NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
612048 | 2n8l | 25854 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 75 and name HN )) 3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.16269E-02 ppm1 7.909 ppm2 8.984 CV 1 ASSI { 3} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 74 and name HA )) 3.700 1.700 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.68428E-03 ppm1 7.896 ppm2 5.630 CV 1 ASSI { 4} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 76 and name HA )) 3.300 1.400 1.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.95880E-03 ppm1 7.912 ppm2 5.152 CV 1 ASSI { 5} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 23 and name HA )) 2.500 0.800 0.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.44879E-02 ppm1 7.909 ppm2 4.578 CV 1 ASSI { 6} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 22 and name HA )) 2.300 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.72995E-02 ppm1 7.908 ppm2 3.908 CV 1 ASSI { 7} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 23 and name HG2 )) 2.900 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.37150E-02 ppm1 7.909 ppm2 2.208 CV 1 OR { 7} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 23 and name HG3 )) ASSI { 8} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 23 and name HB3 )) 2.600 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.38161E-02 ppm1 7.905 ppm2 1.965 CV 1 OR { 8} (( segid "KH " and resid 23 and name HN )) (( segid "KH " and resid 23 and name HB2 )) ASSI { 9} (( segid "KH " and resid 173 and name HN )) (( segid "KH " and resid 173 and name HG12)) 2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.35828E-02 ppm1 7.904 ppm2 1.836 CV 1 ASSI { 10} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 24 and name HA )) 3.000 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 8.556 ppm2 5.282 CV 1 ASSI { 11} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 23 and name HA )) 2.300 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.69823E-02 ppm1 8.556 ppm2 4.588 CV 1 ASSI { 12} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 24 and name HB )) 2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.45735E-02 ppm1 8.554 ppm2 3.749 CV 1 ASSI { 14} (( segid "KH " and resid 24 and name HN )) ( segid "KH " and resid 24 and name HG2%) 3.300 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.22439E-02 ppm1 8.554 ppm2 1.018 CV 1 ASSI { 15} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 23 and name HB2 )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.26019E-02 ppm1 8.557 ppm2 1.984 CV 1 OR { 15} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 23 and name HB3 )) ASSI { 16} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 23 and name HG3 )) 3.200 1.300 1.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.22366E-02 ppm1 8.554 ppm2 2.210 CV 1 OR { 16} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 23 and name HG2 )) ASSI { 17} (( segid "KH " and resid 24 and name HN )) (( segid "KH " and resid 25 and name HN )) 3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 8.560 ppm2 8.991 CV 1 ASSI { 18} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 80 and name HE21)) 3.600 1.600 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.74888E-03 ppm1 8.963 ppm2 6.256 CV 1 ASSI { 19} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 80 and name HE22)) 3.500 1.500 1.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.73107E-03 ppm1 8.970 ppm2 6.066 CV 1 ASSI { 20} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 74 and name HA )) 3.700 1.700 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 8.974 ppm2 5.634 CV 1 ASSI { 21} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 24 and name HA )) 2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.36691E-02 ppm1 8.971 ppm2 5.280 CV 1 ASSI { 22} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 25 and name HA )) 3.200 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 8.972 ppm2 4.429 CV 1 ASSI { 23} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 24 and name HB )) 3.800 1.800 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10590E-02 ppm1 8.976 ppm2 