 2.600 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.30991E-02 ppm1 1.063 ppm2 1.538 CV 1 ASSI { 183} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HB1 )) 3.200 1.300 1.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.32155E-02 ppm1 1.061 ppm2 1.791 CV 1 OR { 183} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HG )) ASSI { 184} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG2 )) 4.000 2.000 2.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.19357E-02 ppm1 0.925 ppm2 2.331 CV 1 OR { 184} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HB2 )) ASSI { 185} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HB )) 2.200 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.76956E-02 ppm1 0.923 ppm2 2.137 CV 1 ASSI { 186} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HG )) 3.500 1.500 1.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 0.926 ppm2 1.837 CV 1 ASSI { 187} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HB1 )) 4.400 2.400 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.82908E-03 ppm1 0.926 ppm2 2.516 CV 1 ASSI { 188} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.48423E-02 ppm1 1.062 ppm2 2.463 CV 1 ASSI { 189} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 81 and name HB% ) 2.600 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.47765E-02 ppm1 0.924 ppm2 1.628 CV 1 ASSI { 192} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HA )) 4.300 2.300 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.81637E-03 ppm1 1.063 ppm2 4.366 CV 1 ASSI { 193} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HD% ) 3.800 1.800 1.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.94046E-03 ppm1 1.546 ppm2 6.973 CV 1 ASSI { 194} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.300 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.18036E-02 ppm1 1.547 ppm2 6.758 CV 1 ASSI { 197} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.66895E-02 ppm1 1.573 ppm2 7.830 CV 1 ASSI { 198} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HN )) 2.200 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.12697E-01 ppm1 1.608 ppm2 7.960 CV 1 ASSI { 199} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HN )) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.52980E-02 ppm1 0.925 ppm2 7.526 CV 1 ASSI { 203} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HN )) 3.500 1.500 1.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.11536E-02 ppm1 1.573 ppm2 7.964 CV 1 ASSI { 205} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 4.100 2.100 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.17481E-02 ppm1 0.924 ppm2 8.485 CV 1 ASSI { 206} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HN )) 3.900 1.900 1.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.66298E-03 ppm1 0.924 ppm2 8.276 CV 1 ASSI { 208} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HN )) 3.300 1.400 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.15405E-02 ppm1 1.485 ppm2 7.977 CV 1 ASSI { 209} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 1.214 ppm2 7.481 CV 1 ASSI { 211} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HN )) 4.100 2.100 1.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.93352E-03 ppm1 1.213 ppm2 7.711 CV 1 ASSI { 213} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HN )) 4.100 2.100 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.10774E-02 ppm1 1.130 ppm2 8.320 CV 1 ASSI { 214} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.97670E-03 ppm1 1.214 ppm2 9.095 CV 1 ASSI { 215} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) 3.400 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.17212E-02 ppm1 1.130 ppm2 8.761 CV 1 ASSI { 216} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HD% ) 3.400 1.400 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 1.215 ppm2 7.118 CV 1 ASSI { 217} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HE% ) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.39600E-02 ppm1 1.215 ppm2 6.922 CV 1 OR { 217} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 35 and name HZ )) ASSI { 218} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.47870E-03 ppm1 1.130 ppm2 6.758 CV 1 ASSI { 219} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.34705E-02 ppm1 1.215 ppm2 4.445 CV 1 ASSI { 220} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 3.400 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.23502E-02 ppm1 1.215 ppm2 4.308 CV 1 ASSI { 221} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 65 and name HA )) 2.900 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.18671E-02 ppm1 1.215 ppm2 3.984 CV 1 ASSI { 222} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HA2 )) 4.000 2.000 2.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.37739E-03 ppm1 1.218 ppm2 3.854 CV 1 ASSI { 227} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HB2 )) 4.800 2.900 1.200 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 1.214 ppm2 2.281 CV 1 ASSI { 232} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 13 and name HB% ) 2.400 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.62250E-02 ppm1 1.130 ppm2 1.672 CV 1 ASSI { 233} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.46438E-02 ppm1 1.215 ppm2 1.707 CV 1 ASSI { 234} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HG )) 2.400 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.59774E-02 ppm1 1.214 ppm2 1.011 CV 1 ASSI { 237} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD1%) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.84781E-02 ppm1 1.130 ppm2 0.766 CV 1 ASSI { 238} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD2%) 2.800 1.000 1.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.42355E-02 ppm1 1.215 ppm2 0.360 CV 1 ASSI { 239} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD1%) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.37583E-02 ppm1 1.215 ppm2 0.230 CV 1 ASSI { 240} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 2.300 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.51209E-02 ppm1 0.979 ppm2 2.209 CV 1 ASSI { 242} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.98482E-02 ppm1 1.040 ppm2 2.276 CV 1 ASSI { 243} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 45 and name HD2%) 3.700 1.700 1.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.10063E-02 ppm1 1.131 ppm2 0.362 CV 1 ASSI { 244} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 45 and name HD1%) 4.700 2.700 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.48916E-03 ppm1 1.132 ppm2 0.231 CV 1 ASSI { 245} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 26 and name HD1%) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.28238E-02 ppm1 1.283 ppm2 0.696 CV 1 ASSI { 247} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.100 0.600 0.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.78487E-02 ppm1 0.973 ppm2 2.137 CV 1 ASSI { 248} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 81 and name HB% ) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.40420E-02 ppm1 0.975 ppm2 1.625 CV 1 ASSI { 249} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HG1 )) 2.800 2.800 3.200 peak 249 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 1.079 ppm2 1.933 CV 1 ASSI { 252} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB1 )) 2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.30174E-02 ppm1 1.080 ppm2 3.021 CV 1 ASSI { 253} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB2 )) 2.900 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.25254E-02 ppm1 1.081 ppm2 2.886 CV 1 ASSI { 255} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HD1 )) 3.700 1.700 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.43916E-03 ppm1 1.082 ppm2 3.459 CV 1 ASSI { 257} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 61 and name HD2 )) 4.400 2.400 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.54782E-03 ppm1 0.982 ppm2 3.581 CV 1 ASSI { 258} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB1 )) 3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 0.973 ppm2 3.466 CV 1 ASSI { 259} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 82 and name HA )) 3.800 1.800 1.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 0.974 ppm2 4.211 CV 1 ASSI { 260} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.14604E-02 ppm1 0.971 ppm2 4.093 CV 1 ASSI { 263} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.32813E-02 ppm1 0.979 ppm2 3.825 CV 1 ASSI { 266} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.59049E-02 ppm1 1.040 ppm2 3.941 CV 1 ASSI { 267} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HD1 )) 4.000 2.000 2.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 1.080 ppm2 4.033 CV 1 ASSI { 268} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.34834E-02 ppm1 1.081 ppm2 4.740 CV 1 ASSI { 269} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HB )) 2.300 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.63026E-02 ppm1 1.081 ppm2 4.631 CV 1 ASSI { 271} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HB )) 2.400 0.700 0.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.84516E-02 ppm1 1.245 ppm2 4.372 CV 1 ASSI { 272} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HA )) 2.700 0.900 0.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 1.280 ppm2 4.337 CV 1 ASSI { 273} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HB )) 2.300 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.86022E-02 ppm1 1.282 ppm2 4.229 CV 1 ASSI { 274} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HA1 )) 4.200 2.200 1.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.36090E-03 ppm1 1.281 ppm2 4.079 CV 1 OR { 274} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HA2 )) ASSI { 277} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.200 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.99186E-02 ppm1 1.417 ppm2 4.852 CV 1 ASSI { 278} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.200 1.300 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.20512E-02 ppm1 1.417 ppm2 4.528 CV 1 ASSI { 279} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB1 )) 5.200 3.300 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.41460E-03 ppm1 1.419 ppm2 3.034 CV 1 ASSI { 281} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HA )) 4.300 2.300 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.54624E-03 ppm1 1.082 ppm2 5.268 CV 1 ASSI { 282} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.22673E-02 ppm1 1.081 ppm2 5.048 CV 1 ASSI { 283} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HA )) 2.600 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.32898E-02 ppm1 1.081 ppm2 4.963 CV 1 ASSI { 284} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.37879E-03 ppm1 1.081 ppm2 7.216 CV 1 ASSI { 285} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HN )) 3.000 1.200 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.20819E-02 ppm1 1.081 ppm2 7.476 CV 1 ASSI { 286} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.24361E-02 ppm1 0.973 ppm2 7.529 CV 1 ASSI { 287} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HN )) 3.700 1.700 1.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.26094E-02 ppm1 0.978 ppm2 7.408 CV 1 ASSI { 288} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HN )) 4.900 3.000 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.41279E-03 ppm1 1.417 ppm2 7.889 CV 1 ASSI { 289} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HN )) 4.700 2.700 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.68641E-03 ppm1 1.418 ppm2 8.252 CV 1 ASSI { 290} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.22418E-02 ppm1 1.281 ppm2 8.137 CV 1 ASSI { 291} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HN )) 3.100 1.200 1.200 peak 291 spectrum 1 weight 0.10000E+01 volume 0.20097E-02 ppm1 1.244 ppm2 8.254 CV 1 ASSI { 295} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 3.600 1.600 1.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 0.976 ppm2 8.485 CV 1 ASSI { 296} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 3.400 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21494E-02 ppm1 1.281 ppm2 8.610 CV 1 ASSI { 300} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HN )) 4.200 2.200 1.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.19258E-02 ppm1 1.416 ppm2 8.841 CV 1 ASSI { 302} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HN )) 4.800 2.800 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.54072E-03 ppm1 1.081 ppm2 8.993 CV 1 ASSI { 303} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 45 and name HD2%) 3.000 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.13689E-02 ppm1 1.065 ppm2 0.363 CV 1 ASSI { 304} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 45 and name HD1%) 3.000 1.100 1.100 peak 304 spectrum 1 weight 0.10000E+01 volume 0.74587E-03 ppm1 1.068 ppm2 0.225 CV 1 OR { 304} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 45 and name HD1%) ASSI { 306} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD1%) 2.800 2.800 3.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10312E-02 ppm1 1.117 ppm2 0.694 CV 1 ASSI { 308} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB2 )) 3.300 1.300 1.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.23365E-02 ppm1 1.116 ppm2 1.452 CV 1 ASSI { 312} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.40344E-02 ppm1 0.956 ppm2 1.415 CV 1 ASSI { 313} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG )) 2.300 0.600 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.82566E-02 ppm1 0.956 ppm2 1.781 CV 1 OR { 313} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB1 )) ASSI { 316} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HB1 )) 3.300 1.400 1.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.85133E-03 ppm1 1.067 ppm2 2.039 CV 1 OR { 316} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HB1 )) ASSI { 318} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 2.100 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.78661E-02 ppm1 1.033 ppm2 2.209 CV 1 ASSI { 321} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 73 and name HG1 )) 3.600 1.600 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.47474E-03 ppm1 1.118 ppm2 2.624 CV 1 ASSI { 322} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.100 3.100 2.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.56395E-03 ppm1 1.118 ppm2 3.528 CV 1 ASSI { 323} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HD1 )) 3.000 3.000 3.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.63429E-03 ppm1 1.120 ppm2 3.206 CV 1 OR { 323} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HD2 )) ASSI { 324} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.12229E-02 ppm1 1.032 ppm2 3.569 CV 1 ASSI { 326} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HB )) 2.500 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.56344E-02 ppm1 1.382 ppm2 4.186 CV 1 ASSI { 329} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.73720E-02 ppm1 1.117 ppm2 3.940 CV 1 ASSI { 331} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.85036E-02 ppm1 1.068 ppm2 4.310 CV 1 OR { 331} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) ASSI { 332} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 30 and name HA )) 4.200 2.200 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.62847E-03 ppm1 0.957 ppm2 4.749 CV 1 ASSI { 333} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.88140E-02 ppm1 0.957 ppm2 4.318 CV 1 ASSI { 339} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.49188E-02 ppm1 1.033 ppm2 7.406 CV 1 ASSI { 342} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 4.000 2.000 2.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.24386E-02 ppm1 1.382 ppm2 8.148 CV 1 ASSI { 343} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.54389E-02 ppm1 1.117 ppm2 8.458 CV 1 ASSI { 346} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 3.300 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 0.956 ppm2 8.454 CV 1 ASSI { 347} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.47453E-03 ppm1 1.069 ppm2 8.742 CV 1 OR { 347} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HN )) ASSI { 348} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HN )) 4.300 2.300 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.39159E-03 ppm1 1.073 ppm2 8.266 CV 1 OR { 348} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HN )) ASSI { 349} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.600 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.53598E-02 ppm1 1.417 ppm2 9.034 CV 1 ASSI { 350} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.20761E-02 ppm1 1.387 ppm2 8.837 CV 1 ASSI { 351} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HN )) 4.000 2.000 2.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.20625E-02 ppm1 1.134 ppm2 9.097 CV 1 ASSI { 352} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HN )) 3.600 1.600 1.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.12914E-02 ppm1 0.461 ppm2 8.999 CV 1 ASSI { 355} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HN )) 3.900 1.900 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 0.692 ppm2 8.464 CV 1 ASSI { 360} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 83 and name HN )) 4.000 2.000 2.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.89830E-03 ppm1 0.885 ppm2 7.964 CV 1 ASSI { 361} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HN )) 3.700 1.700 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.12874E-02 ppm1 0.988 ppm2 8.278 CV 1 ASSI { 362} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.13677E-02 ppm1 0.883 ppm2 9.432 CV 1 ASSI { 366} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HN )) 4.100 2.100 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.48921E-03 ppm1 1.135 ppm2 8.014 CV 1 ASSI { 368} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HN )) 3.200 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.17992E-02 ppm1 1.135 ppm2 7.709 CV 1 ASSI { 369} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 4.000 2.000 2.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.71152E-03 ppm1 1.387 ppm2 8.243 CV 1 ASSI { 372} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HN )) 3.200 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.16129E-02 ppm1 0.459 ppm2 7.509 CV 1 ASSI { 373} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.17626E-02 ppm1 0.460 ppm2 7.327 CV 1 OR { 373} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HZ )) ASSI { 376} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HD% ) 3.100 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.84123E-03 ppm1 0.359 ppm2 7.104 CV 1 ASSI { 378} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.300 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 0.229 ppm2 7.119 CV 1 ASSI { 381} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.27506E-03 ppm1 0.696 ppm2 8.243 CV 1 ASSI { 382} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD21)) 4.300 2.300 1.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.47074E-03 ppm1 0.886 ppm2 7.333 CV 1 ASSI { 383} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.700 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.54200E-03 ppm1 0.763 ppm2 7.119 CV 1 ASSI { 384} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HE% ) 2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 0.764 ppm2 6.924 CV 1 ASSI { 385} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 385 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 0.762 ppm2 6.759 CV 1 ASSI { 386} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HD% ) 2.900 1.100 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.23229E-02 ppm1 0.694 ppm2 7.312 CV 1 ASSI { 390} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.700 1.700 1.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.53603E-03 ppm1 0.694 ppm2 6.758 CV 1 ASSI { 392} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.000 1.100 1.100 peak 392 spectrum 1 weight 0.10000E+01 volume 0.14706E-02 ppm1 0.360 ppm2 6.921 CV 1 OR { 392} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 394} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.300 1.300 1.300 peak 394 spectrum 1 weight 0.10000E+01 volume 0.17631E-02 ppm1 0.228 ppm2 6.943 CV 1 ASSI { 396} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 35 and name HE% ) 4.000 2.000 2.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.55905E-03 ppm1 1.044 ppm2 6.923 CV 1 ASSI { 398} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HN )) 2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.39259E-02 ppm1 1.135 ppm2 7.299 CV 1 ASSI { 399} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HD% ) 4.600 2.700 1.400 peak 399 spectrum 1 weight 0.10000E+01 volume 0.60902E-03 ppm1 1.132 ppm2 7.119 CV 1 ASSI { 400} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 35 and name HZ )) 3.900 1.900 1.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 1.136 ppm2 6.921 CV 1 OR { 400} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HE% ) ASSI { 401} ( segid " " and resid 82 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.300 1.300 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.79370E-03 ppm1 0.988 ppm2 7.450 CV 1 ASSI { 403} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 30 and name HZ )) 4.400 2.400 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.65670E-03 ppm1 1.043 ppm2 7.332 CV 1 OR { 403} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HD% ) ASSI { 406} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HZ )) 2.900 1.100 1.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.32711E-02 ppm1 1.386 ppm2 7.329 CV 1 OR { 406} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HD% ) ASSI { 407} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.700 0.900 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.37675E-02 ppm1 1.385 ppm2 7.214 CV 1 ASSI { 409} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HA )) 5.300 3.600 0.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27967E-03 ppm1 1.137 ppm2 5.271 CV 1 ASSI { 412} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.300 0.600 0.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.69784E-02 ppm1 1.134 ppm2 4.446 CV 1 ASSI { 413} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.47815E-02 ppm1 1.135 ppm2 4.310 CV 1 ASSI { 415} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.15935E-02 ppm1 1.136 ppm2 3.987 CV 1 ASSI { 416} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 2.400 0.700 0.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.73505E-02 ppm1 1.386 ppm2 4.321 CV 1 ASSI { 418} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.47067E-02 ppm1 1.387 ppm2 3.869 CV 1 ASSI { 419} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) 2.000 0.500 0.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11150E-01 ppm1 0.988 ppm2 4.216 CV 1 ASSI { 420} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.200 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.96527E-02 ppm1 1.047 ppm2 4.214 CV 1 ASSI { 422} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HA )) 2.100 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.85685E-02 ppm1 1.040 ppm2 4.313 CV 1 ASSI { 424} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HA )) 3.400 1.400 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.33950E-03 ppm1 0.990 ppm2 4.905 CV 1 ASSI { 425} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HA )) 4.600 2.700 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.46216E-03 ppm1 0.989 ppm2 4.682 CV 1 ASSI { 426} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.80366E-02 ppm1 0.885 ppm2 4.365 CV 1 ASSI { 429} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 2.300 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.86690E-02 ppm1 0.694 ppm2 4.366 CV 1 ASSI { 435} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 17 and name HB1 )) 4.600 2.700 1.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.36563E-03 ppm1 0.361 ppm2 4.151 CV 1 ASSI { 436} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.36574E-02 ppm1 0.359 ppm2 3.893 CV 1 ASSI { 439} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10475E-02 ppm1 0.226 ppm2 4.268 CV 1 ASSI { 440} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 66 and name HA1 )) 4.900 3.000 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.49171E-03 ppm1 0.229 ppm2 4.131 CV 1 ASSI { 444} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.78732E-03 ppm1 0.359 ppm2 3.587 CV 1 ASSI { 445} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB1 )) 3.600 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.47815E-03 ppm1 0.229 ppm2 3.596 CV 1 ASSI { 452} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.22185E-02 ppm1 0.886 ppm2 4.910 CV 1 ASSI { 453} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HA )) 2.400 0.700 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.75807E-02 ppm1 0.460 ppm2 3.310 CV 1 ASSI { 454} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.42593E-03 ppm1 0.693 ppm2 3.522 CV 1 ASSI { 455} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 0.695 ppm2 3.295 CV 1 ASSI { 456} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HB1 )) 2.600 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.19973E-02 ppm1 0.988 ppm2 3.459 CV 1 ASSI { 457} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB1 )) 3.300 1.300 1.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 0.887 ppm2 3.092 CV 1 ASSI { 458} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HA )) 4.800 2.900 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.27604E-03 ppm1 0.768 ppm2 3.540 CV 1 ASSI { 461} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB1 )) 3.700 1.700 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.34160E-03 ppm1 0.362 ppm2 3.017 CV 1 ASSI { 463} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.900 1.900 1.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.43443E-03 ppm1 0.232 ppm2 3.032 CV 1 ASSI { 465} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB2 )) 3.700 1.700 1.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.50208E-03 ppm1 0.230 ppm2 3.095 CV 1 ASSI { 472} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.19719E-02 ppm1 0.886 ppm2 2.770 CV 1 ASSI { 473} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.11549E-02 ppm1 0.990 ppm2 2.795 CV 1 ASSI { 475} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HD1 )) 4.400 2.500 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.31513E-03 ppm1 1.043 ppm2 3.108 CV 1 ASSI { 479} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HB1 )) 3.900 1.900 1.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.88227E-03 ppm1 1.136 ppm2 2.051 CV 1 ASSI { 482} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HB2 )) 2.600 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.33043E-02 ppm1 1.135 ppm2 1.711 CV 1 ASSI { 483} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.72658E-02 ppm1 1.040 ppm2 2.034 CV 1 ASSI { 486} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HG )) 2.200 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.57482E-02 ppm1 0.988 ppm2 1.839 CV 1 ASSI { 487} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB1 )) 2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.23685E-02 ppm1 0.988 ppm2 2.016 CV 1 ASSI { 488} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HB1 )) 4.300 2.300 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.15655E-02 ppm1 0.887 ppm2 2.012 CV 1 ASSI { 489} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.27236E-02 ppm1 0.764 ppm2 1.984 CV 1 ASSI { 490} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG )) 2.400 0.700 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.53838E-02 ppm1 0.763 ppm2 1.885 CV 1 ASSI { 492} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.32523E-02 ppm1 0.460 ppm2 2.017 CV 1 ASSI { 494} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB1 )) 3.500 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.23021E-02 ppm1 0.460 ppm2 2.236 CV 1 ASSI { 496} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB1 )) 2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.24051E-02 ppm1 0.360 ppm2 1.637 CV 1 ASSI { 498} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB1 )) 2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.26871E-02 ppm1 0.228 ppm2 1.631 CV 1 ASSI { 499} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.27717E-02 ppm1 0.229 ppm2 1.517 CV 1 ASSI { 500} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HG2 )) 3.900 1.900 1.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 0.461 ppm2 1.520 CV 1 ASSI { 501} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.500 0.800 0.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.49191E-02 ppm1 0.694 ppm2 1.580 CV 1 ASSI { 502} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 13 and name HB% ) 4.100 2.100 1.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.77798E-03 ppm1 0.762 ppm2 1.672 CV 1 ASSI { 506} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB2 )) 2.900 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.56528E-02 ppm1 0.988 ppm2 1.566 CV 1 ASSI { 508} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 73 and name HB2 )) 3.600 1.600 1.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.35077E-02 ppm1 1.136 ppm2 2.278 CV 1 ASSI { 509} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG )) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.63465E-02 ppm1 0.887 ppm2 1.713 CV 1 ASSI { 510} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB1 )) 2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.61111E-02 ppm1 0.885 ppm2 1.610 CV 1 ASSI { 511} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.40413E-02 ppm1 0.885 ppm2 1.476 CV 1 ASSI { 512} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.27243E-02 ppm1 0.764 ppm2 1.440 CV 1 ASSI { 513} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) 3.000 1.200 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.26092E-02 ppm1 0.693 ppm2 1.447 CV 1 ASSI { 514} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.700 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.52776E-02 ppm1 0.693 ppm2 1.261 CV 1 ASSI { 518} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 14 and name HD2%) 2.400 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.79294E-02 ppm1 0.761 ppm2 0.884 CV 1 ASSI { 519} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.60994E-02 ppm1 0.460 ppm2 1.193 CV 1 ASSI { 520} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 10 and name HD2%) 2.600 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.56961E-02 ppm1 0.460 ppm2 1.144 CV 1 ASSI { 521} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.41344E-02 ppm1 0.460 ppm2 1.036 CV 1 ASSI { 522} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 75 and name HD2%) 2.600 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.47490E-02 ppm1 0.460 ppm2 0.885 CV 1 ASSI { 523} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 31 and name HD2%) 2.200 0.600 0.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.12817E-01 ppm1 0.460 ppm2 0.789 CV 1 ASSI { 524} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.47973E-02 ppm1 0.359 ppm2 1.349 CV 1 ASSI { 526} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 74 and name HD2%) 3.200 1.300 1.300 peak 526 spectrum 1 weight 0.10000E+01 volume 0.11023E-02 ppm1 0.360 ppm2 1.087 CV 1 OR { 526} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 74 and name HD1%) ASSI { 528} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 7 and name HG2%) 2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.36057E-02 ppm1 0.461 ppm2 1.390 CV 1 ASSI { 529} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.50272E-02 ppm1 0.227 ppm2 1.355 CV 1 ASSI { 531} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 68 and name HG1%) 4.400 2.400 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.99988E-03 ppm1 0.226 ppm2 1.110 CV 1 ASSI { 539} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 45 and name HD2%) 3.500 1.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.65409E-03 ppm1 0.764 ppm2 0.351 CV 1 ASSI { 542} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD2%) 4.000 2.000 2.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.10537E-02 ppm1 1.135 ppm2 0.361 CV 1 ASSI { 550} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 45 and name HD1%) 3.700 1.700 1.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.16917E-02 ppm1 0.760 ppm2 0.230 CV 1 ASSI { 555} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB2 )) 3.000 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.24955E-02 ppm1 0.647 ppm2 1.376 CV 1 ASSI { 556} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.600 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.28918E-02 ppm1 0.609 ppm2 1.362 CV 1 ASSI { 557} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD1%) 2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.49930E-02 ppm1 0.647 ppm2 1.007 CV 1 OR { 557} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD2%) ASSI { 564} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 7 and name HG2%) 3.000 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.23857E-02 ppm1 0.781 ppm2 1.382 CV 1 ASSI { 570} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 5 and name HD1%) 2.700 0.900 0.900 peak 570 spectrum 1 weight 0.10000E+01 volume 0.24690E-02 ppm1 0.796 ppm2 0.608 CV 1 ASSI { 571} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 10 and name HD2%) 2.700 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.36377E-02 ppm1 0.796 ppm2 1.143 CV 1 ASSI { 573} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HG )) 2.800 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.20347E-02 ppm1 0.794 ppm2 1.687 CV 1 ASSI { 577} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HG )) 2.300 0.600 0.600 peak 577 spectrum 1 weight 0.10000E+01 volume 0.88548E-02 ppm1 0.609 ppm2 1.573 CV 1 OR { 577} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB1 )) ASSI { 578} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HB )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.16960E-02 ppm1 0.611 ppm2 1.941 CV 1 ASSI { 580} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB1 )) 4.200 2.200 1.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.75144E-03 ppm1 0.800 ppm2 2.211 CV 1 ASSI { 583} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB2 )) 3.300 1.400 1.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.18643E-02 ppm1 0.649 ppm2 2.704 CV 1 ASSI { 584} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 0.612 ppm2 2.700 CV 1 ASSI { 585} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HA )) 3.800 1.800 1.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.58416E-03 ppm1 0.781 ppm2 3.611 CV 1 ASSI { 586} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HA )) 3.600 1.700 1.700 peak 586 spectrum 1 weight 0.10000E+01 volume 0.92418E-03 ppm1 0.781 ppm2 3.307 CV 1 ASSI { 588} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HA )) 2.300 0.600 0.600 peak 588 spectrum 1 weight 0.10000E+01 volume 0.66813E-02 ppm1 0.797 ppm2 3.889 CV 1 ASSI { 589} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.37146E-02 ppm1 1.065 ppm2 4.276 CV 1 ASSI { 593} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HB1 )) 2.700 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.29340E-02 ppm1 1.064 ppm2 1.878 CV 1 ASSI { 594} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) 2.900 1.100 1.100 peak 594 spectrum 1 weight 0.10000E+01 volume 0.29383E-02 ppm1 1.012 ppm2 1.878 CV 1 ASSI { 595} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB2 )) 2.800 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.33759E-02 ppm1 1.014 ppm2 1.846 CV 1 OR { 595} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) ASSI { 596} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HG )) 2.600 0.800 0.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.38244E-02 ppm1 1.011 ppm2 1.739 CV 1 ASSI { 597} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HG )) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.28150E-02 ppm1 1.065 ppm2 1.736 CV 1 ASSI { 598} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 79 and name HB2 )) 4.200 2.200 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.90473E-03 ppm1 0.958 ppm2 2.771 CV 1 ASSI { 599} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H28A)) 4.200 2.200 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.36959E-03 ppm1 1.068 ppm2 3.465 CV 1 ASSI { 600} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name H28A)) 4.300 2.300 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.57865E-03 ppm1 1.016 ppm2 3.469 CV 1 ASSI { 601} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H28B)) 4.200 2.200 1.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.34291E-03 ppm1 1.065 ppm2 3.921 CV 1 ASSI { 602} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name H28B)) 4.300 2.300 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.59105E-03 ppm1 1.013 ppm2 3.920 CV 1 ASSI { 615} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.800 1.800 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.71183E-03 ppm1 0.650 ppm2 7.442 CV 1 ASSI { 616} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HD% ) 4.100 2.100 1.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.76374E-03 ppm1 0.610 ppm2 7.443 CV 1 ASSI { 617} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 79 and name HD21)) 5.100 3.200 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.31478E-03 ppm1 0.647 ppm2 7.330 CV 1 ASSI { 618} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 79 and name HD21)) 4.800 2.900 1.200 peak 618 spectrum 1 weight 0.10000E+01 volume 0.29440E-03 ppm1 0.602 ppm2 7.329 CV 1 ASSI { 619} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HE% ) 3.100 1.200 1.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 0.649 ppm2 6.814 CV 1 ASSI { 620} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HE% ) 4.100 2.100 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.88901E-03 ppm1 0.609 ppm2 6.814 CV 1 ASSI { 622} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH22)) 3.500 1.600 1.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 0.781 ppm2 6.898 CV 1 OR { 622} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH21)) OR { 622} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH11)) OR { 622} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH12)) ASSI { 627} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HN )) 3.900 1.900 1.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.44362E-03 ppm1 0.608 ppm2 8.069 CV 1 ASSI { 632} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HN )) 4.100 2.100 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.82494E-03 ppm1 1.064 ppm2 7.781 CV 1 ASSI { 633} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HN )) 4.700 2.700 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.62153E-03 ppm1 1.010 ppm2 7.781 CV 1 ASSI { 634} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 44 and name HN )) 5.000 3.200 1.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.39451E-03 ppm1 1.069 ppm2 8.151 CV 1 ASSI { 635} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 44 and name HN )) 3.300 1.400 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.36529E-03 ppm1 1.013 ppm2 8.149 CV 1 ASSI { 638} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14767E-02 ppm1 0.647 ppm2 9.035 CV 1 ASSI { 639} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 6 and name HN )) 4.000 2.000 2.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.57181E-03 ppm1 0.613 ppm2 9.036 CV 1 ASSI { 641} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HN )) 4.500 2.500 1.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.41222E-03 ppm1 0.610 ppm2 9.426 CV 1 ASSI { 642} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HN )) 4.100 2.100 1.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.69810E-03 ppm1 0.795 ppm2 9.428 CV 1 ASSI { 643} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.30731E-02 ppm1 2.043 ppm2 8.414 CV 1 ASSI { 647} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HN )) 3.200 1.200 1.200 peak 647 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 0.984 ppm2 9.429 CV 1 ASSI { 648} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 648 spectrum 1 weight 0.10000E+01 volume 0.21568E-02 ppm1 2.181 ppm2 7.308 CV 1 ASSI { 651} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.900 1.100 1.100 peak 651 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 0.896 ppm2 7.217 CV 1 ASSI { 652} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HN )) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.13741E-02 ppm1 0.802 ppm2 8.460 CV 1 ASSI { 653} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HD% ) 2.900 1.000 1.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.97808E-03 ppm1 1.306 ppm2 7.312 CV 1 ASSI { 655} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HE% ) 4.400 2.400 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.94934E-03 ppm1 1.310 ppm2 6.915 CV 1 OR { 655} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 35 and name HZ )) ASSI { 657} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HE% ) 3.400 1.500 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.63281E-03 ppm1 2.184 ppm2 6.918 CV 1 OR { 657} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 35 and name HZ )) ASSI { 658} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HN )) 4.300 2.300 1.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.96802E-03 ppm1 0.983 ppm2 8.275 CV 1 ASSI { 659} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HN )) 4.800 2.900 1.200 peak 659 spectrum 1 weight 0.10000E+01 volume 0.47615E-03 ppm1 0.981 ppm2 7.717 CV 1 ASSI { 660} (( segid " " and resid 74 and name HG )) (( segid " " and resid 35 and name HZ )) 3.300 1.400 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.22809E-02 ppm1 0.982 ppm2 6.891 CV 1 ASSI { 661} ( segid " " and resid 82 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.500 1.500 1.500 peak 661 spectrum 1 weight 0.10000E+01 volume 0.61183E-03 ppm1 0.984 ppm2 7.444 CV 1 ASSI { 662} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.200 1.300 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 0.896 ppm2 6.915 CV 1 OR { 662} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 664} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HN )) 3.400 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.19441E-02 ppm1 0.892 ppm2 8.408 CV 1 ASSI { 665} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.24141E-02 ppm1 0.868 ppm2 8.413 CV 1 ASSI { 667} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HN )) 4.500 2.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.66405E-03 ppm1 0.867 ppm2 8.980 CV 1 ASSI { 671} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HA )) 3.500 1.600 1.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 1.694 ppm2 3.892 CV 1 ASSI { 673} (( segid " " and resid 75 and name HG )) (( segid " " and resid 76 and name HA )) 3.900 1.900 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.36917E-03 ppm1 1.692 ppm2 4.480 CV 1 ASSI { 675} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 34 and name HN )) 4.800 2.900 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.31611E-03 ppm1 1.064 ppm2 8.475 CV 1 ASSI { 676} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HN )) 4.300 2.300 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.10607E-02 ppm1 1.062 ppm2 7.209 CV 1 ASSI { 677} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HD% ) 3.300 3.300 2.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.42967E-03 ppm1 0.803 ppm2 6.965 CV 1 ASSI { 678} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.59488E-03 ppm1 0.803 ppm2 6.756 CV 1 ASSI { 682} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 70 and name HA )) 6.000 4.600 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.22270E-03 ppm1 1.312 ppm2 4.966 CV 1 ASSI { 683} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.25392E-02 ppm1 0.985 ppm2 4.911 CV 1 ASSI { 685} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 4 and name HA )) 2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.31012E-02 ppm1 0.984 ppm2 4.362 CV 1 ASSI { 689} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HA )) 3.900 1.900 1.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 0.870 ppm2 4.314 CV 1 ASSI { 690} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 0.871 ppm2 4.218 CV 1 ASSI { 691} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 3.500 1.500 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 0.802 ppm2 4.369 CV 1 ASSI { 692} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 15 and name HA )) 3.100 3.100 2.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.61729E-03 ppm1 0.804 ppm2 3.939 CV 1 ASSI { 693} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.18004E-02 ppm1 0.897 ppm2 3.523 CV 1 ASSI { 696} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 56 and name HB1 )) 5.800 4.200 0.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10080E-03 ppm1 0.993 ppm2 3.433 CV 1 ASSI { 697} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HB1 )) 4.200 2.200 1.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.55548E-03 ppm1 0.987 ppm2 3.457 CV 1 ASSI { 698} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.500 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.18078E-02 ppm1 1.064 ppm2 3.293 CV 1 ASSI { 700} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HA )) 3.400 1.500 1.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11153E-02 ppm1 2.043 ppm2 4.308 CV 1 ASSI { 702} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD1 )) 2.500 0.800 0.800 peak 702 spectrum 1 weight 0.10000E+01 volume 0.18451E-02 ppm1 2.181 ppm2 4.029 CV 1 ASSI { 703} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 703 spectrum 1 weight 0.10000E+01 volume 0.85399E-03 ppm1 2.184 ppm2 4.236 CV 1 ASSI { 704} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HA )) 4.400 2.400 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.10511E-02 ppm1 2.178 ppm2 3.304 CV 1 ASSI { 705} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.14859E-02 ppm1 1.064 ppm2 3.016 CV 1 ASSI { 707} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD2 )) 2.600 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.17347E-02 ppm1 1.314 ppm2 2.806 CV 1 ASSI { 708} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 31 and name HA )) 3.300 1.400 1.400 peak 708 spectrum 1 weight 0.10000E+01 volume 0.67880E-03 ppm1 1.306 ppm2 3.309 CV 1 ASSI { 709} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HG1 )) 1.800 0.400 0.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.62163E-02 ppm1 1.312 ppm2 2.186 CV 1 ASSI { 710} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 1.308 ppm2 2.011 CV 1 ASSI { 711} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HB1 )) 2.600 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.24222E-02 ppm1 1.694 ppm2 2.198 CV 1 ASSI { 715} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.16655E-02 ppm1 2.043 ppm2 1.457 CV 1 ASSI { 716} (( segid " " and resid 52 and name HG )) ( segid " " and resid 13 and name HB% ) 3.200 1.300 1.300 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13712E-02 ppm1 2.043 ppm2 1.671 CV 1 ASSI { 720} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD1%) 2.100 0.500 0.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.10488E-01 ppm1 2.043 ppm2 0.868 CV 1 ASSI { 721} (( segid " " and resid 75 and name HG )) ( segid " " and resid 75 and name HD2%) 2.000 0.500 0.500 peak 721 spectrum 1 weight 0.10000E+01 volume 0.16933E-01 ppm1 1.693 ppm2 0.877 CV 1 ASSI { 722} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.18836E-02 ppm1 1.585 ppm2 1.249 CV 1 ASSI { 724} (( segid " " and resid 26 and name HG )) ( segid " " and resid 26 and name HD2%) 2.300 0.700 0.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.69631E-02 ppm1 1.585 ppm2 0.802 CV 1 ASSI { 727} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 727 spectrum 1 weight 0.10000E+01 volume 0.26899E-02 ppm1 1.063 ppm2 1.414 CV 1 ASSI { 728} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HG )) 2.300 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.67456E-02 ppm1 1.062 ppm2 1.780 CV 1 OR { 728} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB1 )) ASSI { 731} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HG )) 2.400 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.39536E-02 ppm1 0.983 ppm2 1.843 CV 1 ASSI { 733} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.37895E-02 ppm1 0.985 ppm2 2.015 CV 1 ASSI { 737} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 2.700 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.57926E-02 ppm1 0.803 ppm2 1.452 CV 1 ASSI { 738} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 2.900 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 0.799 ppm2 1.229 CV 1 ASSI { 741} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.40675E-02 ppm1 0.896 ppm2 1.990 CV 1 ASSI { 742} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HG )) 2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.99150E-02 ppm1 0.896 ppm2 1.887 CV 1 ASSI { 743} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HB2 )) 2.900 1.000 1.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.26798E-02 ppm1 0.896 ppm2 1.444 CV 1 ASSI { 749} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.50912E-02 ppm1 0.871 ppm2 1.455 CV 1 ASSI { 750} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 7 and name HG2%) 2.800 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.33835E-02 ppm1 0.875 ppm2 1.398 CV 1 ASSI { 751} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 2.185 ppm2 2.002 CV 1 ASSI { 755} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD2%) 3.300 1.400 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.81678E-03 ppm1 0.980 ppm2 0.363 CV 1 ASSI { 756} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD1%) 2.800 2.800 3.200 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 0.981 ppm2 0.225 CV 1 ASSI { 760} (( segid " " and resid 52 and name HG )) ( segid " " and resid 48 and name HG2%) 3.000 1.200 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.14201E-02 ppm1 2.041 ppm2 1.137 CV 1 ASSI { 763} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD1%) 3.000 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.12341E-02 ppm1 1.570 ppm2 0.615 CV 1 ASSI { 764} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HG2 )) 1.800 0.400 0.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10008E-01 ppm1 1.405 ppm2 1.165 CV 1 ASSI { 769} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG2%) 3.400 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.23218E-02 ppm1 2.144 ppm2 1.027 CV 1 OR { 769} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) ASSI { 772} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HG1 )) 1.800 0.400 0.400 peak 772 spectrum 1 weight 0.10000E+01 volume 0.96021E-02 ppm1 0.991 ppm2 1.368 CV 1 ASSI { 777} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HG12)) 1.700 0.300 0.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11920E-01 ppm1 1.482 ppm2 1.117 CV 1 ASSI { 778} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 60 and name HG2%) 3.500 1.600 1.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 1.482 ppm2 1.025 CV 1 ASSI { 780} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.34069E-02 ppm1 1.202 ppm2 1.031 CV 1 ASSI { 786} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 33 and name HD1%) 4.100 2.100 1.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.96037E-03 ppm1 1.835 ppm2 0.983 CV 1 ASSI { 788} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HG2%) 3.400 1.500 1.500 peak 788 spectrum 1 weight 0.10000E+01 volume 0.22895E-02 ppm1 1.833 ppm2 1.062 CV 1 ASSI { 789} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD1%) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.47196E-02 ppm1 1.858 ppm2 0.984 CV 1 OR { 789} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD2%) ASSI { 791} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HG2 )) 1.900 0.500 0.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.60744E-02 ppm1 1.658 ppm2 1.516 CV 1 ASSI { 792} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HB2 )) 2.100 0.600 0.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.89156E-02 ppm1 1.713 ppm2 1.488 CV 1 ASSI { 793} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HB2 )) 2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.58130E-02 ppm1 1.563 ppm2 1.365 CV 1 ASSI { 794} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HB1 )) 2.600 0.800 0.800 peak 794 spectrum 1 weight 0.10000E+01 volume 0.83602E-02 ppm1 1.715 ppm2 1.604 CV 1 ASSI { 803} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HG11)) 1.600 0.300 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.91499E-02 ppm1 1.545 ppm2 1.832 CV 1 ASSI { 804} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB1 )) 2.800 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.23870E-02 ppm1 1.406 ppm2 2.049 CV 1 OR { 804} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB2 )) ASSI { 807} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HG )) 2.300 0.600 0.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.74011E-02 ppm1 1.131 ppm2 1.890 CV 1 ASSI { 808} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB1 )) 2.600 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 1.130 ppm2 2.337 CV 1 ASSI { 809} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB1 )) 2.500 0.800 0.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.31119E-02 ppm1 1.130 ppm2 2.239 CV 1 ASSI { 810} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.29654E-02 ppm1 1.166 ppm2 2.045 CV 1 OR { 810} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) ASSI { 811} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HB2 )) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.21759E-02 ppm1 0.989 ppm2 1.625 CV 1 ASSI { 813} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB1 )) 2.500 0.800 0.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.46255E-02 ppm1 1.751 ppm2 2.078 CV 1 OR { 813} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB1 )) ASSI { 816} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HB1 )) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.49731E-02 ppm1 2.152 ppm2 2.544 CV 1 OR { 816} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB1 )) ASSI { 817} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD2 )) 2.700 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.29126E-02 ppm1 1.407 ppm2 3.206 CV 1 OR { 817} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD1 )) ASSI { 818} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD1 )) 3.000 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.18896E-02 ppm1 1.364 ppm2 3.094 CV 1 ASSI { 821} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD2 )) 2.900 1.000 1.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.15427E-02 ppm1 1.519 ppm2 3.019 CV 1 ASSI { 822} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HB )) 3.300 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11687E-02 ppm1 1.544 ppm2 2.457 CV 1 ASSI { 823} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD1 )) 2.600 0.800 0.800 peak 823 spectrum 1 weight 0.10000E+01 volume 0.42945E-02 ppm1 1.754 ppm2 3.272 CV 1 OR { 823} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD2 )) OR { 823} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD1 )) OR { 823} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) ASSI { 824} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HA )) 3.000 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.13627E-02 ppm1 1.659 ppm2 3.610 CV 1 ASSI { 825} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HA )) 3.400 1.500 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 1.513 ppm2 3.608 CV 1 ASSI { 828} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14051E-02 ppm1 1.408 ppm2 3.528 CV 1 ASSI { 833} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD1 )) 2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.30421E-02 ppm1 1.166 ppm2 3.205 CV 1 OR { 833} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 838} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 72 and name HA )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.40920E-03 ppm1 1.130 ppm2 3.615 CV 1 ASSI { 842} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD2 )) 2.400 0.700 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.46022E-02 ppm1 2.142 ppm2 3.575 CV 1 OR { 842} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD2 )) ASSI { 843} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 60 and name HA )) 4.800 2.900 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.88222E-03 ppm1 2.153 ppm2 4.660 CV 1 OR { 843} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HA )) ASSI { 844} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HA )) 3.400 1.400 1.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.16336E-02 ppm1 2.150 ppm2 4.534 CV 1 OR { 844} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HA )) ASSI { 849} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 849 spectrum 1 weight 0.10000E+01 volume 0.19787E-02 ppm1 1.715 ppm2 4.359 CV 1 ASSI { 853} (( segid " " and resid 33 and name HG )) (( segid " " and resid 30 and name HA )) 3.000 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.94271E-03 ppm1 1.781 ppm2 4.748 CV 1 ASSI { 854} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HA )) 3.600 1.600 1.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 1.564 ppm2 4.532 CV 1 ASSI { 855} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HA )) 4.100 2.100 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.59202E-03 ppm1 1.539 ppm2 4.669 CV 1 ASSI { 860} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.15248E-02 ppm1 1.114 ppm2 4.663 CV 1 ASSI { 861} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 30 and name HZ )) 3.100 1.200 1.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.18054E-02 ppm1 1.130 ppm2 7.335 CV 1 OR { 861} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HD% ) ASSI { 862} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.900 1.000 1.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.24089E-02 ppm1 1.129 ppm2 7.215 CV 1 ASSI { 863} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.400 2.400 1.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.61254E-03 ppm1 1.130 ppm2 6.893 CV 1 ASSI { 864} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HN )) 2.900 1.100 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.33355E-02 ppm1 1.202 ppm2 7.510 CV 1 ASSI { 866} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 40 and name HD% ) 4.500 2.600 1.