3.754 CV 1 ASSI { 24} (( segid "KH " and resid 25 and name HN )) (( segid "KH " and resid 25 and name HB )) 3.100 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.17739E-02 ppm1 8.971 ppm2 1.984 CV 1 ASSI { 25} (( segid "KH " and resid 25 and name HN )) ( segid "KH " and resid 24 and name HG2%) 3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.28380E-02 ppm1 8.972 ppm2 1.024 CV 1 ASSI { 27} (( segid "KH " and resid 25 and name HN )) ( segid "KH " and resid 25 and name HG2%) 2.600 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.39119E-02 ppm1 8.976 ppm2 0.765 CV 1 ASSI { 29} (( segid "KH " and resid 26 and name HN )) (( segid "KH " and resid 26 and name HA )) 3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.77393E-03 ppm1 8.169 ppm2 5.626 CV 1 ASSI { 30} (( segid "KH " and resid 26 and name HN )) (( segid "KH " and resid 25 and name HA )) 2.600 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.31531E-02 ppm1 8.166 ppm2 4.428 CV 1 ASSI { 31} (( segid "KH " and resid 26 and name HN )) (( segid "KH " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10668E-02 ppm1 8.157 ppm2 3.134 CV 1 ASSI { 32} (( segid "KH " and resid 26 and name HN )) (( segid "KH " and resid 26 and name HB3 )) 4.000 2.000 2.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.92484E-03 ppm1 8.166 ppm2 2.425 CV 1 ASSI { 33} (( segid "KH " and resid 26 and name HN )) ( segid "KH " and resid 25 and name HG2%) 3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.24872E-02 ppm1 8.159 ppm2 0.768 CV 1 ASSI { 34} (( segid "KH " and resid 26 and name HN )) (( segid "KH " and resid 25 and name HB )) 3.300 1.400 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.86635E-03 ppm1 8.169 ppm2 1.970 CV 1 ASSI { 35} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 26 and name HD2 )) 4.100 2.100 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 9.335 ppm2 6.713 CV 1 ASSI { 36} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 27 and name HB )) 2.600 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.27912E-02 ppm1 9.333 ppm2 1.660 CV 1 ASSI { 37} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 26 and name HB3 )) 3.200 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.13619E-02 ppm1 9.331 ppm2 2.424 CV 1 ASSI { 38} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 72 and name HA )) 3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.76504E-03 ppm1 9.331 ppm2 4.530 CV 1 ASSI { 39} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 26 and name HA )) 2.400 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 9.329 ppm2 5.631 CV 1 ASSI { 40} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 71 and name HN )) 3.000 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 9.336 ppm2 9.200 CV 1 ASSI { 41} (( segid "KH " and resid 27 and name HN )) (( segid "KH " and resid 27 and name HA )) 3.100 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10501E-02 ppm1 9.336 ppm2 4.694 CV 1 ASSI { 42} (( segid "KH " and resid 27 and name HN )) ( segid "KH " and resid 27 and name HG1%) 3.400 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.24192E-02 ppm1 9.336 ppm2 0.858 CV 1 ASSI { 43} (( segid "KH " and resid 27 and name HN )) ( segid "KH " and resid 27 and name HG2%) 2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.33350E-02 ppm1 9.336 ppm2 0.715 CV 1 ASSI { 44} (( segid "KH " and resid 28 and name HN )) (( segid "KH " and resid 27 and name HN )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.95157E-03 ppm1 8.638 ppm2 9.346 CV 1 ASSI { 45} (( segid "KH " and resid 28 and name HN )) ( segid "KH " and resid 28 and name HD% ) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.26336E-02 ppm1 8.652 ppm2 6.759 CV 1 ASSI { 46} (( segid "KH " and resid 28 and name HN )) ( segid "KH " and resid 28 and name HE% ) 4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.74776E-03 ppm1 8.650 ppm2 6.311 CV 1 ASSI { 47} (( segid "KH " and resid 28 and name HN )) (( segid "KH " and resid 28 and name HA )) 2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 8.650 ppm2 4.903 CV 1 ASSI { 48} (( segid "KH " and resid 28 and name HN )) (( segid "KH " and resid 27 and name HA )) 2.400 