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.90417E-03 ppm1 1.536 ppm2 6.971 CV 1 ASSI { 869} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HN )) 2.600 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.25132E-02 ppm1 1.783 ppm2 7.208 CV 1 ASSI { 875} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.600 0.800 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.39560E-02 ppm1 1.717 ppm2 8.150 CV 1 ASSI { 876} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HN )) 3.700 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 1.826 ppm2 8.012 CV 1 ASSI { 878} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HN )) 4.300 2.300 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 1.364 ppm2 8.088 CV 1 ASSI { 879} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HN )) 4.600 2.700 1.400 peak 879 spectrum 1 weight 0.10000E+01 volume 0.78538E-03 ppm1 1.131 ppm2 8.068 CV 1 ASSI { 880} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HN )) 3.800 1.800 1.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 1.115 ppm2 8.143 CV 1 ASSI { 881} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HN )) 4.500 2.600 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.66369E-03 ppm1 0.994 ppm2 8.090 CV 1 ASSI { 882} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HN )) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.22970E-02 ppm1 1.352 ppm2 8.466 CV 1 ASSI { 885} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 2.600 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.16057E-02 ppm1 1.563 ppm2 9.431 CV 1 ASSI { 886} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 11 and name HN )) 4.400 2.400 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.68258E-03 ppm1 1.129 ppm2 8.842 CV 1 ASSI { 887} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HN )) 3.400 1.400 1.400 peak 887 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 1.129 ppm2 8.729 CV 1 ASSI { 893} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 1.981 ppm2 8.115 CV 1 ASSI { 899} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.33711E-02 ppm1 2.347 ppm2 8.515 CV 1 ASSI { 906} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HE )) 3.900 1.900 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.49126E-03 ppm1 1.621 ppm2 7.999 CV 1 ASSI { 910} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HD2 )) 3.200 1.300 1.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.13697E-02 ppm1 1.630 ppm2 3.350 CV 1 ASSI { 911} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD2 )) 2.800 1.000 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.24995E-02 ppm1 1.701 ppm2 3.334 CV 1 ASSI { 915} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.14921E-02 ppm1 1.982 ppm2 4.244 CV 1 ASSI { 919} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.27772E-02 ppm1 2.206 ppm2 4.233 CV 1 ASSI { 926} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.700 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.24165E-02 ppm1 2.362 ppm2 2.763 CV 1 ASSI { 929} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG1 )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 2.207 ppm2 2.611 CV 1 ASSI { 930} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 2.400 0.700 0.700 peak 930 spectrum 1 weight 0.10000E+01 volume 0.80846E-02 ppm1 2.137 ppm2 2.500 CV 1 OR { 930} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG1 )) ASSI { 931} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG2 )) 2.700 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.36840E-02 ppm1 2.207 ppm2 2.467 CV 1 ASSI { 934} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HB1 )) 2.700 0.900 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.44679E-02 ppm1 1.971 ppm2 2.196 CV 1 ASSI { 935} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HG2 )) 1.800 0.400 0.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.97818E-02 ppm1 1.981 ppm2 1.739 CV 1 ASSI { 936} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HG2 )) 1.700 0.400 0.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.11006E-01 ppm1 1.921 ppm2 1.695 CV 1 ASSI { 937} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) 2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 1.733 ppm2 2.197 CV 1 ASSI { 938} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) 3.100 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.20983E-02 ppm1 1.629 ppm2 2.173 CV 1 ASSI { 940} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HG1 )) 1.900 0.400 0.400 peak 940 spectrum 1 weight 0.10000E+01 volume 0.73087E-02 ppm1 1.626 ppm2 1.945 CV 1 ASSI { 942} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 3.000 1.200 1.200 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21852E-02 ppm1 1.289 ppm2 1.938 CV 1 ASSI { 950} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 4.900 2.900 1.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 1.873 ppm2 1.031 CV 1 ASSI { 951} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD2%) 5.000 3.100 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.35977E-03 ppm1 1.873 ppm2 0.778 CV 1 ASSI { 952} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD1%) 5.000 3.200 1.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.35743E-03 ppm1 1.871 ppm2 0.448 CV 1 ASSI { 953} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 31 and name HD1%) 4.300 2.400 1.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.32880E-03 ppm1 1.612 ppm2 0.455 CV 1 ASSI { 956} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG1%) 3.100 1.200 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.93888E-03 ppm1 2.475 ppm2 1.132 CV 1 ASSI { 962} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 1.900 0.400 0.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.62510E-02 ppm1 1.861 ppm2 2.177 CV 1 ASSI { 965} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG1 )) 2.900 1.000 1.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.24874E-02 ppm1 2.127 ppm2 2.539 CV 1 ASSI { 966} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG2 )) 2.800 1.000 1.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.38750E-02 ppm1 2.129 ppm2 2.468 CV 1 ASSI { 967} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG1 )) 2.400 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.83219E-02 ppm1 2.076 ppm2 2.410 CV 1 OR { 967} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) ASSI { 968} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HG1 )) 2.700 0.900 0.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.27083E-02 ppm1 2.475 ppm2 2.638 CV 1 ASSI { 969} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.800 0.400 0.400 peak 969 spectrum 1 weight 0.10000E+01 volume 0.72581E-02 ppm1 2.474 ppm2 2.278 CV 1 ASSI { 974} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HB1 )) 1.600 0.300 0.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.23405E-01 ppm1 2.076 ppm2 2.233 CV 1 ASSI { 975} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG1 )) 2.600 0.900 0.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 2.148 ppm2 2.621 CV 1 ASSI { 976} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG2 )) 2.600 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.60264E-02 ppm1 2.146 ppm2 2.393 CV 1 ASSI { 978} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HB2 )) 1.800 0.400 0.400 peak 978 spectrum 1 weight 0.10000E+01 volume 0.90029E-02 ppm1 2.197 ppm2 2.028 CV 1 ASSI { 985} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.88385E-03 ppm1 1.604 ppm2 3.610 CV 1 ASSI { 987} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD1 )) 3.800 1.800 1.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.76920E-03 ppm1 1.605 ppm2 3.495 CV 1 ASSI { 991} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 991 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 2.200 ppm2 4.243 CV 1 ASSI { 996} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) 2.900 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.44786E-02 ppm1 2.146 ppm2 4.208 CV 1 ASSI { 997} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 9 and name HA )) 3.100 1.200 1.200 peak 997 spectrum 1 weight 0.10000E+01 volume 0.18477E-02 ppm1 2.031 ppm2 4.566 CV 1 OR { 997} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 999} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.300 1.300 1.300 peak 999 spectrum 1 weight 0.10000E+01 volume 0.18268E-02 ppm1 2.474 ppm2 4.242 CV 1 ASSI { 1000} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HN )) 3.200 1.200 1.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.21707E-02 ppm1 2.279 ppm2 7.748 CV 1 ASSI { 1003} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 3.000 1.200 1.200 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.82612E-03 ppm1 2.469 ppm2 7.718 CV 1 ASSI { 1006} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.200 1.300 1.300 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 2.047 ppm2 7.219 CV 1 OR { 1006} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 30 and name HE% ) ASSI { 1007} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 13 and name HN )) 2.800 1.000 1.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.28362E-02 ppm1 2.030 ppm2 7.708 CV 1 OR { 1007} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HN )) ASSI { 1010} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 2.035 ppm2 8.111 CV 1 ASSI { 1018} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.22797E-02 ppm1 2.262 ppm2 8.222 CV 1 ASSI { 1019} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.28718E-02 ppm1 2.146 ppm2 8.219 CV 1 ASSI { 1021} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) 2.900 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 2.202 ppm2 8.413 CV 1 ASSI { 1023} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.12866E-02 ppm1 2.238 ppm2 8.482 CV 1 ASSI { 1024} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HE )) 3.300 1.300 1.300 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.48591E-03 ppm1 1.612 ppm2 9.074 CV 1 ASSI { 1027} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HN )) 3.900 1.900 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.53205E-03 ppm1 2.478 ppm2 9.099 CV 1 ASSI { 1028} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 69 and name HN )) 4.000 2.000 2.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.62051E-03 ppm1 2.280 ppm2 9.088 CV 1 ASSI { 1029} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.500 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.47185E-03 ppm1 2.187 ppm2 9.551 CV 1 ASSI { 1030} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.600 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.40827E-02 ppm1 1.618 ppm2 8.090 CV 1 ASSI { 1031} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) 2.400 0.700 0.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.36228E-02 ppm1 1.900 ppm2 8.085 CV 1 ASSI { 1035} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.14426E-02 ppm1 1.603 ppm2 8.998 CV 1 ASSI { 1036} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HD% ) 3.100 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.62975E-03 ppm1 1.897 ppm2 7.443 CV 1 ASSI { 1037} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.500 2.600 1.500 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.95113E-03 ppm1 1.620 ppm2 7.443 CV 1 ASSI { 1039} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.94459E-03 ppm1 1.901 ppm2 4.310 CV 1 ASSI { 1041} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 3.700 1.700 1.700 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.70519E-03 ppm1 1.620 ppm2 4.325 CV 1 ASSI { 1042} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) 2.900 1.100 1.100 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 1.895 ppm2 3.021 CV 1 ASSI { 1044} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) 2.900 1.100 1.100 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.19925E-02 ppm1 2.047 ppm2 3.214 CV 1 OR { 1044} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD1 )) OR { 1044} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) OR { 1044} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1046} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG1 )) 2.900 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.38993E-02 ppm1 1.898 ppm2 1.371 CV 1 ASSI { 1047} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG1 )) 2.300 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.44365E-02 ppm1 1.617 ppm2 1.371 CV 1 ASSI { 1052} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) 4.100 2.100 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.56359E-03 ppm1 2.767 ppm2 1.081 CV 1 ASSI { 1053} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 4.100 2.100 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.50629E-03 ppm1 2.852 ppm2 1.073 CV 1 ASSI { 1054} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 4.500 2.600 1.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.34590E-03 ppm1 2.852 ppm2 0.959 CV 1 ASSI { 1055} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 4.900 3.000 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.27169E-03 ppm1 2.759 ppm2 0.966 CV 1 ASSI { 1056} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG2%) 4.400 2.400 1.600 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.15394E-02 ppm1 2.544 ppm2 1.027 CV 1 ASSI { 1059} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG2%) 2.400 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.67921E-02 ppm1 2.277 ppm2 1.114 CV 1 ASSI { 1061} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HB2 )) 1.700 0.400 0.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.14367E-01 ppm1 2.082 ppm2 1.861 CV 1 ASSI { 1063} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) 2.300 0.700 0.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.82882E-02 ppm1 1.861 ppm2 1.752 CV 1 OR { 1063} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 1064} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG2%) 2.700 0.900 0.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 2.058 ppm2 1.028 CV 1 ASSI { 1066} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 10 and name HD2%) 3.600 1.600 1.600 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.11100E-02 ppm1 2.016 ppm2 1.127 CV 1 ASSI { 1069} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 2.252 ppm2 1.312 CV 1 ASSI { 1070} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HB1 )) 5.100 3.300 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.32246E-03 ppm1 2.841 ppm2 1.648 CV 1 ASSI { 1071} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HB1 )) 5.700 4.100 0.300 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.27393E-03 ppm1 2.764 ppm2 1.647 CV 1 ASSI { 1076} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 65 and name HB% ) 3.400 1.400 1.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.42799E-03 ppm1 2.768 ppm2 1.378 CV 1 ASSI { 1077} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HB2 )) 1.600 0.300 0.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.16953E-01 ppm1 2.544 ppm2 2.070 CV 1 ASSI { 1081} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 1.900 0.400 0.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.59259E-02 ppm1 2.252 ppm2 2.014 CV 1 ASSI { 1083} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) 3.100 1.200 1.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.16034E-02 ppm1 1.862 ppm2 3.270 CV 1 OR { 1083} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) ASSI { 1085} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 73 and name HG2 )) 4.700 2.700 1.300 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.16733E-03 ppm1 2.074 ppm2 2.535 CV 1 ASSI { 1088} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 31 and name HA )) 2.300 0.700 0.700 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.35410E-02 ppm1 2.017 ppm2 3.311 CV 1 ASSI { 1089} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) 3.100 1.200 1.200 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 2.081 ppm2 3.273 CV 1 OR { 1089} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1090} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.800 1.900 1.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.23144E-02 ppm1 2.254 ppm2 3.308 CV 1 ASSI { 1093} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) 2.800 1.000 1.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.53710E-02 ppm1 2.304 ppm2 2.762 CV 1 ASSI { 1094} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB2 )) 2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.64970E-02 ppm1 2.850 ppm2 2.324 CV 1 OR { 1094} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB1 )) ASSI { 1095} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB1 )) 2.400 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.63148E-02 ppm1 2.762 ppm2 2.324 CV 1 OR { 1095} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB2 )) ASSI { 1096} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 64 and name HB )) 4.000 2.000 2.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.10410E-02 ppm1 2.760 ppm2 2.197 CV 1 ASSI { 1098} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD2 )) 4.100 2.100 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.12025E-02 ppm1 2.546 ppm2 3.579 CV 1 ASSI { 1099} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD2 )) 3.400 1.400 1.400 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 2.213 ppm2 3.576 CV 1 ASSI { 1101} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 3.200 1.300 1.300 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 2.059 ppm2 3.581 CV 1 ASSI { 1102} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD1 )) 4.100 2.100 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.11720E-02 ppm1 2.060 ppm2 4.014 CV 1 ASSI { 1104} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) 3.800 1.800 1.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.41580E-03 ppm1 2.080 ppm2 3.826 CV 1 ASSI { 1107} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.21421E-02 ppm1 1.864 ppm2 4.626 CV 1 ASSI { 1110} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.32464E-02 ppm1 2.278 ppm2 4.035 CV 1 ASSI { 1112} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.35866E-02 ppm1 2.212 ppm2 3.824 CV 1 ASSI { 1116} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD1 )) 4.300 2.300 1.700 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.10280E-02 ppm1 2.546 ppm2 4.010 CV 1 ASSI { 1119} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HA1 )) 4.500 2.500 1.500 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.24603E-03 ppm1 2.764 ppm2 4.141 CV 1 ASSI { 1120} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA1 )) 4.300 2.300 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.25033E-03 ppm1 2.853 ppm2 4.120 CV 1 ASSI { 1123} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HD% ) 3.400 1.500 1.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 2.255 ppm2 7.315 CV 1 OR { 1123} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 1124} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HE% ) 2.900 1.000 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.12640E-02 ppm1 2.254 ppm2 7.214 CV 1 ASSI { 1125} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 35 and name HE% ) 4.500 2.600 1.500 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.39089E-03 ppm1 2.255 ppm2 6.903 CV 1 OR { 1125} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 35 and name HZ )) ASSI { 1126} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.59156E-02 ppm1 2.211 ppm2 7.405 CV 1 ASSI { 1127} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.67650E-03 ppm1 2.018 ppm2 7.313 CV 1 ASSI { 1128} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.800 1.800 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.82954E-03 ppm1 2.012 ppm2 7.212 CV 1 ASSI { 1133} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.54710E-02 ppm1 2.277 ppm2 8.455 CV 1 ASSI { 1134} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 4.600 2.700 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.46702E-03 ppm1 2.850 ppm2 8.509 CV 1 ASSI { 1135} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 5.100 3.200 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.44154E-03 ppm1 2.759 ppm2 8.508 CV 1 ASSI { 1136} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.24080E-02 ppm1 2.851 ppm2 8.235 CV 1 ASSI { 1138} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.77124E-03 ppm1 2.548 ppm2 8.626 CV 1 ASSI { 1139} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.85884E-03 ppm1 2.541 ppm2 7.409 CV 1 ASSI { 1140} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.400 1.400 1.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 2.546 ppm2 8.823 CV 1 ASSI { 1141} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.400 2.400 1.600 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.56232E-03 ppm1 2.254 ppm2 8.999 CV 1 ASSI { 1144} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.300 1.300 1.300 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.84102E-03 ppm1 2.065 ppm2 8.624 CV 1 ASSI { 1145} (( segid " " and resid 64 and name HB )) (( segid " " and resid 63 and name HN )) 5.100 3.200 0.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.31118E-03 ppm1 2.206 ppm2 8.622 CV 1 ASSI { 1146} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 3.400 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.20619E-02 ppm1 2.409 ppm2 9.096 CV 1 ASSI { 1147} (( segid " " and resid 68 and name HB )) ( segid " " and resid 35 and name HE% ) 3.300 1.300 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.72928E-03 ppm1 2.403 ppm2 6.924 CV 1 ASSI { 1148} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HN )) 3.500 1.600 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.52122E-03 ppm1 2.408 ppm2 7.717 CV 1 ASSI { 1153} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG2%) 2.200 0.600 0.600 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.63051E-02 ppm1 2.408 ppm2 1.215 CV 1 ASSI { 1154} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) 2.200 0.600 0.600 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.69641E-02 ppm1 2.410 ppm2 1.137 CV 1 ASSI { 1157} (( segid " " and resid 68 and name HB )) ( segid " " and resid 45 and name HD1%) 5.000 3.100 1.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.36724E-03 ppm1 2.409 ppm2 0.228 CV 1 ASSI { 1159} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 58 and name HG1%) 4.800 2.900 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.60846E-03 ppm1 2.320 ppm2 0.924 CV 1 ASSI { 1160} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 60 and name HD1%) 3.700 1.700 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.43620E-03 ppm1 2.308 ppm2 0.825 CV 1 ASSI { 1161} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 60 and name HD1%) 3.500 1.500 1.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.78283E-03 ppm1 2.765 ppm2 0.829 CV 1 ASSI { 1163} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.38332E-02 ppm1 2.616 ppm2 2.349 CV 1 ASSI { 1166} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HG1 )) 1.800 0.400 0.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.74245E-02 ppm1 2.318 ppm2 2.764 CV 1 ASSI { 1167} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HB1 )) 2.300 0.700 0.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.50074E-02 ppm1 2.317 ppm2 2.512 CV 1 ASSI { 1170} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB1 )) 2.900 1.000 1.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.49935E-02 ppm1 2.765 ppm2 2.513 CV 1 ASSI { 1171} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HB1 )) 2.200 0.600 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.12594E-01 ppm1 2.503 ppm2 2.259 CV 1 OR { 1171} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB1 )) ASSI { 1172} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HG2 )) 1.700 0.400 0.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.19787E-01 ppm1 2.617 ppm2 2.466 CV 1 ASSI { 1174} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HA )) 3.300 1.400 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.15220E-02 ppm1 2.766 ppm2 4.094 CV 1 ASSI { 1175} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.100 2.100 1.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.85715E-03 ppm1 2.317 ppm2 4.264 CV 1 ASSI { 1176} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.21255E-02 ppm1 2.319 ppm2 4.095 CV 1 ASSI { 1178} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.12915E-02 ppm1 2.616 ppm2 4.238 CV 1 ASSI { 1179} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) 3.500 1.500 1.500 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.18768E-02 ppm1 2.470 ppm2 4.236 CV 1 ASSI { 1181} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 59 and name HA )) 4.100 2.100 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.36350E-03 ppm1 2.312 ppm2 4.841 CV 1 ASSI { 1182} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HN )) 2.400 0.700 0.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.40608E-02 ppm1 2.139 ppm2 8.487 CV 1 ASSI { 1183} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) 3.700 1.700 1.700 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 2.140 ppm2 7.527 CV 1 ASSI { 1184} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HN )) 4.400 2.400 1.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.49728E-03 ppm1 2.771 ppm2 8.029 CV 1 ASSI { 1185} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HN )) 4.100 2.100 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 2.616 ppm2 8.512 CV 1 ASSI { 1187} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 2.470 ppm2 8.514 CV 1 ASSI { 1188} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 4.600 2.700 1.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.54072E-03 ppm1 2.320 ppm2 8.042 CV 1 ASSI { 1189} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.26037E-02 ppm1 2.505 ppm2 9.556 CV 1 OR { 1189} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HN )) ASSI { 1190} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HN )) 3.700 1.700 1.700 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 2.323 ppm2 8.975 CV 1 ASSI { 1191} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 37 and name HN )) 3.700 1.700 1.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 2.505 ppm2 7.563 CV 1 OR { 1191} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 37 and name HN )) ASSI { 1192} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.12430E-02 ppm1 2.410 ppm2 8.482 CV 1 OR { 1192} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) ASSI { 1194} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 48 and name HN )) 4.800 2.800 1.200 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.36376E-03 ppm1 2.467 ppm2 8.327 CV 1 ASSI { 1196} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HA )) 3.400 1.500 1.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.12309E-02 ppm1 2.542 ppm2 4.396 CV 1 ASSI { 1197} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 37 and name HA )) 5.100 3.300 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.16414E-03 ppm1 2.501 ppm2 4.807 CV 1 OR { 1197} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 37 and name HA )) ASSI { 1198} (( segid " " and resid 58 and name HB )) (( segid " " and resid 53 and name HA )) 5.100 3.200 0.900 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.43284E-03 ppm1 2.143 ppm2 4.094 CV 1 ASSI { 1199} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB1 )) 2.300 0.700 0.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.11121E-01 ppm1 2.409 ppm2 2.233 CV 1 OR { 1199} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HB1 )) ASSI { 1201} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.85894E-02 ppm1 2.536 ppm2 2.277 CV 1 ASSI { 1202} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.59310E-02 ppm1 2.468 ppm2 2.279 CV 1 ASSI { 1203} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HB1 )) 2.500 0.800 0.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.36953E-02 ppm1 2.469 ppm2 2.335 CV 1 ASSI { 1207} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HG2 )) 1.600 0.300 0.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.20089E-01 ppm1 2.623 ppm2 2.394 CV 1 ASSI { 1208} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HG2 )) 1.800 0.400 0.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.12968E-01 ppm1 2.645 ppm2 2.502 CV 1 ASSI { 1212} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HB2 )) 2.800 0.900 0.900 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.46830E-02 ppm1 2.645 ppm2 2.278 CV 1 ASSI { 1213} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.36913E-02 ppm1 2.508 ppm2 2.276 CV 1 ASSI { 1214} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB1 )) 2.600 0.900 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.42943E-02 ppm1 2.394 ppm2 2.266 CV 1 ASSI { 1223} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG1%) 3.900 1.900 1.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.40588E-03 ppm1 2.503 ppm2 1.141 CV 1 ASSI { 1227} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HA )) 3.400 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.22526E-02 ppm1 2.623 ppm2 4.209 CV 1 ASSI { 1229} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.20079E-02 ppm1 2.647 ppm2 4.242 CV 1 ASSI { 1230} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.500 1.500 1.500 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.19314E-02 ppm1 2.500 ppm2 4.243 CV 1 ASSI { 1233} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.58401E-03 ppm1 2.623 ppm2 4.404 CV 1 ASSI { 1237} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 13 and name HA )) 4.500 2.500 1.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.34613E-03 ppm1 2.401 ppm2 4.407 CV 1 ASSI { 1243} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HN )) 4.700 2.800 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.25527E-03 ppm1 2.653 ppm2 7.725 CV 1 ASSI { 1244} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 70 and name HN )) 4.900 3.000 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.40706E-03 ppm1 2.647 ppm2 7.483 CV 1 ASSI { 1245} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.64031E-03 ppm1 2.515 ppm2 7.472 CV 1 ASSI { 1253} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 69 and name HN )) 5.700 4.100 0.300 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.20718E-03 ppm1 2.649 ppm2 9.101 CV 1 ASSI { 1257} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 45 and name HD2%) 5.000 3.100 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.43413E-03 ppm1 3.096 ppm2 0.362 CV 1 ASSI { 1260} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 38 and name HD1%) 5.800 4.200 0.200 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.28729E-03 ppm1 3.092 ppm2 0.882 CV 1 ASSI { 1269} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG11)) 2.400 0.700 0.700 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.34771E-02 ppm1 1.942 ppm2 1.731 CV 1 ASSI { 1270} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 3.592 ppm2 2.783 CV 1 ASSI { 1275} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB1 )) 1.900 0.400 0.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.84015E-02 ppm1 2.772 ppm2 3.094 CV 1 ASSI { 1278} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 1.700 0.300 0.500 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.12320E-01 ppm1 3.590 ppm2 3.089 CV 1 ASSI { 1281} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 76 and name HA )) 4.200 2.200 1.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.10126E-02 ppm1 3.092 ppm2 4.488 CV 1 ASSI { 1282} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.12890E-02 ppm1 3.092 ppm2 4.909 CV 1 ASSI { 1283} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.19866E-02 ppm1 2.771 ppm2 4.912 CV 1 ASSI { 1284} (( segid " " and resid 78 and name HB )) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.14034E-02 ppm1 1.942 ppm2 3.893 CV 1 ASSI { 1286} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.500 0.800 0.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.36781E-02 ppm1 3.591 ppm2 7.117 CV 1 ASSI { 1287} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 40 and name HD% ) 4.700 2.700 1.300 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.52301E-03 ppm1 3.595 ppm2 6.993 CV 1 ASSI { 1288} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.23640E-02 ppm1 3.094 ppm2 7.117 CV 1 ASSI { 1289} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 40 and name HD% ) 5.600 3.900 0.400 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 3.089 ppm2 6.989 CV 1 ASSI { 1291} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD22)) 3.600 1.600 1.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.18149E-02 ppm1 2.772 ppm2 7.672 CV 1 ASSI { 1293} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD21)) 3.300 1.400 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.10111E-02 ppm1 2.771 ppm2 7.329 CV 1 ASSI { 1294} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HN )) 2.400 0.700 0.700 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.46722E-02 ppm1 1.942 ppm2 8.276 CV 1 ASSI { 1296} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.600 0.800 0.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.22401E-02 ppm1 3.090 ppm2 8.471 CV 1 ASSI { 1301} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.700 1.700 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 3.590 ppm2 8.474 CV 1 ASSI { 1302} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HN )) 4.400 2.400 1.600 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.37526E-03 ppm1 3.591 ppm2 8.066 CV 1 ASSI { 1303} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.700 1.700 1.700 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.12031E-02 ppm1 3.591 ppm2 9.555 CV 1 ASSI { 1304} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 2.900 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 3.091 ppm2 9.557 CV 1 ASSI { 1306} (( segid " " and resid 38 and name HB )) ( segid " " and resid 26 and name HD1%) 3.400 1.400 1.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.91734E-03 ppm1 2.458 ppm2 0.691 CV 1 ASSI { 1307} (( segid " " and resid 38 and name HB )) ( segid " " and resid 24 and name HG2%) 3.400 1.500 1.500 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.77084E-03 ppm1 2.465 ppm2 1.276 CV 1 ASSI { 1310} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD2%) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 3.462 ppm2 0.637 CV 1 OR { 1310} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD1%) ASSI { 1313} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG11)) 2.400 0.700 0.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.29041E-02 ppm1 2.461 ppm2 1.829 CV 1 ASSI { 1314} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 1.600 0.300 0.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.16005E-01 ppm1 3.460 ppm2 2.789 CV 1 ASSI { 1315} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) 2.600 0.800 0.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.62592E-02 ppm1 2.829 ppm2 4.522 CV 1 ASSI { 1322} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.39806E-02 ppm1 3.460 ppm2 4.685 CV 1 ASSI { 1324} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 4.100 2.100 1.900 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.52582E-03 ppm1 2.793 ppm2 4.668 CV 1 ASSI { 1326} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HD% ) 2.300 0.700 0.700 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.51806E-02 ppm1 3.459 ppm2 7.445 CV 1 ASSI { 1330} (( segid " " and resid 38 and name HB )) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.42475E-03 ppm1 2.460 ppm2 6.980 CV 1 ASSI { 1331} (( segid " " and resid 38 and name HB )) ( segid " " and resid 40 and name HE% ) 4.400 2.400 1.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.28293E-03 ppm1 2.452 ppm2 6.757 CV 1 ASSI { 1332} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD% ) 2.500 0.800 0.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.41689E-02 ppm1 2.790 ppm2 7.443 CV 1 ASSI { 1334} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.600 1.700 1.700 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.20345E-02 ppm1 3.462 ppm2 8.129 CV 1 ASSI { 1336} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.21248E-02 ppm1 2.829 ppm2 8.623 CV 1 ASSI { 1337} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.000 1.200 1.200 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.18273E-02 ppm1 2.748 ppm2 8.622 CV 1 ASSI { 1340} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.29454E-02 ppm1 1.789 ppm2 8.141 CV 1 ASSI { 1341} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.23319E-02 ppm1 2.837 ppm2 8.822 CV 1 ASSI { 1342} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 2.749 ppm2 8.820 CV 1 ASSI { 1352} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 2.720 ppm2 8.697 CV 1 ASSI { 1353} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 24 and name HN )) 5.100 3.300 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.26435E-03 ppm1 2.837 ppm2 8.137 CV 1 OR { 1353} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 24 and name HN )) ASSI { 1354} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.15732E-02 ppm1 2.782 ppm2 8.069 CV 1 ASSI { 1355} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HD% ) 2.600 0.800 0.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.39800E-02 ppm1 3.297 ppm2 7.309 CV 1 ASSI { 1357} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.400 0.700 0.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.40468E-02 ppm1 3.017 ppm2 7.310 CV 1 ASSI { 1359} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.900 1.100 1.100 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 3.013 ppm2 7.116 CV 1 ASSI { 1362} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HE% ) 4.700 2.700 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.49659E-03 ppm1 2.779 ppm2 6.754 CV 1 ASSI { 1363} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 35 and name HD% ) 3.200 1.300 1.300 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 2.782 ppm2 7.113 CV 1 ASSI { 1364} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD% ) 2.600 0.800 0.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.31510E-02 ppm1 2.785 ppm2 6.974 CV 1 ASSI { 1365} (( segid " " and resid 60 and name HB )) (( segid " " and resid 59 and name HA )) 5.100 3.200 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.42868E-03 ppm1 1.789 ppm2 4.836 CV 1 ASSI { 1366} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 2.900 1.100 1.100 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.20345E-02 ppm1 1.790 ppm2 4.664 CV 1 ASSI { 1367} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD1 )) 4.100 2.100 1.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.10760E-02 ppm1 1.785 ppm2 4.011 CV 1 ASSI { 1368} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD2 )) 4.100 2.100 1.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 1.790 ppm2 3.577 CV 1 ASSI { 1370} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HB1 )) 2.400 0.700 0.700 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 3.013 ppm2 3.587 CV 1 ASSI { 1374} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 29 and name HA )) 5.700 4.000 0.300 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.31709E-03 ppm1 3.016 ppm2 4.854 CV 1 ASSI { 1377} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.45785E-02 ppm1 2.842 ppm2 4.730 CV 1 OR { 1377} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) ASSI { 1378} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.30908E-02 ppm1 2.892 ppm2 4.848 CV 1 ASSI { 1379} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.900 1.000 1.000 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.32371E-02 ppm1 2.671 ppm2 4.848 CV 1 ASSI { 1380} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.26059E-02 ppm1 2.831 ppm2 4.460 CV 1 ASSI { 1381} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.25864E-02 ppm1 2.783 ppm2 4.586 CV 1 ASSI { 1383} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) 3.000 1.200 1.200 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.26118E-02 ppm1 2.751 ppm2 4.450 CV 1 ASSI { 1384} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 1.600 0.300 0.600 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.11777E-01 ppm1 3.015 ppm2 2.783 CV 1 ASSI { 1386} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HB2 )) 1.800 0.400 0.400 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.16264E-01 ppm1 2.839 ppm2 2.733 CV 1 ASSI { 1389} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 1.700 0.300 0.500 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.26325E-01 ppm1 2.755 ppm2 2.862 CV 1 ASSI { 1391} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG11)) 4.600 2.700 1.400 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.62918E-03 ppm1 3.011 ppm2 1.821 CV 1 ASSI { 1392} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HG )) 4.600 2.600 1.400 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.64424E-03 ppm1 3.292 ppm2 1.775 CV 1 OR { 1392} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB1 )) ASSI { 1398} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 45 and name HG )) 4.700 2.700 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.51898E-03 ppm1 2.779 ppm2 1.357 CV 1 ASSI { 1399} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HG )) 3.500 1.600 1.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.39762E-03 ppm1 3.024 ppm2 1.360 CV 1 ASSI { 1405} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 26 and name HD1%) 3.000 1.100 1.100 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.15899E-02 ppm1 3.016 ppm2 0.693 CV 1 ASSI { 1407} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) 3.100 1.200 1.200 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 1.789 ppm2 1.121 CV 1 ASSI { 1409} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HD1%) 2.700 0.900 0.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.33530E-02 ppm1 1.788 ppm2 0.845 CV 1 ASSI { 1410} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG11)) 2.400 0.700 0.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.42529E-02 ppm1 1.788 ppm2 1.488 CV 1 ASSI { 1413} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 45 and name HD2%) 4.600 2.700 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.47248E-03 ppm1 2.781 ppm2 0.357 CV 1 ASSI { 1414} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 45 and name HD1%) 4.600 2.600 1.400 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.59110E-03 ppm1 2.790 ppm2 0.234 CV 1 ASSI { 1421} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.300 0.700 0.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.52715E-02 ppm1 3.303 ppm2 8.923 CV 1 ASSI { 1423} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.900 1.100 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.36803E-02 ppm1 2.860 ppm2 8.924 CV 1 ASSI { 1425} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 11 and name HN )) 2.600 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.23079E-02 ppm1 2.336 ppm2 8.839 CV 1 ASSI { 1426} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HN )) 2.900 1.000 1.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.35654E-02 ppm1 1.986 ppm2 8.409 CV 1 ASSI { 1428} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.400 0.700 0.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.32623E-02 ppm1 1.513 ppm2 8.467 CV 1 ASSI { 1429} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.18805E-02 ppm1 1.447 ppm2 8.409 CV 1 ASSI { 1431} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.19083E-02 ppm1 1.031 ppm2 7.510 CV 1 ASSI { 1432} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HN )) 3.800 1.800 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 1.569 ppm2 8.839 CV 1 ASSI { 1433} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 1.571 ppm2 8.071 CV 1 ASSI { 1435} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 2.800 0.900 0.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.12707E-02 ppm1 1.514 ppm2 8.233 CV 1 ASSI { 1436} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HN )) 2.700 0.900 0.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 1.847 ppm2 8.160 CV 1 ASSI { 1437} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.46080E-02 ppm1 1.841 ppm2 7.781 CV 1 ASSI { 1446} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) 2.500 0.800 0.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.70994E-02 ppm1 2.714 ppm2 8.250 CV 1 OR { 1446} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HN )) ASSI { 1448} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.20255E-02 ppm1 2.859 ppm2 7.974 CV 1 ASSI { 1449} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 43 and name HN )) 3.800 1.800 1.800 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.55701E-03 ppm1 2.855 ppm2 7.783 CV 1 ASSI { 1456} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 44 and name HN )) 5.200 3.400 0.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.24033E-03 ppm1 3.303 ppm2 8.164 CV 1 ASSI { 1457} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HN )) 3.900 1.900 1.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.14427E-02 ppm1 3.302 ppm2 7.972 CV 1 ASSI { 1458} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 43 and name HN )) 4.100 2.100 1.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.56819E-03 ppm1 3.305 ppm2 7.780 CV 1 ASSI { 1460} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.600 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.43491E-02 ppm1 2.360 ppm2 8.054 CV 1 ASSI { 1461} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 30 and name HZ )) 3.100 1.200 1.200 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.96654E-03 ppm1 2.337 ppm2 7.340 CV 1 ASSI { 1463} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.24403E-02 ppm1 1.702 ppm2 7.712 CV 1 ASSI { 1464} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.42877E-02 ppm1 1.633 ppm2 7.510 CV 1 ASSI { 1465} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 40 and name HE% ) 4.600 2.700 1.400 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.43565E-03 ppm1 1.450 ppm2 6.760 CV 1 ASSI { 1467} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 3.094 ppm2 4.812 CV 1 ASSI { 1468} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.900 1.100 1.100 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.23598E-02 ppm1 2.996 ppm2 4.813 CV 1 ASSI { 1469} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.700 0.900 0.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 3.036 ppm2 5.049 CV 1 ASSI { 1472} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.26369E-02 ppm1 2.880 ppm2 4.713 CV 1 ASSI { 1476} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.66308E-02 ppm1 2.714 ppm2 4.625 CV 1 OR { 1476} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) ASSI { 1477} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.23163E-02 ppm1 2.338 ppm2 4.214 CV 1 ASSI { 1478} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 3.000 1.200 1.200 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.24896E-02 ppm1 2.361 ppm2 5.048 CV 1 ASSI { 1482} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 1.847 ppm2 4.279 CV 1 ASSI { 1483} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 11 and name HA )) 3.500 1.600 1.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.84648E-03 ppm1 1.989 ppm2 3.524 CV 1 ASSI { 1491} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.200 1.300 1.300 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.67130E-03 ppm1 1.642 ppm2 3.321 CV 1 ASSI { 1493} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 1.700 0.400 0.500 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.15033E-01 ppm1 2.703 ppm2 3.040 CV 1 ASSI { 1494} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 1.700 0.400 0.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.15711E-01 ppm1 2.861 ppm2 3.301 CV 1 ASSI { 1496} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HB2 )) 1.800 0.400 0.400 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.19502E-01 ppm1 3.035 ppm2 2.360 CV 1 ASSI { 1499} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) 1.900 0.400 0.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.76252E-02 ppm1 1.449 ppm2 1.984 CV 1 ASSI { 1500} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HG )) 3.100 1.200 1.200 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.17796E-02 ppm1 1.440 ppm2 1.886 CV 1 ASSI { 1501} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD2%) 2.900 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 3.042 ppm2 0.639 CV 1 ASSI { 1502} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD2%) 3.100 1.200 1.200 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.22797E-02 ppm1 2.703 ppm2 0.636 CV 1 OR { 1502} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 1506} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG )) 2.600 0.800 0.800 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.25525E-02 ppm1 2.337 ppm2 1.895 CV 1 ASSI { 1507} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HB2 )) 1.700 0.300 0.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.12050E-01 ppm1 2.338 ppm2 1.572 CV 1 ASSI { 1514} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HG )) 2.700 0.900 0.900 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.22254E-02 ppm1 1.989 ppm2 1.887 CV 1 ASSI { 1515} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG )) 2.300 0.700 0.700 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.64506E-02 ppm1 1.840 ppm2 1.748 CV 1 ASSI { 1517} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD2%) 3.600 1.700 1.700 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.17561E-02 ppm1 1.514 ppm2 0.358 CV 1 ASSI { 1520} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD1%) 3.200 1.200 1.200 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.18533E-02 ppm1 1.632 ppm2 0.459 CV 1 ASSI { 1525} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 1.800 0.400 0.400 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.12350E-01 ppm1 1.454 ppm2 1.236 CV 1 ASSI { 1526} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD2%) 2.700 0.900 0.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.38855E-02 ppm1 1.633 ppm2 0.781 CV 1 ASSI { 1527} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 1.700 0.400 0.500 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.11120E-01 ppm1 1.632 ppm2 1.028 CV 1 ASSI { 1528} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD1%) 3.000 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.27218E-02 ppm1 1.839 ppm2 1.041 CV 1 OR { 1528} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 1529} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD2%) 2.900 1.000 1.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.26712E-02 ppm1 1.875 ppm2 1.030 CV 1 OR { 1529} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD1%) ASSI { 1535} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD1%) 3.500 1.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.15483E-02 ppm1 2.337 ppm2 0.797 CV 1 ASSI { 1536} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.400 2.400 1.600 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.61903E-03 ppm1 2.334 ppm2 0.617 CV 1 ASSI { 1539} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 3.400 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.52898E-03 ppm1 2.997 ppm2 1.852 CV 1 ASSI { 1543} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HN )) 2.900 1.000 1.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.31821E-02 ppm1 1.363 ppm2 9.432 CV 1 ASSI { 1545} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.14466E-02 ppm1 1.700 ppm2 8.728 CV 1 ASSI { 1546} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.80391E-03 ppm1 1.774 ppm2 8.465 CV 1 ASSI { 1547} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.21012E-02 ppm1 1.914 ppm2 8.276 CV 1 ASSI { 1550} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.32749E-02 ppm1 2.217 ppm2 8.413 CV 1 ASSI { 1553} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HE )) 2.600 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.33045E-02 ppm1 3.496 ppm2 9.074 CV 1 ASSI { 1554} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HE )) 2.700 0.900 0.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.27919E-02 ppm1 3.026 ppm2 9.073 CV 1 ASSI { 1555} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name HN )) 3.800 1.800 1.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.35283E-03 ppm1 1.372 ppm2 9.044 CV 1 ASSI { 1556} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.700 1.700 1.700 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 1.584 ppm2 9.036 CV 1 ASSI { 1558} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.600 0.900 0.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.22213E-02 ppm1 1.451 ppm2 8.413 CV 1 ASSI { 1560} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.20445E-02 ppm1 1.559 ppm2 8.279 CV 1 ASSI { 1563} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.600 0.900 0.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.25694E-02 ppm1 1.484 ppm2 8.154 CV 1 ASSI { 1564} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 79 and name HD21)) 4.400 2.400 1.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.62918E-03 ppm1 1.367 ppm2 7.332 CV 1 ASSI { 1567} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.000 1.100 1.100 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.27651E-02 ppm1 1.778 ppm2 7.211 CV 1 ASSI { 1569} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.600 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 1.913 ppm2 8.014 CV 1 ASSI { 1570} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HN )) 2.900 1.000 1.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.23639E-02 ppm1 2.425 ppm2 7.711 CV 1 ASSI { 1571} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH11)) 2.600 0.900 0.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.39701E-02 ppm1 3.497 ppm2 6.898 CV 1 OR { 1571} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH12)) OR { 1571} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH22)) ASSI { 1572} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH11)) 2.900 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.22182E-02 ppm1 3.022 ppm2 6.898 CV 1 OR { 1572} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH12)) OR { 1572} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH22)) ASSI { 1573} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 35 and name HZ )) 3.900 1.900 1.900 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.87032E-03 ppm1 2.432 ppm2 6.898 CV 1 ASSI { 1574} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 35 and name HZ )) 2.900 1.100 1.100 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.11160E-02 ppm1 1.701 ppm2 6.904 CV 1 OR { 1574} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 35 and name HE% ) ASSI { 1575} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.800 1.800 1.800 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.24213E-02 ppm1 2.014 ppm2 4.911 CV 1 ASSI { 1576} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HA )) 2.900 2.900 3.100 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.15663E-02 ppm1 1.559 ppm2 4.910 CV 1 ASSI { 1581} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.600 0.800 0.800 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.24133E-02 ppm1 2.217 ppm2 4.309 CV 1 ASSI { 1582} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 4.100 2.100 1.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.14953E-02 ppm1 2.218 ppm2 3.953 CV 1 ASSI { 1584} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 3.000 1.200 1.200 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.18591E-02 ppm1 2.426 ppm2 4.306 CV 1 ASSI { 1585} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.13529E-02 ppm1 1.774 ppm2 4.317 CV 1 ASSI { 1587} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.600 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.28152E-02 ppm1 1.587 ppm2 4.526 CV 1 ASSI { 1592} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.29699E-02 ppm1 1.551 ppm2 3.892 CV 1 ASSI { 1593} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 9 and name HB1 )) 3.600 1.700 1.700 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.88053E-03 ppm1 1.586 ppm2 3.038 CV 1 ASSI { 1597} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB1 )) 3.700 1.700 1.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.12664E-02 ppm1 3.497 ppm2 1.867 CV 1 ASSI { 1598} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG1 )) 2.500 0.800 0.800 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.34832E-02 ppm1 3.498 ppm2 1.647 CV 1 ASSI { 1599} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG2 )) 2.900 1.100 1.100 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.20682E-02 ppm1 3.497 ppm2 1.516 CV 1 ASSI { 1600} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB1 )) 3.000 1.100 1.100 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.15558E-02 ppm1 3.025 ppm2 1.866 CV 1 ASSI { 1601} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG1 )) 2.800 1.000 1.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.39853E-02 ppm1 3.021 ppm2 1.643 CV 1 ASSI { 1603} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD2%) 2.600 0.800 0.800 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.32207E-02 ppm1 2.426 ppm2 1.063 CV 1 OR { 1603} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD1%) ASSI { 1604} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 2.700 0.900 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.37075E-02 ppm1 2.426 ppm2 0.983 CV 1 ASSI { 1605} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HB2 )) 1.600 0.300 0.600 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.13848E-01 ppm1 2.426 ppm2 1.702 CV 1 ASSI { 1606} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HB2 )) 1.700 0.300 0.500 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.12336E-01 ppm1 2.217 ppm2 1.451 CV 1 ASSI { 1608} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HB2 )) 1.800 0.400 0.400 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.69136E-02 ppm1 2.195 ppm2 1.551 CV 1 ASSI { 1613} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 10 and name HD2%) 4.200 2.200 1.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 2.192 ppm2 1.136 CV 1 ASSI { 1616} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HB2 )) 1.700 0.300 0.500 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.13468E-01 ppm1 2.014 ppm2 1.560 CV 1 ASSI { 1617} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 1.700 0.400 0.500 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.11930E-01 ppm1 1.778 ppm2 1.412 CV 1 ASSI { 1619} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 5 and name HD1%) 2.700 0.900 0.