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.39119E-02 ppm1 8.654 ppm2 4.704 CV 1 ASSI { 49} (( segid "KH " and resid 28 and name HN )) (( segid "KH " and resid 28 and name HB2 )) 2.700 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.18018E-02 ppm1 8.653 ppm2 2.961 CV 1 ASSI { 50} (( segid "KH " and resid 28 and name HN )) (( segid "KH " and resid 28 and name HB3 )) 3.500 1.500 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.17511E-02 ppm1 8.646 ppm2 2.469 CV 1 ASSI { 51} (( segid "KH " and resid 28 and name HN )) ( segid "KH " and resid 27 and name HG1%) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14298E-02 ppm1 8.646 ppm2 0.853 CV 1 ASSI { 52} (( segid "KH " and resid 28 and name HN )) ( segid "KH " and resid 27 and name HG2%) 3.600 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.28341E-02 ppm1 8.653 ppm2 0.710 CV 1 ASSI { 53} (( segid "KH " and resid 29 and name HN )) ( segid "KH " and resid 29 and name HD1%) 4.200 2.200 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.90980E-03 ppm1 8.757 ppm2 0.312 CV 1 ASSI { 55} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 28 and name HN )) 3.800 1.800 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 8.768 ppm2 8.653 CV 1 ASSI { 56} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 29 and name HA )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.36086E-02 ppm1 8.761 ppm2 4.898 CV 1 ASSI { 57} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 29 and name HB )) 3.500 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.11203E-02 ppm1 8.766 ppm2 1.503 CV 1 ASSI { 58} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 29 and name HG12)) 2.900 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.10590E-02 ppm1 8.760 ppm2 1.198 CV 1 ASSI { 59} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 29 and name HG13)) 2.900 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.23513E-02 ppm1 8.765 ppm2 0.785 CV 1 ASSI { 60} (( segid "KH " and resid 29 and name HN )) ( segid "KH " and resid 29 and name HG2%) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17511E-02 ppm1 8.762 ppm2 0.597 CV 1 ASSI { 61} (( segid "KH " and resid 31 and name HN )) ( segid "KH " and resid 31 and name HB% ) 2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.43930E-02 ppm1 8.351 ppm2 1.211 CV 1 ASSI { 62} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 32 and name HN )) 3.000 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.90313E-03 ppm1 8.344 ppm2 9.064 CV 1 ASSI { 63} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 68 and name HA )) 2.400 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.27483E-02 ppm1 8.353 ppm2 5.164 CV 1 ASSI { 64} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 31 and name HA )) 2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.17661E-02 ppm1 8.348 ppm2 3.576 CV 1 ASSI { 65} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 30 and name HB2 )) 3.500 1.600 1.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 8.350 ppm2 2.460 CV 1 ASSI { 66} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 68 and name HB )) 3.700 1.700 1.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 8.354 ppm2 2.042 CV 1 ASSI { 67} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 30 and name HB3 )) 3.300 1.400 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 8.354 ppm2 1.479 CV 1 ASSI { 68} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 29 and name HG13)) 3.200 3.200 2.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.19760E-02 ppm1 8.350 ppm2 0.807 CV 1 ASSI { 69} (( segid "KH " and resid 31 and name HN )) (( segid "KH " and resid 30 and name HA )) 2.300 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.45880E-02 ppm1 8.352 ppm2 4.506 CV 1 ASSI { 72} (( segid "KH " and resid 32 and name HN )) (( segid "KH " and resid 32 and name HB3 )) 3.800 1.800 1.