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.34300E-02 ppm1 1.585 ppm2 0.621 CV 1 OR { 1619} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 5 and name HD2%) ASSI { 1621} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HB1 )) 1.800 0.400 0.400 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.96420E-02 ppm1 1.410 ppm2 1.775 CV 1 OR { 1621} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG )) ASSI { 1623} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG )) 2.400 0.700 0.700 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.36187E-02 ppm1 1.558 ppm2 1.842 CV 1 ASSI { 1624} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HB2 )) 1.700 0.400 0.500 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.12767E-01 ppm1 1.585 ppm2 1.362 CV 1 ASSI { 1625} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HB2 )) 1.600 0.300 0.600 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.19371E-01 ppm1 1.608 ppm2 1.479 CV 1 ASSI { 1626} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HG )) 2.900 1.000 1.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.32715E-02 ppm1 1.545 ppm2 1.686 CV 1 ASSI { 1628} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB1 )) 3.300 1.400 1.400 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.13385E-02 ppm1 3.099 ppm2 1.899 CV 1 ASSI { 1630} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB2 )) 3.700 1.700 1.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.11885E-02 ppm1 3.098 ppm2 1.617 CV 1 ASSI { 1631} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HB2 )) 3.000 1.100 1.100 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.14400E-02 ppm1 3.019 ppm2 1.619 CV 1 ASSI { 1632} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG1 )) 2.900 1.100 1.100 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.22659E-02 ppm1 3.019 ppm2 1.369 CV 1 ASSI { 1634} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG2 )) 2.500 0.800 0.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.31321E-02 ppm1 3.099 ppm2 0.994 CV 1 ASSI { 1635} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG2 )) 2.800 1.000 1.000 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 3.020 ppm2 0.994 CV 1 ASSI { 1637} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG1 )) 2.700 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.24131E-02 ppm1 3.198 ppm2 1.405 CV 1 ASSI { 1638} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG2 )) 2.700 0.900 0.900 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.28905E-02 ppm1 3.193 ppm2 1.167 CV 1 ASSI { 1641} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB1 )) 3.300 1.300 1.300 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.17147E-02 ppm1 3.308 ppm2 2.197 CV 1 ASSI { 1643} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.14749E-02 ppm1 3.347 ppm2 2.175 CV 1 ASSI { 1645} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.25310E-02 ppm1 3.192 ppm2 2.052 CV 1 OR { 1645} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1646} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB1 )) 2.800 1.000 1.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.31038E-02 ppm1 3.373 ppm2 2.029 CV 1 OR { 1646} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1650} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) 2.500 0.800 0.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.29575E-02 ppm1 3.448 ppm2 1.742 CV 1 ASSI { 1652} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG2 )) 2.600 0.800 0.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.35798E-02 ppm1 3.372 ppm2 1.691 CV 1 ASSI { 1653} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG2 )) 2.500 0.800 0.800 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.32243E-02 ppm1 3.450 ppm2 1.632 CV 1 ASSI { 1656} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) 5.000 3.100 1.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.47711E-03 ppm1 3.273 ppm2 4.627 CV 1 OR { 1656} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) ASSI { 1658} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 8 and name HA )) 3.800 1.800 1.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.62234E-03 ppm1 3.241 ppm2 4.624 CV 1 ASSI { 1659} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 9 and name HA )) 3.900 1.900 1.900 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.39939E-03 ppm1 3.374 ppm2 4.553 CV 1 ASSI { 1660} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 9 and name HA )) 4.100 2.100 1.900 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.35438E-03 ppm1 3.315 ppm2 4.551 CV 1 ASSI { 1667} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HA )) 4.900 3.000 1.100 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.43748E-03 ppm1 3.374 ppm2 4.040 CV 1 ASSI { 1668} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HA )) 4.900 3.000 1.100 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.38809E-03 ppm1 3.313 ppm2 4.042 CV 1 ASSI { 1673} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.900 3.000 1.100 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.58564E-03 ppm1 2.887 ppm2 4.444 CV 1 ASSI { 1674} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 52 and name HA )) 4.800 2.800 1.200 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.29147E-03 ppm1 3.101 ppm2 4.309 CV 1 ASSI { 1675} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HA )) 4.800 2.900 1.200 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.65287E-03 ppm1 3.099 ppm2 4.094 CV 1 ASSI { 1677} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HA )) 5.000 3.100 1.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.46465E-03 ppm1 3.234 ppm2 3.532 CV 1 ASSI { 1680} (( segid " " and resid 55 and name HD2 )) ( segid " " and resid 56 and name HE% ) 3.300 1.400 1.400 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.81877E-03 ppm1 3.018 ppm2 6.818 CV 1 ASSI { 1683} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.96884E-03 ppm1 2.884 ppm2 7.475 CV 1 ASSI { 1684} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 56 and name HD% ) 4.800 2.900 1.200 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.24140E-03 ppm1 3.105 ppm2 7.449 CV 1 ASSI { 1685} (( segid " " and resid 55 and name HD2 )) ( segid " " and resid 56 and name HD% ) 4.600 2.600 1.400 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.29311E-03 ppm1 3.023 ppm2 7.443 CV 1 ASSI { 1687} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HE )) 3.800 1.800 1.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.38633E-03 ppm1 3.019 ppm2 7.182 CV 1 ASSI { 1688} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE )) 3.000 1.100 1.100 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.17353E-02 ppm1 3.276 ppm2 7.398 CV 1 OR { 1688} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE )) ASSI { 1689} (( segid " " and resid 34 and name HD1 )) ( segid " " and resid 35 and name HE% ) 4.000 2.000 2.000 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.85623E-03 ppm1 3.450 ppm2 6.924 CV 1 ASSI { 1690} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HE )) 3.200 1.300 1.300 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.12928E-02 ppm1 3.448 ppm2 7.557 CV 1 ASSI { 1691} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HE )) 3.100 1.200 1.200 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.15433E-02 ppm1 3.305 ppm2 7.548 CV 1 ASSI { 1693} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HE )) 2.900 1.100 1.100 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.19242E-02 ppm1 3.452 ppm2 8.002 CV 1 ASSI { 1695} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HN )) 4.800 2.900 1.200 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.34102E-03 ppm1 3.301 ppm2 8.114 CV 1 ASSI { 1696} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HN )) 5.600 4.000 0.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.28927E-03 ppm1 3.101 ppm2 8.089 CV 1 ASSI { 1703} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HN )) 3.300 1.400 1.400 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.30471E-02 ppm1 3.015 ppm2 9.096 CV 1 ASSI { 1704} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.600 0.900 0.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.28924E-02 ppm1 2.886 ppm2 9.097 CV 1 ASSI { 1705} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 29 and name HN )) 2.800 0.900 0.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.28005E-02 ppm1 4.260 ppm2 8.669 CV 1 ASSI { 1706} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 28 and name HN )) 3.000 1.100 1.100 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.30594E-02 ppm1 4.261 ppm2 8.563 CV 1 ASSI { 1709} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HN )) 2.500 0.800 0.800 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.42300E-02 ppm1 3.876 ppm2 8.561 CV 1 ASSI { 1710} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.600 0.800 0.800 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.33346E-02 ppm1 4.118 ppm2 8.029 CV 1 ASSI { 1711} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HN )) 2.800 1.000 1.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.53031E-02 ppm1 3.887 ppm2 8.030 CV 1 ASSI { 1714} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.53756E-02 ppm1 4.078 ppm2 8.135 CV 1 OR { 1714} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 24 and name HN )) ASSI { 1715} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HA1 )) 1.700 0.300 0.500 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.21123E-01 ppm1 3.885 ppm2 4.117 CV 1 ASSI { 1716} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HA1 )) 1.700 0.400 0.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.17958E-01 ppm1 3.874 ppm2 4.261 CV 1 ASSI { 1722} (( segid " " and resid 19 and name HA1 )) ( segid " " and resid 18 and name HB% ) 4.100 2.100 1.900 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.13692E-02 ppm1 4.078 ppm2 1.552 CV 1 OR { 1722} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 18 and name HB% ) ASSI { 1723} (( segid " " and resid 66 and name HA2 )) ( segid " " and resid 65 and name HB% ) 4.200 2.200 1.800 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.41546E-03 ppm1 3.882 ppm2 1.394 CV 1 ASSI { 1725} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 46 and name HG1 )) 3.800 1.800 1.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.42635E-03 ppm1 3.887 ppm2 2.838 CV 1 ASSI { 1726} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 46 and name HG2 )) 4.600 2.600 1.400 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.26610E-03 ppm1 3.889 ppm2 2.759 CV 1 ASSI { 1728} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HN )) 2.300 0.700 0.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.72311E-02 ppm1 3.883 ppm2 7.719 CV 1 ASSI { 1729} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.32642E-02 ppm1 4.026 ppm2 7.589 CV 1 OR { 1729} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HN )) ASSI { 1730} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.51122E-02 ppm1 4.265 ppm2 7.721 CV 1 ASSI { 1731} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) 3.700 1.800 1.800 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 4.267 ppm2 8.064 CV 1 ASSI { 1732} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 83 and name HN )) 3.600 1.600 1.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.80269E-03 ppm1 4.027 ppm2 7.956 CV 1 OR { 1732} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 83 and name HN )) ASSI { 1733} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 80 and name HN )) 2.200 0.600 0.600 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.10878E-01 ppm1 4.026 ppm2 8.423 CV 1 OR { 1733} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 80 and name HN )) ASSI { 1736} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HN )) 4.800 2.900 1.200 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.58534E-03 ppm1 4.024 ppm2 8.878 CV 1 OR { 1736} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HN )) ASSI { 1737} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HA )) 3.900 1.900 1.900 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.70116E-03 ppm1 4.026 ppm2 4.463 CV 1 OR { 1737} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HA )) ASSI { 1742} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HA1 )) 1.600 0.300 0.600 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.27149E-01 ppm1 3.883 ppm2 4.264 CV 1 ASSI { 1747} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB1 )) 4.800 2.900 1.200 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.26127E-03 ppm1 4.030 ppm2 3.084 CV 1 OR { 1747} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB1 )) ASSI { 1748} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB2 )) 4.600 2.700 1.400 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.33285E-03 ppm1 4.027 ppm2 2.766 CV 1 OR { 1748} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB2 )) ASSI { 1749} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 40 and name HB1 )) 5.700 4.100 0.300 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.17762E-03 ppm1 3.881 ppm2 3.027 CV 1 ASSI { 1753} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 72 and name HN )) 3.500 1.500 1.500 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.45303E-03 ppm1 2.803 ppm2 8.995 CV 1 ASSI { 1756} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 72 and name HN )) 3.900 1.900 1.900 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.10289E-02 ppm1 4.032 ppm2 9.001 CV 1 ASSI { 1760} (( segid " " and resid 2 and name HA )) ( segid " " and resid 2 and name HB% ) 2.500 0.800 0.800 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.56104E-02 ppm1 4.286 ppm2 1.650 CV 1 ASSI { 1766} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.400 1.400 1.400 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.52648E-03 ppm1 2.811 ppm2 7.216 CV 1 ASSI { 1767} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HE% ) 5.400 3.600 0.600 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.20090E-03 ppm1 2.798 ppm2 6.922 CV 1 OR { 1767} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HZ )) ASSI { 1768} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HA )) 2.000 0.500 0.500 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.98063E-02 ppm1 4.014 ppm2 4.662 CV 1 ASSI { 1769} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.23516E-02 ppm1 4.031 ppm2 4.964 CV 1 ASSI { 1770} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HA )) 2.200 0.600 0.600 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.70519E-02 ppm1 3.576 ppm2 4.663 CV 1 ASSI { 1771} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HA )) 4.100 2.100 1.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.59504E-03 ppm1 3.577 ppm2 4.535 CV 1 ASSI { 1772} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HD1 )) 1.500 0.300 0.700 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.20661E-01 ppm1 3.577 ppm2 4.013 CV 1 ASSI { 1773} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HB )) 2.600 0.900 0.900 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.14232E-02 ppm1 2.808 ppm2 4.630 CV 1 ASSI { 1774} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.22821E-02 ppm1 2.809 ppm2 4.962 CV 1 ASSI { 1775} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HD1 )) 1.800 0.400 0.400 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.71050E-02 ppm1 2.809 ppm2 4.031 CV 1 ASSI { 1780} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB1 )) 4.700 2.800 1.300 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.42858E-03 ppm1 4.039 ppm2 2.249 CV 1 ASSI { 1781} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 3.900 1.900 1.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 4.028 ppm2 2.032 CV 1 ASSI { 1782} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG1 )) 2.300 0.700 0.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.57896E-02 ppm1 4.013 ppm2 2.133 CV 1 OR { 1782} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG2 )) ASSI { 1786} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 4.033 ppm2 1.306 CV 1 ASSI { 1790} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 70 and name HG2%) 4.000 2.000 2.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.99125E-03 ppm1 2.811 ppm2 1.078 CV 1 ASSI { 1791} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG1 )) 3.200 1.300 1.300 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 2.809 ppm2 2.187 CV 1 ASSI { 1792} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 3.400 1.500 1.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.58467E-03 ppm1 2.812 ppm2 2.016 CV 1 ASSI { 1793} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HD1%) 5.200 3.400 0.800 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.42940E-03 ppm1 3.574 ppm2 0.847 CV 1 ASSI { 1796} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HA )) 3.700 1.700 1.700 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.74108E-03 ppm1 4.011 ppm2 4.535 CV 1 ASSI { 1797} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 2.900 1.000 1.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.31927E-02 ppm1 4.751 ppm2 8.925 CV 1 ASSI { 1799} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.29566E-02 ppm1 4.747 ppm2 7.970 CV 1 ASSI { 1800} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.900 1.100 1.100 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.41095E-02 ppm1 4.375 ppm2 8.248 CV 1 ASSI { 1802} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HN )) 2.900 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.24188E-02 ppm1 4.477 ppm2 7.970 CV 1 ASSI { 1803} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 3.000 1.100 1.100 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.23116E-02 ppm1 4.477 ppm2 7.830 CV 1 ASSI { 1805} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) 2.600 0.800 0.800 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.41769E-02 ppm1 4.750 ppm2 3.295 CV 1 ASSI { 1808} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.900 1.000 1.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.51556E-02 ppm1 4.756 ppm2 2.858 CV 1 ASSI { 1813} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 1.900 0.500 0.500 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.10922E-01 ppm1 4.365 ppm2 9.431 CV 1 ASSI { 1814} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 2.200 0.600 0.600 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.85700E-02 ppm1 4.317 ppm2 8.459 CV 1 ASSI { 1816} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 3.400 1.400 1.400 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 4.462 ppm2 8.278 CV 1 ASSI { 1818} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.41012E-02 ppm1 4.522 ppm2 8.623 CV 1 ASSI { 1821} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.27203E-02 ppm1 4.365 ppm2 8.152 CV 1 ASSI { 1822} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 3.300 1.400 1.400 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.13701E-02 ppm1 4.225 ppm2 7.974 CV 1 ASSI { 1823} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.600 0.800 0.800 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.52276E-02 ppm1 4.284 ppm2 7.960 CV 1 ASSI { 1824} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.30905E-02 ppm1 4.284 ppm2 7.749 CV 1 ASSI { 1825} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.34202E-02 ppm1 4.403 ppm2 7.706 CV 1 ASSI { 1826} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HN )) 3.600 1.600 1.600 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.65956E-03 ppm1 4.461 ppm2 7.749 CV 1 ASSI { 1827} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.600 0.900 0.900 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.46705E-02 ppm1 4.464 ppm2 7.588 CV 1 ASSI { 1828} (( segid " " and resid 83 and name HA )) (( segid " " and resid 85 and name HN )) 3.900 1.900 1.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.72367E-03 ppm1 4.283 ppm2 7.845 CV 1 ASSI { 1829} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.500 1.500 1.500 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.84357E-03 ppm1 4.415 ppm2 8.213 CV 1 ASSI { 1830} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.000 1.200 1.200 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 4.525 ppm2 7.408 CV 1 ASSI { 1831} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.900 1.000 1.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 4.317 ppm2 7.210 CV 1 ASSI { 1834} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.900 1.000 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.30078E-02 ppm1 4.723 ppm2 2.775 CV 1 ASSI { 1837} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.88763E-02 ppm1 4.525 ppm2 2.744 CV 1 ASSI { 1838} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.400 1.400 1.400 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.15865E-02 ppm1 4.366 ppm2 3.021 CV 1 ASSI { 1839} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB1 )) 3.400 1.400 1.400 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.80095E-03 ppm1 4.372 ppm2 3.303 CV 1 ASSI { 1843} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HB% ) 2.100 0.500 0.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.12359E-01 ppm1 4.405 ppm2 1.673 CV 1 ASSI { 1844} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) 2.500 0.800 0.800 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.41411E-02 ppm1 4.316 ppm2 1.784 CV 1 OR { 1844} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 1846} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.700 0.900 0.900 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.43823E-02 ppm1 4.321 ppm2 1.415 CV 1 ASSI { 1847} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HB% ) 3.200 1.300 1.300 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 4.234 ppm2 1.487 CV 1 ASSI { 1849} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 3.700 1.700 1.700 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.99860E-03 ppm1 4.368 ppm2 1.579 CV 1 ASSI { 1850} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.900 1.000 1.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.23994E-02 ppm1 4.371 ppm2 1.450 CV 1 ASSI { 1852} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.700 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.42050E-02 ppm1 4.366 ppm2 1.236 CV 1 ASSI { 1859} (( segid " " and resid 26 and name HA )) ( segid " " and resid 38 and name HD1%) 4.500 2.500 1.500 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.47117E-03 ppm1 4.363 ppm2 0.860 CV 1 ASSI { 1862} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.800 1.000 1.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.28307E-02 ppm1 5.272 ppm2 9.091 CV 1 ASSI { 1863} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.19263E-02 ppm1 4.527 ppm2 9.434 CV 1 ASSI { 1864} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.200 1.200 1.200 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.14974E-02 ppm1 4.263 ppm2 8.976 CV 1 ASSI { 1865} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.600 0.900 0.900 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.33148E-02 ppm1 3.954 ppm2 8.763 CV 1 ASSI { 1866} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 3.984 ppm2 8.221 CV 1 ASSI { 1867} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.77487E-03 ppm1 3.957 ppm2 8.423 CV 1 ASSI { 1868} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.500 1.500 1.500 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.94965E-03 ppm1 3.960 ppm2 8.234 CV 1 ASSI { 1871} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 2.100 0.600 0.600 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.10942E-01 ppm1 4.529 ppm2 9.032 CV 1 ASSI { 1872} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.44452E-02 ppm1 4.262 ppm2 8.232 CV 1 ASSI { 1873} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 3.500 1.500 1.500 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 4.260 ppm2 8.113 CV 1 ASSI { 1874} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 3.100 1.200 1.200 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.20433E-02 ppm1 3.984 ppm2 8.029 CV 1 ASSI { 1876} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.100 1.200 1.200 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 4.318 ppm2 8.507 CV 1 ASSI { 1877} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.400 1.400 1.400 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.13817E-02 ppm1 5.270 ppm2 7.474 CV 1 ASSI { 1878} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HD% ) 3.000 1.200 1.200 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.14109E-02 ppm1 5.271 ppm2 7.114 CV 1 ASSI { 1879} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.500 0.800 0.800 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.47558E-02 ppm1 5.271 ppm2 3.019 CV 1 ASSI { 1880} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.46117E-02 ppm1 5.271 ppm2 2.889 CV 1 ASSI { 1881} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 3.100 1.200 1.200 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 4.261 ppm2 2.757 CV 1 ASSI { 1882} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.600 1.600 1.600 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 4.261 ppm2 2.512 CV 1 ASSI { 1883} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.600 0.800 0.800 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.35248E-02 ppm1 4.260 ppm2 2.352 CV 1 ASSI { 1884} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.600 0.900 0.900 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.28916E-02 ppm1 4.316 ppm2 2.349 CV 1 ASSI { 1885} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.200 1.300 1.300 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.24295E-02 ppm1 4.311 ppm2 2.212 CV 1 ASSI { 1886} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HB% ) 2.200 0.600 0.600 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.11679E-01 ppm1 4.261 ppm2 1.651 CV 1 ASSI { 1887} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.500 0.800 0.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.47396E-02 ppm1 4.530 ppm2 1.576 CV 1 OR { 1887} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) ASSI { 1888} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.700 0.900 0.900 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.35296E-02 ppm1 4.529 ppm2 1.362 CV 1 ASSI { 1890} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.800 1.000 1.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.38269E-02 ppm1 4.362 ppm2 1.487 CV 1 ASSI { 1895} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD2%) 3.300 1.300 1.300 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.35378E-02 ppm1 4.532 ppm2 0.623 CV 1 OR { 1895} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 1897} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 2.700 0.900 0.900 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.39946E-02 ppm1 4.631 ppm2 1.746 CV 1 OR { 1897} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 1902} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.38089E-02 ppm1 4.628 ppm2 2.080 CV 1 ASSI { 1904} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.31766E-02 ppm1 4.735 ppm2 2.182 CV 1 ASSI { 1906} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 3.100 1.200 1.200 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.14634E-02 ppm1 4.741 ppm2 1.629 CV 1 ASSI { 1908} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.300 1.400 1.400 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.12015E-02 ppm1 4.409 ppm2 2.153 CV 1 ASSI { 1909} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.42464E-02 ppm1 4.478 ppm2 8.482 CV 1 ASSI { 1910} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.64307E-02 ppm1 4.480 ppm2 8.246 CV 1 ASSI { 1911} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.35660E-02 ppm1 4.454 ppm2 8.820 CV 1 ASSI { 1913} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 3.000 1.100 1.100 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.24629E-02 ppm1 4.454 ppm2 8.625 CV 1 ASSI { 1914} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.600 0.900 0.900 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.32257E-02 ppm1 4.217 ppm2 8.280 CV 1 ASSI { 1916} (( segid " " and resid 82 and name HA )) (( segid " " and resid 85 and name HN )) 3.700 1.700 1.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.50464E-03 ppm1 4.218 ppm2 7.839 CV 1 ASSI { 1917} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HN )) 3.200 1.200 1.200 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 4.394 ppm2 7.836 CV 1 ASSI { 1918} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.700 0.900 0.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.41895E-02 ppm1 4.396 ppm2 7.744 CV 1 ASSI { 1919} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HN )) 3.700 1.700 1.700 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.57222E-03 ppm1 4.455 ppm2 7.405 CV 1 ASSI { 1920} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 3.000 1.100 1.100 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.27280E-02 ppm1 4.479 ppm2 2.408 CV 1 OR { 1920} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) ASSI { 1921} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.700 0.900 0.900 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.38841E-02 ppm1 4.479 ppm2 2.235 CV 1 ASSI { 1922} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.900 1.000 1.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.27265E-02 ppm1 4.479 ppm2 2.072 CV 1 ASSI { 1924} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.300 1.400 1.400 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.16801E-02 ppm1 4.394 ppm2 2.463 CV 1 ASSI { 1925} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.700 0.900 0.900 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.46758E-02 ppm1 4.396 ppm2 2.281 CV 1 ASSI { 1926} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.900 1.100 1.100 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 4.393 ppm2 2.144 CV 1 ASSI { 1931} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.26283E-02 ppm1 4.216 ppm2 2.010 CV 1 ASSI { 1932} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG )) 3.100 1.200 1.200 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.21565E-02 ppm1 4.217 ppm2 1.845 CV 1 ASSI { 1933} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG )) 3.600 1.700 1.700 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.59800E-03 ppm1 3.963 ppm2 2.051 CV 1 ASSI { 1937} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.10097E-02 ppm1 3.954 ppm2 1.421 CV 1 ASSI { 1938} (( segid " " and resid 62 and name HA )) ( segid " " and resid 65 and name HB% ) 2.900 1.000 1.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.31890E-02 ppm1 4.454 ppm2 1.390 CV 1 ASSI { 1940} (( segid " " and resid 20 and name HA )) ( segid " " and resid 21 and name HG2%) 4.800 2.800 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.42138E-03 ppm1 4.481 ppm2 1.240 CV 1 ASSI { 1942} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD2%) 2.000 0.500 0.500 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.13041E-01 ppm1 4.218 ppm2 0.985 CV 1 OR { 1942} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 1943} (( segid " " and resid 82 and name HA )) ( segid " " and resid 78 and name HG2%) 4.500 2.600 1.500 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.79253E-03 ppm1 4.219 ppm2 0.882 CV 1 ASSI { 1946} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG )) 3.100 1.200 1.200 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 3.309 ppm2 1.201 CV 1 ASSI { 1947} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.000 1.200 1.200 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.21921E-02 ppm1 3.312 ppm2 1.036 CV 1 ASSI { 1950} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.400 0.700 0.700 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.32483E-02 ppm1 3.896 ppm2 1.632 CV 1 ASSI { 1952} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 3.100 1.200 1.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.19365E-02 ppm1 3.893 ppm2 1.353 CV 1 ASSI { 1955} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD1%) 3.500 1.600 1.600 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.38080E-02 ppm1 3.894 ppm2 0.228 CV 1 ASSI { 1961} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD1%) 3.300 1.300 1.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.15174E-02 ppm1 4.216 ppm2 0.631 CV 1 OR { 1961} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD2%) ASSI { 1963} (( segid " " and resid 14 and name HA )) ( segid " " and resid 48 and name HG2%) 2.800 1.000 1.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.18866E-02 ppm1 4.402 ppm2 1.135 CV 1 ASSI { 1964} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD2%) 3.700 1.700 1.700 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 4.405 ppm2 0.888 CV 1 ASSI { 1965} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 2.300 0.700 0.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.65609E-02 ppm1 4.401 ppm2 0.765 CV 1 ASSI { 1966} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.200 0.600 0.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.58064E-02 ppm1 4.313 ppm2 1.702 CV 1 ASSI { 1967} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.42531E-02 ppm1 4.314 ppm2 1.451 CV 1 ASSI { 1970} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.700 0.900 0.900 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.61489E-02 ppm1 4.282 ppm2 2.038 CV 1 ASSI { 1974} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.300 0.700 0.700 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.49262E-02 ppm1 4.214 ppm2 1.572 CV 1 ASSI { 1978} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 3.200 1.300 1.300 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.16495E-02 ppm1 4.215 ppm2 1.892 CV 1 ASSI { 1979} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD2%) 2.800 1.000 1.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.42725E-02 ppm1 4.740 ppm2 1.062 CV 1 ASSI { 1983} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG )) 2.500 0.800 0.800 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.31602E-02 ppm1 4.744 ppm2 1.773 CV 1 OR { 1983} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB1 )) ASSI { 1985} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.500 0.800 0.800 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.53123E-02 ppm1 4.621 ppm2 2.055 CV 1 OR { 1985} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 1986} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.800 1.000 1.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.27781E-02 ppm1 4.400 ppm2 1.984 CV 1 ASSI { 1987} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG )) 3.100 1.200 1.200 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 4.401 ppm2 1.891 CV 1 ASSI { 1988} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.600 0.800 0.800 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.33040E-02 ppm1 4.397 ppm2 1.449 CV 1 ASSI { 1995} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 2.600 0.900 0.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.25834E-02 ppm1 4.594 ppm2 3.020 CV 1 ASSI { 1996} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.34495E-02 ppm1 4.746 ppm2 3.012 CV 1 ASSI { 1997} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.600 0.800 0.800 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.33443E-02 ppm1 4.742 ppm2 3.304 CV 1 ASSI { 2000} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB )) 2.600 0.800 0.800 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.24484E-02 ppm1 3.893 ppm2 4.414 CV 1 ASSI { 2002} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 3.311 ppm2 7.512 CV 1 ASSI { 2003} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.35259E-02 ppm1 3.893 ppm2 8.468 CV 1 ASSI { 2005} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) 3.200 1.300 1.300 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.15917E-02 ppm1 4.278 ppm2 8.263 CV 1 ASSI { 2007} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.50319E-02 ppm1 4.278 ppm2 8.011 CV 1 ASSI { 2008} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.23098E-02 ppm1 4.309 ppm2 7.717 CV 1 ASSI { 2009} (( segid " " and resid 52 and name HA )) ( segid " " and resid 56 and name HD% ) 2.700 0.900 0.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.30445E-02 ppm1 4.312 ppm2 7.443 CV 1 ASSI { 2011} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HN )) 3.200 1.300 1.300 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 4.216 ppm2 7.705 CV 1 ASSI { 2012} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.28962E-02 ppm1 4.405 ppm2 8.405 CV 1 ASSI { 2014} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 2.100 0.600 0.600 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.11846E-01 ppm1 4.590 ppm2 7.977 CV 1 ASSI { 2019} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HN )) 3.200 1.300 1.300 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 3.308 ppm2 8.999 CV 1 ASSI { 2021} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HD% ) 3.700 1.700 1.700 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.97752E-03 ppm1 3.309 ppm2 7.316 CV 1 ASSI { 2023} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.200 1.300 1.300 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 4.316 ppm2 8.728 CV 1 ASSI { 2024} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.67972E-03 ppm1 4.569 ppm2 7.675 CV 1 ASSI { 2025} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD% ) 2.900 1.000 1.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.23533E-02 ppm1 4.594 ppm2 6.975 CV 1 ASSI { 2027} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HA )) 5.100 3.300 0.900 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.39120E-03 ppm1 3.311 ppm2 4.239 CV 1 ASSI { 2028} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HD1 )) 4.700 2.800 1.300 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.57962E-03 ppm1 3.310 ppm2 4.034 CV 1 ASSI { 2030} (( segid " " and resid 75 and name HA )) ( segid " " and resid 5 and name HD1%) 3.300 1.400 1.400 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.22387E-02 ppm1 3.893 ppm2 0.614 CV 1 ASSI { 2031} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.65455E-02 ppm1 4.098 ppm2 1.899 CV 1 ASSI { 2032} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.600 0.800 0.800 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.30287E-02 ppm1 4.093 ppm2 1.613 CV 1 ASSI { 2033} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.26890E-02 ppm1 4.098 ppm2 1.369 CV 1 ASSI { 2034} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 3.300 1.300 1.300 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.20630E-02 ppm1 4.098 ppm2 0.997 CV 1 ASSI { 2036} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.900 1.000 1.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.33404E-02 ppm1 3.894 ppm2 2.197 CV 1 ASSI { 2038} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.600 0.800 0.800 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.53470E-02 ppm1 4.365 ppm2 2.261 CV 1 ASSI { 2039} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.52015E-02 ppm1 4.363 ppm2 2.138 CV 1 ASSI { 2049} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.700 0.900 0.900 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.33413E-02 ppm1 4.210 ppm2 2.397 CV 1 ASSI { 2050} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) 2.400 0.700 0.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.59417E-02 ppm1 4.214 ppm2 2.268 CV 1 ASSI { 2054} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.51637E-02 ppm1 4.240 ppm2 2.016 CV 1 ASSI { 2055} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 2.900 1.100 1.100 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.31561E-02 ppm1 4.243 ppm2 1.743 CV 1 ASSI { 2061} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HG1%) 3.200 1.300 1.300 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.17699E-02 ppm1 4.212 ppm2 1.046 CV 1 ASSI { 2066} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.400 0.700 0.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.56951E-02 ppm1 4.687 ppm2 2.131 CV 1 ASSI { 2067} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.800 0.900 0.900 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.45119E-02 ppm1 4.365 ppm2 2.503 CV 1 OR { 2067} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 2073} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 4.300 2.300 1.700 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.11955E-02 ppm1 4.099 ppm2 3.020 CV 1 ASSI { 2076} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.90861E-03 ppm1 4.360 ppm2 7.572 CV 1 ASSI { 2077} (( segid " " and resid 36 and name HA )) (( segid " " and resid 40 and name HN )) 3.200 1.300 1.300 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 4.365 ppm2 8.069 CV 1 ASSI { 2079} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 3.400 1.500 1.500 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 4.241 ppm2 7.719 CV 1 ASSI { 2081} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.700 0.900 0.900 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.28589E-02 ppm1 4.273 ppm2 7.780 CV 1 ASSI { 2082} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.600 0.800 0.800 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.44119E-02 ppm1 4.098 ppm2 8.084 CV 1 ASSI { 2083} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.37089E-02 ppm1 3.893 ppm2 8.727 CV 1 ASSI { 2086} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.44448E-02 ppm1 4.210 ppm2 8.219 CV 1 ASSI { 2087} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.30940E-02 ppm1 4.234 ppm2 8.518 CV 1 ASSI { 2089} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HD% ) 2.900 1.000 1.000 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.33966E-02 ppm1 4.683 ppm2 7.446 CV 1 ASSI { 2090} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.200 0.600 0.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.12104E-01 ppm1 4.686 ppm2 8.486 CV 1 ASSI { 2091} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.35233E-02 ppm1 4.365 ppm2 9.557 CV 1 ASSI { 2092} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.800 1.000 1.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.27394E-02 ppm1 3.526 ppm2 8.840 CV 1 ASSI { 2093} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.27927E-02 ppm1 3.611 ppm2 8.998 CV 1 ASSI { 2095} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.500 0.800 0.800 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.41704E-02 ppm1 4.270 ppm2 8.923 CV 1 ASSI { 2096} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.35204E-02 ppm1 4.094 ppm2 8.976 CV 1 ASSI { 2098} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 0.900 0.900 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.29417E-02 ppm1 4.308 ppm2 8.236 CV 1 ASSI { 2100} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.38600E-02 ppm1 4.773 ppm2 8.839 CV 1 ASSI { 2102} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.600 0.800 0.800 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.39309E-02 ppm1 4.034 ppm2 7.981 CV 1 ASSI { 2103} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HN )) 3.300 1.400 1.400 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.10058E-02 ppm1 3.523 ppm2 8.410 CV 1 ASSI { 2105} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.600 1.600 1.600 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.74021E-03 ppm1 3.609 ppm2 7.840 CV 1 ASSI { 2107} (( segid " " and resid 11 and name HA )) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.88436E-03 ppm1 3.530 ppm2 7.220 CV 1 ASSI { 2108} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.29490E-02 ppm1 4.093 ppm2 7.526 CV 1 ASSI { 2109} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.300 1.400 1.400 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 4.034 ppm2 7.703 CV 1 ASSI { 2110} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.500 1.500 1.500 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.77936E-03 ppm1 4.038 ppm2 8.451 CV 1 ASSI { 2111} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 3.300 1.300 1.300 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.12441E-02 ppm1 4.270 ppm2 7.782 CV 1 ASSI { 2113} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 2.900 1.100 1.100 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.20124E-02 ppm1 4.270 ppm2 8.467 CV 1 ASSI { 2116} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.800 0.900 0.900 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.38866E-02 ppm1 4.566 ppm2 4.150 CV 1 ASSI { 2117} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.400 0.700 0.700 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.55558E-02 ppm1 4.569 ppm2 4.055 CV 1 ASSI { 2118} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD1 )) 3.100 1.200 1.200 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.17048E-02 ppm1 4.305 ppm2 3.199 CV 1 OR { 2118} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 2120} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD2 )) 4.700 2.800 1.300 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.52873E-03 ppm1 3.612 ppm2 3.028 CV 1 ASSI { 2121} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.400 0.700 0.700 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.43096E-02 ppm1 4.094 ppm2 2.511 CV 1 ASSI { 2122} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) 2.400 0.700 0.700 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.62735E-02 ppm1 4.093 ppm2 2.334 CV 1 OR { 2122} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) ASSI { 2124} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.300 0.700 0.700 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.85001E-02 ppm1 4.034 ppm2 2.027 CV 1 OR { 2124} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) ASSI { 2125} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) 3.300 1.300 1.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.20038E-02 ppm1 4.033 ppm2 1.936 CV 1 ASSI { 2126} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.700 0.900 0.900 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.33716E-02 ppm1 4.035 ppm2 1.692 CV 1 ASSI { 2128} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.500 0.800 0.800 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.47438E-02 ppm1 3.527 ppm2 2.040 CV 1 OR { 2128} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 2130} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.34343E-02 ppm1 3.611 ppm2 2.196 CV 1 ASSI { 2131} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.900 1.100 1.100 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.29847E-02 ppm1 3.613 ppm2 1.866 CV 1 ASSI { 2135} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 3.000 1.100 1.100 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.31460E-02 ppm1 3.527 ppm2 1.162 CV 1 ASSI { 2137} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HD2%) 3.400 1.400 1.400 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 3.529 ppm2 0.794 CV 1 ASSI { 2139} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.200 2.200 1.800 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.11986E-02 ppm1 3.612 ppm2 1.035 CV 1 ASSI { 2140} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD2%) 3.400 1.500 1.500 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.12724E-02 ppm1 3.611 ppm2 0.883 CV 1 ASSI { 2142} (( segid " " and resid 53 and name HA )) ( segid " " and resid 58 and name HG1%) 3.100 1.200 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.49113E-02 ppm1 4.093 ppm2 0.928 CV 1 ASSI { 2143} (( segid " " and resid 53 and name HA )) ( segid " " and resid 78 and name HD1%) 3.800 1.800 1.800 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.96307E-03 ppm1 4.093 ppm2 0.812 CV 1 ASSI { 2144} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG2%) 2.700 0.900 0.900 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.38500E-02 ppm1 4.034 ppm2 1.120 CV 1 ASSI { 2148} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD2%) 4.200 2.200 1.800 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.15319E-02 ppm1 4.270 ppm2 0.359 CV 1 ASSI { 2150} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD1%) 2.700 0.900 0.900 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.38880E-02 ppm1 3.612 ppm2 0.460 CV 1 ASSI { 2155} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.000 0.500 0.500 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.12825E-01 ppm1 4.446 ppm2 9.096 CV 1 ASSI { 2156} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.400 0.700 0.700 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.77512E-02 ppm1 4.518 ppm2 8.493 CV 1 ASSI { 2157} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.900 1.100 1.100 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.24275E-02 ppm1 4.516 ppm2 8.248 CV 1 ASSI { 2160} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.600 0.800 0.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 4.444 ppm2 7.301 CV 1 ASSI { 2162} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB )) 2.400 0.700 0.700 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.74669E-02 ppm1 4.518 ppm2 4.386 CV 1 ASSI { 2164} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.200 0.600 0.600 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.63260E-02 ppm1 4.446 ppm2 2.409 CV 1 ASSI { 2165} (( segid " " and resid 68 and name HA )) (( segid " " and resid 73 and name HB2 )) 3.800 1.800 1.800 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.13661E-02 ppm1 4.445 ppm2 2.277 CV 1 ASSI { 2167} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB1 )) 5.000 3.200 1.000 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.84868E-03 ppm1 4.448 ppm2 3.015 CV 1 ASSI { 2169} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 2.300 0.700 0.700 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.74164E-02 ppm1 4.669 ppm2 2.455 CV 1 ASSI { 2170} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.700 0.900 0.900 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.54991E-02 ppm1 4.516 ppm2 1.245 CV 1 ASSI { 2172} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD1%) 4.600 2.700 1.400 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.11303E-02 ppm1 4.666 ppm2 0.877 CV 1 ASSI { 2176} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.21079E-02 ppm1 4.333 ppm2 8.132 CV 1 ASSI { 2177} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 1.900 0.500 0.500 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.19283E-01 ppm1 4.393 ppm2 8.150 CV 1 ASSI { 2179} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.300 0.700 0.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.86966E-02 ppm1 4.334 ppm2 8.608 CV 1 ASSI { 2180} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.16623E-02 ppm1 4.382 ppm2 8.467 CV 1 ASSI { 2182} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HN )) 3.900 1.900 1.900 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.66517E-03 ppm1 4.383 ppm2 7.558 CV 1 ASSI { 2183} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD% ) 2.600 0.800 0.800 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.35407E-02 ppm1 4.376 ppm2 7.119 CV 1 ASSI { 2184} (( segid " " and resid 35 and name HA )) ( segid " " and resid 40 and name HD% ) 5.000 3.100 1.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.74322E-03 ppm1 4.376 ppm2 6.992 CV 1 ASSI { 2185} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.200 0.600 0.600 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.15434E-01 ppm1 4.111 ppm2 4.385 CV 1 OR { 2185} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) ASSI { 2186} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB )) 2.200 0.600 0.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 4.393 ppm2 4.187 CV 1 ASSI { 2187} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.400 0.700 0.700 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.29329E-02 ppm1 4.380 ppm2 3.587 CV 1 ASSI { 2188} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.17824E-02 ppm1 4.382 ppm2 3.086 CV 1 ASSI { 2189} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG12)) 2.200 0.600 0.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.30335E-02 ppm1 4.380 ppm2 1.548 CV 1 ASSI { 2190} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) 4.500 2.500 1.500 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.93980E-03 ppm1 4.397 ppm2 1.496 CV 1 ASSI { 2191} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.600 0.800 0.800 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.50560E-02 ppm1 4.393 ppm2 1.383 CV 1 ASSI { 2194} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG11)) 3.200 1.300 1.300 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.21282E-02 ppm1 4.378 ppm2 1.826 CV 1 ASSI { 2195} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HB )) 4.700 2.800 1.300 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.10320E-02 ppm1 4.381 ppm2 2.456 CV 1 ASSI { 2196} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 5.200 3.400 0.800 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.27134E-03 ppm1 4.114 ppm2 2.490 CV 1 OR { 2196} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HB1 )) ASSI { 2197} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HB2 )) 4.600 2.600 1.400 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.37533E-03 ppm1 4.114 ppm2 2.354 CV 1 OR { 2197} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HB2 )) ASSI { 2198} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HB2 )) 4.200 2.200 1.800 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.38022E-03 ppm1 4.113 ppm2 1.642 CV 1 OR { 2198} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HB2 )) ASSI { 2199} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HG1 )) 4.800 2.800 1.200 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.39130E-03 ppm1 4.115 ppm2 1.355 CV 1 OR { 2199} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HG1 )) ASSI { 2200} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HG )) 4.000 2.000 2.000 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.81264E-03 ppm1 4.395 ppm2 1.719 CV 1 ASSI { 2201} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HB1 )) 5.200 3.400 0.800 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.32243E-03 ppm1 4.339 ppm2 2.879 CV 1 ASSI { 2202} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HB2 )) 4.900 3.000 1.100 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.37588E-03 ppm1 4.336 ppm2 2.769 CV 1 ASSI { 2204} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.59626E-03 ppm1 4.388 ppm2 2.796 CV 1 ASSI { 2205} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HN )) 5.200 3.400 0.800 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.29027E-03 ppm1 4.119 ppm2 8.971 CV 1 OR { 2205} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HN )) ASSI { 2211} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.000 0.500 0.500 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.14447E-01 ppm1 4.533 ppm2 8.821 CV 1 ASSI { 2212} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 2.900 1.100 1.100 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 4.037 ppm2 8.234 CV 1 ASSI { 2220} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.33960E-02 ppm1 3.802 ppm2 8.485 CV 1 ASSI { 2221} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.32235E-02 ppm1 3.756 ppm2 8.486 CV 1 ASSI { 2222} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.200 2.200 1.800 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 3.802 ppm2 8.144 CV 1 ASSI { 2223} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 4.300 2.300 1.700 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.91626E-03 ppm1 3.755 ppm2 8.144 CV 1 ASSI { 2226} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.600 1.600 1.600 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 3.980 ppm2 8.563 CV 1 ASSI { 2227} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.33631E-02 ppm1 3.802 ppm2 4.843 CV 1 ASSI { 2228} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 2.800 1.000 1.000 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.30462E-02 ppm1 3.759 ppm2 4.843 CV 1 ASSI { 2234} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.81627E-02 ppm1 4.036 ppm2 4.304 CV 1 ASSI { 2235} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.200 0.600 0.600 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.95797E-02 ppm1 3.979 ppm2 4.303 CV 1 ASSI { 2237} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.100 0.600 0.600 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.78349E-02 ppm1 4.532 ppm2 2.545 CV 1 ASSI { 2240} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.46503E-02 ppm1 4.536 ppm2 2.080 CV 1 ASSI { 2241} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB1 )) 3.300 1.400 1.400 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.48847E-03 ppm1 4.064 ppm2 2.352 CV 1 ASSI { 2242} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB1 )) 3.900 1.900 1.900 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.47293E-03 ppm1 4.148 ppm2 2.340 CV 1 ASSI { 2243} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) 4.700 2.800 1.300 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.55200E-03 ppm1 4.059 ppm2 2.209 CV 1 ASSI { 2244} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 4.900 3.000 1.100 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.64006E-03 ppm1 4.144 ppm2 2.206 CV 1 ASSI { 2247} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 2.700 0.900 0.900 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.35083E-02 ppm1 3.745 ppm2 1.941 CV 1 ASSI { 2248} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG11)) 3.100 1.200 1.200 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.24505E-02 ppm1 3.747 ppm2 1.728 CV 1 ASSI { 2252} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 48 and name HG2%) 4.700 2.700 1.300 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.31721E-03 ppm1 4.061 ppm2 1.137 CV 1 ASSI { 2253} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 48 and name HG2%) 4.400 2.400 1.600 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.36535E-03 ppm1 4.143 ppm2 1.127 CV 1 ASSI { 2254} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG12)) 2.400 0.700 0.700 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.34333E-02 ppm1 3.746 ppm2 1.287 CV 1 ASSI { 2257} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 14 and name HD1%) 4.400 2.400 1.600 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.32793E-03 ppm1 4.144 ppm2 0.769 CV 1 ASSI { 2258} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 14 and name HD1%) 5.000 3.100 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.22326E-03 ppm1 4.059 ppm2 0.766 CV 1 ASSI { 2259} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) 3.100 1.200 1.200 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.29915E-02 ppm1 4.350 ppm2 8.920 CV 1 ASSI { 2261} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.400 1.400 1.400 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.74087E-03 ppm1 4.236 ppm2 8.998 CV 1 ASSI { 2262} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.800 0.900 0.900 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.24935E-02 ppm1 4.190 ppm2 8.921 CV 1 ASSI { 2263} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.40803E-02 ppm1 3.944 ppm2 8.454 CV 1 ASSI { 2265} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 3.300 1.300 1.300 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.17064E-02 ppm1 3.826 ppm2 8.217 CV 1 ASSI { 2268} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 3.900 1.900 1.