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13886E-02 ppm1 9.066 ppm2 2.114 CV 1 ASSI { 73} (( segid "KH " and resid 32 and name HN )) ( segid "KH " and resid 31 and name HB% ) 3.300 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11665E-02 ppm1 9.068 ppm2 1.211 CV 1 ASSI { 75} (( segid "KH " and resid 32 and name HN )) (( segid "KH " and resid 32 and name HB2 )) 2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 9.071 ppm2 2.196 CV 1 ASSI { 76} (( segid "KH " and resid 33 and name HN )) ( segid "KH " and resid 33 and name HB% ) 2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.43217E-02 ppm1 7.568 ppm2 0.417 CV 1 ASSI { 77} (( segid "KH " and resid 33 and name HN )) (( segid "KH " and resid 34 and name HN )) 2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.24014E-02 ppm1 7.567 ppm2 6.935 CV 1 ASSI { 79} (( segid "KH " and resid 33 and name HN )) (( segid "KH " and resid 33 and name HA )) 2.900 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 7.567 ppm2 3.949 CV 1 ASSI { 80} (( segid "KH " and resid 101 and name HN )) (( segid "KH " and resid 101 and name HG2 )) 3.300 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.38211E-02 ppm1 7.557 ppm2 2.270 CV 1 OR { 80} (( segid "KH " and resid 101 and name HN )) (( segid "KH " and resid 101 and name HG3 )) ASSI { 81} (( segid "KH " and resid 101 and name HN )) (( segid "KH " and resid 101 and name HB3 )) 2.300 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.64698E-02 ppm1 7.556 ppm2 1.990 CV 1 ASSI { 82} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HB2 )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.42262E-02 ppm1 7.538 ppm2 2.159 CV 1 ASSI { 84} (( segid "KH " and resid 34 and name HN )) ( segid "KH " and resid 34 and name HG1%) 2.500 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.36284E-02 ppm1 6.926 ppm2 0.791 CV 1 ASSI { 86} (( segid "KH " and resid 34 and name HN )) (( segid "KH " and resid 34 and name HB )) 2.500 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.30958E-02 ppm1 6.930 ppm2 1.782 CV 1 ASSI { 87} (( segid "KH " and resid 34 and name HN )) (( segid "KH " and resid 34 and name HA )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16927E-02 ppm1 6.923 ppm2 2.864 CV 1 ASSI { 91} (( segid "KH " and resid 34 and name HN )) (( segid "KH " and resid 35 and name HN )) 3.100 1.200 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 6.932 ppm2 8.250 CV 1 ASSI { 92} (( segid "KH " and resid 34 and name HN )) ( segid "KH " and resid 29 and name HD1%) 3.900 1.900 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.90088E-03 ppm1 6.926 ppm2 0.325 CV 1 ASSI { 93} (( segid "KH " and resid 34 and name HN )) ( segid "KH " and resid 33 and name HB% ) 3.100 1.200 1.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 6.926 ppm2 0.414 CV 1 ASSI { 94} (( segid "KH " and resid 36 and name HN )) ( segid "KH " and resid 36 and name HB% ) 2.400 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.65478E-02 ppm1 7.585 ppm2 1.264 CV 1 ASSI { 96} (( segid "KH " and resid 36 and name HN )) (( segid "KH " and resid 37 and name HN )) 2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.23369E-02 ppm1 7.587 ppm2 7.130 CV 1 ASSI { 97} (( segid "KH " and resid 36 and name HN )) (( segid "KH " and resid 35 and name HA2 )) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 7.584 ppm2 3.512 CV 1 ASSI { 98} (( segid "KH " and resid 36 and name HN )) (( segid "KH " and resid 35 and name HA3 )) 3.300 1.300 1.300 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17411E-02 ppm1 7.583 ppm2 3.136 CV 1 ASSI { 99} (( segid "KH " and resid 36 and name HN )) (( segid "KH " and resid 34 and name HA )) 3.700 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.73163E-03 ppm1 7.584 ppm2 2.878 CV 1 ASSI { 100} (( segid "KH " and resid 36 and name HN )) ( segid "KH " and resid 33 and name HB% ) 3.500 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.15011E-02 ppm1 7.591 ppm2 0.452 CV 1 ASSI { 101} (( segid "KH " and resid 35 and name HN )) (( segid "KH " and resid 35 and name HA2 )) 2.600 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.20902E-02 ppm1 8.259 ppm2 3.524 CV 1 ASSI { 102} (( segid "KH " and resid 35 and name HN )) (( segid "KH " and resid 35 and name HA3 )) 3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 8.254 ppm2 3.141 CV 1 ASSI { 103} (( segid "KH " and resid 35 and name HN )) (( segid "KH " and resid 36 and name HN )) 3.000 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.15791E-02 