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.57891E-03 ppm1 4.236 ppm2 8.725 CV 1 ASSI { 2271} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.14676E-02 ppm1 4.233 ppm2 7.711 CV 1 ASSI { 2272} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.600 0.800 0.800 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.42036E-02 ppm1 3.826 ppm2 7.404 CV 1 ASSI { 2273} (( segid " " and resid 71 and name HA )) (( segid " " and resid 35 and name HZ )) 2.100 0.600 0.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.58049E-02 ppm1 4.234 ppm2 6.891 CV 1 ASSI { 2274} (( segid " " and resid 71 and name HA )) ( segid " " and resid 30 and name HD% ) 5.400 3.700 0.600 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.25279E-03 ppm1 4.242 ppm2 7.307 CV 1 ASSI { 2277} (( segid " " and resid 64 and name HA )) (( segid " " and resid 63 and name HA )) 4.300 2.400 1.700 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.33176E-03 ppm1 3.828 ppm2 4.521 CV 1 ASSI { 2283} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name H28A)) 4.000 2.000 2.000 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.47132E-03 ppm1 4.352 ppm2 3.484 CV 1 ASSI { 2284} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name H28A)) 4.300 2.300 1.700 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.50469E-03 ppm1 4.187 ppm2 3.477 CV 1 ASSI { 2285} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD1 )) 3.400 1.400 1.400 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.10847E-02 ppm1 3.827 ppm2 3.276 CV 1 OR { 2285} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD2 )) ASSI { 2286} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HG1 )) 6.000 4.500 0.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.11481E-03 ppm1 3.947 ppm2 2.637 CV 1 ASSI { 2287} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) 2.700 0.900 0.900 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.48481E-02 ppm1 3.944 ppm2 2.275 CV 1 ASSI { 2291} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.100 0.600 0.600 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.51704E-02 ppm1 4.233 ppm2 2.250 CV 1 ASSI { 2292} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.000 1.100 1.100 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.22481E-02 ppm1 4.232 ppm2 2.014 CV 1 ASSI { 2294} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.18626E-02 ppm1 3.826 ppm2 1.861 CV 1 ASSI { 2295} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.600 1.600 1.600 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.15613E-02 ppm1 3.825 ppm2 1.763 CV 1 OR { 2295} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 2297} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HB2 )) 4.300 2.300 1.700 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.54042E-03 ppm1 3.944 ppm2 1.439 CV 1 ASSI { 2300} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG2%) 2.200 0.600 0.600 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.10856E-01 ppm1 3.826 ppm2 1.019 CV 1 ASSI { 2301} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.22645E-02 ppm1 4.235 ppm2 1.702 CV 1 ASSI { 2302} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 65 and name HB% ) 4.300 2.300 1.700 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.54960E-03 ppm1 4.350 ppm2 1.384 CV 1 ASSI { 2303} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.600 1.700 1.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.17967E-02 ppm1 4.232 ppm2 1.314 CV 1 ASSI { 2306} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 65 and name HB% ) 4.800 2.900 1.200 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.53807E-03 ppm1 4.194 ppm2 1.395 CV 1 ASSI { 2309} (( segid " " and resid 71 and name HA )) ( segid " " and resid 31 and name HD1%) 5.300 3.500 0.700 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.22461E-03 ppm1 4.228 ppm2 0.468 CV 1 ASSI { 2313} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.300 1.400 1.400 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.10752E-02 ppm1 3.964 ppm2 8.120 CV 1 ASSI { 2314} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 3.700 1.700 1.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.67380E-03 ppm1 3.870 ppm2 8.252 CV 1 ASSI { 2315} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HN )) 3.300 1.400 1.400 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.11471E-02 ppm1 3.870 ppm2 8.070 CV 1 ASSI { 2316} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HN )) 4.400 2.400 1.600 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.30385E-03 ppm1 3.873 ppm2 7.895 CV 1 ASSI { 2317} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 4.000 2.000 2.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.52373E-03 ppm1 3.960 ppm2 8.761 CV 1 ASSI { 2319} (( segid " " and resid 7 and name HA )) (( segid " " and resid 30 and name HZ )) 3.800 1.800 1.800 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 3.871 ppm2 7.339 CV 1 OR { 2319} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 2320} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.43783E-03 ppm1 3.873 ppm2 7.217 CV 1 ASSI { 2324} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.900 1.100 1.100 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.22007E-02 ppm1 4.321 ppm2 8.250 CV 1 ASSI { 2329} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HA )) 4.800 2.800 1.200 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.23822E-03 ppm1 3.871 ppm2 4.764 CV 1 ASSI { 2334} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HD2 )) 4.300 2.300 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.36549E-03 ppm1 3.957 ppm2 3.307 CV 1 ASSI { 2337} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.600 0.800 0.800 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.26081E-02 ppm1 3.870 ppm2 2.337 CV 1 ASSI { 2340} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HG2%) 2.500 0.800 0.800 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.50675E-02 ppm1 3.961 ppm2 1.131 CV 1 ASSI { 2342} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD2%) 3.100 1.200 1.200 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.15825E-02 ppm1 3.871 ppm2 0.879 CV 1 ASSI { 2344} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD1%) 3.500 1.500 1.500 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.13093E-02 ppm1 3.870 ppm2 0.458 CV 1 ASSI { 2345} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HD2%) 3.600 1.700 1.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 3.872 ppm2 1.133 CV 1 ASSI { 2348} (( segid " " and resid 48 and name HB )) ( segid " " and resid 48 and name HG2%) 2.400 0.700 0.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.43873E-02 ppm1 4.421 ppm2 1.127 CV 1 ASSI { 2349} (( segid " " and resid 48 and name HB )) ( segid " " and resid 45 and name HD2%) 4.200 2.200 1.800 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.46517E-03 ppm1 4.419 ppm2 0.361 CV 1 ASSI { 2352} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.28318E-02 ppm1 4.420 ppm2 8.764 CV 1 ASSI { 2354} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.35802E-02 ppm1 4.228 ppm2 8.135 CV 1 ASSI { 2355} (( segid " " and resid 24 and name HB )) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 4.231 ppm2 8.606 CV 1 ASSI { 2359} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HA )) 2.500 0.800 0.800 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.58605E-02 ppm1 4.230 ppm2 4.342 CV 1 ASSI { 2367} (( segid " " and resid 3 and name HB )) ( segid " " and resid 82 and name HD1%) 3.400 1.500 1.500 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.11782E-02 ppm1 4.187 ppm2 0.990 CV 1 OR { 2367} (( segid " " and resid 3 and name HB )) ( segid " " and resid 82 and name HD2%) ASSI { 2371} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HN )) 3.300 1.300 1.300 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 4.372 ppm2 8.247 CV 1 ASSI { 2375} (( segid " " and resid 21 and name HB )) ( segid " " and resid 18 and name HB% ) 3.100 3.100 2.900 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.55359E-03 ppm1 4.383 ppm2 1.551 CV 1 ASSI { 2376} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 45 and name HD2%) 3.900 1.900 1.900 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.55042E-03 ppm1 6.759 ppm2 0.362 CV 1 ASSI { 2377} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 45 and name HD1%) 4.500 2.600 1.500 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.78273E-03 ppm1 6.759 ppm2 0.227 CV 1 ASSI { 2382} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.70320E-02 ppm1 6.816 ppm2 1.034 CV 1 ASSI { 2383} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 24 and name HG2%) 3.200 1.300 1.300 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 6.759 ppm2 1.258 CV 1 ASSI { 2388} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB1 )) 4.000 2.000 2.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.48520E-03 ppm1 6.761 ppm2 1.991 CV 1 ASSI { 2389} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB1 )) 3.300 1.300 1.300 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.83434E-03 ppm1 6.815 ppm2 1.903 CV 1 ASSI { 2390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HG11)) 4.200 2.200 1.800 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.71254E-03 ppm1 6.760 ppm2 1.835 CV 1 ASSI { 2392} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB1 )) 4.300 2.300 1.700 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.86542E-03 ppm1 6.816 ppm2 3.460 CV 1 ASSI { 2393} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD1 )) 3.100 1.200 1.200 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 6.817 ppm2 3.090 CV 1 ASSI { 2395} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB1 )) 4.600 2.600 1.400 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.53118E-03 ppm1 6.758 ppm2 3.019 CV 1 ASSI { 2396} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB2 )) 4.100 2.100 1.900 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.10275E-02 ppm1 6.815 ppm2 2.785 CV 1 ASSI { 2398} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HA )) 4.200 2.200 1.800 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.73143E-03 ppm1 6.817 ppm2 4.677 CV 1 ASSI { 2400} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HA )) 3.800 1.800 1.800 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 6.817 ppm2 4.538 CV 1 ASSI { 2402} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.14034E-02 ppm1 6.816 ppm2 4.315 CV 1 ASSI { 2406} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 17 and name HB2 )) 3.900 1.900 1.900 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.67385E-03 ppm1 6.762 ppm2 4.068 CV 1 ASSI { 2407} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HA )) 3.000 1.200 1.200 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.21575E-02 ppm1 6.760 ppm2 3.898 CV 1 ASSI { 2408} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 56 and name HD% ) 1.800 0.400 0.400 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.21097E-01 ppm1 6.816 ppm2 7.446 CV 1 ASSI { 2409} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HN )) 4.400 2.400 1.600 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.71086E-03 ppm1 6.816 ppm2 8.123 CV 1 ASSI { 2410} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) 3.600 1.700 1.700 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.87854E-03 ppm1 6.762 ppm2 8.468 CV 1 ASSI { 2419} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HB2 )) 3.300 1.400 1.400 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.44026E-03 ppm1 6.888 ppm2 1.709 CV 1 ASSI { 2420} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 71 and name HB1 )) 5.700 4.100 0.300 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.15598E-03 ppm1 6.896 ppm2 2.253 CV 1 ASSI { 2423} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 31 and name HD1%) 4.100 2.100 1.900 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.38728E-03 ppm1 7.338 ppm2 0.463 CV 1 ASSI { 2425} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 10 and name HD2%) 3.800 1.800 1.800 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.45540E-03 ppm1 7.352 ppm2 1.142 CV 1 ASSI { 2426} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB2 )) 3.500 1.600 1.600 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.71606E-03 ppm1 7.345 ppm2 2.050 CV 1 OR { 2426} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB1 )) ASSI { 2427} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HA )) 4.100 2.200 1.900 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.26973E-03 ppm1 7.342 ppm2 3.523 CV 1 ASSI { 2429} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 10 and name HG )) 3.900 1.900 1.900 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.39165E-03 ppm1 7.352 ppm2 1.896 CV 1 ASSI { 2430} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD1%) 3.500 1.500 1.500 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 7.219 ppm2 0.460 CV 1 ASSI { 2435} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 26 and name HD1%) 4.100 2.100 1.900 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.38649E-03 ppm1 7.214 ppm2 0.699 CV 1 ASSI { 2441} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD2%) 3.500 1.500 1.500 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.50018E-03 ppm1 6.975 ppm2 0.358 CV 1 ASSI { 2443} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 45 and name HD2%) 3.300 1.300 1.300 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.72382E-03 ppm1 6.929 ppm2 0.361 CV 1 ASSI { 2445} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) 3.300 1.400 1.400 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.12060E-02 ppm1 6.977 ppm2 0.772 CV 1 ASSI { 2450} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HG )) 3.400 1.500 1.500 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.48669E-03 ppm1 6.975 ppm2 1.341 CV 1 ASSI { 2451} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 24 and name HG2%) 4.300 2.300 1.700 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.24514E-03 ppm1 6.969 ppm2 1.256 CV 1 ASSI { 2453} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HG2 )) 4.500 2.500 1.500 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.74638E-03 ppm1 6.931 ppm2 1.318 CV 1 ASSI { 2454} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG2%) 2.900 1.100 1.100 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.17245E-02 ppm1 6.929 ppm2 1.215 CV 1 ASSI { 2460} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG11)) 2.300 0.600 0.600 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.23379E-02 ppm1 6.975 ppm2 1.830 CV 1 ASSI { 2462} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG11)) 4.700 2.800 1.300 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.36239E-03 ppm1 7.120 ppm2 1.831 CV 1 ASSI { 2463} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 74 and name HB2 )) 5.400 3.700 0.600 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.17244E-03 ppm1 7.120 ppm2 1.704 CV 1 ASSI { 2465} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB2 )) 3.700 1.800 1.800 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.79176E-03 ppm1 6.933 ppm2 1.701 CV 1 ASSI { 2472} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB1 )) 2.400 0.700 0.700 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.32797E-02 ppm1 6.976 ppm2 3.014 CV 1 ASSI { 2474} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HB2 )) 4.600 2.700 1.400 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.51617E-03 ppm1 6.929 ppm2 3.087 CV 1 ASSI { 2477} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HB1 )) 4.600 2.700 1.400 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.46205E-03 ppm1 6.932 ppm2 3.589 CV 1 ASSI { 2478} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HA )) 3.500 1.500 1.500 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.95659E-03 ppm1 6.976 ppm2 3.895 CV 1 ASSI { 2483} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HA )) 4.900 3.000 1.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.36672E-03 ppm1 7.116 ppm2 4.235 CV 1 ASSI { 2484} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HA )) 3.400 1.400 1.400 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.12669E-02 ppm1 6.933 ppm2 4.236 CV 1 ASSI { 2487} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 69 and name HA )) 4.000 2.000 2.000 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.33963E-03 ppm1 6.932 ppm2 5.266 CV 1 ASSI { 2489} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.32814E-03 ppm1 6.932 ppm2 7.474 CV 1 ASSI { 2491} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 41 and name HN )) 4.300 2.300 1.700 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.37700E-03 ppm1 6.974 ppm2 7.976 CV 1 ASSI { 2492} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HN )) 3.700 1.700 1.700 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.58483E-03 ppm1 6.974 ppm2 8.469 CV 1 ASSI { 2495} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) 3.100 1.200 1.200 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.33788E-02 ppm1 7.445 ppm2 1.018 CV 1 ASSI { 2501} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 52 and name HB2 )) 4.500 2.500 1.500 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.63414E-03 ppm1 7.448 ppm2 1.452 CV 1 ASSI { 2506} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 52 and name HB1 )) 3.700 1.700 1.700 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.25560E-03 ppm1 7.442 ppm2 2.209 CV 1 ASSI { 2519} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 29 and name HA )) 3.800 1.800 1.800 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.78845E-03 ppm1 7.308 ppm2 4.847 CV 1 ASSI { 2520} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HA )) 4.600 2.600 1.400 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.46398E-03 ppm1 7.314 ppm2 4.742 CV 1 ASSI { 2524} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HN )) 2.400 0.700 0.700 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.37859E-02 ppm1 7.310 ppm2 8.040 CV 1 ASSI { 2525} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HE% ) 4.300 2.400 1.700 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.27384E-03 ppm1 0.875 ppm2 6.807 CV 1 ASSI { 2526} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 81 and name HN )) 4.500 2.500 1.500 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.35933E-03 ppm1 0.873 ppm2 7.562 CV 1 ASSI { 2528} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HD21)) 4.400 2.500 1.600 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.30827E-03 ppm1 0.873 ppm2 7.330 CV 1 ASSI { 2529} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HN )) 4.500 2.500 1.500 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.44622E-03 ppm1 0.874 ppm2 9.425 CV 1 ASSI { 2530} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HN )) 2.500 0.800 0.800 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.52051E-02 ppm1 1.652 ppm2 8.115 CV 1 ASSI { 2531} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.300 0.700 0.700 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.89952E-02 ppm1 1.651 ppm2 8.233 CV 1 ASSI { 2536} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.700 2.800 1.300 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.34016E-03 ppm1 1.531 ppm2 0.223 CV 1 ASSI { 2539} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HB )) 4.800 2.900 1.200 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.44100E-03 ppm1 1.528 ppm2 4.425 CV 1 ASSI { 2546} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.35368E-02 ppm1 1.525 ppm2 8.467 CV 1 ASSI { 2548} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HN )) 4.800 2.900 1.200 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.39811E-03 ppm1 1.674 ppm2 7.981 CV 1 ASSI { 2553} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HN )) 2.300 0.600 0.600 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.76777E-02 ppm1 1.673 ppm2 7.707 CV 1 ASSI { 2554} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HN )) 2.200 0.600 0.600 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.10153E-01 ppm1 1.630 ppm2 7.588 CV 1 ASSI { 2555} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 59 and name HN )) 4.000 2.000 2.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.68753E-03 ppm1 1.627 ppm2 8.474 CV 1 ASSI { 2560} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 84 and name HN )) 2.800 2.800 3.200 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 1.569 ppm2 7.721 CV 1 ASSI { 2562} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 85 and name HN )) 4.800 2.900 1.200 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.49420E-03 ppm1 1.609 ppm2 7.844 CV 1 ASSI { 2563} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 56 and name HE% ) 5.500 3.800 0.500 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.39153E-03 ppm1 1.677 ppm2 6.811 CV 1 ASSI { 2564} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.200 1.200 1.200 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.14087E-02 ppm1 1.524 ppm2 6.759 CV 1 ASSI { 2565} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.24153E-02 ppm1 1.524 ppm2 6.973 CV 1 ASSI { 2566} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 35 and name HD% ) 5.300 3.600 0.700 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.17564E-03 ppm1 1.527 ppm2 7.103 CV 1 ASSI { 2569} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HB2 )) 4.000 2.000 2.000 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.59259E-03 ppm1 1.523 ppm2 4.060 CV 1 ASSI { 2574} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HD1%) 2.700 2.700 3.300 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.12899E-02 ppm1 1.391 ppm2 0.831 CV 1 ASSI { 2576} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HG11)) 4.300 2.300 1.700 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.91611E-03 ppm1 0.922 ppm2 1.453 CV 1 ASSI { 2577} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 5.100 3.200 0.900 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.71948E-03 ppm1 1.063 ppm2 6.965 CV 1 ASSI { 2578} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HE% ) 5.100 3.200 0.900 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.41933E-03 ppm1 1.064 ppm2 6.756 CV 1 ASSI { 2579} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 56 and name HE% ) 5.600 3.900 0.400 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.16394E-03 ppm1 0.922 ppm2 6.810 CV 1 ASSI { 2580} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HN )) 5.300 3.500 0.700 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.30164E-03 ppm1 0.921 ppm2 8.973 CV 1 ASSI { 2581} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HN )) 5.100 3.300 0.900 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.38357E-03 ppm1 1.056 ppm2 8.061 CV 1 ASSI { 2585} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HE% ) 5.100 3.300 0.900 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.34082E-03 ppm1 1.620 ppm2 6.816 CV 1 ASSI { 2589} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 5 and name HD1%) 4.300 2.300 1.700 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.52061E-03 ppm1 1.734 ppm2 0.617 CV 1 ASSI { 2590} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 5 and name HD1%) 4.600 2.600 1.400 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.55864E-03 ppm1 1.293 ppm2 0.617 CV 1 ASSI { 2591} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 31 and name HD1%) 5.200 3.400 0.800 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.41430E-03 ppm1 2.183 ppm2 0.461 CV 1 ASSI { 2592} (( segid " " and resid 75 and name HG )) ( segid " " and resid 31 and name HD1%) 5.000 3.200 1.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.29718E-03 ppm1 1.700 ppm2 0.454 CV 1 ASSI { 2594} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 1.600 0.300 0.600 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.16517E-01 ppm1 2.347 ppm2 2.208 CV 1 ASSI { 2604} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HG )) 2.700 0.900 0.900 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.29896E-02 ppm1 0.781 ppm2 1.205 CV 1 ASSI { 2605} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.23331E-02 ppm1 0.783 ppm2 1.047 CV 1 ASSI { 1} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) 2.300 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.88696E-02 ppm1 8.249 ppm2 4.064 CV 1 OR { 1} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 2} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 3.500 1.600 1.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.78242E-03 ppm1 8.250 ppm2 3.956 CV 1 ASSI { 4} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 4.100 2.100 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.45915E-03 ppm1 8.250 ppm2 4.563 CV 1 ASSI { 5} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 2.900 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 8.249 ppm2 1.547 CV 1 ASSI { 6} (( segid " " and resid 19 and name HN )) ( segid " " and resid 15 and name HG1%) 4.400 2.400 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.20063E-03 ppm1 8.250 ppm2 1.042 CV 1 ASSI { 7} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG11)) 3.700 1.700 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.70366E-03 ppm1 7.720 ppm2 1.830 CV 1 ASSI { 8} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG12)) 4.500 2.600 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.37834E-03 ppm1 7.722 ppm2 1.545 CV 1 ASSI { 9} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 4.200 2.200 1.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.61004E-03 ppm1 7.720 ppm2 2.468 CV 1 ASSI { 10} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.400 2.500 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.50320E-03 ppm1 7.722 ppm2 3.012 CV 1 ASSI { 14} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.16081E-02 ppm1 7.720 ppm2 4.670 CV 1 ASSI { 15} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD1%) 5.700 4.000 0.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25777E-03 ppm1 7.718 ppm2 0.880 CV 1 ASSI { 16} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 3.000 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.66650E-03 ppm1 7.721 ppm2 1.061 CV 1 ASSI { 17} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD2 )) 3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 7.329 ppm2 3.202 CV 1 OR { 17} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD1 )) ASSI { 18} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB2 )) 3.800 1.800 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.60800E-03 ppm1 7.330 ppm2 2.044 CV 1 OR { 18} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB1 )) ASSI { 19} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG1 )) 3.500 1.500 1.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.64511E-03 ppm1 7.329 ppm2 1.399 CV 1 ASSI { 21} (( segid " " and resid 11 and name HE )) (( segid " " and resid 8 and name HA )) 4.400 2.400 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.31445E-03 ppm1 7.327 ppm2 4.625 CV 1 ASSI { 22} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) 3.600 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.79539E-03 ppm1 7.328 ppm2 4.308 CV 1 ASSI { 23} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB2 )) 4.500 2.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.46048E-03 ppm1 9.078 ppm2 1.028 CV 1 ASSI { 24} (( segid " " and resid 72 and name HE )) ( segid " " and resid 31 and name HD2%) 4.700 2.800 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.22553E-03 ppm1 9.075 ppm2 0.776 CV 1 ASSI { 25} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 9.075 ppm2 1.637 CV 1 ASSI { 26} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HG2 )) 3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.60131E-03 ppm1 9.074 ppm2 1.520 CV 1 ASSI { 27} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB1 )) 3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10534E-02 ppm1 9.075 ppm2 1.868 CV 1 ASSI { 30} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH22)) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.31944E-02 ppm1 9.074 ppm2 6.899 CV 1 OR { 30} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH21)) OR { 30} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH11)) OR { 30} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH12)) ASSI { 31} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HB1 )) 5.100 3.300 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.31071E-03 ppm1 7.558 ppm2 2.195 CV 1 ASSI { 32} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HB2 )) 4.900 3.000 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.36418E-03 ppm1 7.557 ppm2 2.012 CV 1 ASSI { 33} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG2 )) 3.900 1.900 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.29660E-03 ppm1 7.559 ppm2 1.739 CV 1 ASSI { 34} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HG1 )) 3.500 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.46868E-03 ppm1 7.186 ppm2 1.374 CV 1 ASSI { 35} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HD1 )) 3.700 1.700 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.46257E-03 ppm1 7.184 ppm2 3.103 CV 1 ASSI { 39} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HB1 )) 5.200 3.400 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.16135E-03 ppm1 7.184 ppm2 1.898 CV 1 ASSI { 41} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG2 )) 3.800 1.800 1.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.39393E-03 ppm1 7.519 ppm2 1.692 CV 1 ASSI { 42} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB2 )) 4.600 2.600 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.27525E-03 ppm1 7.403 ppm2 1.858 CV 1 ASSI { 43} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG1 )) 3.500 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.69269E-03 ppm1 7.400 ppm2 1.759 CV 1 OR { 43} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG2 )) ASSI { 44} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HD2 )) 3.300 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.90253E-03 ppm1 8.007 ppm2 3.350 CV 1 ASSI { 45} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HD1 )) 3.600 1.600 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.57150E-03 ppm1 7.520 ppm2 3.378 CV 1 ASSI { 46} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HD2 )) 3.300 1.300 1.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 7.518 ppm2 3.312 CV 1 ASSI { 48} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB2 )) 3.800 1.800 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.61729E-03 ppm1 7.520 ppm2 2.029 CV 1 OR { 48} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB1 )) ASSI { 49} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG1 )) 3.900 1.900 1.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.40409E-03 ppm1 7.518 ppm2 1.922 CV 1 ASSI { 50} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB1 )) 4.400 2.400 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.33052E-03 ppm1 7.395 ppm2 2.082 CV 1 ASSI { 53} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB1 )) 4.000 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.54047E-03 ppm1 8.003 ppm2 2.177 CV 1 ASSI { 54} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG1 )) 3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.50176E-03 ppm1 8.006 ppm2 1.952 CV 1 ASSI { 55} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB2 )) 4.700 2.700 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.35719E-03 ppm1 8.011 ppm2 1.868 CV 1 ASSI { 58} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HB% ) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.32042E-02 ppm1 8.031 ppm2 1.394 CV 1 ASSI { 59} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HG1 )) 4.100 2.100 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.35063E-03 ppm1 8.034 ppm2 2.840 CV 1 ASSI { 60} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.700 1.800 1.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.38100E-03 ppm1 8.031 ppm2 2.748 CV 1 ASSI { 61} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB )) 4.500 2.600 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.53291E-03 ppm1 8.032 ppm2 2.197 CV 1 ASSI { 65} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 3.500 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.79294E-03 ppm1 8.031 ppm2 4.523 CV 1 ASSI { 67} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 2.600 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.31126E-02 ppm1 8.031 ppm2 7.481 CV 1 ASSI { 68} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.32184E-02 ppm1 8.030 ppm2 8.216 CV 1 ASSI { 69} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.50798E-03 ppm1 8.032 ppm2 7.392 CV 1 ASSI { 71} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.600 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.46060E-02 ppm1 7.721 ppm2 8.064 CV 1 ASSI { 72} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HN )) 3.900 1.900 1.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.78819E-03 ppm1 7.718 ppm2 7.549 CV 1 ASSI { 73} (( segid " " and resid 39 and name HN )) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.64583E-03 ppm1 7.721 ppm2 6.978 CV 1 ASSI { 75} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.500 1.500 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.15099E-02 ppm1 8.249 ppm2 8.481 CV 1 ASSI { 76} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) 3.000 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 7.675 ppm2 1.693 CV 1 ASSI { 78} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB2 )) 4.800 2.900 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.55267E-03 ppm1 7.676 ppm2 1.487 CV 1 ASSI { 79} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB2 )) 3.900 1.900 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.50398E-03 ppm1 7.676 ppm2 1.375 CV 1 ASSI { 82} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD1%) 2.800 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.18626E-02 ppm1 7.675 ppm2 0.796 CV 1 ASSI { 83} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG2%) 4.100 2.200 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.65001E-03 ppm1 7.477 ppm2 1.224 CV 1 ASSI { 84} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG1%) 4.100 2.100 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.12265E-02 ppm1 7.477 ppm2 1.121 CV 1 ASSI { 86} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 4.100 2.100 1.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.97098E-03 ppm1 7.476 ppm2 3.019 CV 1 ASSI { 89} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.700 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.26799E-02 ppm1 7.476 ppm2 2.475 CV 1 ASSI { 90} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.300 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 7.478 ppm2 2.276 CV 1 ASSI { 91} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) 3.500 1.500 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 7.330 ppm2 1.699 CV 1 ASSI { 93} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB2 )) 4.500 2.500 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.83525E-03 ppm1 7.331 ppm2 1.487 CV 1 ASSI { 97} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD1%) 3.300 1.400 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.22542E-02 ppm1 7.331 ppm2 0.796 CV 1 ASSI { 98} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB1 )) 3.000 1.100 1.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.12968E-02 ppm1 7.332 ppm2 3.089 CV 1 ASSI { 100} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HB1 )) 3.300 1.400 1.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.29241E-02 ppm1 7.676 ppm2 3.094 CV 1 ASSI { 102} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 76 and name HA )) 3.100 3.100 2.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.56170E-03 ppm1 7.675 ppm2 4.492 CV 1 ASSI { 104} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.600 1.700 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.40337E-03 ppm1 7.479 ppm2 4.966 CV 1 ASSI { 105} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.900 1.900 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.97262E-03 ppm1 7.478 ppm2 4.446 CV 1 ASSI { 108} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.54945E-02 ppm1 7.477 ppm2 9.097 CV 1 ASSI { 111} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HN )) 4.100 2.100 1.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.29887E-03 ppm1 7.331 ppm2 8.871 CV 1 ASSI { 112} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HA )) 5.200 3.400 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.19575E-03 ppm1 7.676 ppm2 4.368 CV 1 ASSI { 114} (( segid " " and resid 23 and name HN )) ( segid " " and resid 21 and name HG2%) 4.000 2.000 2.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.44033E-03 ppm1 8.496 ppm2 1.252 CV 1 ASSI { 115} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) 3.900 1.900 1.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.55660E-03 ppm1 7.970 ppm2 0.926 CV 1 ASSI { 116} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.400 1.500 1.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 8.496 ppm2 2.840 CV 1 OR { 116} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 117} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.600 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.68355E-03 ppm1 7.971 ppm2 2.785 CV 1 ASSI { 118} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) 2.400 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.98757E-02 ppm1 8.496 ppm2 4.077 CV 1 OR { 118} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) ASSI { 119} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.31133E-02 ppm1 8.496 ppm2 4.728 CV 1 ASSI { 121} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HN )) 4.000 2.000 2.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12898E-02 ppm1 8.496 ppm2 8.587 CV 1 ASSI { 122} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.400 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.39104E-02 ppm1 7.971 ppm2 8.126 CV 1 ASSI { 123} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 2.800 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.27776E-02 ppm1 7.968 ppm2 7.525 CV 1 ASSI { 126} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.500 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.75695E-03 ppm1 7.969 ppm2 4.381 CV 1 ASSI { 127} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.800 2.900 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.30913E-03 ppm1 7.972 ppm2 3.458 CV 1 ASSI { 129} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HG2%) 4.400 2.400 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.40240E-03 ppm1 8.423 ppm2 0.878 CV 1 ASSI { 131} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.600 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 8.423 ppm2 3.095 CV 1 ASSI { 132} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.83051E-03 ppm1 8.424 ppm2 2.772 CV 1 ASSI { 133} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 4.300 2.300 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.30033E-03 ppm1 8.426 ppm2 3.740 CV 1 ASSI { 135} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 8.422 ppm2 4.273 CV 1 ASSI { 136} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.400 1.400 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.96037E-03 ppm1 8.422 ppm2 4.910 CV 1 ASSI { 138} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB )) 5.200 3.400 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.21057E-03 ppm1 8.421 ppm2 1.934 CV 1 ASSI { 139} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.40796E-02 ppm1 8.423 ppm2 7.588 CV 1 ASSI { 140} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.26798E-02 ppm1 8.423 ppm2 8.882 CV 1 ASSI { 141} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.600 1.600 1.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 8.563 ppm2 4.045 CV 1 ASSI { 144} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.62189E-02 ppm1 8.563 ppm2 4.290 CV 1 ASSI { 148} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.900 1.900 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.35103E-03 ppm1 8.059 ppm2 1.033 CV 1 ASSI { 149} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD1%) 4.800 2.900 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.44041E-03 ppm1 8.049 ppm2 0.963 CV 1 ASSI { 150} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HG )) 3.700 1.700 1.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.91805E-03 ppm1 8.051 ppm2 1.780 CV 1 OR { 150} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 153} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.000 2.000 2.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.55747E-03 ppm1 8.060 ppm2 3.021 CV 1 ASSI { 154} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 4.200 2.200 1.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.25676E-03 ppm1 8.058 ppm2 3.321 CV 1 ASSI { 155} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.16117E-02 ppm1 8.051 ppm2 5.052 CV 1 ASSI { 156} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.500 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.44986E-02 ppm1 8.050 ppm2 7.211 CV 1 ASSI { 157} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.24576E-02 ppm1 8.049 ppm2 7.512 CV 1 ASSI { 160} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.100 2.100 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.29369E-03 ppm1 7.525 ppm2 2.511 CV 1 ASSI { 162} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG2 )) 4.500 2.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.35340E-03 ppm1 7.531 ppm2 2.329 CV 1 ASSI { 164} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.800 2.800 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.31382E-03 ppm1 7.527 ppm2 3.455 CV 1 ASSI { 167} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.17355E-02 ppm1 7.528 ppm2 4.691 CV 1 ASSI { 170} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 4.500 2.600 1.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.49085E-03 ppm1 7.524 ppm2 8.483 CV 1 ASSI { 171} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.800 2.900 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.74940E-03 ppm1 7.719 ppm2 0.876 CV 1 ASSI { 172} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.800 1.800 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10570E-02 ppm1 7.719 ppm2 2.465 CV 1 ASSI { 173} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG11)) 3.000 1.100 1.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.27902E-02 ppm1 7.720 ppm2 1.830 CV 1 ASSI { 174} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 2.100 0.600 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 7.720 ppm2 1.546 CV 1 ASSI { 175} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 2.900 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.23054E-02 ppm1 7.720 ppm2 1.063 CV 1 ASSI { 178} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.500 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.89008E-03 ppm1 7.718 ppm2 4.814 CV 1 ASSI { 179} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.22426E-02 ppm1 7.720 ppm2 4.669 CV 1 ASSI { 181} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA2 )) 5.100 3.200 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.38241E-03 ppm1 7.719 ppm2 3.881 CV 1 ASSI { 182} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.600 2.700 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.46483E-03 ppm1 8.044 ppm2 1.642 CV 1 ASSI { 183} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.42039E-02 ppm1 8.043 ppm2 4.386 CV 1 ASSI { 187} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.400 1.500 1.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18488E-02 ppm1 8.043 ppm2 2.514 CV 1 ASSI { 188} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.28772E-02 ppm1 8.041 ppm2 2.359 CV 1 ASSI { 189} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.36379E-02 ppm1 8.043 ppm2 8.977 CV 1 ASSI { 190} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HN )) 4.300 2.300 1.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.38331E-03 ppm1 7.721 ppm2 9.557 CV 1 ASSI { 192} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.400 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.38834E-02 ppm1 7.718 ppm2 7.560 CV 1 ASSI { 193} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.19361E-02 ppm1 8.128 ppm2 4.684 CV 1 ASSI { 196} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.400 0.700 0.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.30816E-02 ppm1 8.129 ppm2 2.789 CV 1 ASSI { 197} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 8.131 ppm2 1.901 CV 1 ASSI { 198} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.700 1.700 1.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.19444E-02 ppm1 8.129 ppm2 1.620 CV 1 ASSI { 200} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.27813E-02 ppm1 7.823 ppm2 4.568 CV 1 ASSI { 202} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.400 1.500 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.11782E-02 ppm1 7.824 ppm2 4.220 CV 1 ASSI { 203} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 2.600 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.29392E-02 ppm1 7.822 ppm2 4.149 CV 1 ASSI { 204} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.200 1.300 1.300 peak 204 spectrum 1 weight 0.10000E+01 volume 0.18329E-02 ppm1 7.823 ppm2 4.055 CV 1 ASSI { 205} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.600 1.600 1.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 7.823 ppm2 2.260 CV 1 ASSI { 206} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.200 1.300 1.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.86665E-03 ppm1 7.823 ppm2 2.147 CV 1 ASSI { 207} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HD% ) 2.500 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.27928E-02 ppm1 8.131 ppm2 7.442 CV 1 ASSI { 210} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG1 )) 4.700 2.700 1.300 peak 210 spectrum 1 weight 0.10000E+01 volume 0.50038E-03 ppm1 8.129 ppm2 1.373 CV 1 ASSI { 211} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.900 3.000 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.49964E-03 ppm1 7.822 ppm2 1.548 CV 1 ASSI { 212} (( segid " " and resid 17 and name HN )) ( segid " " and resid 48 and name HG2%) 4.100 2.100 1.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.34737E-03 ppm1 7.823 ppm2 1.127 CV 1 ASSI { 214} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 5.100 3.300 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.32202E-03 ppm1 7.821 ppm2 2.403 CV 1 ASSI { 216} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) 4.600 2.600 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.43921E-03 ppm1 8.247 ppm2 2.413 CV 1 OR { 216} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG1 )) ASSI { 217} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 8.249 ppm2 2.238 CV 1 ASSI { 218} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.400 2.400 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.66512E-03 ppm1 8.251 ppm2 2.078 CV 1 ASSI { 229} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.600 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.26498E-02 ppm1 8.927 ppm2 7.780 CV 1 ASSI { 230} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 4.000 2.000 2.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.46609E-03 ppm1 8.924 ppm2 8.172 CV 1 ASSI { 234} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB1 )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.23445E-03 ppm1 8.927 ppm2 1.876 CV 1 ASSI { 235} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.300 1.400 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.26507E-02 ppm1 9.037 ppm2 3.039 CV 1 ASSI { 237} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.600 1.600 1.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 9.036 ppm2 1.586 CV 1 OR { 237} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 241} (( segid " " and resid 6 and name HN )) (( segid " " and resid 10 and name HN )) 4.200 2.200 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.41209E-03 ppm1 9.036 ppm2 8.073 CV 1 ASSI { 243} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.500 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.74225E-03 ppm1 9.039 ppm2 4.774 CV 1 ASSI { 246} (( segid " " and resid 68 and name HN )) ( segid " " and resid 45 and name HD2%) 5.600 4.000 0.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.27303E-03 ppm1 7.302 ppm2 0.360 CV 1 ASSI { 247} (( segid " " and resid 68 and name HN )) ( segid " " and resid 45 and name HD1%) 4.800 2.800 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.53383E-03 ppm1 7.303 ppm2 0.229 CV 1 ASSI { 248} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 3.300 1.400 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.24058E-02 ppm1 7.303 ppm2 2.410 CV 1 ASSI { 249} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.600 1.600 1.600 peak 249 spectrum 1 weight 0.10000E+01 volume 0.50838E-03 ppm1 7.303 ppm2 2.082 CV 1 ASSI { 250} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.69718E-03 ppm1 7.301 ppm2 1.860 CV 1 ASSI { 251} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) 4.100 2.100 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.51056E-03 ppm1 7.305 ppm2 1.758 CV 1 OR { 251} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG2 )) ASSI { 255} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HA )) 3.800 1.800 1.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.54123E-03 ppm1 7.304 ppm2 3.988 CV 1 ASSI { 256} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.22395E-02 ppm1 7.303 ppm2 4.625 CV 1 ASSI { 258} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HN )) 4.300 2.300 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.97696E-03 ppm1 7.304 ppm2 8.031 CV 1 ASSI { 259} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 4.400 2.400 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.56140E-03 ppm1 7.303 ppm2 9.096 CV 1 ASSI { 260} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 2.200 0.600 0.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.47756E-02 ppm1 8.843 ppm2 4.854 CV 1 ASSI { 262} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.900 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.27539E-02 ppm1 8.841 ppm2 4.321 CV 1 ASSI { 263} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.28662E-02 ppm1 8.842 ppm2 3.872 CV 1 ASSI { 265} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD2%) 3.900 1.900 1.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.45875E-03 ppm1 8.840 ppm2 0.883 CV 1 ASSI { 267} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.000 1.100 1.100 peak 267 spectrum 1 weight 0.10000E+01 volume 0.27035E-02 ppm1 8.235 ppm2 3.983 CV 1 ASSI { 268} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.700 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.65920E-03 ppm1 8.234 ppm2 1.455 CV 1 ASSI { 269} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.900 1.900 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.54915E-03 ppm1 8.237 ppm2 1.240 CV 1 ASSI { 271} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.34150E-02 ppm1 8.235 ppm2 4.361 CV 1 ASSI { 274} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.94250E-03 ppm1 7.979 ppm2 3.525 CV 1 ASSI { 276} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.500 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.31622E-02 ppm1 7.979 ppm2 1.925 CV 1 ASSI { 278} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.800 2.900 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.42650E-03 ppm1 7.975 ppm2 1.408 CV 1 ASSI { 280} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 3.300 1.400 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 7.979 ppm2 4.551 CV 1 ASSI { 281} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 4.400 2.400 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.73194E-03 ppm1 8.234 ppm2 4.713 CV 1 ASSI { 282} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.20678E-02 ppm1 8.841 ppm2 8.250 CV 1 ASSI { 283} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 3.600 1.700 1.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.27538E-02 ppm1 8.236 ppm2 8.561 CV 1 ASSI { 284} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.600 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.38814E-02 ppm1 8.235 ppm2 8.466 CV 1 ASSI { 285} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.29556E-02 ppm1 7.979 ppm2 8.841 CV 1 ASSI { 286} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.46763E-02 ppm1 7.979 ppm2 7.708 CV 1 ASSI { 289} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 3.500 1.500 1.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.27431E-03 ppm1 8.235 ppm2 0.808 CV 1 ASSI { 290} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD2 )) 5.000 3.100 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.31505E-03 ppm1 7.982 ppm2 3.316 CV 1 ASSI { 291} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD2 )) 4.200 2.200 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.40109E-03 ppm1 7.980 ppm2 3.205 CV 1 OR { 291} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD1 )) ASSI { 292} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) 4.300 2.400 1.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.30413E-03 ppm1 7.979 ppm2 4.216 CV 1 ASSI { 304} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.30345E-02 ppm1 8.138 ppm2 8.491 CV 1 ASSI { 311} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.800 1.800 1.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.16415E-02 ppm1 8.462 ppm2 2.185 CV 1 ASSI { 312} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) 3.300 1.400 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.28183E-02 ppm1 8.463 ppm2 1.946 CV 1 ASSI { 313} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.500 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.28739E-02 ppm1 8.462 ppm2 1.857 CV 1 ASSI { 314} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.600 1.600 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.14555E-02 ppm1 8.463 ppm2 1.772 CV 1 OR { 314} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG )) ASSI { 315} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 2.900 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.16750E-02 ppm1 8.463 ppm2 1.626 CV 1 ASSI { 316} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.800 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.19186E-02 ppm1 8.463 ppm2 1.411 CV 1 ASSI { 319} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.600 1.700 1.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.69570E-03 ppm1 8.463 ppm2 3.095 CV 1 ASSI { 320} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.800 1.800 1.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.51045E-03 ppm1 8.463 ppm2 2.991 CV 1 ASSI { 324} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.400 1.400 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.83071E-03 ppm1 8.463 ppm2 4.737 CV 1 ASSI { 325} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 8.486 ppm2 4.843 CV 1 ASSI { 327} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.600 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.33477E-02 ppm1 8.626 ppm2 7.405 CV 1 ASSI { 328} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.900 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.21435E-02 ppm1 8.627 ppm2 8.820 CV 1 ASSI { 329} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD1 )) 4.600 2.600 1.400 peak 329 spectrum 1 weight 0.10000E+01 volume 0.37930E-03 ppm1 8.464 ppm2 3.454 CV 1 ASSI { 330} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD2 )) 4.700 2.800 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.47592E-03 ppm1 8.462 ppm2 3.352 CV 1 ASSI { 332} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG2%) 4.800 2.800 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.46769E-03 ppm1 8.626 ppm2 1.037 CV 1 ASSI { 333} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.700 1.700 1.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.26706E-02 ppm1 7.841 ppm2 2.645 CV 1 ASSI { 334} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.600 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.34597E-02 ppm1 7.840 ppm2 2.481 CV 1 ASSI { 335} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.20963E-02 ppm1 7.840 ppm2 2.277 CV 1 ASSI { 336} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.900 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.20011E-02 ppm1 7.483 ppm2 2.081 CV 1 ASSI { 337} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.600 0.900 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.36187E-02 ppm1 7.483 ppm2 1.862 CV 1 ASSI { 338} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.200 1.300 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.28235E-02 ppm1 7.483 ppm2 1.761 CV 1 OR { 338} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 339} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 3.200 1.300 1.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.47574E-03 ppm1 7.479 ppm2 1.392 CV 1 ASSI { 341} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG1%) 4.600 2.600 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.69866E-03 ppm1 7.482 ppm2 1.135 CV 1 ASSI { 343} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD1 )) 4.900 3.000 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.35839E-03 ppm1 7.482 ppm2 3.266 CV 1 OR { 343} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD2 )) ASSI { 344} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.700 1.700 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 7.841 ppm2 1.608 CV 1 ASSI { 345} (( segid " " and resid 73 and name HN )) ( segid " " and resid 68 and name HG1%) 4.900 3.000 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.47254E-03 ppm1 7.838 ppm2 1.118 CV 1 ASSI { 346} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.31081E-02 ppm1 7.846 ppm2 4.242 CV 1 ASSI { 348} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.28041E-02 ppm1 7.484 ppm2 4.628 CV 1 ASSI { 349} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA1 )) 3.300 1.400 1.400 peak 349 spectrum 1 weight 0.10000E+01 volume 0.12849E-02 ppm1 7.484 ppm2 4.117 CV 1 ASSI { 350} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 3.500 1.500 1.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.74026E-03 ppm1 7.482 ppm2 3.988 CV 1 ASSI { 351} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.000 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.15469E-02 ppm1 7.482 ppm2 3.884 CV 1 ASSI { 352} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 2.100 0.500 0.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.63199E-02 ppm1 7.483 ppm2 7.303 CV 1 ASSI { 355} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 3.500 1.500 1.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.80116E-03 ppm1 7.840 ppm2 7.487 CV 1 ASSI { 356} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.38618E-02 ppm1 7.840 ppm2 7.729 CV 1 ASSI { 359} (( segid " " and resid 59 and name HN )) ( segid " " and resid 77 and name HD2%) 4.000 2.000 2.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.484 ppm2 0.948 CV 1 OR { 359} (( segid " " and resid 59 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 362} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.32592E-02 ppm1 7.753 ppm2 7.955 CV 1 ASSI { 363} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.50057E-02 ppm1 7.752 ppm2 7.843 CV 1 ASSI { 367} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 3.700 1.700 1.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 7.752 ppm2 2.545 CV 1 ASSI { 370} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.500 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.45863E-02 ppm1 7.752 ppm2 2.130 CV 1 ASSI { 371} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HB% ) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 7.752 ppm2 1.609 CV 1 ASSI { 376} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.38584E-02 ppm1 9.558 ppm2 2.260 CV 1 ASSI { 377} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.36563E-02 ppm1 9.557 ppm2 2.147 CV 1 ASSI { 378} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.800 2.900 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.49625E-03 ppm1 9.558 ppm2 1.952 CV 1 ASSI { 379} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.89146E-03 ppm1 9.557 ppm2 1.861 CV 1 ASSI { 383} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.19648E-02 ppm1 9.557 ppm2 8.472 CV 1 ASSI { 385} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.25789E-02 ppm1 9.558 ppm2 7.560 CV 1 ASSI { 386} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HD% ) 4.500 2.600 1.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.52245E-03 ppm1 9.557 ppm2 7.117 CV 1 ASSI { 388} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HG2 )) 5.300 3.500 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.37378E-03 ppm1 9.557 ppm2 1.628 CV 1 ASSI { 390} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.600 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.30003E-02 ppm1 8.999 ppm2 1.866 CV 1 ASSI { 392} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.23654E-02 ppm1 8.882 ppm2 0.876 CV 1 ASSI { 393} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB )) 2.300 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.41803E-02 ppm1 8.882 ppm2 1.941 CV 1 ASSI { 394} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.800 1.800 1.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 8.700 ppm2 1.550 CV 1 ASSI { 395} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31462E-02 ppm1 8.697 ppm2 2.196 CV 1 ASSI { 396} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.000 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.46862E-02 ppm1 8.882 ppm2 3.094 CV 1 ASSI { 397} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.500 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.28786E-02 ppm1 8.882 ppm2 2.773 CV 1 ASSI { 398} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.35778E-02 ppm1 8.698 ppm2 2.782 CV 1 ASSI { 399} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.66099E-03 ppm1 8.882 ppm2 3.898 CV 1 ASSI { 400} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.90059E-03 ppm1 8.881 ppm2 3.747 CV 1 ASSI { 403} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.600 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28775E-02 ppm1 8.882 ppm2 4.910 CV 1 ASSI { 404} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB )) 3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.12050E-02 ppm1 8.999 ppm2 4.627 CV 1 ASSI { 405} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.400 1.400 1.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.11058E-02 ppm1 8.882 ppm2 4.489 CV 1 ASSI { 406} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.500 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.90381E-03 ppm1 8.697 ppm2 3.894 CV 1 ASSI { 408} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.29132E-02 ppm1 8.671 ppm2 4.285 CV 1 ASSI { 409} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.500 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.670 ppm2 4.186 CV 1 ASSI { 410} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HB% ) 3.600 1.600 1.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 8.676 ppm2 1.651 CV 1 ASSI { 412} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.43550E-02 ppm1 8.881 ppm2 8.276 CV 1 ASSI { 413} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.19448E-02 ppm1 8.997 ppm2 7.842 CV 1 ASSI { 414} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HD22)) 3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.99176E-03 ppm1 8.881 ppm2 7.678 CV 1 ASSI { 416} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.600 1.600 1.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.62367E-03 ppm1 8.676 ppm2 4.385 CV 1 ASSI { 421} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.900 1.900 1.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.52602E-03 ppm1 8.695 ppm2 3.610 CV 1 ASSI { 423} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD1%) 4.900 3.000 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.39282E-03 ppm1 8.696 ppm2 0.794 CV 1 ASSI { 425} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.500 2.500 1.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.82025E-03 ppm1 8.995 ppm2 1.030 CV 1 ASSI { 426} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG11)) 4.300 2.300 1.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.71438E-03 ppm1 8.882 ppm2 1.721 CV 1 ASSI { 431} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG12)) 5.400 3.600 0.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.36058E-03 ppm1 8.880 ppm2 1.285 CV 1 ASSI { 432} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD2%) 4.500 2.600 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.36425E-03 ppm1 8.995 ppm2 0.777 CV 1 ASSI { 433} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 8.999 ppm2 2.019 CV 1 ASSI { 435} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.22300E-02 ppm1 7.563 ppm2 4.814 CV 1 ASSI { 437} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.39732E-02 ppm1 7.562 ppm2 3.095 CV 1 ASSI { 438} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.28938E-02 ppm1 7.563 ppm2 2.998 CV 1 ASSI { 440} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.400 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.98038E-03 ppm1 7.561 ppm2 2.258 CV 1 ASSI { 442} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.700 2.800 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.54986E-03 ppm1 7.561 ppm2 1.945 CV 1 ASSI { 443} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.17940E-02 ppm1 7.563 ppm2 1.858 CV 1 ASSI { 444} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG12)) 4.100 2.100 1.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.59223E-03 ppm1 7.561 ppm2 1.548 CV 1 ASSI { 453} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) 4.000 2.000 2.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.12537E-02 ppm1 8.402 ppm2 0.777 CV 1 ASSI { 454} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HB% ) 2.600 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.36849E-02 ppm1 8.402 ppm2 1.674 CV 1 ASSI { 458} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 8.324 ppm2 2.348 CV 1 ASSI { 459} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.900 1.900 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.15749E-02 ppm1 8.323 ppm2 2.206 CV 1 ASSI { 463} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 4.400 2.400 1.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.26541E-03 ppm1 8.401 ppm2 4.034 CV 1 ASSI { 465} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 3.000 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.18193E-02 ppm1 8.323 ppm2 3.965 CV 1 ASSI { 466} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 8.323 ppm2 3.889 CV 1 ASSI { 468} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.37754E-02 ppm1 8.323 ppm2 4.418 CV 1 ASSI { 469} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HA )) 3.700 1.800 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.81438E-03 ppm1 8.323 ppm2 4.313 CV 1 ASSI { 470} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 470 spectrum 1 weight 0.10000E+01 volume 0.14433E-02 ppm1 8.322 ppm2 4.234 CV 1 ASSI { 471} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.500 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.44224E-02 ppm1 8.402 ppm2 7.708 CV 1 ASSI { 472} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.44346E-02 ppm1 8.323 ppm2 8.512 CV 1 ASSI { 473} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.600 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.40323E-02 ppm1 8.323 ppm2 8.763 CV 1 ASSI { 475} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.53536E-02 ppm1 7.407 ppm2 8.223 CV 1 ASSI { 477} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.200 2.200 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.80927E-03 ppm1 7.509 ppm2 4.847 CV 1 ASSI { 478} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 3.900 1.900 1.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.34756E-03 ppm1 7.510 ppm2 4.741 CV 1 ASSI { 486} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.500 1.600 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.77502E-03 ppm1 7.407 ppm2 2.841 CV 1 ASSI { 490} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 7.407 ppm2 2.067 CV 1 ASSI { 491} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HB% ) 4.100 2.100 1.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.88548E-03 ppm1 7.406 ppm2 1.394 CV 1 ASSI { 496} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD2%) 3.300 1.400 1.400 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13918E-02 ppm1 7.511 ppm2 0.787 CV 1 ASSI { 499} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 4.500 2.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.45807E-03 ppm1 8.323 ppm2 2.613 CV 1 ASSI { 500} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.300 1.400 1.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.31470E-02 ppm1 8.977 ppm2 2.515 CV 1 ASSI { 501} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.300 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.52046E-02 ppm1 8.977 ppm2 2.350 CV 1 ASSI { 502} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.200 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.27832E-02 ppm1 8.977 ppm2 2.217 CV 1 ASSI { 503} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG )) 4.100 2.100 1.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.82382E-03 ppm1 8.978 ppm2 2.042 CV 1 ASSI { 505} (( segid " " and resid 53 and name HN )) ( segid " " and resid 49 and name HB% ) 4.200 2.200 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.43135E-03 ppm1 8.976 ppm2 1.532 CV 1 ASSI { 506} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.14456E-02 ppm1 8.977 ppm2 1.455 CV 1 ASSI { 512} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.71611E-03 ppm1 8.976 ppm2 3.956 CV 1 ASSI { 513} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.42477E-02 ppm1 8.976 ppm2 2.764 CV 1 ASSI { 515} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.41303E-02 ppm1 8.977 ppm2 8.414 CV 1 ASSI { 516} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.300 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.58738E-02 ppm1 8.237 ppm2 8.501 CV 1 ASSI { 522} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.500 1.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.23424E-02 ppm1 8.237 ppm2 2.761 CV 1 ASSI { 527} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG )) 4.100 2.100 1.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.94781E-03 ppm1 8.237 ppm2 1.349 CV 1 ASSI { 528} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD2%) 5.100 3.200 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.40822E-03 ppm1 8.239 ppm2 0.360 CV 1 ASSI { 529} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 5.200 3.400 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.34660E-03 ppm1 8.239 ppm2 0.228 CV 1 ASSI { 532} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HN )) 3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.72250E-03 ppm1 8.977 ppm2 8.232 CV 1 ASSI { 535} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.300 0.600 0.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.74230E-02 ppm1 8.841 ppm2 2.049 CV 1 OR { 535} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 536} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.600 1.600 1.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.98528E-03 ppm1 8.839 ppm2 1.895 CV 1 ASSI { 541} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.300 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.13295E-02 ppm1 8.840 ppm2 4.628 CV 1 ASSI { 542} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.700 1.700 1.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.67339E-03 ppm1 8.841 ppm2 4.213 CV 1 ASSI { 543} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 3.900 1.900 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.51357E-03 ppm1 8.841 ppm2 3.873 CV 1 ASSI { 545} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.700 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.43950E-02 ppm1 8.115 ppm2 2.202 CV 1 ASSI { 547} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG2 )) 3.800 1.800 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 8.116 ppm2 1.743 CV 1 ASSI { 552} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG1%) 4.100 2.100 1.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 8.456 ppm2 1.035 CV 1 ASSI { 555} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.900 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18290E-02 ppm1 8.455 ppm2 1.986 CV 1 ASSI { 556} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.40826E-02 ppm1 8.841 ppm2 8.073 CV 1 ASSI { 558} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.51709E-03 ppm1 8.839 ppm2 7.887 CV 1 ASSI { 560} (( segid " " and resid 11 and name HN )) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.73015E-03 ppm1 8.843 ppm2 7.222 CV 1 ASSI { 567} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.600 1.600 1.600 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10639E-02 ppm1 7.709 ppm2 1.918 CV 1 ASSI { 571} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.600 1.600 1.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.86129E-03 ppm1 7.889 ppm2 4.628 CV 1 ASSI { 572} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.900 1.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.24219E-02 ppm1 7.890 ppm2 4.553 CV 1 ASSI { 573} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.35445E-02 ppm1 7.889 ppm2 3.039 CV 1 ASSI { 579} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.800 1.800 1.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 8.277 ppm2 0.798 CV 1 ASSI { 580} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG12)) 3.400 1.400 1.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.27080E-02 ppm1 8.277 ppm2 1.292 CV 1 ASSI { 584} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG11)) 2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.46172E-02 ppm1 8.278 ppm2 1.731 CV 1 ASSI { 587} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) 3.000 1.100 1.100 peak 587 spectrum 1 weight 0.10000E+01 volume 0.21401E-02 ppm1 8.220 ppm2 2.384 CV 1 ASSI { 591} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) 2.700 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.30843E-02 ppm1 8.221 ppm2 2.624 CV 1 ASSI { 593} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.100 1.200 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.11162E-02 ppm1 8.275 ppm2 3.895 CV 1 ASSI { 598} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB )) 3.300 1.300 1.300 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 8.250 ppm2 4.853 CV 1 ASSI { 599} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 3.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 8.252 ppm2 4.625 CV 1 ASSI { 604} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.41254E-02 ppm1 8.280 ppm2 7.589 CV 1 ASSI { 609} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.38605E-02 ppm1 8.116 ppm2 8.412 CV 1 ASSI { 611} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 7.889 ppm2 8.070 CV 1 ASSI { 612} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.24987E-02 ppm1 7.889 ppm2 8.250 CV 1 ASSI { 615} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 3.300 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 7.888 ppm2 9.034 CV 1 ASSI { 621} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.23359E-03 ppm1 8.454 ppm2 3.522 CV 1 ASSI { 622} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.14125E-02 ppm1 8.455 ppm2 1.446 CV 1 ASSI { 624} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 8.114 ppm2 8.227 CV 1 ASSI { 625} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.40402E-02 ppm1 7.714 ppm2 8.728 CV 1 ASSI { 640} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD2%) 3.700 1.700 1.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.14270E-02 ppm1 8.416 ppm2 1.042 CV 1 ASSI { 642} (( segid " " and resid 52 and name HN )) ( segid " " and resid 13 and name HB% ) 3.900 1.900 1.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.87446E-03 ppm1 8.415 ppm2 1.655 CV 1 ASSI { 646} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.900 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.22424E-02 ppm1 8.480 ppm2 2.074 CV 1 ASSI { 649} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.33176E-02 ppm1 8.514 ppm2 2.209 CV 1 ASSI { 653} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.45581E-02 ppm1 8.482 ppm2 4.066 CV 1 OR { 653} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) ASSI { 668} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.500 1.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.99717E-03 ppm1 8.082 ppm2 4.385 CV 1 ASSI { 669} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 8.083 ppm2 4.304 CV 1 ASSI { 676} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 31 and name HD2%) 2.900 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.83209E-03 ppm1 6.890 ppm2 0.775 CV 1 OR { 676} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 31 and name HD2%) OR { 676} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 31 and name HD2%) ASSI { 678} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) 4.300 2.300 1.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.74261E-03 ppm1 6.893 ppm2 1.516 CV 1 ASSI { 686} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 4.800 2.900 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.68365E-03 ppm1 8.735 ppm2 0.881 CV 1 ASSI { 687} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) 4.300 2.300 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.10340E-02 ppm1 8.732 ppm2 0.794 CV 1 ASSI { 689} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 689 spectrum 1 weight 0.10000E+01 volume 0.41142E-02 ppm1 8.734 ppm2 1.548 CV 1 ASSI { 690} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.39520E-02 ppm1 8.734 ppm2 2.197 CV 1 ASSI { 691} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.25551E-02 ppm1 8.734 ppm2 2.425 CV 1 ASSI { 693} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 3.100 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.45757E-02 ppm1 8.467 ppm2 1.630 CV 1 ASSI { 696} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 4.100 2.100 1.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.82520E-03 ppm1 8.467 ppm2 0.359 CV 1 ASSI { 697} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 4.400 2.400 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.79569E-03 ppm1 8.466 ppm2 0.228 CV 1 ASSI { 701} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD1%) 2.700 2.700 3.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12299E-02 ppm1 7.963 ppm2 0.984 CV 1 OR { 701} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 705} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD2%) 3.800 1.800 1.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.78028E-03 ppm1 8.070 ppm2 0.638 CV 1 ASSI { 708} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.600 1.600 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.17625E-02 ppm1 7.963 ppm2 2.013 CV 1 ASSI { 709} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.37235E-02 ppm1 8.072 ppm2 2.337 CV 1 ASSI { 711} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.19756E-02 ppm1 8.071 ppm2 2.705 CV 1 ASSI { 714} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.27869E-02 ppm1 8.071 ppm2 4.216 CV 1 ASSI { 717} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 3.500 1.500 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.92203E-03 ppm1 7.957 ppm2 4.207 CV 1 ASSI { 719} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.43499E-02 ppm1 7.962 ppm2 8.279 CV 1 ASSI { 723} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.29823E-02 ppm1 8.467 ppm2 8.240 CV 1 ASSI { 724} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.44337E-02 ppm1 8.467 ppm2 8.161 CV 1 ASSI { 729} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.400 1.500 1.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.81703E-03 ppm1 8.733 ppm2 3.610 CV 1 ASSI { 732} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.700 2.800 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.47394E-03 ppm1 8.071 ppm2 2.057 CV 1 OR { 732} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 735} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HG2 )) 5.300 3.500 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.44707E-03 ppm1 8.465 ppm2 2.784 CV 1 ASSI { 736} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG11)) 3.200 1.300 1.300 peak 736 spectrum 1 weight 0.10000E+01 volume 0.98140E-03 ppm1 8.068 ppm2 1.827 CV 1 ASSI { 740} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 3.200 1.300 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 8.067 ppm2 6.977 CV 1 ASSI { 742} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.100 1.200 1.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 8.495 ppm2 4.732 CV 1 ASSI { 744} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB )) 3.300 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 8.495 ppm2 4.372 CV 1 ASSI { 745} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.48715E-02 ppm1 8.495 ppm2 2.840 CV 1 OR { 745} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 746} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 3.900 1.900 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.76650E-03 ppm1 8.494 ppm2 1.250 CV 1 ASSI { 747} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.32684E-02 ppm1 8.223 ppm2 0.994 CV 1 ASSI { 748} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HB% ) 2.200 0.600 0.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.84204E-02 ppm1 8.223 ppm2 1.393 CV 1 ASSI { 749} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 3.500 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.70473E-03 ppm1 8.222 ppm2 4.451 CV 1 ASSI { 752} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB )) 2.400 0.700 0.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.36413E-02 ppm1 8.222 ppm2 2.211 CV 1 ASSI { 753} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.100 0.600 0.600 peak 753 spectrum 1 weight 0.10000E+01 volume 0.81060E-02 ppm1 8.042 ppm2 4.850 CV 1 ASSI { 754} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.14373E-02 ppm1 8.041 ppm2 4.750 CV 1 ASSI { 756} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.400 1.400 1.400 peak 756 spectrum 1 weight 0.10000E+01 volume 0.19654E-02 ppm1 8.037 ppm2 3.018 CV 1 ASSI { 757} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.100 2.100 1.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.74000E-03 ppm1 8.040 ppm2 2.898 CV 1 ASSI { 758} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 758 spectrum 1 weight 0.10000E+01 volume 0.72663E-03 ppm1 8.222 ppm2 7.496 CV 1 ASSI { 761} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.200 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.56043E-02 ppm1 8.041 ppm2 7.510 CV 1 ASSI { 765} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.700 2.800 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.46263E-03 ppm1 8.044 ppm2 2.666 CV 1 ASSI { 766} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HG )) 4.200 2.200 1.800 peak 766 spectrum 1 weight 0.10000E+01 volume 0.56686E-03 ppm1 8.044 ppm2 1.210 CV 1 ASSI { 768} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB1 )) 5.800 4.200 0.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.35533E-03 ppm1 8.036 ppm2 1.632 CV 1 ASSI { 771} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 2.100 0.600 0.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.88798E-02 ppm1 7.213 ppm2 1.781 CV 1 OR { 771} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 772} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.24804E-02 ppm1 7.212 ppm2 1.413 CV 1 ASSI { 774} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.300 1.300 1.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.20980E-02 ppm1 7.213 ppm2 0.961 CV 1 ASSI { 775} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.900 1.900 1.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.66139E-03 ppm1 7.213 ppm2 2.359 CV 1 ASSI { 777} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.93939E-03 ppm1 7.213 ppm2 4.031 CV 1 ASSI { 780} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.200 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 7.213 ppm2 5.051 CV 1 ASSI { 781} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 4.100 2.100 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.70968E-03 ppm1 7.211 ppm2 4.739 CV 1 ASSI { 783} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 4.500 2.600 1.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.45666E-03 ppm1 7.213 ppm2 8.461 CV 1 ASSI { 784} (( segid " " and resid 33 and name HN )) (( segid " " and resid 70 and name HB )) 3.900 1.900 1.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.43549E-03 ppm1 7.213 ppm2 4.635 CV 1 ASSI { 787} (( segid " " and resid 77 and name HN )) ( segid " " and resid 74 and name HD2%) 4.100 2.100 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.63597E-03 ppm1 8.014 ppm2 1.063 CV 1 ASSI { 789} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.400 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.50812E-02 ppm1 8.014 ppm2 2.038 CV 1 ASSI { 792} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.000 1.100 1.100 peak 792 spectrum 1 weight 0.10000E+01 volume 0.17489E-02 ppm1 8.015 ppm2 2.780 CV 1 ASSI { 793} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.400 1.500 1.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.11023E-02 ppm1 8.014 ppm2 4.485 CV 1 ASSI { 795} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.39198E-02 ppm1 8.012 ppm2 8.277 CV 1 ASSI { 796} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 2.500 0.800 0.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.35083E-02 ppm1 8.012 ppm2 8.701 CV 1 ASSI { 797} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.800 1.800 1.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.90320E-03 ppm1 8.823 ppm2 2.064 CV 1 ASSI { 804} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.100 1.200 1.200 peak 804 spectrum 1 weight 0.10000E+01 volume 0.33455E-02 ppm1 8.610 ppm2 2.884 CV 1 ASSI { 805} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.31666E-02 ppm1 8.610 ppm2 2.762 CV 1 ASSI { 807} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.100 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.33701E-02 ppm1 8.670 ppm2 2.896 CV 1 ASSI { 808} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.40697E-02 ppm1 8.670 ppm2 2.672 CV 1 ASSI { 810} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.800 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.60560E-02 ppm1 8.670 ppm2 3.875 CV 1 ASSI { 811} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.18776E-02 ppm1 8.610 ppm2 4.715 CV 1 ASSI { 819} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.900 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.25005E-02 ppm1 8.670 ppm2 4.849 CV 1 ASSI { 820} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 3.200 1.300 1.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.25557E-02 ppm1 8.463 ppm2 1.579 CV 1 ASSI { 821} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.000 1.100 1.100 peak 821 spectrum 1 weight 0.10000E+01 volume 0.33900E-02 ppm1 8.464 ppm2 1.457 CV 1 ASSI { 822} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.900 1.100 1.100 peak 822 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 8.464 ppm2 1.254 CV 1 ASSI { 825} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.900 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.12309E-02 ppm1 8.477 ppm2 2.178 CV 1 ASSI { 826} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.800 2.900 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.68350E-03 ppm1 8.475 ppm2 1.947 CV 1 ASSI { 827} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.400 2.400 1.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.52342E-03 ppm1 8.476 ppm2 1.855 CV 1 ASSI { 828} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG2 )) 4.700 2.800 1.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.61137E-03 ppm1 8.477 ppm2 1.627 CV 1 ASSI { 831} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.31449E-02 ppm1 8.463 ppm2 4.366 CV 1 ASSI { 833} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 2.300 0.600 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.92831E-02 ppm1 8.164 ppm2 1.526 CV 1 ASSI { 834} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.32970E-02 ppm1 8.164 ppm2 1.856 CV 1 OR { 834} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 836} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.600 0.900 0.900 peak 836 spectrum 1 weight 0.10000E+01 volume 0.42625E-02 ppm1 8.163 ppm2 4.306 CV 1 ASSI { 837} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HB% ) 2.600 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.42574E-02 ppm1 7.977 ppm2 1.527 CV 1 ASSI { 838} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.300 0.700 0.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.82438E-02 ppm1 7.840 ppm2 1.548 CV 1 ASSI { 843} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.200 1.300 1.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 7.840 ppm2 4.566 CV 1 ASSI { 844} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.34919E-02 ppm1 7.840 ppm2 4.378 CV 1 ASSI { 846} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.200 1.200 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.13299E-02 ppm1 7.840 ppm2 4.147 CV 1 ASSI { 848} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 848 spectrum 1 weight 0.10000E+01 volume 0.97257E-03 ppm1 7.840 ppm2 3.948 CV 1 ASSI { 849} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.300 0.700 0.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.70187E-02 ppm1 8.463 ppm2 4.715 CV 1 ASSI { 850} (( segid " " and resid 35 and name HN )) (( segid " " and resid 70 and name HA )) 3.300 1.400 1.400 peak 850 spectrum 1 weight 0.10000E+01 volume 0.10072E-02 ppm1 8.476 ppm2 4.961 CV 1 ASSI { 851} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD% ) 2.800 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 8.474 ppm2 7.118 CV 1 ASSI { 853} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 2.600 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.33781E-02 ppm1 8.765 ppm2 8.232 CV 1 ASSI { 855} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.18759E-02 ppm1 8.608 ppm2 8.464 CV 1 ASSI { 856} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 3.500 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 8.610 ppm2 8.132 CV 1 ASSI { 857} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.17620E-02 ppm1 8.669 ppm2 8.567 CV 1 ASSI { 858} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.200 2.200 1.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.78094E-03 ppm1 8.670 ppm2 8.041 CV 1 ASSI { 862} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.53057E-02 ppm1 8.162 ppm2 7.782 CV 1 ASSI { 864} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.24377E-02 ppm1 7.840 ppm2 8.245 CV 1 ASSI { 868} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 4.000 2.000 2.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.75333E-03 ppm1 8.463 ppm2 2.885 CV 1 ASSI { 869} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.100 2.100 1.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.86062E-03 ppm1 8.462 ppm2 2.761 CV 1 ASSI { 870} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HD2 )) 4.800 2.900 1.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.37220E-03 ppm1 8.472 ppm2 2.813 CV 1 ASSI { 871} (( segid " " and resid 35 and name HN )) (( segid " " and resid 69 and name HA )) 4.300 2.300 1.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.32940E-03 ppm1 8.476 ppm2 5.270 CV 1 ASSI { 873} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 4.400 2.400 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.35172E-03 ppm1 7.978 ppm2 8.917 CV 1 ASSI { 875} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HA )) 5.200 3.300 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.25864E-03 ppm1 8.164 ppm2 4.594 CV 1 ASSI { 877} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.200 2.200 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.41229E-03 ppm1 7.837 ppm2 2.133 CV 1 ASSI { 880} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) 2.800 1.000 1.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.71714E-02 ppm1 7.780 ppm2 1.871 CV 1 ASSI { 881} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) 2.600 0.800 0.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.24549E-02 ppm1 7.780 ppm2 1.744 CV 1 ASSI { 887} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HB1 )) 5.100 3.200 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.44479E-03 ppm1 7.590 ppm2 2.015 CV 1 ASSI { 888} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HG )) 4.500 2.500 1.500 peak 888 spectrum 1 weight 0.10000E+01 volume 0.39411E-03 ppm1 7.589 ppm2 1.841 CV 1 ASSI { 889} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28A)) 4.700 2.800 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.19257E-03 ppm1 7.778 ppm2 3.477 CV 1 ASSI { 894} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.97297E-03 ppm1 7.780 ppm2 4.350 CV 1 ASSI { 896} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.85919E-03 ppm1 7.781 ppm2 4.189 CV 1 ASSI { 897} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 5.700 4.100 0.300 peak 897 spectrum 1 weight 0.10000E+01 volume 0.19555E-03 ppm1 7.778 ppm2 4.759 CV 1 ASSI { 903} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 4.100 2.100 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.42913E-03 ppm1 7.589 ppm2 4.910 CV 1 ASSI { 904} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) 5.200 3.400 0.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.28865E-03 ppm1 7.591 ppm2 4.213 CV 1 ASSI { 905} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 905 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 7.589 ppm2 3.746 CV 1 ASSI { 911} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.100 1.200 1.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.51173E-02 ppm1 8.150 ppm2 1.611 CV 1 ASSI { 915} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD1%) 4.300 2.300 1.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10724E-02 ppm1 8.149 ppm2 0.885 CV 1 ASSI { 916} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB )) 3.900 1.900 1.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 8.151 ppm2 4.191 CV 1 ASSI { 918} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 4.100 2.100 1.900 peak 918 spectrum 1 weight 0.10000E+01 volume 0.73347E-03 ppm1 8.148 ppm2 9.431 CV 1 ASSI { 921} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.400 1.500 1.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.24193E-02 ppm1 9.432 ppm2 1.480 CV 1 ASSI { 926} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD2%) 4.000 2.000 2.000 peak 926 spectrum 1 weight 0.10000E+01 volume 0.11654E-02 ppm1 9.433 ppm2 0.636 CV 1 ASSI { 930} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HD22)) 3.400 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.67283E-03 ppm1 9.431 ppm2 7.678 CV 1 ASSI { 931} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HD21)) 3.000 1.100 1.100 peak 931 spectrum 1 weight 0.10000E+01 volume 0.19956E-02 ppm1 9.433 ppm2 7.333 CV 1 ASSI { 932} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HA )) 4.100 2.100 1.900 peak 932 spectrum 1 weight 0.10000E+01 volume 0.37054E-03 ppm1 9.433 ppm2 4.909 CV 1 ASSI { 936} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.600 1.700 1.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.50819E-03 ppm1 8.146 ppm2 2.320 CV 1 ASSI { 938} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG11)) 3.000 1.100 1.100 peak 938 spectrum 1 weight 0.10000E+01 volume 0.13150E-02 ppm1 8.145 ppm2 1.479 CV 1 ASSI { 939} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.900 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 8.144 ppm2 4.662 CV 1 ASSI { 941} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HD1 )) 4.100 2.100 1.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.37623E-03 ppm1 8.146 ppm2 4.015 CV 1 ASSI { 943} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.200 0.600 0.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.85899E-02 ppm1 8.145 ppm2 4.843 CV 1 ASSI { 944} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 4.100 2.100 1.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.80371E-03 ppm1 8.146 ppm2 8.485 CV 1 ASSI { 945} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.600 2.600 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.33868E-03 ppm1 8.142 ppm2 2.763 CV 1 ASSI { 946} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG1%) 5.300 3.600 0.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.30707E-03 ppm1 8.143 ppm2 0.934 CV 1 ASSI { 9} (( segid " " and resid 42 and name H32A)) (( segid " " and resid 42 and name H36A)) 3.100 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 4.120 ppm2 8.111 CV 1 ASSI { 13} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H41A)) 3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 2.591 ppm2 8.271 CV 1 OR { 13} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H41A)) ASSI { 14} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H36A)) 3.700 1.700 1.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.74092E-03 ppm1 2.591 ppm2 8.109 CV 1 OR { 14} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H36A)) ASSI { 18} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H28B)) 1.900 0.400 0.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.11600E-01 ppm1 3.464 ppm2 3.901 CV 1 ASSI { 19} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H32A)) 4.300 2.300 1.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.42180E-03 ppm1 3.904 ppm2 4.117 CV 1 ASSI { 20} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H32A)) 3.600 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.85470E-03 ppm1 3.461 ppm2 4.115 CV 1 ASSI { 22} (( segid " " and resid 42 and name H1A )) (( segid " " and resid 42 and name H2B )) 1.800 0.400 0.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.50163E-01 ppm1 2.837 ppm2 2.966 CV 1 OR { 22} (( segid " " and resid 42 and name H1B )) (( segid " " and resid 42 and name H2A )) OR { 22} (( segid " " and resid 42 and name H1A )) (( segid " " and resid 42 and name H2A )) OR { 22} (( segid " " and resid 42 and name H1B )) (( segid " " and resid 42 and name H2B )) ASSI { 23} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H36A)) 3.900 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.49915E-03 ppm1 1.074 ppm2 8.112 CV 1 ASSI { 24} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H36A)) 4.100 2.100 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.75532E-03 ppm1 0.935 ppm2 8.111 CV 1 ASSI { 3} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H31%) 5.000 3.100 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.86410E-03 ppm1 2.312 ppm2 1.075 CV 1 OR { 3} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H31%) OR { 3} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H31%) OR { 3} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H31%) OR { 3} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H31%) OR { 3} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H31%) ASSI { 4} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H30%) 5.000 3.100 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.64399E-03 ppm1 2.315 ppm2 0.938 CV 1 OR { 4} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H30%) OR { 4} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H30%) OR { 4} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H30%) OR { 4} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H30%) OR { 4} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H30%) ASSI { 7} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 4.000 2.000 2.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.10860E-02 ppm1 2.836 ppm2 0.937 CV 1 OR { 7} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) OR { 7} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) ASSI { 8} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 3.900 1.900 1.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.12912E-02 ppm1 2.760 ppm2 0.937 CV 1 OR { 8} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) OR { 8} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) ASSI { 9} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H31%) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.67844E-03 ppm1 2.589 ppm2 1.076 CV 1 OR { 9} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H31%) ASSI { 10} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H30%) 3.000 3.000 3.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.71754E-03 ppm1 2.590 ppm2 0.938 CV 1 OR { 10} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H30%) ASSI { 12} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 42 and name H30%) 5.300 3.600 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.68125E-03 ppm1 1.854 ppm2 0.938 CV 1 OR { 12} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 42 and name H30%) OR { 12} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 42 and name H30%) ASSI { 15} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H31%) 2.900 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.53286E-02 ppm1 4.119 ppm2 1.075 CV 1 ASSI { 16} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H30%) 2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.34934E-02 ppm1 4.118 ppm2 0.938 CV 1 ASSI { 17} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H31%) 3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.41722E-02 ppm1 3.907 ppm2 1.075 CV 1 ASSI { 18} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H30%) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.90090E-02 ppm1 3.908 ppm2 0.938 CV 1 ASSI { 19} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H31%) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.53317E-02 ppm1 3.464 ppm2 1.076 CV 1 ASSI { 20} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H30%) 2.600 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.96792E-02 ppm1 3.464 ppm2 0.938 CV 1 ASSI { 47} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 56 and name HB2 )) 2.800 2.800 3.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 0.800 ppm2 2.766 CV 1 OR { 47} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG1 )) OR { 47} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 50} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG2 )) 2.900 2.900 3.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.78794E-03 ppm1 0.801 ppm2 2.317 CV 1 OR { 50} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 10 and name HB1 )) ASSI { 52} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.56390E-02 ppm1 0.799 ppm2 1.064 CV 1 OR { 52} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 74 and name HD2%) OR { 52} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 53} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.400 2.400 3.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.29706E-02 ppm1 0.800 ppm2 0.993 CV 1 OR { 53} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HG )) OR { 53} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 82 and name HD1%) OR { 53} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 82 and name HD2%) OR { 53} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 77 and name HD2%) ASSI { 58} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) 2.900 2.900 3.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.82357E-03 ppm1 0.801 ppm2 4.301 CV 1 OR { 58} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 58} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 59} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HA )) 3.100 3.100 2.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.60126E-03 ppm1 0.799 ppm2 4.092 CV 1 OR { 59} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 55 and name HA )) OR { 59} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 54 and name HB2 )) OR { 59} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 57 and name HA2 )) ASSI { 63} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.22228E-03 ppm1 0.798 ppm2 8.410 CV 1 OR { 63} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 80 and name HN )) ASSI { 74} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG1 )) 3.200 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.14233E-02 ppm1 0.862 ppm2 2.189 CV 1 OR { 74} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HB1 )) OR { 74} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 64 and name HB )) ASSI { 76} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.600 1.600 1.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.68202E-03 ppm1 0.873 ppm2 3.293 CV 1 OR { 76} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 31 and name HA )) OR { 76} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 41 and name HB1 )) ASSI { 77} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.800 1.800 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 0.874 ppm2 3.015 CV 1 OR { 77} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB2 )) ASSI { 79} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.300 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 0.854 ppm2 2.771 CV 1 OR { 79} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) ASSI { 80} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) 3.300 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.17342E-02 ppm1 0.845 ppm2 3.969 CV 1 OR { 80} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 65 and name HA )) ASSI { 83} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.20225E-02 ppm1 0.851 ppm2 4.665 CV 1 OR { 83} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 58 and name HA )) ASSI { 84} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.300 2.300 1.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14225E-02 ppm1 0.872 ppm2 7.717 CV 1 OR { 84} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 86} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.10170E-02 ppm1 0.874 ppm2 7.213 CV 1 OR { 86} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 90} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HN )) 4.300 2.300 1.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.66058E-03 ppm1 0.868 ppm2 8.471 CV 1 OR { 90} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 45 and name HN )) ASSI { 98} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 49 and name HB% ) 2.900 1.100 1.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.31501E-02 ppm1 1.029 ppm2 1.509 CV 1 OR { 98} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) ASSI { 102} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 81 and name HB% ) 3.300 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 0.873 ppm2 1.605 CV 1 OR { 102} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB1 )) OR { 102} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 4 and name HB1 )) ASSI { 106} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.35391E-02 ppm1 1.528 ppm2 1.024 CV 1 OR { 106} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD2%) ASSI { 111} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.600 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.79130E-03 ppm1 0.875 ppm2 2.781 CV 1 OR { 111} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) ASSI { 113} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD1 )) 3.400 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.28092E-02 ppm1 1.028 ppm2 4.006 CV 1 OR { 113} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HA )) ASSI { 114} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 78 and name HA )) 5.100 3.200 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.42395E-03 ppm1 1.032 ppm2 3.749 CV 1 OR { 114} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 119} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.49467E-02 ppm1 1.529 ppm2 4.266 CV 1 OR { 119} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) ASSI { 125} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) 3.600 1.700 1.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 0.872 ppm2 8.277 CV 1 OR { 125} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HN )) ASSI { 132} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 64 and name HB )) 4.400 2.400 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.72178E-03 ppm1 1.524 ppm2 2.198 CV 1 OR { 132} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB1 )) OR { 132} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) ASSI { 135} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 45 and name HA )) 4.000 2.000 2.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.65527E-03 ppm1 1.392 ppm2 3.872 CV 1 OR { 135} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA2 )) ASSI { 141} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HA )) 2.200 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10691E-01 ppm1 1.653 ppm2 4.250 CV 1 OR { 141} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) ASSI { 148} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HD2 )) 4.200 2.200 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.31610E-03 ppm1 1.672 ppm2 3.305 CV 1 OR { 148} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HD2 )) ASSI { 156} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HG )) 2.800 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.29073E-02 ppm1 1.673 ppm2 2.035 CV 1 OR { 156} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HB1 )) ASSI { 159} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 64 and name HG1%) 3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.35947E-02 ppm1 1.392 ppm2 0.987 CV 1 OR { 159} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 74 and name HG )) OR { 159} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 77 and name HD2%) ASSI { 160} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HD1%) 2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.27096E-02 ppm1 1.529 ppm2 0.846 CV 1 OR { 160} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD1%) ASSI { 161} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.57880E-02 ppm1 1.632 ppm2 0.963 CV 1 OR { 161} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD2%) OR { 161} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 163} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 48 and name HG2%) 2.600 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.47825E-02 ppm1 1.674 ppm2 1.138 CV 1 OR { 163} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD2%) ASSI { 164} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.80820E-02 ppm1 1.672 ppm2 1.039 CV 1 OR { 164} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD1%) ASSI { 167} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.48914E-02 ppm1 0.925 ppm2 4.093 CV 1 OR { 167} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HA1 )) ASSI { 171} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA1 )) 4.200 2.200 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.11977E-02 ppm1 1.547 ppm2 4.068 CV 1 OR { 171} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA2 )) OR { 171} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HB2 )) ASSI { 173} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.29344E-02 ppm1 1.574 ppm2 4.218 CV 1 OR { 173} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HA )) ASSI { 175} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 3.400 1.500 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 0.925 ppm2 3.745 CV 1 OR { 175} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HB2 )) ASSI { 177} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) 3.300 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 1.064 ppm2 3.095 CV 1 OR { 177} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HB2 )) ASSI { 180} ( segid " " and resid 85 and name HB% ) ( segid " " and resid 82 and name HD2%) 2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.35761E-02 ppm1 1.573 ppm2 0.982 CV 1 OR { 180} ( segid " " and resid 85 and name HB% ) ( segid " " and resid 58 and name HG2%) ASSI { 190} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB2 )) 2.900 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.24366E-02 ppm1 0.926 ppm2 2.778 CV 1 OR { 190} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG1 )) ASSI { 191} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB2 )) 3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.12109E-02 ppm1 1.064 ppm2 3.002 CV 1 OR { 191} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HB2 )) OR { 191} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) ASSI { 196} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.400 0.700 0.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.81315E-02 ppm1 1.545 ppm2 7.838 CV 1 OR { 196} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 200} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.28862E-02 ppm1 1.061 ppm2 7.719 CV 1 OR { 200} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 201} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HN )) 3.900 1.900 1.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.57763E-03 ppm1 0.925 ppm2 7.972 CV 1 OR { 201} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 83 and name HN )) OR { 201} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 86 and name HN )) ASSI { 204} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 20 and name HN )) 3.800 1.800 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.75139E-03 ppm1 1.547 ppm2 8.481 CV 1 OR { 204} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 22 and name HN )) ASSI { 207} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.59207E-03 ppm1 0.924 ppm2 8.135 CV 1 OR { 207} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HN )) ASSI { 212} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.400 1.400 1.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.16914E-02 ppm1 1.130 ppm2 8.408 CV 1 OR { 212} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) ASSI { 223} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.70356E-02 ppm1 1.131 ppm2 3.955 CV 1 OR { 223} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 225} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HA )) 2.100 0.600 0.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.96858E-02 ppm1 1.131 ppm2 4.410 CV 1 OR { 225} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) ASSI { 226} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.100 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.10460E-01 ppm1 1.215 ppm2 2.413 CV 1 OR { 226} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB1 )) ASSI { 228} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 64 and name HB )) 4.000 2.000 2.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.86471E-03 ppm1 1.215 ppm2 2.218 CV 1 OR { 228} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 229} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB1 )) 3.700 1.800 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.10436E-02 ppm1 1.132 ppm2 2.200 CV 1 OR { 229} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HB1 )) ASSI { 230} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HG )) 2.800 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.25216E-02 ppm1 1.131 ppm2 2.034 CV 1 OR { 230} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 231} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HG )) 3.200 1.300 1.300 peak 231 spectrum 1 weight 0.10000E+01 volume 0.29721E-02 ppm1 1.131 ppm2 1.884 CV 1 OR { 231} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 10 and name HG )) ASSI { 235} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 64 and name HG1%) 2.900 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.54930E-02 ppm1 1.215 ppm2 0.952 CV 1 OR { 235} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 77 and name HD1%) OR { 235} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 77 and name HD2%) ASSI { 236} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD2%) 2.300 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.82443E-02 ppm1 1.130 ppm2 0.868 CV 1 OR { 236} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 52 and name HD1%) ASSI { 246} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HG2 )) 3.300 1.300 1.300 peak 246 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 1.080 ppm2 1.617 CV 1 OR { 246} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HB2 )) OR { 246} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 31 and name HB1 )) ASSI { 250} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HB1 )) 4.100 2.100 1.