ppm1 8.251 ppm2 7.579 CV 1 ASSI { 104} (( segid "KH " and resid 35 and name HN )) (( segid "KH " and resid 34 and name HA )) 3.400 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.66816E-03 ppm1 8.258 ppm2 2.886 CV 1 ASSI { 105} (( segid "KH " and resid 35 and name HN )) (( segid "KH " and resid 34 and name HB )) 3.400 1.400 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 8.265 ppm2 1.787 CV 1 ASSI { 106} (( segid "KH " and resid 35 and name HN )) ( segid "KH " and resid 34 and name HG2%) 3.700 1.700 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.98550E-03 ppm1 8.258 ppm2 0.496 CV 1 ASSI { 107} (( segid "KH " and resid 37 and name HN )) (( segid "KH " and resid 37 and name HA )) 3.200 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 7.134 ppm2 3.434 CV 1 ASSI { 108} (( segid "KH " and resid 37 and name HN )) (( segid "KH " and resid 34 and name HA )) 3.400 1.400 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 7.124 ppm2 2.890 CV 1 ASSI { 110} (( segid "KH " and resid 37 and name HN )) (( segid "KH " and resid 37 and name HB )) 3.000 1.100 1.100 peak 110 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 7.134 ppm2 1.686 CV 1 ASSI { 111} (( segid "KH " and resid 37 and name HN )) (( segid "KH " and resid 37 and name HG12)) 3.100 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 7.134 ppm2 1.364 CV 1 ASSI { 112} (( segid "KH " and resid 37 and name HN )) (( segid "KH " and resid 37 and name HG13)) 4.100 2.100 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 7.123 ppm2 0.936 CV 1 ASSI { 113} (( segid "KH " and resid 37 and name HN )) ( segid "KH " and resid 37 and name HD1%) 2.900 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.16498E-02 ppm1 7.121 ppm2 0.496 CV 1 ASSI { 114} (( segid "KH " and resid 38 and name HN )) ( segid "KH " and resid 37 and name HD1%) 2.600 2.600 3.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.97771E-03 ppm1 7.913 ppm2 0.541 CV 1 ASSI { 115} (( segid "KH " and resid 38 and name HN )) (( segid "KH " and resid 38 and name HA )) 3.200 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.99221E-03 ppm1 7.909 ppm2 3.874 CV 1 ASSI { 116} (( segid "KH " and resid 38 and name HN )) (( segid "KH " and resid 37 and name HN )) 3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.89698E-03 ppm1 7.909 ppm2 7.121 CV 1 ASSI { 117} (( segid "KH " and resid 38 and name HN )) ( segid "KH " and resid 38 and name HD1%) 4.400 2.400 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.87696E-03 ppm1 7.909 ppm2 -0.304 CV 1 ASSI { 121} (( segid "KH " and resid 39 and name HN )) (( segid "KH " and resid 39 and name HA2 )) 3.300 1.300 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 7.663 ppm2 3.929 CV 1 ASSI { 122} (( segid "KH " and resid 39 and name HN )) (( segid "KH " and resid 39 and name HA3 )) 3.100 1.200 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 7.666 ppm2 3.688 CV 1 ASSI { 123} (( segid "KH " and resid 39 and name HN )) ( segid "KH " and resid 38 and name HG2%) 3.500 1.500 1.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.11164E-02 ppm1 7.673 ppm2 0.834 CV 1 ASSI { 124} (( segid "KH " and resid 39 and name HN )) ( segid "KH " and resid 45 and name HG2%) 3.300 3.300 2.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.15156E-02 ppm1 7.667 ppm2 1.190 CV 1 ASSI { 133} (( segid "KH " and resid 52 and name HN )) ( segid "KH " and resid 52 and name HB% ) 2.500 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.43930E-02 ppm1 8.457 ppm2 1.370 CV 1 ASSI { 134} (( segid "KH " and resid 52 and name HN )) (( segid "KH " and resid 51 and name HB3 )) 3.200 1.300 1.