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.68835E-03 ppm1 1.084 ppm2 2.181 CV 1 OR { 250} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HG1 )) ASSI { 251} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 77 and name HD1%) 3.100 3.100 2.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.33814E-02 ppm1 1.130 ppm2 0.941 CV 1 OR { 251} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 77 and name HD2%) OR { 251} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 33 and name HD1%) OR { 251} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 58 and name HG1%) ASSI { 254} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.12523E-02 ppm1 0.972 ppm2 2.789 CV 1 OR { 254} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HG1 )) ASSI { 256} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HD2 )) 4.000 2.000 2.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.48045E-03 ppm1 1.085 ppm2 3.337 CV 1 OR { 256} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 31 and name HA )) ASSI { 261} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 78 and name HA )) 3.800 1.800 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.57288E-03 ppm1 0.975 ppm2 3.748 CV 1 OR { 261} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 262} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HA )) 3.700 1.700 1.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.87134E-03 ppm1 0.979 ppm2 3.991 CV 1 OR { 262} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 61 and name HD1 )) ASSI { 265} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA2 )) 3.500 1.500 1.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 1.041 ppm2 4.051 CV 1 OR { 265} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA1 )) OR { 265} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) ASSI { 270} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.51785E-02 ppm1 0.974 ppm2 4.683 CV 1 OR { 270} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HA )) ASSI { 276} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 38 and name HA )) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.74644E-03 ppm1 1.281 ppm2 4.689 CV 1 OR { 276} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HA )) ASSI { 280} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB2 )) 4.200 2.200 1.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.92264E-03 ppm1 1.419 ppm2 2.707 CV 1 OR { 280} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB2 )) OR { 280} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB1 )) ASSI { 292} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HN )) 3.200 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.19850E-02 ppm1 1.080 ppm2 8.467 CV 1 OR { 292} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HN )) ASSI { 293} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.24392E-02 ppm1 1.039 ppm2 8.452 CV 1 OR { 293} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HN )) ASSI { 294} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HN )) 3.500 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.15461E-02 ppm1 1.040 ppm2 8.222 CV 1 OR { 294} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) OR { 294} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) ASSI { 299} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 3.900 1.900 1.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.63240E-03 ppm1 1.244 ppm2 8.476 CV 1 OR { 299} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HN )) ASSI { 301} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HN )) 3.300 1.400 1.400 peak 301 spectrum 1 weight 0.10000E+01 volume 0.81387E-03 ppm1 1.078 ppm2 9.093 CV 1 OR { 301} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HE )) ASSI { 305} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD2%) 2.400 2.400 3.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34005E-02 ppm1 1.117 ppm2 0.796 CV 1 OR { 305} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 78 and name HD1%) OR { 305} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 75 and name HD1%) ASSI { 307} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 78 and name HD1%) 2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.39403E-02 ppm1 1.067 ppm2 0.792 CV 1 OR { 307} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 78 and name HD1%) OR { 307} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 75 and name HD1%) OR { 307} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 75 and name HD1%) ASSI { 309} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG1 )) 2.400 2.400 3.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.24635E-02 ppm1 1.117 ppm2 1.405 CV 1 OR { 309} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 65 and name HB% ) ASSI { 310} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 18 and name HB% ) 3.900 1.900 1.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.85521E-03 ppm1 1.116 ppm2 1.553 CV 1 OR { 310} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 49 and name HB% ) OR { 310} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 75 and name HB2 )) ASSI { 311} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 49 and name HB% ) 3.000 1.100 1.100 peak 311 spectrum 1 weight 0.10000E+01 volume 0.22264E-02 ppm1 1.066 ppm2 1.529 CV 1 OR { 311} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 49 and name HB% ) OR { 311} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HB2 )) ASSI { 314} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.11262E-01 ppm1 1.068 ppm2 1.704 CV 1 OR { 314} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB2 )) OR { 314} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HG11)) ASSI { 315} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB1 )) 3.200 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.115 ppm2 2.014 CV 1 OR { 315} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HB1 )) ASSI { 317} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 10 and name HG )) 3.800 1.800 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 1.070 ppm2 1.919 CV 1 OR { 317} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 10 and name HG )) OR { 317} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HB2 )) OR { 317} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HB )) ASSI { 328} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.39334E-02 ppm1 1.117 ppm2 4.041 CV 1 OR { 328} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 19 and name HA2 )) ASSI { 330} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 49 and name HA )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 1.070 ppm2 3.970 CV 1 OR { 330} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 65 and name HA )) OR { 330} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 49 and name HA )) OR { 330} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 65 and name HA )) ASSI { 334} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.63133E-03 ppm1 1.033 ppm2 4.522 CV 1 OR { 334} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HA )) ASSI { 335} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HA )) 4.300 2.400 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.63408E-03 ppm1 1.113 ppm2 4.382 CV 1 OR { 335} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 13 and name HA )) OR { 335} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HA )) ASSI { 336} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 73 and name HA )) 4.600 2.700 1.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.56471E-03 ppm1 1.118 ppm2 4.210 CV 1 OR { 336} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 71 and name HA )) OR { 336} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) ASSI { 344} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 1.119 ppm2 8.220 CV 1 OR { 344} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 353} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HN )) 4.000 2.000 2.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 0.357 ppm2 8.468 CV 1 OR { 353} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HN )) ASSI { 357} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HN )) 3.300 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.25472E-02 ppm1 1.042 ppm2 8.411 CV 1 OR { 357} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HN )) ASSI { 358} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HN )) 4.900 3.000 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.43621E-03 ppm1 0.885 ppm2 8.283 CV 1 OR { 358} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 363} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HN )) 3.800 1.900 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.78543E-03 ppm1 1.046 ppm2 8.736 CV 1 OR { 363} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 49 and name HN )) ASSI { 364} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HN )) 4.000 2.000 2.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.15501E-02 ppm1 1.046 ppm2 8.074 CV 1 OR { 364} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HN )) ASSI { 370} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HN )) 4.200 2.300 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.46988E-03 ppm1 1.385 ppm2 8.040 CV 1 OR { 370} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 10 and name HN )) ASSI { 371} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HN )) 4.200 2.200 1.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.45476E-03 ppm1 0.460 ppm2 8.049 CV 1 OR { 371} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) ASSI { 374} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.17618E-02 ppm1 0.460 ppm2 7.216 CV 1 OR { 374} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 375} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 68 and name HN )) 5.300 3.600 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.30511E-03 ppm1 0.360 ppm2 7.301 CV 1 OR { 375} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 30 and name HD% ) ASSI { 379} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HN )) 5.300 3.400 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.32067E-03 ppm1 0.224 ppm2 8.236 CV 1 OR { 379} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 380} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HN )) 5.200 3.400 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.34617E-03 ppm1 0.359 ppm2 8.222 CV 1 OR { 380} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 65 and name HN )) ASSI { 387} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.800 1.800 1.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.67094E-03 ppm1 0.693 ppm2 7.216 CV 1 OR { 387} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 389} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HD% ) 4.600 2.700 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.26037E-03 ppm1 0.696 ppm2 6.960 CV 1 OR { 389} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 391} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH22)) 4.500 2.600 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.60371E-03 ppm1 0.460 ppm2 6.892 CV 1 OR { 391} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH21)) OR { 391} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH11)) OR { 391} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 404} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.300 2.300 1.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.48133E-03 ppm1 1.048 ppm2 7.210 CV 1 OR { 404} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HE )) ASSI { 405} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HN )) 3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.18850E-02 ppm1 1.134 ppm2 7.478 CV 1 OR { 405} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 70 and name HN )) ASSI { 421} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 13 and name HA )) 3.800 1.800 1.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.95281E-03 ppm1 1.043 ppm2 4.410 CV 1 OR { 421} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HA )) OR { 421} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HA )) ASSI { 428} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 2.400 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.52633E-02 ppm1 0.763 ppm2 4.402 CV 1 OR { 428} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HB )) ASSI { 432} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HA )) 4.400 2.400 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.45123E-03 ppm1 0.694 ppm2 4.724 CV 1 OR { 432} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 25 and name HA )) ASSI { 433} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 48 and name HB )) 4.000 2.000 2.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.69248E-03 ppm1 0.358 ppm2 4.389 CV 1 OR { 433} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HA )) OR { 433} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 434} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name HA )) 4.000 2.000 2.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 0.360 ppm2 4.269 CV 1 OR { 434} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HA )) ASSI { 438} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HA )) 3.900 1.900 1.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.72821E-03 ppm1 0.230 ppm2 4.389 CV 1 OR { 438} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HB )) OR { 438} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 14 and name HA )) ASSI { 441} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.36011E-02 ppm1 0.228 ppm2 3.893 CV 1 OR { 441} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 66 and name HA2 )) ASSI { 442} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HA )) 3.600 1.600 1.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.11299E-02 ppm1 0.460 ppm2 3.870 CV 1 OR { 442} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 446} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HB )) 3.200 1.300 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.58243E-03 ppm1 0.462 ppm2 4.323 CV 1 OR { 446} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 447} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HA )) 4.500 2.500 1.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.51837E-03 ppm1 0.459 ppm2 4.225 CV 1 OR { 447} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 451} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HA )) 3.300 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.14498E-02 ppm1 1.046 ppm2 3.893 CV 1 OR { 451} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 7 and name HA )) ASSI { 462} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.48688E-03 ppm1 0.362 ppm2 2.801 CV 1 OR { 462} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 71 and name HD2 )) ASSI { 467} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 0.228 ppm2 2.779 CV 1 OR { 467} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HG2 )) ASSI { 471} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 68 and name HB )) 4.900 3.000 1.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.43798E-03 ppm1 0.229 ppm2 2.411 CV 1 OR { 471} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 474} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 9 and name HB2 )) 4.200 2.200 1.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.34060E-03 ppm1 1.049 ppm2 2.717 CV 1 OR { 474} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 9 and name HB2 )) OR { 474} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 76 and name HB2 )) OR { 474} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 8 and name HB1 )) ASSI { 477} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) 2.100 0.500 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.10850E-01 ppm1 1.135 ppm2 2.413 CV 1 OR { 477} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HB1 )) ASSI { 478} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HD2 )) 3.300 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.92463E-03 ppm1 1.044 ppm2 3.021 CV 1 OR { 478} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 9 and name HB1 )) ASSI { 480} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HB2 )) 3.200 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.12145E-02 ppm1 1.135 ppm2 1.883 CV 1 OR { 480} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 72 and name HB1 )) ASSI { 485} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 1.043 ppm2 2.226 CV 1 OR { 485} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HB1 )) ASSI { 493} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.14620E-02 ppm1 0.461 ppm2 1.876 CV 1 OR { 493} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 495} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 3.000 1.200 1.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.23679E-02 ppm1 0.460 ppm2 1.636 CV 1 OR { 495} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 497} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB2 )) 3.100 1.200 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.40635E-02 ppm1 0.360 ppm2 1.516 CV 1 OR { 497} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 44 and name HB% ) ASSI { 503} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB1 )) 3.800 1.800 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.73342E-03 ppm1 0.697 ppm2 1.998 CV 1 OR { 503} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 71 and name HB2 )) ASSI { 505} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB2 )) 2.400 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.53945E-02 ppm1 1.046 ppm2 1.561 CV 1 OR { 505} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB2 )) ASSI { 507} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.91769E-02 ppm1 1.049 ppm2 1.891 CV 1 OR { 507} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HB1 )) ASSI { 515} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.800 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 0.695 ppm2 1.057 CV 1 OR { 515} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 33 and name HD2%) ASSI { 517} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 10 and name HD1%) 3.100 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.22867E-02 ppm1 0.762 ppm2 1.033 CV 1 OR { 517} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 38 and name HG2%) OR { 517} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 15 and name HG1%) ASSI { 527} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HG )) 3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.20178E-02 ppm1 0.360 ppm2 0.986 CV 1 OR { 527} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 77 and name HD2%) ASSI { 532} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD2%) 3.900 1.900 1.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 0.226 ppm2 1.063 CV 1 OR { 532} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD1%) OR { 532} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 70 and name HG2%) OR { 532} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 533} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HG )) 3.400 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.17605E-02 ppm1 0.227 ppm2 0.981 CV 1 OR { 533} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 64 and name HG1%) OR { 533} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 77 and name HD2%) ASSI { 535} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 14 and name HD2%) 3.500 1.500 1.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.88604E-03 ppm1 0.362 ppm2 0.876 CV 1 OR { 535} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 38 and name HD1%) ASSI { 536} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 14 and name HD2%) 3.500 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.43886E-03 ppm1 0.227 ppm2 0.889 CV 1 OR { 536} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 38 and name HD1%) OR { 536} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 52 and name HD1%) OR { 536} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 75 and name HD2%) ASSI { 538} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HD1%) 2.600 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.42450E-02 ppm1 0.696 ppm2 0.887 CV 1 OR { 538} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 14 and name HD2%) ASSI { 540} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD2%) 2.600 0.800 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.72301E-02 ppm1 1.042 ppm2 0.628 CV 1 OR { 540} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 5 and name HD1%) OR { 540} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD1%) OR { 540} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 5 and name HD2%) ASSI { 541} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 75 and name HD1%) 2.600 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.86491E-02 ppm1 1.045 ppm2 0.789 CV 1 OR { 541} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HD1%) OR { 541} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 14 and name HD1%) OR { 541} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 78 and name HD1%) ASSI { 549} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD2%) 2.800 1.000 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.38479E-02 ppm1 1.385 ppm2 0.776 CV 1 OR { 549} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 75 and name HD1%) ASSI { 551} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 52 and name HD1%) 2.100 0.500 0.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.14917E-01 ppm1 1.043 ppm2 0.858 CV 1 OR { 551} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HG2%) OR { 551} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 52 and name HD1%) ASSI { 552} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 64 and name HG1%) 2.400 0.700 0.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.74730E-02 ppm1 1.136 ppm2 0.955 CV 1 OR { 552} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HG )) OR { 552} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 77 and name HD1%) OR { 552} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 77 and name HD2%) ASSI { 558} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 4 and name HD1%) 3.500 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.31550E-02 ppm1 0.648 ppm2 0.905 CV 1 OR { 558} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 58 and name HG1%) OR { 558} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 75 and name HD2%) ASSI { 559} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 78 and name HG2%) 2.400 0.700 0.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.58692E-02 ppm1 0.649 ppm2 0.852 CV 1 OR { 559} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD1%) ASSI { 560} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 10 and name HD1%) 2.800 1.000 1.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.51510E-02 ppm1 0.610 ppm2 1.044 CV 1 OR { 560} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) OR { 560} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 74 and name HD2%) ASSI { 562} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HG2%) 2.700 0.900 0.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.55731E-02 ppm1 0.609 ppm2 0.876 CV 1 OR { 562} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD1%) OR { 562} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 75 and name HD2%) ASSI { 563} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 75 and name HD1%) 2.400 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.59442E-02 ppm1 0.608 ppm2 0.805 CV 1 OR { 563} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HD1%) ASSI { 565} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 7 and name HG2%) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.38539E-02 ppm1 0.797 ppm2 1.375 CV 1 OR { 565} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 7 and name HG2%) OR { 565} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB2 )) ASSI { 572} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB1 )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.48361E-02 ppm1 0.782 ppm2 1.626 CV 1 OR { 572} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB2 )) ASSI { 574} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.87099E-02 ppm1 0.796 ppm2 1.566 CV 1 OR { 574} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 574} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 581} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HG )) 3.500 1.500 1.500 peak 581 spectrum 1 weight 0.10000E+01 volume 0.52500E-03 ppm1 0.800 ppm2 1.909 CV 1 OR { 581} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 10 and name HG )) OR { 581} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 77 and name HB2 )) ASSI { 587} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17878E-02 ppm1 0.609 ppm2 3.891 CV 1 OR { 587} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 7 and name HA )) ASSI { 590} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.62970E-02 ppm1 0.960 ppm2 4.282 CV 1 OR { 590} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 590} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 590} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 74 and name HA )) ASSI { 603} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 65 and name HA )) 3.000 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 0.959 ppm2 3.979 CV 1 OR { 603} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 65 and name HA )) OR { 603} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 49 and name HA )) ASSI { 606} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HA )) 3.700 1.700 1.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.74746E-03 ppm1 0.650 ppm2 4.214 CV 1 OR { 606} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 82 and name HA )) ASSI { 607} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HA )) 3.600 1.600 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 0.610 ppm2 4.216 CV 1 OR { 607} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 608} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HA )) 4.000 2.000 2.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.31303E-03 ppm1 0.796 ppm2 4.218 CV 1 OR { 608} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HA )) OR { 608} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 73 and name HA )) OR { 608} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 610} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 3.700 1.700 1.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.17364E-02 ppm1 0.610 ppm2 4.535 CV 1 OR { 610} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HA )) ASSI { 611} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HA )) 3.500 1.600 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.22103E-02 ppm1 0.647 ppm2 4.530 CV 1 OR { 611} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HA )) ASSI { 625} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HD21)) 3.100 1.200 1.200 peak 625 spectrum 1 weight 0.10000E+01 volume 0.27725E-02 ppm1 0.796 ppm2 7.331 CV 1 OR { 625} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 30 and name HD% ) OR { 625} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 631} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HN )) 4.300 2.300 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.55451E-03 ppm1 0.796 ppm2 8.073 CV 1 OR { 631} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 32 and name HN )) ASSI { 636} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HN )) 3.700 1.700 1.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.62454E-03 ppm1 0.795 ppm2 8.853 CV 1 OR { 636} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 7 and name HN )) OR { 636} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HN )) ASSI { 645} (( segid " " and resid 75 and name HG )) (( segid " " and resid 76 and name HN )) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.97451E-03 ppm1 1.693 ppm2 8.720 CV 1 OR { 645} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) ASSI { 646} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HN )) 2.500 2.500 3.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.21267E-02 ppm1 0.875 ppm2 8.721 CV 1 OR { 646} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HN )) OR { 646} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 649} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.66104E-03 ppm1 2.184 ppm2 7.205 CV 1 OR { 649} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 33 and name HN )) ASSI { 650} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD21)) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.14890E-02 ppm1 0.893 ppm2 7.322 CV 1 OR { 650} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HD% ) OR { 650} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 30 and name HZ )) OR { 650} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HE )) ASSI { 654} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.40121E-03 ppm1 1.315 ppm2 7.219 CV 1 OR { 654} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 33 and name HN )) ASSI { 663} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 13 and name HN )) 2.700 2.700 3.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.17079E-02 ppm1 0.877 ppm2 7.678 CV 1 OR { 663} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD22)) OR { 663} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 13 and name HN )) OR { 663} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HD22)) OR { 663} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 74 and name HN )) ASSI { 668} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HN )) 3.700 1.800 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.55297E-03 ppm1 0.872 ppm2 8.854 CV 1 OR { 668} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 679} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.72275E-03 ppm1 0.801 ppm2 7.318 CV 1 OR { 679} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 11 and name HE )) OR { 679} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 686} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) 4.200 2.200 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 0.983 ppm2 4.222 CV 1 OR { 686} (( segid " " and resid 74 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 687} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) 3.700 1.700 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 0.896 ppm2 4.397 CV 1 OR { 687} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 48 and name HB )) ASSI { 688} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HA )) 3.400 1.500 1.500 peak 688 spectrum 1 weight 0.10000E+01 volume 0.96608E-03 ppm1 0.896 ppm2 4.226 CV 1 OR { 688} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 10 and name HA )) OR { 688} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 16 and name HA )) OR { 688} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 24 and name HB )) ASSI { 699} (( segid " " and resid 52 and name HG )) (( segid " " and resid 49 and name HA )) 3.700 1.800 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.47930E-03 ppm1 2.049 ppm2 3.953 CV 1 OR { 699} (( segid " " and resid 52 and name HG )) (( segid " " and resid 48 and name HA )) ASSI { 706} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB1 )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.33225E-02 ppm1 0.981 ppm2 2.426 CV 1 OR { 706} (( segid " " and resid 74 and name HG )) (( segid " " and resid 68 and name HB )) ASSI { 713} (( segid " " and resid 75 and name HG )) (( segid " " and resid 79 and name HB2 )) 4.200 2.200 1.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.27487E-03 ppm1 1.700 ppm2 2.762 CV 1 OR { 713} (( segid " " and resid 75 and name HG )) (( segid " " and resid 76 and name HB1 )) ASSI { 714} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB1 )) 3.300 1.300 1.300 peak 714 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 2.045 ppm2 2.223 CV 1 OR { 714} (( segid " " and resid 52 and name HG )) (( segid " " and resid 51 and name HB1 )) ASSI { 719} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 38 and name HD1%) 2.900 1.100 1.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.10783E-02 ppm1 2.181 ppm2 0.878 CV 1 OR { 719} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 14 and name HD2%) ASSI { 725} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HB2 )) 3.000 1.100 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.29771E-02 ppm1 1.693 ppm2 1.557 CV 1 OR { 725} (( segid " " and resid 75 and name HG )) (( segid " " and resid 10 and name HB2 )) ASSI { 726} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 38 and name HD1%) 3.200 1.300 1.300 peak 726 spectrum 1 weight 0.10000E+01 volume 0.11913E-02 ppm1 1.312 ppm2 0.879 CV 1 OR { 726} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 75 and name HD2%) ASSI { 732} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.47278E-02 ppm1 0.983 ppm2 1.561 CV 1 OR { 732} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 739} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 11 and name HG2 )) 2.900 1.100 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.23647E-02 ppm1 0.797 ppm2 1.140 CV 1 OR { 739} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 15 and name HG2%) ASSI { 744} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB1 )) 2.300 0.600 0.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.83643E-02 ppm1 0.873 ppm2 2.207 CV 1 OR { 744} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB1 )) ASSI { 746} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 78 and name HB )) 3.900 1.900 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 0.873 ppm2 1.925 CV 1 OR { 746} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HB1 )) ASSI { 747} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 2.000 0.500 0.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.19470E-01 ppm1 0.875 ppm2 1.690 CV 1 OR { 747} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 13 and name HB% ) ASSI { 748} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.82331E-02 ppm1 0.876 ppm2 1.548 CV 1 OR { 748} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 753} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 5 and name HD1%) 2.900 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26196E-02 ppm1 0.871 ppm2 0.600 CV 1 OR { 753} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 5 and name HD1%) ASSI { 767} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HD1%) 2.200 0.600 0.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.60244E-02 ppm1 1.832 ppm2 0.876 CV 1 OR { 767} (( segid " " and resid 82 and name HG )) ( segid " " and resid 78 and name HG2%) ASSI { 768} (( segid " " and resid 14 and name HG )) ( segid " " and resid 14 and name HD1%) 2.600 0.800 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.36721E-02 ppm1 1.886 ppm2 0.771 CV 1 OR { 768} (( segid " " and resid 10 and name HG )) ( segid " " and resid 75 and name HD1%) ASSI { 773} (( segid " " and resid 5 and name HG )) ( segid " " and resid 75 and name HD1%) 3.500 1.500 1.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 1.565 ppm2 0.796 CV 1 OR { 773} (( segid " " and resid 5 and name HG )) ( segid " " and resid 78 and name HD1%) ASSI { 774} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 38 and name HD1%) 2.400 0.700 0.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.45363E-02 ppm1 1.543 ppm2 0.872 CV 1 OR { 774} (( segid " " and resid 5 and name HG )) ( segid " " and resid 78 and name HG2%) ASSI { 781} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 52 and name HD1%) 3.000 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.42514E-02 ppm1 1.128 ppm2 0.871 CV 1 OR { 781} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD2%) OR { 781} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD2%) ASSI { 782} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 78 and name HD1%) 2.500 0.800 0.800 peak 782 spectrum 1 weight 0.10000E+01 volume 0.56686E-02 ppm1 1.129 ppm2 0.792 CV 1 OR { 782} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD1%) ASSI { 785} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD1%) 2.600 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.36321E-02 ppm1 1.888 ppm2 1.045 CV 1 OR { 785} (( segid " " and resid 10 and name HG )) ( segid " " and resid 74 and name HD1%) ASSI { 795} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HG12)) 1.600 0.300 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.11555E-01 ppm1 1.832 ppm2 1.548 CV 1 OR { 795} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB2 )) ASSI { 796} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB2 )) 2.200 0.600 0.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.80172E-02 ppm1 1.359 ppm2 1.624 CV 1 OR { 796} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB1 )) ASSI { 797} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB2 )) 2.300 0.600 0.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.55236E-02 ppm1 1.351 ppm2 1.514 CV 1 OR { 797} (( segid " " and resid 45 and name HG )) ( segid " " and resid 44 and name HB% ) ASSI { 798} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 13 and name HB% ) 3.900 1.900 1.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.18159E-02 ppm1 1.130 ppm2 1.700 CV 1 OR { 798} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HB2 )) OR { 798} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HG )) ASSI { 799} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB2 )) 2.300 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.64281E-02 ppm1 1.129 ppm2 1.562 CV 1 OR { 799} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB2 )) ASSI { 802} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB1 )) 2.600 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.33334E-02 ppm1 1.202 ppm2 1.635 CV 1 OR { 802} (( segid " " and resid 31 and name HG )) (( segid " " and resid 72 and name HB2 )) ASSI { 806} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 14 and name HB1 )) 3.300 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.17158E-02 ppm1 1.129 ppm2 2.007 CV 1 OR { 806} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB2 )) ASSI { 814} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB1 )) 2.300 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.69646E-02 ppm1 1.828 ppm2 2.032 CV 1 OR { 814} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB1 )) ASSI { 819} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD2 )) 2.900 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.20023E-02 ppm1 1.363 ppm2 3.018 CV 1 OR { 819} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB1 )) ASSI { 832} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 31 and name HA )) 4.400 2.400 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.54042E-03 ppm1 1.130 ppm2 3.306 CV 1 OR { 832} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 30 and name HB1 )) ASSI { 837} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.20322E-02 ppm1 1.130 ppm2 3.884 CV 1 OR { 837} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 845} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.21288E-02 ppm1 1.831 ppm2 4.377 CV 1 OR { 845} (( segid " " and resid 82 and name HG )) (( segid " " and resid 4 and name HA )) ASSI { 847} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HA )) 3.600 1.600 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.89191E-03 ppm1 1.883 ppm2 4.402 CV 1 OR { 847} (( segid " " and resid 10 and name HG )) (( segid " " and resid 14 and name HA )) OR { 847} (( segid " " and resid 14 and name HG )) (( segid " " and resid 48 and name HB )) ASSI { 848} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 3.000 1.200 1.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.21486E-02 ppm1 1.828 ppm2 4.271 CV 1 OR { 848} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HA1 )) ASSI { 850} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HA )) 3.500 1.500 1.500 peak 850 spectrum 1 weight 0.10000E+01 volume 0.12127E-02 ppm1 1.729 ppm2 4.291 CV 1 OR { 850} (( segid " " and resid 43 and name HG )) (( segid " " and resid 42 and name HA )) ASSI { 851} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) 4.000 2.000 2.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.60596E-03 ppm1 1.831 ppm2 4.672 CV 1 OR { 851} (( segid " " and resid 82 and name HG )) (( segid " " and resid 56 and name HA )) ASSI { 856} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 35 and name HA )) 2.300 0.600 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.30547E-02 ppm1 1.544 ppm2 4.378 CV 1 OR { 856} (( segid " " and resid 5 and name HG )) (( segid " " and resid 4 and name HA )) ASSI { 857} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HA )) 3.200 1.300 1.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.14626E-02 ppm1 1.484 ppm2 4.661 CV 1 OR { 857} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 58 and name HA )) ASSI { 858} (( segid " " and resid 45 and name HG )) (( segid " " and resid 42 and name HA )) 3.300 1.400 1.400 peak 858 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 1.353 ppm2 4.272 CV 1 OR { 858} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HA )) ASSI { 859} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) 3.400 1.400 1.400 peak 859 spectrum 1 weight 0.10000E+01 volume 0.23575E-02 ppm1 1.130 ppm2 4.224 CV 1 OR { 859} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HA )) ASSI { 865} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE )) 3.300 1.400 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.97874E-03 ppm1 1.407 ppm2 7.326 CV 1 OR { 865} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 30 and name HZ )) ASSI { 872} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 872 spectrum 1 weight 0.10000E+01 volume 0.30990E-02 ppm1 1.831 ppm2 7.720 CV 1 OR { 872} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HN )) ASSI { 874} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 2.200 0.600 0.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.32631E-02 ppm1 1.543 ppm2 7.718 CV 1 OR { 874} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 39 and name HN )) ASSI { 883} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.31754E-02 ppm1 1.843 ppm2 8.278 CV 1 OR { 883} (( segid " " and resid 77 and name HG )) (( segid " " and resid 78 and name HN )) ASSI { 892} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HN )) 3.700 1.700 1.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.16342E-02 ppm1 1.945 ppm2 8.462 CV 1 OR { 892} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 35 and name HN )) ASSI { 897} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HN )) 3.100 1.200 1.200 peak 897 spectrum 1 weight 0.10000E+01 volume 0.13497E-02 ppm1 1.628 ppm2 8.466 CV 1 OR { 897} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name HN )) ASSI { 918} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD1 )) 2.600 0.800 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.37414E-02 ppm1 1.931 ppm2 3.345 CV 1 OR { 918} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD2 )) ASSI { 922} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HA )) 2.800 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.39127E-02 ppm1 2.351 ppm2 4.238 CV 1 OR { 922} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HA )) ASSI { 923} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 3.200 1.300 1.300 peak 923 spectrum 1 weight 0.10000E+01 volume 0.18047E-02 ppm1 2.356 ppm2 4.095 CV 1 OR { 923} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB2 )) OR { 923} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB1 )) ASSI { 925} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 2.512 ppm2 4.095 CV 1 OR { 925} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 925} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 57 and name HA2 )) ASSI { 944} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD2%) 2.900 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 1.730 ppm2 1.063 CV 1 OR { 944} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 10 and name HD1%) ASSI { 949} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HD1%) 2.500 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.29895E-02 ppm1 1.286 ppm2 0.822 CV 1 OR { 949} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 60 and name HD1%) ASSI { 954} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 52 and name HD2%) 4.200 2.200 1.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.73898E-03 ppm1 2.037 ppm2 1.047 CV 1 OR { 954} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 10 and name HD1%) OR { 954} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 15 and name HG1%) OR { 954} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 52 and name HD2%) OR { 954} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 10 and name HD1%) OR { 954} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 15 and name HG1%) OR { 954} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 52 and name HD2%) OR { 954} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 15 and name HG1%) OR { 954} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 10 and name HD1%) OR { 954} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 52 and name HD2%) OR { 954} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 15 and name HG1%) OR { 954} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 10 and name HD1%) OR { 954} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 74 and name HD1%) ASSI { 955} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG1%) 4.000 2.000 2.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 2.279 ppm2 1.129 CV 1 OR { 955} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 48 and name HG2%) ASSI { 958} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HB2 )) 1.800 0.400 0.400 peak 958 spectrum 1 weight 0.10000E+01 volume 0.86374E-02 ppm1 1.873 ppm2 1.622 CV 1 OR { 958} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 31 and name HB1 )) ASSI { 960} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG2 )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.56002E-02 ppm1 2.034 ppm2 1.706 CV 1 OR { 960} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HG2 )) OR { 960} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) ASSI { 963} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG1 )) 2.700 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.48571E-02 ppm1 2.270 ppm2 2.631 CV 1 OR { 963} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG1 )) ASSI { 964} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 1.800 0.400 0.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.14804E-01 ppm1 2.278 ppm2 2.478 CV 1 OR { 964} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) OR { 964} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG2 )) ASSI { 973} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB1 )) 1.500 0.300 0.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.39268E-01 ppm1 2.132 ppm2 2.275 CV 1 OR { 973} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HB1 )) ASSI { 977} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG2 )) 2.300 0.700 0.700 peak 977 spectrum 1 weight 0.10000E+01 volume 0.10440E-01 ppm1 2.253 ppm2 2.413 CV 1 OR { 977} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 68 and name HB )) OR { 977} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) OR { 977} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG1 )) ASSI { 983} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) 2.900 1.100 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 1.610 ppm2 3.020 CV 1 OR { 983} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) ASSI { 989} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.900 1.100 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 2.040 ppm2 4.241 CV 1 OR { 989} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HA )) ASSI { 993} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.44375E-02 ppm1 2.274 ppm2 4.399 CV 1 OR { 993} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI { 994} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.31577E-02 ppm1 2.131 ppm2 4.398 CV 1 OR { 994} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI { 995} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.54368E-02 ppm1 2.274 ppm2 4.225 CV 1 OR { 995} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 1002} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.900 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 2.274 ppm2 7.834 CV 1 OR { 1002} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 85 and name HN )) OR { 1002} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) ASSI { 1008} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.500 1.500 1.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.79641E-03 ppm1 2.136 ppm2 7.837 CV 1 OR { 1008} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HN )) ASSI { 1012} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 1.860 ppm2 8.464 CV 1 OR { 1012} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 1015} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.700 1.700 1.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.97915E-03 ppm1 2.037 ppm2 8.414 CV 1 OR { 1015} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 14 and name HN )) OR { 1015} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 14 and name HN )) OR { 1015} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HN )) ASSI { 1020} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.000 2.000 2.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.75961E-03 ppm1 2.184 ppm2 7.559 CV 1 OR { 1020} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HE )) ASSI { 1022} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 2.188 ppm2 8.448 CV 1 OR { 1022} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 1033} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) 3.200 1.200 1.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.17649E-02 ppm1 2.048 ppm2 7.333 CV 1 OR { 1033} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE )) OR { 1033} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE )) OR { 1033} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 1038} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.900 1.100 1.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.36436E-02 ppm1 1.901 ppm2 4.097 CV 1 OR { 1038} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 54 and name HB2 )) ASSI { 1057} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) 2.100 0.500 0.500 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.95307E-02 ppm1 2.212 ppm2 1.015 CV 1 OR { 1057} (( segid " " and resid 64 and name HB )) ( segid " " and resid 60 and name HG2%) ASSI { 1067} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 14 and name HD2%) 3.300 1.300 1.300 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.96251E-03 ppm1 2.255 ppm2 0.895 CV 1 OR { 1067} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 38 and name HD1%) OR { 1067} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 75 and name HD2%) ASSI { 1068} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD2%) 4.200 2.200 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.46113E-03 ppm1 2.253 ppm2 0.781 CV 1 OR { 1068} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 14 and name HD1%) OR { 1068} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 75 and name HD1%) ASSI { 1073} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HB2 )) 4.100 2.100 1.900 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.34587E-03 ppm1 2.854 ppm2 1.532 CV 1 OR { 1073} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 49 and name HB% ) ASSI { 1074} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HB2 )) 5.200 3.400 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.29164E-03 ppm1 2.765 ppm2 1.525 CV 1 OR { 1074} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 49 and name HB% ) ASSI { 1091} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) 2.300 0.700 0.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.50063E-02 ppm1 2.305 ppm2 2.846 CV 1 OR { 1091} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 62 and name HB1 )) ASSI { 1097} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HB2 )) 4.700 2.800 1.300 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.69320E-03 ppm1 2.851 ppm2 2.185 CV 1 OR { 1097} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 64 and name HB )) ASSI { 1114} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 2.307 ppm2 4.268 CV 1 OR { 1114} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 43 and name HA )) ASSI { 1117} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 2.900 1.000 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.30044E-02 ppm1 2.851 ppm2 4.268 CV 1 OR { 1117} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 43 and name HA )) ASSI { 1118} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) 2.900 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 2.766 ppm2 4.268 CV 1 OR { 1118} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 43 and name HA )) ASSI { 1121} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA2 )) 4.700 2.700 1.300 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.20966E-03 ppm1 2.841 ppm2 3.897 CV 1 OR { 1121} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HA )) ASSI { 1122} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HA2 )) 4.800 2.900 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.33750E-03 ppm1 2.760 ppm2 3.879 CV 1 OR { 1122} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HA )) ASSI { 1132} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.51158E-02 ppm1 2.290 ppm2 8.229 CV 1 OR { 1132} (( segid " " and resid 15 and name HB )) (( segid " " and resid 19 and name HN )) ASSI { 1137} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HN )) 3.500 1.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.23585E-02 ppm1 2.762 ppm2 8.236 CV 1 OR { 1137} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 65 and name HN )) ASSI { 1149} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 3.300 1.400 1.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 2.411 ppm2 7.476 CV 1 OR { 1149} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HN )) ASSI { 1156} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HG )) 4.400 2.400 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.51872E-03 ppm1 2.411 ppm2 0.969 CV 1 OR { 1156} (( segid " " and resid 68 and name HB )) ( segid " " and resid 64 and name HG1%) OR { 1156} (( segid " " and resid 68 and name HB )) ( segid " " and resid 77 and name HD2%) ASSI { 1158} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) 2.100 0.600 0.600 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.85460E-02 ppm1 2.137 ppm2 0.958 CV 1 OR { 1158} (( segid " " and resid 58 and name HB )) ( segid " " and resid 82 and name HD2%) ASSI { 1222} (( segid " " and resid 16 and name HG1 )) ( segid " " and resid 52 and name HD2%) 4.200 2.200 1.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.52878E-03 ppm1 2.623 ppm2 1.036 CV 1 OR { 1222} (( segid " " and resid 16 and name HG1 )) ( segid " " and resid 15 and name HG1%) ASSI { 1224} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD1%) 4.400 2.400 1.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.60943E-03 ppm1 2.770 ppm2 0.890 CV 1 OR { 1224} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 78 and name HG2%) ASSI { 1225} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD2%) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.22232E-03 ppm1 3.096 ppm2 0.961 CV 1 OR { 1225} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 82 and name HD1%) ASSI { 1226} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD1%) 3.800 1.800 1.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.53909E-03 ppm1 3.097 ppm2 0.881 CV 1 OR { 1226} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1242} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 17 and name HN )) 5.200 3.300 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.31289E-03 ppm1 2.396 ppm2 7.826 CV 1 OR { 1242} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 18 and name HN )) ASSI { 1279} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.500 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.26173E-02 ppm1 3.590 ppm2 4.376 CV 1 OR { 1279} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1280} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.100 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.17699E-02 ppm1 3.093 ppm2 4.377 CV 1 OR { 1280} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1309} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD2%) 3.000 1.100 1.100 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 2.789 ppm2 0.974 CV 1 OR { 1309} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG2%) OR { 1309} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 1311} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD2%) 2.400 0.700 0.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.45875E-02 ppm1 3.459 ppm2 0.980 CV 1 OR { 1311} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD1%) OR { 1311} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 1329} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 3.600 1.700 1.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.13962E-02 ppm1 2.460 ppm2 7.719 CV 1 OR { 1329} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 1345} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.41594E-02 ppm1 3.018 ppm2 8.058 CV 1 OR { 1345} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 1346} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.300 1.300 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.11618E-02 ppm1 3.300 ppm2 8.037 CV 1 OR { 1346} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1347} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.44089E-02 ppm1 2.841 ppm2 8.491 CV 1 OR { 1347} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) OR { 1347} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) OR { 1347} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) ASSI { 1350} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.900 1.000 1.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.25221E-02 ppm1 2.758 ppm2 8.615 CV 1 OR { 1350} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) ASSI { 1356} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HE% ) 4.900 3.000 1.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.47966E-03 ppm1 3.297 ppm2 7.204 CV 1 OR { 1356} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 1358} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.69779E-03 ppm1 3.016 ppm2 7.207 CV 1 OR { 1358} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 1372} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 3.014 ppm2 4.371 CV 1 OR { 1372} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) OR { 1372} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1382} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 21 and name HA )) 4.700 2.700 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.52949E-03 ppm1 2.836 ppm2 4.537 CV 1 OR { 1382} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HA )) OR { 1382} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 21 and name HA )) OR { 1382} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 61 and name HA )) ASSI { 1393} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 44 and name HB% ) 4.000 2.000 2.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.11980E-02 ppm1 3.015 ppm2 1.528 CV 1 OR { 1393} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG12)) ASSI { 1394} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 49 and name HB% ) 4.300 2.300 1.700 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.40024E-03 ppm1 2.839 ppm2 1.543 CV 1 OR { 1394} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1395} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HG12)) 3.000 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.18905E-02 ppm1 2.782 ppm2 1.528 CV 1 OR { 1395} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 44 and name HB% ) ASSI { 1397} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 21 and name HG2%) 4.600 2.600 1.400 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.38579E-03 ppm1 2.845 ppm2 1.259 CV 1 OR { 1397} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 21 and name HG2%) OR { 1397} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 24 and name HG2%) ASSI { 1400} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HB2 )) 4.200 2.200 1.800 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.32701E-03 ppm1 3.014 ppm2 1.242 CV 1 OR { 1400} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 68 and name HG2%) ASSI { 1401} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD2%) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.19509E-02 ppm1 3.019 ppm2 1.066 CV 1 OR { 1401} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HG2%) ASSI { 1402} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 33 and name HD2%) 3.400 1.500 1.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.21791E-02 ppm1 3.298 ppm2 1.066 CV 1 OR { 1402} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 1416} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HN )) 4.200 2.200 1.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.36302E-03 ppm1 3.019 ppm2 8.466 CV 1 OR { 1416} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HN )) OR { 1416} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 1419} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 4.700 2.800 1.300 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.41866E-03 ppm1 2.673 ppm2 8.037 CV 1 OR { 1419} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 32 and name HN )) ASSI { 1420} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HN )) 4.700 2.700 1.300 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.32999E-03 ppm1 2.896 ppm2 8.038 CV 1 OR { 1420} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1424} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.900 1.100 1.100 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.16177E-02 ppm1 2.704 ppm2 9.034 CV 1 OR { 1424} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 6 and name HN )) ASSI { 1434} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 3.600 1.600 1.600 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 1.628 ppm2 8.234 CV 1 OR { 1434} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 65 and name HN )) ASSI { 1443} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HN )) 4.300 2.300 1.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.75322E-03 ppm1 2.711 ppm2 8.835 CV 1 OR { 1443} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HN )) OR { 1443} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HN )) OR { 1443} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HN )) OR { 1443} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 7 and name HN )) ASSI { 1444} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.900 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.19954E-02 ppm1 2.707 ppm2 8.070 CV 1 OR { 1444} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 1445} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.50433E-02 ppm1 2.709 ppm2 7.889 CV 1 OR { 1445} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) OR { 1445} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HN )) ASSI { 1450} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.700 1.700 1.700 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.52469E-03 ppm1 3.088 ppm2 7.718 CV 1 OR { 1450} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 1451} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.68130E-03 ppm1 2.991 ppm2 7.722 CV 1 OR { 1451} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 1452} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.900 1.100 1.100 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.30213E-02 ppm1 3.038 ppm2 8.055 CV 1 OR { 1452} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1454} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HN )) 4.000 2.000 2.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.36988E-03 ppm1 3.099 ppm2 8.468 CV 1 OR { 1454} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 1455} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.81953E-03 ppm1 2.997 ppm2 8.465 CV 1 OR { 1455} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 1459} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.36273E-02 ppm1 2.339 ppm2 8.069 CV 1 OR { 1459} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) ASSI { 1462} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.71448E-03 ppm1 2.349 ppm2 7.216 CV 1 OR { 1462} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 30 and name HE% ) ASSI { 1470} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.29099E-02 ppm1 3.040 ppm2 4.548 CV 1 OR { 1470} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HA )) ASSI { 1474} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.47059E-02 ppm1 2.705 ppm2 4.560 CV 1 OR { 1474} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 1479} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.900 1.100 1.100 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.14593E-02 ppm1 2.338 ppm2 3.870 CV 1 OR { 1479} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 1484} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HA )) 3.900 1.900 1.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.16263E-02 ppm1 1.632 ppm2 4.278 CV 1 OR { 1484} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) ASSI { 1487} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.20721E-02 ppm1 1.509 ppm2 3.891 CV 1 OR { 1487} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 66 and name HA2 )) ASSI { 1488} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.22308E-02 ppm1 1.511 ppm2 4.271 CV 1 OR { 1488} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HA )) ASSI { 1503} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) 3.300 1.400 1.400 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.18052E-02 ppm1 3.043 ppm2 1.577 CV 1 OR { 1503} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 1503} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) ASSI { 1504} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 2.703 ppm2 1.577 CV 1 OR { 1504} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HB2 )) OR { 1504} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) ASSI { 1505} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 6 and name HG2%) 3.400 1.400 1.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.14354E-02 ppm1 2.710 ppm2 1.396 CV 1 OR { 1505} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 7 and name HG2%) OR { 1505} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 6 and name HG2%) OR { 1505} (( segid " " and resid 8 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 1505} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 1505} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HG1 )) OR { 1505} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 1509} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 10 and name HD1%) 3.300 1.400 1.400 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.29830E-02 ppm1 2.339 ppm2 1.050 CV 1 OR { 1509} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 31 and name HB2 )) OR { 1509} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 74 and name HD1%) ASSI { 1521} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 14 and name HD1%) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.39975E-02 ppm1 1.449 ppm2 0.778 CV 1 OR { 1521} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 26 and name HD2%) ASSI { 1534} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 1.700 0.400 0.500 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.11462E-01 ppm1 1.031 ppm2 1.632 CV 1 OR { 1534} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1537} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD2%) 4.100 2.100 1.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.75787E-03 ppm1 2.336 ppm2 0.883 CV 1 OR { 1537} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 52 and name HD1%) OR { 1537} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 14 and name HD2%) ASSI { 1538} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.60004E-03 ppm1 3.098 ppm2 1.853 CV 1 OR { 1538} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HG11)) ASSI { 1541} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.600 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.31842E-02 ppm1 1.593 ppm2 9.432 CV 1 OR { 1541} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) ASSI { 1544} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.44811E-02 ppm1 1.550 ppm2 8.721 CV 1 OR { 1544} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 1548} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 2.400 0.700 0.700 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.45471E-02 ppm1 2.017 ppm2 8.279 CV 1 OR { 1548} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HN )) ASSI { 1551} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) 2.300 0.700 0.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.49480E-02 ppm1 2.197 ppm2 8.715 CV 1 OR { 1551} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) ASSI { 1566} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 79 and name HD21)) 3.000 1.100 1.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 1.591 ppm2 7.330 CV 1 OR { 1566} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HD21)) ASSI { 1577} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.600 0.900 0.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.40397E-02 ppm1 2.037 ppm2 4.285 CV 1 OR { 1577} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) ASSI { 1578} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.39617E-02 ppm1 1.914 ppm2 4.286 CV 1 OR { 1578} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 1586} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.600 0.800 0.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 1.605 ppm2 4.367 CV 1 OR { 1586} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 3 and name HA )) ASSI { 1588} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 1.483 ppm2 4.363 CV 1 OR { 1588} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 3 and name HA )) ASSI { 1594} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB1 )) 1.700 0.400 0.500 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.88176E-02 ppm1 1.703 ppm2 2.426 CV 1 OR { 1594} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 68 and name HB )) ASSI { 1607} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HG )) 2.500 0.800 0.800 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.33434E-02 ppm1 2.198 ppm2 1.691 CV 1 OR { 1607} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 13 and name HB% ) ASSI { 1611} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD2%) 2.900 1.100 1.100 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.17895E-02 ppm1 2.205 ppm2 1.044 CV 1 OR { 1611} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 1614} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) 2.300 0.700 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.75348E-02 ppm1 2.018 ppm2 0.980 CV 1 OR { 1614} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD1%) OR { 1614} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 1614} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD2%) OR { 1614} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 4 and name HD2%) ASSI { 1615} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) 2.600 0.900 0.900 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.36347E-02 ppm1 1.911 ppm2 0.963 CV 1 OR { 1615} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 1615} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 64 and name HG1%) ASSI { 1618} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD2%) 2.500 0.800 0.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.52745E-02 ppm1 1.778 ppm2 1.061 CV 1 OR { 1618} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 1642} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.29091E-02 ppm1 3.448 ppm2 2.184 CV 1 OR { 1642} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 1647} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB2 )) 2.500 0.800 0.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.52469E-02 ppm1 3.308 ppm2 2.021 CV 1 OR { 1647} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB1 )) OR { 1647} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB2 )) ASSI { 1648} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 2.700 0.900 0.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.48948E-02 ppm1 3.448 ppm2 1.963 CV 1 OR { 1648} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) ASSI { 1651} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HG2 )) 2.700 0.900 0.900 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.43523E-02 ppm1 3.310 ppm2 1.718 CV 1 OR { 1651} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG2 )) ASSI { 1654} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG1%) 3.000 1.100 1.100 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.74317E-03 ppm1 3.272 ppm2 0.982 CV 1 OR { 1654} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG1%) OR { 1654} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1661} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 13 and name HA )) 3.800 1.800 1.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.52490E-03 ppm1 3.445 ppm2 4.399 CV 1 OR { 1661} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HA )) ASSI { 1662} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 13 and name HA )) 3.100 3.100 2.900 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.59039E-03 ppm1 3.304 ppm2 4.401 CV 1 OR { 1662} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 13 and name HA )) OR { 1662} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 48 and name HB )) OR { 1662} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 14 and name HA )) OR { 1662} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 54 and name HA )) ASSI { 1664} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HA )) 4.300 2.300 1.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.45285E-03 ppm1 3.442 ppm2 4.237 CV 1 OR { 1664} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 16 and name HA )) ASSI { 1665} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HA )) 4.100 2.100 1.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.49703E-03 ppm1 3.300 ppm2 4.235 CV 1 OR { 1665} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 16 and name HA )) ASSI { 1666} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 54 and name HB2 )) 3.600 3.600 2.400 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.21759E-03 ppm1 3.449 ppm2 4.113 CV 1 OR { 1666} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 54 and name HB1 )) OR { 1666} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 55 and name HA )) ASSI { 1669} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 48 and name HA )) 3.400 3.400 2.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.34307E-03 ppm1 3.441 ppm2 3.960 CV 1 OR { 1669} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 49 and name HA )) ASSI { 1670} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 48 and name HA )) 3.500 3.500 2.500 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.26127E-03 ppm1 3.303 ppm2 3.963 CV 1 OR { 1670} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 49 and name HA )) ASSI { 1694} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HE )) 3.100 1.200 1.200 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16466E-02 ppm1 3.354 ppm2 8.001 CV 1 OR { 1694} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HN )) ASSI { 1697} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HN )) 6.000 4.800 0.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.10290E-03 ppm1 3.026 ppm2 8.094 CV 1 OR { 1697} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 56 and name HN )) ASSI { 1701} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HN )) 4.400 2.400 1.600 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.51632E-03 ppm1 3.446 ppm2 8.462 CV 1 OR { 1701} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HN )) ASSI { 1702} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HN )) 4.500 2.500 1.500 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.40142E-03 ppm1 3.358 ppm2 8.471 CV 1 OR { 1702} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 35 and name HN )) ASSI { 1707} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 20 and name HN )) 2.200 0.600 0.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.13341E-01 ppm1 4.077 ppm2 8.491 CV 1 OR { 1707} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 23 and name HN )) OR { 1707} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 23 and name HN )) OR { 1707} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 20 and name HN )) ASSI { 1727} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB2 )) 2.900 2.900 3.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 4.080 ppm2 2.843 CV 1 OR { 1727} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB1 )) OR { 1727} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB2 )) OR { 1727} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB1 )) OR { 1727} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 22 and name HB1 )) ASSI { 1734} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 82 and name HN )) 4.000 2.000 2.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.72786E-03 ppm1 4.021 ppm2 8.293 CV 1 OR { 1734} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 82 and name HN )) OR { 1734} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HN )) ASSI { 1750} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) 3.100 1.200 1.200 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.33918E-02 ppm1 4.027 ppm2 1.612 CV 1 OR { 1750} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 81 and name HB% ) OR { 1750} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) OR { 1750} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 81 and name HB% ) ASSI { 1754} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HN )) 3.500 1.500 1.500 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.28490E-03 ppm1 2.807 ppm2 8.480 CV 1 OR { 1754} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 34 and name HN )) ASSI { 1787} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG2%) 3.600 1.600 1.600 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.39496E-02 ppm1 4.013 ppm2 1.025 CV 1 OR { 1787} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HG2%) ASSI { 1788} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG2%) 2.100 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.64286E-02 ppm1 3.576 ppm2 1.026 CV 1 OR { 1788} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) ASSI { 1794} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) 3.400 1.400 1.400 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.50472E-03 ppm1 2.813 ppm2 0.881 CV 1 OR { 1794} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 14 and name HD2%) OR { 1794} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 75 and name HD2%) ASSI { 1801} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.36245E-02 ppm1 4.377 ppm2 7.839 CV 1 OR { 1801} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 1819} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.600 0.800 0.800 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.57038E-02 ppm1 4.727 ppm2 8.498 CV 1 OR { 1819} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 1820} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.200 0.600 0.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.11464E-01 ppm1 4.716 ppm2 8.474 CV 1 OR { 1820} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) OR { 1820} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 1833} (( segid " " and resid 26 and name HA )) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.82663E-03 ppm1 4.370 ppm2 7.308 CV 1 OR { 1833} (( segid " " and resid 26 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 1841} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.400 1.500 1.500 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 4.461 ppm2 2.131 CV 1 OR { 1841} (( segid " " and resid 81 and name HA )) (( segid " " and resid 58 and name HB )) ASSI { 1851} (( segid " " and resid 32 and name HA )) ( segid " " and resid 70 and name HG2%) 3.200 1.300 1.300 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.19739E-02 ppm1 5.055 ppm2 1.069 CV 1 OR { 1851} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 1853} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) 2.300 0.700 0.700 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.50290E-02 ppm1 4.366 ppm2 0.983 CV 1 OR { 1853} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD2%) ASSI { 1854} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD1%) 3.200 1.300 1.300 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.73066E-02 ppm1 4.365 ppm2 0.886 CV 1 OR { 1854} (( segid " " and resid 4 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 1855} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 3.400 1.400 1.400 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.25667E-02 ppm1 4.315 ppm2 1.071 CV 1 OR { 1855} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1857} (( segid " " and resid 26 and name HA )) ( segid " " and resid 38 and name HG2%) 4.000 2.000 2.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.49787E-03 ppm1 4.357 ppm2 1.071 CV 1 OR { 1857} (( segid " " and resid 26 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 1860} (( segid " " and resid 83 and name HA )) ( segid " " and resid 4 and name HD1%) 2.700 2.700 3.300 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.13136E-02 ppm1 4.285 ppm2 0.879 CV 1 OR { 1860} (( segid " " and resid 83 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 1870} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.500 0.800 0.800 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.40205E-02 ppm1 4.743 ppm2 8.472 CV 1 OR { 1870} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 1894} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) 2.600 0.900 0.900 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.46885E-02 ppm1 3.983 ppm2 0.969 CV 1 OR { 1894} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 1894} (( segid " " and resid 65 and name HA )) (( segid " " and resid 74 and name HG )) OR { 1894} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 1907} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.800 1.800 1.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.20919E-02 ppm1 4.407 ppm2 2.271 CV 1 OR { 1907} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HB )) ASSI { 1915} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.400 1.400 1.400 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 4.219 ppm2 7.959 CV 1 OR { 1915} (( segid " " and resid 82 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 1928} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.500 0.800 0.800 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.58350E-02 ppm1 4.454 ppm2 2.837 CV 1 OR { 1928} (( segid " " and resid 62 and name HA )) (( segid " " and resid 46 and name HG1 )) ASSI { 1929} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.600 0.900 0.900 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.45423E-02 ppm1 4.455 ppm2 2.750 CV 1 OR { 1929} (( segid " " and resid 62 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 1930} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.64526E-02 ppm1 4.218 ppm2 1.567 CV 1 OR { 1930} (( segid " " and resid 82 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 1934} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.900 1.900 1.900 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.17452E-02 ppm1 3.960 ppm2 2.216 CV 1 OR { 1934} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 1935} (( segid " " and resid 49 and name HA )) ( segid " " and resid 13 and name HB% ) 4.600 2.600 1.400 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.53700E-03 ppm1 3.956 ppm2 1.650 CV 1 OR { 1935} (( segid " " and resid 49 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 1939} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HB% ) 3.900 1.900 1.900 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.92224E-03 ppm1 4.392 ppm2 1.594 CV 1 OR { 1939} (( segid " " and resid 84 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 1941} (( segid " " and resid 62 and name HA )) ( segid " " and resid 60 and name HG2%) 4.000 2.000 2.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.54710E-03 ppm1 4.454 ppm2 1.032 CV 1 OR { 1941} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 1944} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD1%) 3.500 1.500 1.500 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 3.952 ppm2 1.061 CV 1 OR { 1944} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD2%) OR { 1944} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 1945} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) 2.600 0.900 0.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.36936E-02 ppm1 3.954 ppm2 0.861 CV 1 OR { 1945} (( segid " " and resid 49 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 1951} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.300 0.600 0.600 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.72847E-02 ppm1 3.893 ppm2 1.528 CV 1 OR { 1951} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 1951} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 1953} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.23412E-02 ppm1 3.895 ppm2 1.126 CV 1 OR { 1953} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) ASSI { 1958} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.000 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.17136E-02 ppm1 3.311 ppm2 1.633 CV 1 OR { 1958} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 1959} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD1%) 2.200 0.600 0.600 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.99339E-02 ppm1 4.215 ppm2 1.049 CV 1 OR { 1959} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 1960} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD1%) 3.300 1.300 1.300 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.13057E-02 ppm1 4.216 ppm2 0.865 CV 1 OR { 1960} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 1971} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 2.200 0.600 0.600 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.76262E-02 ppm1 4.280 ppm2 1.901 CV 1 OR { 1971} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) ASSI { 1980} (( segid " " and resid 40 and name HA )) ( segid " " and resid 44 and name HB% ) 3.000 1.100 1.100 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.35152E-02 ppm1 4.590 ppm2 1.525 CV 1 OR { 1980} (( segid " " and resid 40 and name HA )) (( segid " " and resid 38 and name HG12)) ASSI { 1984} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.900 1.000 1.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.33726E-02 ppm1 4.556 ppm2 2.028 CV 1 OR { 1984} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 1984} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 1989} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.900 1.100 1.100 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.26209E-02 ppm1 4.315 ppm2 2.423 CV 1 OR { 1989} (( segid " " and resid 74 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 1990} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.30533E-02 ppm1 4.315 ppm2 2.219 CV 1 OR { 1990} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 1991} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) 2.000 0.500 0.500 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.15027E-01 ppm1 4.313 ppm2 1.049 CV 1 OR { 1991} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 1991} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2004} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.14618E-02 ppm1 3.893 ppm2 8.245 CV 1 OR { 2004} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 2006} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.000 1.100 1.100 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 4.316 ppm2 8.102 CV 1 OR { 2006} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) OR { 2006} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2020} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.80024E-03 ppm1 3.313 ppm2 8.048 CV 1 OR { 2020} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 2022} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) 3.400 1.500 1.500 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 3.313 ppm2 7.212 CV 1 OR { 2022} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) ASSI { 2037} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB )) 2.900 1.000 1.000 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 3.894 ppm2 1.940 CV 1 OR { 2037} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2040} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.75654E-02 ppm1 4.688 ppm2 0.967 CV 1 OR { 2040} (( segid " " and resid 56 and name HA )) (( segid " " and resid 55 and name HG2 )) OR { 2040} (( segid " " and resid 56 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 2040} (( segid " " and resid 58 and name HA )) ( segid " " and resid 82 and name HD2%) ASSI { 2046} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.50073E-02 ppm1 4.234 ppm2 2.346 CV 1 OR { 2046} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 2047} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.200 0.600 0.600 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.98579E-02 ppm1 4.237 ppm2 2.203 CV 1 OR { 2047} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2048} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.700 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.67957E-02 ppm1 4.242 ppm2 2.487 CV 1 OR { 2048} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG2 )) OR { 2048} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) ASSI { 2052} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.300 0.700 0.700 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.84026E-02 ppm1 4.270 ppm2 2.328 CV 1 OR { 2052} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) OR { 2052} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 2053} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.600 1.600 1.600 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.17741E-02 ppm1 4.270 ppm2 2.192 CV 1 OR { 2053} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HB2 )) OR { 2053} (( segid " " and resid 46 and name HA )) (( segid " " and resid 64 and name HB )) OR { 2053} (( segid " " and resid 77 and name HA )) (( segid " " and resid 64 and name HB )) ASSI { 2056} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.400 0.700 0.700 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.71121E-02 ppm1 4.234 ppm2 1.654 CV 1 OR { 2056} (( segid " " and resid 51 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 2058} (( segid " " and resid 74 and name HA )) ( segid " " and resid 49 and name HB% ) 3.200 3.200 2.800 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.34386E-02 ppm1 4.313 ppm2 1.526 CV 1 OR { 2058} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HB2 )) OR { 2058} (( segid " " and resid 52 and name HA )) ( segid " " and resid 49 and name HB% ) ASSI { 2059} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.900 1.000 1.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.43246E-02 ppm1 4.267 ppm2 1.527 CV 1 OR { 2059} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 2059} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HB% ) OR { 2059} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 2062} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD2%) 2.600 0.900 0.900 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.42463E-02 ppm1 4.274 ppm2 1.048 CV 1 OR { 2062} (( segid " " and resid 77 and name HA )) ( segid " " and resid 60 and name HG2%) ASSI { 2068} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 2.900 1.000 1.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.24930E-02 ppm1 4.234 ppm2 2.614 CV 1 OR { 2068} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG1 )) ASSI { 2069} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) 2.600 0.800 0.800 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.35885E-02 ppm1 4.253 ppm2 2.762 CV 1 OR { 2069} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) ASSI { 2070} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) 3.000 1.100 1.100 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.28734E-02 ppm1 4.216 ppm2 2.627 CV 1 OR { 2070} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG1 )) ASSI { 2071} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.100 1.200 1.200 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.21624E-02 ppm1 4.271 ppm2 2.845 CV 1 OR { 2071} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG1 )) OR { 2071} (( segid " " and resid 46 and name HA )) (( segid " " and resid 62 and name HB1 )) ASSI { 2072} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) 2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.29884E-02 ppm1 4.269 ppm2 2.765 CV 1 OR { 2072} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HB1 )) OR { 2072} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 2075} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) 3.500 1.500 1.500 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 4.372 ppm2 7.721 CV 1 OR { 2075} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2080} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.000 1.200 1.200 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.24207E-02 ppm1 4.215 ppm2 7.828 CV 1 OR { 2080} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2085} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.38700E-02 ppm1 4.242 ppm2 8.114 CV 1 OR { 2085} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2088} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 2.900 1.100 1.100 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.22724E-02 ppm1 4.270 ppm2 8.507 CV 1 OR { 2088} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 2094} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 3.000 1.200 1.200 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.18810E-02 ppm1 3.612 ppm2 8.722 CV 1 OR { 2094} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 2101} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.61576E-02 ppm1 4.569 ppm2 7.828 CV 1 OR { 2101} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2106} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.300 1.400 1.400 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 3.529 ppm2 7.334 CV 1 OR { 2106} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 2112} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HE )) 3.200 1.300 1.300 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 4.305 ppm2 7.321 CV 1 OR { 2112} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 2115} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HN )) 4.200 2.200 1.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.55037E-03 ppm1 4.034 ppm2 8.228 CV 1 OR { 2115} (( segid " " and resid 12 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 2119} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.800 1.000 1.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.33781E-02 ppm1 4.093 ppm2 2.767 CV 1 OR { 2119} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 2129} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.400 1.500 1.500 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 3.530 ppm2 1.904 CV 1 OR { 2129} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG )) OR { 2129} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HG1 )) ASSI { 2132} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG1 )) 2.500 0.800 0.800 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.45492E-02 ppm1 3.612 ppm2 1.639 CV 1 OR { 2132} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB1 )) ASSI { 2133} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 2.800 1.000 1.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.41312E-02 ppm1 3.610 ppm2 1.528 CV 1 OR { 2133} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 2134} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 2.900 1.100 1.100 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 3.530 ppm2 1.431 CV 1 OR { 2134} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB2 )) ASSI { 2138} (( segid " " and resid 72 and name HA )) ( segid " " and resid 10 and name HD2%) 3.800 1.800 1.800 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.90294E-03 ppm1 3.614 ppm2 1.136 CV 1 OR { 2138} (( segid " " and resid 72 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI { 2141} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD2%) 3.200 1.300 1.300 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 3.612 ppm2 0.789 CV 1 OR { 2141} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 2145} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG1%) 4.100 2.100 1.900 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.10813E-02 ppm1 4.034 ppm2 1.031 CV 1 OR { 2145} (( segid " " and resid 12 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 2146} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG )) 3.100 1.200 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.16404E-02 ppm1 4.270 ppm2 1.377 CV 1 OR { 2146} (( segid " " and resid 42 and name HA )) ( segid " " and resid 65 and name HB% ) ASSI { 2147} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.23110E-02 ppm1 4.272 ppm2 1.513 CV 1 OR { 2147} (( segid " " and resid 42 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2158} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.800 1.000 1.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.31400E-02 ppm1 4.386 ppm2 8.047 CV 1 OR { 2158} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 2159} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 3.600 1.600 1.600 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.19966E-02 ppm1 4.446 ppm2 7.474 CV 1 OR { 2159} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) ASSI { 2161} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.31526E-02 ppm1 4.663 ppm2 7.720 CV 1 OR { 2161} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2163} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 2.100 0.500 0.500 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.21347E-01 ppm1 4.387 ppm2 4.114 CV 1 OR { 2163} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) OR { 2163} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 2178} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.73515E-02 ppm1 4.112 ppm2 8.049 CV 1 OR { 2178} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) OR { 2178} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) OR { 2178} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 2181} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) 3.900 1.900 1.900 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 4.377 ppm2 7.722 CV 1 OR { 2181} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2216} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.37411E-02 ppm1 4.145 ppm2 7.827 CV 1 OR { 2216} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) ASSI { 2217} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 4.058 ppm2 7.825 CV 1 OR { 2217} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 2219} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.37018E-02 ppm1 3.745 ppm2 8.276 CV 1 OR { 2219} (( segid " " and resid 78 and name HA )) (( segid " " and resid 82 and name HN )) ASSI { 2229} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HA )) 3.900 1.900 1.900 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.40303E-03 ppm1 3.758 ppm2 4.689 CV 1 OR { 2229} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 2230} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 4.200 2.200 1.800 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.48325E-03 ppm1 3.803 ppm2 4.681 CV 1 OR { 2230} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HA )) ASSI { 2233} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.79105E-03 ppm1 4.140 ppm2 4.407 CV 1 OR { 2233} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 48 and name HB )) ASSI { 2236} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 48 and name HB )) 3.900 1.900 1.900 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.92775E-03 ppm1 4.053 ppm2 4.410 CV 1 OR { 2236} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HA )) ASSI { 2246} (( segid " " and resid 78 and name HA )) (( segid " " and resid 58 and name HB )) 4.400 2.400 1.600 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.51566E-03 ppm1 3.755 ppm2 2.138 CV 1 OR { 2246} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 2246} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HG1 )) ASSI { 2250} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.900 1.900 1.900 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.76134E-03 ppm1 4.147 ppm2 1.535 CV 1 OR { 2250} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 18 and name HB% ) ASSI { 2251} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) 3.900 1.900 1.900 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.94975E-03 ppm1 4.062 ppm2 1.529 CV 1 OR { 2251} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) ASSI { 2255} (( segid " " and resid 78 and name HA )) ( segid " " and resid 58 and name HG2%) 3.000 1.200 1.200 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.27161E-02 ppm1 3.748 ppm2 0.969 CV 1 OR { 2255} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 2255} (( segid " " and resid 78 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 2255} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD1%) OR { 2255} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 58 and name HG2%) ASSI { 2256} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.300 0.600 0.600 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.84209E-02 ppm1 3.746 ppm2 0.867 CV 1 OR { 2256} (( segid " " and resid 78 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 2266} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.000 1.100 1.100 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 3.944 ppm2 8.225 CV 1 OR { 2266} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 2267} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.300 1.300 1.300 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11995E-02 ppm1 3.943 ppm2 7.833 CV 1 OR { 2267} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 2276} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HA )) 4.400 2.500 1.600 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.47686E-03 ppm1 3.940 ppm2 4.378 CV 1 OR { 2276} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HA )) OR { 2276} (( segid " " and resid 15 and name HA )) (( segid " " and resid 13 and name HA )) ASSI { 2289} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB1 )) 3.300 1.400 1.400 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.13266E-02 ppm1 3.825 ppm2 2.080 CV 1 OR { 2289} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 2290} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.22725E-02 ppm1 4.235 ppm2 2.421 CV 1 OR { 2290} (( segid " " and resid 71 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 2304} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD2%) 3.200 1.300 1.300 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.19890E-02 ppm1 4.233 ppm2 1.131 CV 1 OR { 2304} (( segid " " and resid 71 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI { 2305} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.13856E-02 ppm1 4.230 ppm2 0.986 CV 1 OR { 2305} (( segid " " and resid 71 and name HA )) ( segid " " and resid 33 and name HD1%) ASSI { 2308} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD1%) 4.100 2.100 1.900 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.50714E-03 ppm1 4.230 ppm2 0.777 CV 1 OR { 2308} (( segid " " and resid 71 and name HA )) ( segid " " and resid 31 and name HD2%) OR { 2308} (( segid " " and resid 71 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 2310} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD2%) 3.500 1.500 1.500 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.10551E-02 ppm1 4.233 ppm2 0.890 CV 1 OR { 2310} (( segid " " and resid 71 and name HA )) ( segid " " and resid 38 and name HD1%) OR { 2310} (( segid " " and resid 71 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 2311} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) 4.200 2.200 1.800 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.36496E-03 ppm1 3.959 ppm2 8.423 CV 1 OR { 2311} (( segid " " and resid 48 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 2318} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.28178E-02 ppm1 3.870 ppm2 8.841 CV 1 OR { 2318} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 2325} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 3.400 1.400 1.400 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 3.964 ppm2 4.422 CV 1 OR { 2325} (( segid " " and resid 48 and name HA )) (( segid " " and resid 14 and name HA )) ASSI { 2335} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.200 1.300 1.300 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.12274E-02 ppm1 3.962 ppm2 2.027 CV 1 OR { 2335} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 2336} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.200 1.300 1.300 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.13958E-02 ppm1 3.961 ppm2 2.204 CV 1 OR { 2336} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB1 )) ASSI { 2338} (( segid " " and resid 48 and name HA )) ( segid " " and resid 13 and name HB% ) 3.800 1.800 1.800 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.87584E-03 ppm1 3.960 ppm2 1.677 CV 1 OR { 2338} (( segid " " and resid 48 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 2339} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.400 1.400 1.400 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.20151E-02 ppm1 3.869 ppm2 1.571 CV 1 OR { 2339} (( segid " " and resid 7 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 2343} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD1%) 2.900 1.100 1.100 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.25409E-02 ppm1 3.870 ppm2 0.795 CV 1 OR { 2343} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD2%) ASSI { 2351} (( segid " " and resid 48 and name HB )) (( segid " " and resid 48 and name HA )) 3.200 1.300 1.300 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 4.424 ppm2 3.954 CV 1 OR { 2351} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HA )) ASSI { 2353} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HN )) 2.900 1.100 1.100 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.24519E-02 ppm1 4.321 ppm2 8.842 CV 1 OR { 2353} (( segid " " and resid 7 and name HB )) (( segid " " and resid 11 and name HN )) ASSI { 2372} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HN )) 3.100 1.200 1.200 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.28650E-02 ppm1 4.374 ppm2 8.496 CV 1 OR { 2372} (( segid " " and resid 21 and name HB )) (( segid " " and resid 23 and name HN )) ASSI { 2378} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.21271E-02 ppm1 6.759 ppm2 0.881 CV 1 OR { 2378} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 2379} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD1%) 3.500 1.500 1.500 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.14130E-02 ppm1 6.815 ppm2 0.874 CV 1 OR { 2379} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 78 and name HG2%) ASSI { 2381} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) 3.500 1.500 1.500 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 6.760 ppm2 1.068 CV 1 OR { 2381} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD2%) OR { 2381} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD1%) OR { 2381} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 10 and name HD1%) ASSI { 2384} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB2 )) 2.800 2.800 3.200 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 6.815 ppm2 1.646 CV 1 OR { 2384} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 13 and name HB% ) OR { 2384} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 81 and name HB% ) ASSI { 2386} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB2 )) 3.400 1.400 1.400 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 6.817 ppm2 1.378 CV 1 OR { 2386} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG1 )) ASSI { 2387} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HG )) 4.800 2.900 1.200 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.52179E-03 ppm1 6.818 ppm2 2.030 CV 1 OR { 2387} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 82 and name HB1 )) ASSI { 2394} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) 3.000 1.100 1.100 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 6.816 ppm2 3.017 CV 1 OR { 2394} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HB1 )) ASSI { 2399} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HA )) 4.200 2.200 1.800 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.61382E-03 ppm1 6.762 ppm2 4.585 CV 1 OR { 2399} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 17 and name HA )) ASSI { 2401} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) 3.300 1.300 1.300 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 6.761 ppm2 4.389 CV 1 OR { 2401} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 48 and name HB )) OR { 2401} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HA )) ASSI { 2405} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HA )) 3.400 3.400 2.600 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.35303E-03 ppm1 6.816 ppm2 4.095 CV 1 OR { 2405} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 53 and name HA )) OR { 2405} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 57 and name HA2 )) OR { 2405} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 54 and name HB2 )) OR { 2405} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 57 and name HA1 )) ASSI { 2411} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 68 and name HG1%) 5.300 3.600 0.700 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.18754E-03 ppm1 6.892 ppm2 1.106 CV 1 OR { 2411} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 70 and name HG2%) OR { 2411} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 10 and name HD2%) ASSI { 2416} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD1%) 4.600 2.700 1.400 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.35377E-03 ppm1 6.892 ppm2 0.772 CV 1 OR { 2416} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 31 and name HD2%) OR { 2416} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 75 and name HD1%) ASSI { 2417} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.900 3.000 1.100 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.22429E-03 ppm1 6.894 ppm2 0.890 CV 1 OR { 2417} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 38 and name HD1%) OR { 2417} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 75 and name HD2%) ASSI { 2418} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HG )) 4.800 2.800 1.200 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.27736E-03 ppm1 6.894 ppm2 0.978 CV 1 OR { 2418} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 33 and name HD1%) ASSI { 2422} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 75 and name HD2%) 4.200 2.200 1.800 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.19288E-03 ppm1 7.344 ppm2 0.894 CV 1 OR { 2422} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 14 and name HD2%) OR { 2422} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 38 and name HD1%) ASSI { 2424} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.800 1.800 1.800 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.69095E-03 ppm1 7.350 ppm2 1.394 CV 1 OR { 2424} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HG1 )) ASSI { 2431} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) 3.000 1.100 1.100 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.21245E-02 ppm1 7.217 ppm2 1.387 CV 1 OR { 2431} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HG1 )) ASSI { 2433} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.000 1.100 1.100 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.19498E-02 ppm1 7.218 ppm2 0.893 CV 1 OR { 2433} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 38 and name HD1%) OR { 2433} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 75 and name HD2%) ASSI { 2434} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) 3.600 1.600 1.600 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.79217E-03 ppm1 7.218 ppm2 0.794 CV 1 OR { 2434} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 26 and name HD2%) OR { 2434} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 75 and name HD1%) ASSI { 2437} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 7.217 ppm2 2.036 CV 1 OR { 2437} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) OR { 2437} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) ASSI { 2438} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HG )) 3.300 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 7.217 ppm2 1.900 CV 1 OR { 2438} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 14 and name HG )) ASSI { 2439} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HB1 )) 4.400 2.400 1.600 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.70463E-03 ppm1 7.216 ppm2 3.299 CV 1 OR { 2439} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 31 and name HA )) ASSI { 2447} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.15539E-02 ppm1 6.929 ppm2 0.885 CV 1 OR { 2447} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 2452} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HG2%) 3.400 1.400 1.400 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.82591E-03 ppm1 6.974 ppm2 1.065 CV 1 OR { 2452} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD2%) OR { 2452} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD1%) OR { 2452} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 10 and name HD1%) OR { 2452} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 43 and name HD2%) ASSI { 2455} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG1%) 4.200 2.200 1.800 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.82612E-03 ppm1 6.930 ppm2 1.122 CV 1 OR { 2455} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 10 and name HD2%) ASSI { 2456} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.87492E-03 ppm1 6.928 ppm2 0.984 CV 1 OR { 2456} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 33 and name HD1%) OR { 2456} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 77 and name HD2%) ASSI { 2457} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HG2 )) 4.700 2.800 1.300 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.28168E-03 ppm1 7.115 ppm2 1.331 CV 1 OR { 2457} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 45 and name HG )) ASSI { 2459} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 68 and name HG1%) 4.700 2.700 1.300 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.48507E-03 ppm1 7.118 ppm2 1.108 CV 1 OR { 2459} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 48 and name HG2%) OR { 2459} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 10 and name HD2%) ASSI { 2461} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) 2.600 0.900 0.900 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.53245E-02 ppm1 6.975 ppm2 1.531 CV 1 OR { 2461} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) ASSI { 2464} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG12)) 4.800 2.900 1.200 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.37887E-03 ppm1 7.118 ppm2 1.535 CV 1 OR { 2464} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 44 and name HB% ) OR { 2464} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 45 and name HB2 )) ASSI { 2467} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 68 and name HB )) 5.300 3.500 0.700 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.25086E-03 ppm1 7.116 ppm2 2.437 CV 1 OR { 2467} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HB )) OR { 2467} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 74 and name HB1 )) ASSI { 2470} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.11248E-02 ppm1 7.119 ppm2 2.785 CV 1 OR { 2470} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HD2 )) ASSI { 2471} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HD2 )) 5.000 3.200 1.000 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.35293E-03 ppm1 6.931 ppm2 2.787 CV 1 OR { 2471} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 40 and name HB2 )) ASSI { 2479} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.82525E-03 ppm1 6.972 ppm2 4.376 CV 1 OR { 2479} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 14 and name HA )) OR { 2479} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 36 and name HA )) OR { 2479} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 18 and name HA )) ASSI { 2482} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HA )) 4.200 2.200 1.800 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 6.931 ppm2 4.383 CV 1 OR { 2482} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 14 and name HA )) ASSI { 2488} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HN )) 5.100 3.300 0.900 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.21593E-03 ppm1 6.930 ppm2 7.709 CV 1 OR { 2488} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 38 and name HN )) ASSI { 2494} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HN )) 5.100 3.200 0.900 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.22984E-03 ppm1 6.933 ppm2 8.469 CV 1 OR { 2494} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 45 and name HN )) ASSI { 2496} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HG2%) 3.700 1.700 1.700 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.92341E-03 ppm1 7.443 ppm2 0.882 CV 1 OR { 2496} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) ASSI { 2497} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) 3.900 1.900 1.900 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 7.308 ppm2 1.065 CV 1 OR { 2497} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 2497} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 10 and name HD1%) OR { 2497} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 70 and name HG2%) ASSI { 2498} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.100 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.15332E-02 ppm1 7.309 ppm2 0.888 CV 1 OR { 2498} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) ASSI { 2499} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) 3.800 1.800 1.800 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.52643E-03 ppm1 7.312 ppm2 0.793 CV 1 OR { 2499} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) ASSI { 2502} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG1 )) 3.300 1.400 1.400 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.78155E-03 ppm1 7.443 ppm2 1.383 CV 1 OR { 2502} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB2 )) ASSI { 2503} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 7 and name HG2%) 3.600 1.600 1.600 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.93576E-03 ppm1 7.307 ppm2 1.383 CV 1 OR { 2503} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HG1 )) ASSI { 2517} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 53 and name HA )) 4.300 2.300 1.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.72581E-03 ppm1 7.442 ppm2 4.099 CV 1 OR { 2517} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HA )) OR { 2517} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA2 )) OR { 2517} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA1 )) ASSI { 2522} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HA )) 3.500 1.500 1.500 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.41170E-03 ppm1 7.309 ppm2 4.362 CV 1 OR { 2522} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 35 and name HA )) ASSI { 2534} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 3.000 1.100 1.100 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.12235E-02 ppm1 1.942 ppm2 0.873 CV 1 OR { 2534} (( segid " " and resid 78 and name HB )) ( segid " " and resid 52 and name HD1%) ASSI { 2537} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) 3.900 1.900 1.900 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.94260E-03 ppm1 1.529 ppm2 2.328 CV 1 OR { 2537} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB1 )) OR { 2537} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB2 )) ASSI { 2538} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG1 )) 3.700 1.700 1.700 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.66190E-03 ppm1 1.529 ppm2 2.749 CV 1 OR { 2538} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HG2 )) ASSI { 2543} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HN )) 2.200 0.600 0.600 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.89340E-02 ppm1 1.392 ppm2 8.221 CV 1 OR { 2543} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HN )) ASSI { 2547} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 1.674 ppm2 8.405 CV 1 OR { 2547} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HN )) ASSI { 2549} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 17 and name HN )) 4.700 2.700 1.300 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.32407E-03 ppm1 1.673 ppm2 7.827 CV 1 OR { 2549} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 18 and name HN )) ASSI { 2559} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 43 and name HN )) 4.400 2.400 1.600 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 1.524 ppm2 7.790 CV 1 OR { 2559} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 2570} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HD1 )) 4.600 2.600 1.400 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.32323E-03 ppm1 1.677 ppm2 3.458 CV 1 OR { 2570} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 56 and name HB1 )) ASSI { 2571} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HB1 )) 3.700 1.700 1.700 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.21019E-03 ppm1 1.528 ppm2 3.310 CV 1 OR { 2571} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 51 and name HD2 )) ASSI { 2572} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HB1 )) 4.400 2.400 1.600 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.85450E-03 ppm1 1.674 ppm2 2.206 CV 1 OR { 2572} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB1 )) ASSI { 2582} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.40076E-03 ppm1 1.064 ppm2 8.458 CV 1 OR { 2582} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HN )) ASSI { 2583} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HN )) 3.500 1.600 1.600 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.50105E-03 ppm1 1.212 ppm2 8.020 CV 1 OR { 2583} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HN )) ASSI { 2588} (( segid " " and resid 34 and name HG1 )) ( segid " " and resid 70 and name HG2%) 4.200 2.200 1.800 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.95710E-03 ppm1 1.948 ppm2 1.079 CV 1 OR { 2588} (( segid " " and resid 34 and name HG1 )) ( segid " " and resid 33 and name HD2%) ASSI { 2593} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 1.900 0.500 0.500 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.83985E-02 ppm1 2.352 ppm2 2.486 CV 1 OR { 2593} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 2602} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD2%) 2.800 0.900 0.900 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.44777E-02 ppm1 1.648 ppm2 0.981 CV 1 OR { 2602} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 12} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.13994E-02 ppm1 7.722 ppm2 4.367 CV 1 OR { 12} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 20} (( segid " " and resid 11 and name HE )) ( segid " " and resid 15 and name HG2%) 3.400 3.400 2.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.52378E-03 ppm1 7.328 ppm2 1.139 CV 1 OR { 20} (( segid " " and resid 11 and name HE )) ( segid " " and resid 10 and name HD2%) ASSI { 56} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG2%) 4.300 2.400 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.23639E-03 ppm1 8.032 ppm2 1.055 CV 1 OR { 56} (( segid " " and resid 66 and name HN )) ( segid " " and resid 42 and name H31%) OR { 56} (( segid " " and resid 66 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 56} (( segid " " and resid 66 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 57} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG1%) 4.500 2.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.44276E-03 ppm1 8.031 ppm2 0.979 CV 1 OR { 57} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 57} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 66} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 4.200 2.200 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.47182E-03 ppm1 8.032 ppm2 4.450 CV 1 OR { 66} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 74} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30587E-02 ppm1 8.249 ppm2 7.840 CV 1 OR { 74} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 77} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB1 )) 3.300 1.400 1.400 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10609E-02 ppm1 7.675 ppm2 1.585 CV 1 OR { 77} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) OR { 77} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB1 )) ASSI { 80} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 82 and name HD1%) 4.300 2.300 1.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.69289E-03 ppm1 7.676 ppm2 0.967 CV 1 OR { 80} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD2%) ASSI { 81} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD1%) 3.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.15432E-02 ppm1 7.675 ppm2 0.882 CV 1 OR { 81} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 78 and name HG2%) OR { 81} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD2%) ASSI { 95} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 82 and name HD1%) 3.800 1.800 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.58488E-03 ppm1 7.329 ppm2 0.967 CV 1 OR { 95} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD2%) ASSI { 96} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD1%) 3.600 1.600 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.89222E-03 ppm1 7.335 ppm2 0.884 CV 1 OR { 96} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 78 and name HG2%) ASSI { 113} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HA )) 4.600 2.600 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.25961E-03 ppm1 7.328 ppm2 4.511 CV 1 OR { 113} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 76 and name HA )) ASSI { 124} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.200 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.10842E-01 ppm1 7.971 ppm2 4.094 CV 1 OR { 124} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA2 )) OR { 124} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 125} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12286E-02 ppm1 7.971 ppm2 4.677 CV 1 OR { 125} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 128} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD1%) 4.300 2.300 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.52449E-03 ppm1 8.421 ppm2 0.973 CV 1 OR { 128} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 128} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 130} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 4.200 2.200 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 8.422 ppm2 1.624 CV 1 OR { 130} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 137} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 8.424 ppm2 4.485 CV 1 OR { 137} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 151} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.600 1.700 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 8.050 ppm2 1.630 CV 1 OR { 151} (( segid " " and resid 32 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 159} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 4.200 2.200 1.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.52908E-03 ppm1 7.524 ppm2 2.783 CV 1 OR { 159} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 166} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.50931E-02 ppm1 7.526 ppm2 4.095 CV 1 OR { 166} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HA )) OR { 166} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 169} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) 4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.81897E-03 ppm1 7.529 ppm2 8.136 CV 1 OR { 169} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 176} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.300 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 7.721 ppm2 3.098 CV 1 OR { 176} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 177} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.85705E-03 ppm1 7.720 ppm2 2.998 CV 1 OR { 177} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 180} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.600 1.700 1.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 7.719 ppm2 4.374 CV 1 OR { 180} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 184} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 8.043 ppm2 4.251 CV 1 OR { 184} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 185} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.85562E-02 ppm1 8.043 ppm2 4.111 CV 1 OR { 185} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 185} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 186} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.92887E-03 ppm1 8.043 ppm2 2.766 CV 1 OR { 186} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 191} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HN )) 4.400 2.400 1.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.40442E-03 ppm1 7.718 ppm2 8.462 CV 1 OR { 191} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 194} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.200 1.300 1.300 peak 194 spectrum 1 weight 0.10000E+01 volume 0.25730E-02 ppm1 8.131 ppm2 4.097 CV 1 OR { 194} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) OR { 194} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 194} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 199} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.900 1.900 1.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.86940E-03 ppm1 8.128 ppm2 0.983 CV 1 OR { 199} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 199} (( segid " " and resid 56 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 201} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.600 1.600 1.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12180E-02 ppm1 7.822 ppm2 4.397 CV 1 OR { 201} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) OR { 201} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) OR { 201} (( segid " " and resid 17 and name HN )) (( segid " " and resid 48 and name HB )) ASSI { 209} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.31167E-02 ppm1 7.823 ppm2 8.222 CV 1 OR { 209} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 213} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) 5.600 3.900 0.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.17235E-03 ppm1 7.823 ppm2 2.617 CV 1 OR { 213} (( segid " " and resid 17 and name HN )) (( segid " " and resid 47 and name HG1 )) ASSI { 224} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.38806E-02 ppm1 8.926 ppm2 4.272 CV 1 OR { 224} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 228} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.900 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.47921E-02 ppm1 8.249 ppm2 8.490 CV 1 OR { 228} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 232} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.700 1.700 1.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.45124E-03 ppm1 8.250 ppm2 4.069 CV 1 OR { 232} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA1 )) OR { 232} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HA1 )) OR { 232} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HA2 )) ASSI { 233} (( segid " " and resid 42 and name HN )) ( segid " " and resid 44 and name HB% ) 5.200 3.400 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.18397E-03 ppm1 8.926 ppm2 1.523 CV 1 OR { 233} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 244} (( segid " " and resid 6 and name HN )) ( segid " " and resid 75 and name HD1%) 4.400 2.400 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.30096E-03 ppm1 9.037 ppm2 0.791 CV 1 OR { 244} (( segid " " and resid 6 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 245} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG1%) 4.200 2.200 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.46224E-03 ppm1 7.301 ppm2 0.972 CV 1 OR { 245} (( segid " " and resid 68 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 245} (( segid " " and resid 68 and name HN )) (( segid " " and resid 74 and name HG )) OR { 245} (( segid " " and resid 68 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 264} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) 3.100 1.200 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 8.842 ppm2 1.400 CV 1 OR { 264} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 266} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) 3.900 1.900 1.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.61750E-03 ppm1 8.839 ppm2 0.791 CV 1 OR { 266} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 275} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.100 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.11907E-01 ppm1 7.979 ppm2 2.037 CV 1 OR { 275} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 275} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 275} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 277} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.17205E-02 ppm1 7.978 ppm2 1.688 CV 1 OR { 277} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 279} (( segid " " and resid 12 and name HN )) ( segid " " and resid 10 and name HD2%) 4.400 2.400 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.69258E-03 ppm1 7.978 ppm2 1.142 CV 1 OR { 279} (( segid " " and resid 12 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 287} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HN )) 3.200 3.200 2.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.86680E-03 ppm1 7.977 ppm2 8.249 CV 1 OR { 287} (( segid " " and resid 12 and name HN )) (( segid " " and resid 27 and name HN )) OR { 287} (( segid " " and resid 12 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 288} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB1 )) 3.300 3.300 2.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.42297E-03 ppm1 7.979 ppm2 2.713 CV 1 OR { 288} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HB2 )) OR { 288} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 294} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HB2 )) 5.000 3.100 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.28150E-03 ppm1 8.843 ppm2 1.580 CV 1 OR { 294} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HB1 )) OR { 294} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 295} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 5.100 3.300 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.30205E-03 ppm1 8.842 ppm2 2.717 CV 1 OR { 295} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 295} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 296} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) 4.600 2.600 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.38494E-03 ppm1 8.139 ppm2 4.733 CV 1 OR { 296} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 306} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.28791E-02 ppm1 8.626 ppm2 2.746 CV 1 OR { 306} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 308} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.100 1.200 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.24471E-02 ppm1 8.625 ppm2 2.835 CV 1 OR { 308} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 317} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD2%) 3.600 1.600 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.15063E-02 ppm1 8.463 ppm2 1.068 CV 1 OR { 317} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 317} (( segid " " and resid 34 and name HN )) ( segid " " and resid 70 and name HG2%) ASSI { 321} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.37367E-02 ppm1 8.626 ppm2 4.521 CV 1 OR { 321} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 342} (( segid " " and resid 67 and name HN )) ( segid " " and resid 64 and name HG1%) 4.300 2.300 1.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.43668E-03 ppm1 7.484 ppm2 0.972 CV 1 OR { 342} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 342} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 342} (( segid " " and resid 67 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 358} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 3.900 1.900 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.96486E-03 ppm1 8.484 ppm2 0.981 CV 1 OR { 358} (( segid " " and resid 59 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 364} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.700 1.700 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.70836E-03 ppm1 7.749 ppm2 4.474 CV 1 OR { 364} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 372} (( segid " " and resid 84 and name HN )) ( segid " " and resid 82 and name HD2%) 3.600 1.600 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.24555E-03 ppm1 7.750 ppm2 0.984 CV 1 OR { 372} (( segid " " and resid 84 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 372} (( segid " " and resid 84 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 380} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.600 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.45450E-02 ppm1 9.558 ppm2 4.367 CV 1 OR { 380} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 382} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.23010E-02 ppm1 9.557 ppm2 3.094 CV 1 OR { 382} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 384} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 4.100 2.100 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.56548E-03 ppm1 9.557 ppm2 7.728 CV 1 OR { 384} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 387} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) 5.000 3.200 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.37823E-03 ppm1 9.556 ppm2 3.003 CV 1 OR { 387} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 389} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HG2%) 5.100 3.300 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.21323E-03 ppm1 9.562 ppm2 1.072 CV 1 OR { 389} (( segid " " and resid 36 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 391} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.27071E-02 ppm1 8.999 ppm2 1.623 CV 1 OR { 391} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 418} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.57058E-03 ppm1 9.002 ppm2 4.236 CV 1 OR { 418} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 422} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD2%) 3.300 1.400 1.400 peak 422 spectrum 1 weight 0.10000E+01 volume 0.64547E-03 ppm1 8.696 ppm2 0.883 CV 1 OR { 422} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 422} (( segid " " and resid 76 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 424} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HG2%) 3.400 1.400 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.78191E-03 ppm1 8.995 ppm2 1.062 CV 1 OR { 424} (( segid " " and resid 72 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 424} (( segid " " and resid 72 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 424} (( segid " " and resid 72 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 429} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HD1%) 3.300 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.85572E-03 ppm1 8.882 ppm2 0.792 CV 1 OR { 429} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 430} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD1%) 4.200 2.200 1.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.75460E-03 ppm1 8.882 ppm2 0.971 CV 1 OR { 430} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 430} (( segid " " and resid 79 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 434} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.100 2.100 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.92795E-03 ppm1 9.000 ppm2 2.258 CV 1 OR { 434} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 436} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.300 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.15353E-02 ppm1 7.562 ppm2 4.368 CV 1 OR { 436} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 441} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.300 1.300 1.300 peak 441 spectrum 1 weight 0.10000E+01 volume 0.16333E-02 ppm1 7.564 ppm2 2.160 CV 1 OR { 441} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 445} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) 4.100 2.100 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.79585E-03 ppm1 7.561 ppm2 1.064 CV 1 OR { 445} (( segid " " and resid 37 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 446} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.300 0.600 0.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.62913E-02 ppm1 7.562 ppm2 7.723 CV 1 OR { 446} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 448} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.83199E-03 ppm1 7.563 ppm2 8.466 CV 1 OR { 448} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 450} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) 3.500 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.15774E-02 ppm1 8.402 ppm2 1.127 CV 1 OR { 450} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 451} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD2%) 3.900 1.900 1.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 8.403 ppm2 1.042 CV 1 OR { 451} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 451} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 452} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 3.600 1.600 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.14174E-02 ppm1 8.403 ppm2 0.887 CV 1 OR { 452} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 456} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) 3.000 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34866E-02 ppm1 8.401 ppm2 1.889 CV 1 OR { 456} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 460} (( segid " " and resid 48 and name HN )) ( segid " " and resid 50 and name HB% ) 4.400 2.400 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.43771E-03 ppm1 8.324 ppm2 1.645 CV 1 OR { 460} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 461} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 3.900 1.900 1.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.12567E-02 ppm1 8.323 ppm2 1.529 CV 1 OR { 461} (( segid " " and resid 48 and name HN )) ( segid " " and resid 44 and name HB% ) OR { 461} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 467} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.33312E-02 ppm1 8.402 ppm2 4.401 CV 1 OR { 467} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 474} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.200 0.600 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.64807E-02 ppm1 7.512 ppm2 8.043 CV 1 OR { 474} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 479} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22000E-02 ppm1 7.407 ppm2 4.524 CV 1 OR { 479} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 483} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.24086E-02 ppm1 7.512 ppm2 3.306 CV 1 OR { 483} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 484} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.800 2.900 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.34270E-03 ppm1 7.509 ppm2 3.027 CV 1 OR { 484} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 487} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.600 1.600 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.78288E-03 ppm1 7.406 ppm2 2.745 CV 1 OR { 487} (( segid " " and resid 64 and name HN )) (( segid " " and resid 46 and name HG2 )) ASSI { 498} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HB )) 4.700 2.800 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.57758E-03 ppm1 8.405 ppm2 2.275 CV 1 OR { 498} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 504} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 3.200 1.300 1.300 peak 504 spectrum 1 weight 0.10000E+01 volume 0.62770E-03 ppm1 8.976 ppm2 1.650 CV 1 OR { 504} (( segid " " and resid 53 and name HN )) ( segid " " and resid 81 and name HB% ) ASSI { 507} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) 4.500 2.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.79483E-03 ppm1 8.977 ppm2 1.040 CV 1 OR { 507} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 508} (( segid " " and resid 53 and name HN )) ( segid " " and resid 58 and name HG1%) 4.900 3.000 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.46971E-03 ppm1 8.976 ppm2 0.945 CV 1 OR { 508} (( segid " " and resid 53 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 509} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HD1%) 4.100 2.100 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.91728E-03 ppm1 8.977 ppm2 0.864 CV 1 OR { 509} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 510} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20648E-02 ppm1 8.977 ppm2 4.261 CV 1 OR { 510} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 511} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.37022E-02 ppm1 8.977 ppm2 4.095 CV 1 OR { 511} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 511} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 518} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.200 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.10778E-01 ppm1 8.236 ppm2 4.266 CV 1 OR { 518} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) OR { 518} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) OR { 518} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 519} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.300 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 8.234 ppm2 3.956 CV 1 OR { 519} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 520} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 3.200 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.12803E-02 ppm1 8.237 ppm2 3.901 CV 1 OR { 520} (( segid " " and resid 46 and name HN )) (( segid " " and resid 66 and name HA2 )) ASSI { 523} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.000 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.57110E-02 ppm1 8.237 ppm2 2.340 CV 1 OR { 523} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB1 )) OR { 523} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 524} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.000 2.000 2.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 8.236 ppm2 2.200 CV 1 OR { 524} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB2 )) OR { 524} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HB1 )) OR { 524} (( segid " " and resid 46 and name HN )) (( segid " " and resid 64 and name HB )) ASSI { 525} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HB% ) 2.200 0.600 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.12157E-01 ppm1 8.235 ppm2 1.647 CV 1 OR { 525} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 526} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.200 0.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.64613E-02 ppm1 8.236 ppm2 1.526 CV 1 OR { 526} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 530} (( segid " " and resid 46 and name HN )) ( segid " " and resid 43 and name HD2%) 4.500 2.600 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.42753E-03 ppm1 8.240 ppm2 1.080 CV 1 OR { 530} (( segid " " and resid 50 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 530} (( segid " " and resid 46 and name HN )) ( segid " " and resid 42 and name H31%) OR { 530} (( segid " " and resid 46 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 531} (( segid " " and resid 50 and name HN )) ( segid " " and resid 77 and name HD1%) 5.000 3.200 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.28211E-03 ppm1 8.237 ppm2 0.972 CV 1 OR { 531} (( segid " " and resid 50 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 531} (( segid " " and resid 46 and name HN )) (( segid " " and resid 74 and name HG )) OR { 531} (( segid " " and resid 50 and name HN )) (( segid " " and resid 74 and name HG )) OR { 531} (( segid " " and resid 46 and name HN )) ( segid " " and resid 64 and name HG1%) OR { 531} (( segid " " and resid 50 and name HN )) ( segid " " and resid 64 and name HG1%) OR { 531} (( segid " " and resid 50 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 531} (( segid " " and resid 46 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 533} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.80105E-03 ppm1 8.977 ppm2 8.131 CV 1 OR { 533} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HN )) OR { 533} (( segid " " and resid 53 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 538} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.100 2.100 1.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 8.839 ppm2 1.398 CV 1 OR { 538} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 539} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) 4.000 2.000 2.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 8.841 ppm2 1.140 CV 1 OR { 539} (( segid " " and resid 11 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 540} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.600 2.600 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.54333E-03 ppm1 8.840 ppm2 1.048 CV 1 OR { 540} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 540} (( segid " " and resid 11 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 546} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 8.115 ppm2 2.031 CV 1 OR { 546} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HG )) ASSI { 549} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.40432E-02 ppm1 8.114 ppm2 4.246 CV 1 OR { 549} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 550} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.600 1.600 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.74705E-03 ppm1 8.120 ppm2 3.958 CV 1 OR { 550} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 553} (( segid " " and resid 15 and name HN )) ( segid " " and resid 26 and name HD2%) 3.300 1.400 1.400 peak 553 spectrum 1 weight 0.10000E+01 volume 0.50078E-03 ppm1 8.457 ppm2 0.790 CV 1 OR { 553} (( segid " " and resid 15 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 559} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HZ )) 3.300 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.15880E-02 ppm1 8.842 ppm2 7.338 CV 1 OR { 559} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE )) ASSI { 562} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 562 spectrum 1 weight 0.10000E+01 volume 0.11260E-02 ppm1 8.455 ppm2 4.403 CV 1 OR { 562} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 564} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) 4.100 2.100 1.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.13679E-02 ppm1 7.711 ppm2 1.051 CV 1 OR { 564} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 564} (( segid " " and resid 13 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 564} (( segid " " and resid 13 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 566} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) 2.700 0.900 0.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.40244E-02 ppm1 7.709 ppm2 2.030 CV 1 OR { 566} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 566} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB1 )) OR { 566} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 575} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG2%) 3.800 1.800 1.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.18770E-02 ppm1 8.220 ppm2 1.124 CV 1 OR { 575} (( segid " " and resid 16 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 577} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) 3.300 1.400 1.400 peak 577 spectrum 1 weight 0.10000E+01 volume 0.28484E-02 ppm1 8.279 ppm2 0.980 CV 1 OR { 577} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 577} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 577} (( segid " " and resid 82 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 578} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 3.500 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 8.277 ppm2 0.873 CV 1 OR { 578} (( segid " " and resid 82 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 578} (( segid " " and resid 78 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 582} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.300 0.700 0.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.82673E-02 ppm1 8.277 ppm2 1.934 CV 1 OR { 582} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 585} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.39513E-02 ppm1 8.279 ppm2 1.628 CV 1 OR { 585} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 586} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.600 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.24464E-02 ppm1 8.279 ppm2 1.554 CV 1 OR { 586} (( segid " " and resid 82 and name HN )) ( segid " " and resid 85 and name HB% ) ASSI { 588} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.600 0.900 0.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.76027E-02 ppm1 8.220 ppm2 2.270 CV 1 OR { 588} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 592} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.400 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 8.250 ppm2 1.397 CV 1 OR { 592} (( segid " " and resid 8 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 595} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.000 1.200 1.200 peak 595 spectrum 1 weight 0.10000E+01 volume 0.18254E-02 ppm1 8.220 ppm2 4.402 CV 1 OR { 595} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 597} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.900 1.900 1.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.73337E-03 ppm1 8.220 ppm2 4.037 CV 1 OR { 597} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 600} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 8.278 ppm2 4.910 CV 1 OR { 600} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HA )) ASSI { 602} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 602 spectrum 1 weight 0.10000E+01 volume 0.21672E-02 ppm1 8.275 ppm2 4.294 CV 1 OR { 602} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HA )) OR { 602} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 605} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.29781E-02 ppm1 8.220 ppm2 7.824 CV 1 OR { 605} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 608} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.500 0.800 0.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 8.219 ppm2 8.449 CV 1 OR { 608} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) ASSI { 616} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.61770E-03 ppm1 7.889 ppm2 8.843 CV 1 OR { 616} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 619} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 4.000 2.000 2.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.30571E-03 ppm1 8.839 ppm2 2.716 CV 1 OR { 619} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 619} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 620} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.21368E-02 ppm1 8.460 ppm2 8.223 CV 1 OR { 620} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) OR { 620} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 626} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB1 )) 4.700 2.700 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.60744E-03 ppm1 7.891 ppm2 1.585 CV 1 OR { 626} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB2 )) OR { 626} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 627} (( segid " " and resid 9 and name HN )) ( segid " " and resid 6 and name HG2%) 3.900 1.900 1.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.54522E-03 ppm1 7.891 ppm2 1.408 CV 1 OR { 627} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 627} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 638} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.100 2.100 1.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.82219E-03 ppm1 8.514 ppm2 1.531 CV 1 OR { 638} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HB% ) OR { 638} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 643} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.600 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.52903E-02 ppm1 8.415 ppm2 2.213 CV 1 OR { 643} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 644} (( segid " " and resid 52 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.500 3.500 2.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.55747E-03 ppm1 8.416 ppm2 2.119 CV 1 OR { 644} (( segid " " and resid 52 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 645} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 2.300 0.700 0.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.55149E-02 ppm1 8.415 ppm2 2.041 CV 1 OR { 645} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 648} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.400 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.58202E-02 ppm1 8.516 ppm2 2.348 CV 1 OR { 648} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 651} (( segid " " and resid 47 and name HN )) ( segid " " and resid 43 and name HD2%) 4.400 2.500 1.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.24267E-03 ppm1 8.515 ppm2 1.055 CV 1 OR { 651} (( segid " " and resid 47 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 651} (( segid " " and resid 47 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 651} (( segid " " and resid 47 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 651} (( segid " " and resid 47 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 652} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.36302E-02 ppm1 8.516 ppm2 4.243 CV 1 OR { 652} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 654} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 654 spectrum 1 weight 0.10000E+01 volume 0.13974E-02 ppm1 8.415 ppm2 3.954 CV 1 OR { 654} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 658} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.39818E-02 ppm1 8.511 ppm2 8.235 CV 1 OR { 658} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 663} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.49726E-02 ppm1 7.713 ppm2 2.428 CV 1 OR { 663} (( segid " " and resid 74 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 664} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13130E-02 ppm1 7.714 ppm2 2.272 CV 1 OR { 664} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 666} (( segid " " and resid 74 and name HN )) ( segid " " and resid 68 and name HG1%) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16324E-02 ppm1 7.714 ppm2 1.139 CV 1 OR { 666} (( segid " " and resid 74 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 667} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 4.100 2.100 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.11393E-02 ppm1 7.714 ppm2 0.975 CV 1 OR { 667} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 670} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 670 spectrum 1 weight 0.10000E+01 volume 0.54445E-02 ppm1 8.082 ppm2 4.105 CV 1 OR { 670} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 670} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 670} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 673} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.500 2.600 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.73342E-03 ppm1 8.084 ppm2 0.999 CV 1 OR { 673} (( segid " " and resid 55 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 675} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HB2 )) 4.800 2.800 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.45780E-03 ppm1 8.080 ppm2 2.787 CV 1 OR { 675} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 677} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 31 and name HB1 )) 3.900 1.900 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.70295E-03 ppm1 6.893 ppm2 1.644 CV 1 OR { 677} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG1 )) OR { 677} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 31 and name HB1 )) OR { 677} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 31 and name HB1 )) ASSI { 683} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD2%) 3.400 1.400 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.16078E-02 ppm1 8.734 ppm2 1.134 CV 1 OR { 683} (( segid " " and resid 75 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 684} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD1%) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.81877E-03 ppm1 8.734 ppm2 1.058 CV 1 OR { 684} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 684} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 685} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 4.500 2.600 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.61811E-03 ppm1 8.732 ppm2 0.973 CV 1 OR { 685} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 685} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 688} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.400 1.400 1.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.27609E-02 ppm1 8.734 ppm2 1.702 CV 1 OR { 688} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 694} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.100 0.600 0.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.88717E-02 ppm1 8.467 ppm2 1.520 CV 1 OR { 694} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 700} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD1%) 4.000 2.000 2.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12693E-02 ppm1 8.070 ppm2 1.049 CV 1 OR { 700} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 700} (( segid " " and resid 10 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 702} (( segid " " and resid 40 and name HN )) ( segid " " and resid 38 and name HD1%) 4.400 2.400 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.75052E-03 ppm1 8.070 ppm2 0.882 CV 1 OR { 702} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD2%) OR { 702} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 703} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD1%) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.96950E-03 ppm1 7.963 ppm2 0.885 CV 1 OR { 703} (( segid " " and resid 83 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 704} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.79467E-03 ppm1 8.072 ppm2 0.791 CV 1 OR { 704} (( segid " " and resid 10 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 712} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA2 )) 2.900 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.21567E-02 ppm1 8.069 ppm2 3.874 CV 1 OR { 712} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 713} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.900 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.45099E-02 ppm1 8.069 ppm2 3.035 CV 1 OR { 713} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 715} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.100 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.17252E-02 ppm1 8.070 ppm2 4.565 CV 1 OR { 715} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 726} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.64634E-03 ppm1 8.736 ppm2 4.229 CV 1 OR { 726} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 730} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 2.900 1.100 1.100 peak 730 spectrum 1 weight 0.10000E+01 volume 0.24994E-02 ppm1 8.468 ppm2 4.287 CV 1 OR { 730} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) OR { 730} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 738} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 738 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 8.067 ppm2 4.369 CV 1 OR { 738} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 741} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 2.600 0.800 0.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.46482E-02 ppm1 8.067 ppm2 7.720 CV 1 OR { 741} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 755} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.300 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.13304E-02 ppm1 8.041 ppm2 3.294 CV 1 OR { 755} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 767} (( segid " " and resid 30 and name HN )) ( segid " " and resid 33 and name HD2%) 4.800 2.900 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.45740E-03 ppm1 8.038 ppm2 1.061 CV 1 OR { 767} (( segid " " and resid 30 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 767} (( segid " " and resid 30 and name HN )) ( segid " " and resid 70 and name HG2%) ASSI { 773} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 3.600 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24843E-02 ppm1 7.213 ppm2 1.064 CV 1 OR { 773} (( segid " " and resid 33 and name HN )) ( segid " " and resid 70 and name HG2%) ASSI { 778} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 3.800 1.800 1.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.65083E-03 ppm1 7.213 ppm2 3.304 CV 1 OR { 778} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 779} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.200 2.200 1.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.62143E-03 ppm1 7.213 ppm2 3.033 CV 1 OR { 779} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 786} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG1 )) 4.700 2.800 1.300 peak 786 spectrum 1 weight 0.10000E+01 volume 0.48335E-03 ppm1 7.212 ppm2 2.176 CV 1 OR { 786} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 788} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) 3.900 1.900 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.19150E-02 ppm1 8.014 ppm2 0.966 CV 1 OR { 788} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 788} (( segid " " and resid 77 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 798} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.000 1.100 1.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.28597E-02 ppm1 8.822 ppm2 2.837 CV 1 OR { 798} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 799} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.800 1.000 1.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.41408E-02 ppm1 8.823 ppm2 2.747 CV 1 OR { 799} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 802} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HB1 )) 4.200 2.200 1.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.66844E-03 ppm1 8.764 ppm2 1.636 CV 1 OR { 802} (( segid " " and resid 49 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 815} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.300 1.300 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.17690E-02 ppm1 8.765 ppm2 4.264 CV 1 OR { 815} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 816} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.600 0.900 0.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.40001E-02 ppm1 8.765 ppm2 3.955 CV 1 OR { 816} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 829} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) 3.800 1.800 1.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.14003E-02 ppm1 8.473 ppm2 1.082 CV 1 OR { 829} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 829} (( segid " " and resid 35 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 847} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.13171E-02 ppm1 7.840 ppm2 4.055 CV 1 OR { 847} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA2 )) OR { 847} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 865} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) 5.300 3.500 0.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.23889E-03 ppm1 8.822 ppm2 1.036 CV 1 OR { 865} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 866} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB1 )) 4.400 2.400 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.25525E-03 ppm1 8.764 ppm2 2.349 CV 1 OR { 866} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 866} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 867} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.700 2.700 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.33690E-03 ppm1 8.767 ppm2 2.206 CV 1 OR { 867} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) OR { 867} (( segid " " and resid 49 and name HN )) (( segid " " and resid 64 and name HB )) ASSI { 882} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HB% ) 4.100 2.100 1.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.90728E-03 ppm1 7.779 ppm2 1.522 CV 1 OR { 882} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 885} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD2%) 4.100 2.100 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.91152E-03 ppm1 7.590 ppm2 0.978 CV 1 OR { 885} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 885} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 885} (( segid " " and resid 81 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 892} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HA )) 3.700 1.700 1.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.57768E-03 ppm1 7.837 ppm2 4.229 CV 1 OR { 892} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HA )) ASSI { 895} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.51061E-02 ppm1 7.780 ppm2 4.275 CV 1 OR { 895} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 898} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28B)) 4.300 2.300 1.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.29322E-03 ppm1 7.780 ppm2 3.911 CV 1 OR { 898} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 901} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HA )) 3.800 1.800 1.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.58360E-03 ppm1 7.589 ppm2 4.285 CV 1 OR { 901} (( segid " " and resid 81 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 914} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 3.800 1.800 1.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 8.148 ppm2 0.968 CV 1 OR { 914} (( segid " " and resid 4 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 919} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 3.300 3.300 2.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.88314E-03 ppm1 9.431 ppm2 1.707 CV 1 OR { 919} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 920} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG )) 2.300 0.700 0.700 peak 920 spectrum 1 weight 0.10000E+01 volume 0.45835E-02 ppm1 9.432 ppm2 1.585 CV 1 OR { 920} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) OR { 920} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 923} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD1%) 3.300 1.300 1.300 peak 923 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 9.433 ppm2 0.980 CV 1 OR { 923} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 924} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) 3.900 1.900 1.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.15885E-02 ppm1 9.433 ppm2 0.884 CV 1 OR { 924} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 925} (( segid " " and resid 5 and name HN )) ( segid " " and resid 75 and name HD1%) 4.200 2.200 1.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.62852E-03 ppm1 9.432 ppm2 0.792 CV 1 OR { 925} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 934} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 4.100 2.100 1.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 8.144 ppm2 1.024 CV 1 OR { 934} (( segid " " and resid 60 and name HN )) ( segid " " and resid 64 and name HG2%) ASSI { 952} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.69008E-03 ppm1 8.480 ppm2 8.257 CV 1 OR { 952} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 5} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 4.300 2.300 1.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.99513E-03 ppm1 2.833 ppm2 1.076 CV 1 OR { 5} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) OR { 5} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) OR { 5} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 42 and name H31%) OR { 5} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 42 and name H31%) OR { 5} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 42 and name H31%) OR { 5} (( segid " " and resid 63 and name HB1 )) ( segid " " and resid 42 and name H31%) OR { 5} (( segid " " and resid 63 and name HB1 )) ( segid " " and resid 42 and name H31%) ASSI { 6} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 42 and name H31%) 4.000 2.000 2.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11748E-02 ppm1 2.759 ppm2 1.075 CV 1 OR { 6} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 42 and name H31%) OR { 6} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 42 and name H31%) OR { 6} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) OR { 6} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) OR { 6} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) OR { 6} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 42 and name H31%) OR { 6} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 42 and name H31%) ASSI { 13} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H30%) 3.900 1.900 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 4.269 ppm2 0.938 CV 1 OR { 13} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H30%) OR { 13} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H30%) OR { 13} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H30%) OR { 13} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H30%) OR { 13} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H30%) OR { 13} (( segid " " and resid 46 and name HA )) ( segid " " and resid 42 and name H30%) ASSI { 14} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H31%) 4.400 2.400 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.16901E-02 ppm1 4.266 ppm2 1.076 CV 1 OR { 14} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H31%) OR { 14} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H31%) OR { 14} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H31%) OR { 14} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H31%) OR { 14} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H31%) OR { 14} (( segid " " and resid 46 and name HA )) ( segid " " and resid 42 and name H31%) OR { 14} (( segid " " and resid 46 and name HA )) ( segid " " and resid 42 and name H31%)
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