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 8.456 ppm2 3.048 CV 1 ASSI { 135} (( segid "KH " and resid 52 and name HN )) (( segid "KH " and resid 51 and name HB2 )) 3.500 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 8.460 ppm2 3.368 CV 1 ASSI { 138} (( segid "KH " and resid 52 and name HN )) (( segid "KH " and resid 51 and name HA )) 3.000 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 8.457 ppm2 4.312 CV 1 ASSI { 139} (( segid "KH " and resid 52 and name HN )) (( segid "KH " and resid 52 and name HA )) 2.900 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.22188E-02 ppm1 8.456 ppm2 3.764 CV 1 ASSI { 140} (( segid "KH " and resid 52 and name HN )) ( segid "KH " and resid 51 and name HD% ) 3.000 1.100 1.100 peak 140 spectrum 1 weight 0.10000E+01 volume 0.16297E-02 ppm1 8.455 ppm2 7.126 CV 1 ASSI { 143} (( segid "KH " and resid 53 and name HN )) (( segid "KH " and resid 53 and name HB2 )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.43167E-02 ppm1 7.803 ppm2 4.142 CV 1 ASSI { 144} (( segid "KH " and resid 53 and name HN )) (( segid "KH " and resid 53 and name HA )) 2.100 0.600 0.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10852E-01 ppm1 7.803 ppm2 3.965 CV 1 ASSI { 145} (( segid "KH " and resid 53 and name HN )) (( segid "KH " and resid 54 and name HN )) 2.600 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.43375E-02 ppm1 7.803 ppm2 7.601 CV 1 ASSI { 146} (( segid "KH " and resid 53 and name HN )) (( segid "KH " and resid 52 and name HN )) 2.500 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.36284E-02 ppm1 7.802 ppm2 8.451 CV 1 ASSI { 147} (( segid "KH " and resid 53 and name HN )) ( segid "KH " and resid 52 and name HB% ) 2.900 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.29343E-02 ppm1 7.805 ppm2 1.371 CV 1 ASSI { 150} (( segid "KH " and resid 54 and name HN )) (( segid "KH " and resid 54 and name HA )) 2.800 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.25768E-02 ppm1 7.598 ppm2 4.915 CV 1 ASSI { 151} (( segid "KH " and resid 54 and name HN )) (( segid "KH " and resid 53 and name HB2 )) 2.900 2.900 3.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.40990E-02 ppm1 7.596 ppm2 4.139 CV 1 ASSI { 152} (( segid "KH " and resid 54 and name HN )) (( segid "KH " and resid 53 and name HA )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.60634E-02 ppm1 7.598 ppm2 3.966 CV 1 ASSI { 153} (( segid "KH " and resid 54 and name HN )) ( segid "KH " and resid 52 and name HB% ) 2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.29276E-02 ppm1 7.598 ppm2 1.386 CV 1 ASSI { 154} (( segid "KH " and resid 54 and name HN )) ( segid "KH " and resid 54 and name HB% ) 2.600 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.44030E-02 ppm1 7.597 ppm2 0.980 CV 1 ASSI { 155} (( segid "KH " and resid 55 and name HN )) (( segid "KH " and resid 74 and name HN )) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 8.418 ppm2 9.219 CV 1 ASSI { 157} (( segid "KH " and resid 55 and name HN )) (( segid "KH " and resid 54 and name HN )) 4.100 2.100 1.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.79065E-03 ppm1 8.408 ppm2 7.607 CV 1 ASSI { 158} (( segid "KH " and resid 55 and name HN )) (( segid "KH " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.44449E-02 ppm1 8.415 ppm2 3.803 CV 1 OR { 158} (( segid "KH " and resid 55 and name HN )) (( segid "KH " and resid 55 and name HB3 )) ASSI { 159} (( segid "KH " and resid 55 and name HN )) (( segid "KH " and resid 54 and name HA )) 2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.56903E-02 ppm1 8.415 ppm2 4.919 CV 1 ASSI { 160} (( segid "KH " and resid 55 and name HN )) (( segid "KH " and resid 55 and name HA )) 2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.18547E-02 ppm1 8.412 ppm2 4.755 CV 1 ASSI { 161} (( segid "KH " and resid 55 and name HN )) ( segid "KH " and resid 54 and name HB% ) 2.600 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.34008E-02 ppm1 8.415 ppm2 0.979 CV 1 ASSI { 162} (( segid "KH " and resid 55 and name HN )) ( segid "KH " and resid 73 and name HG2%) 3.500 3.500 2.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.98160E-03 ppm1 8.411 ppm2 0.643 CV 1 ASSI { 171} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 56 and name HA )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.49098E-02 ppm1 8.717 ppm2 4.987 CV 1 ASSI { 172} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 57 and name HA )) 3.000 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.15011E-02 ppm1 8.714 ppm2 4.739 CV 1 ASSI { 173} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 72 and name HN )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.92593E-03 ppm1 8.715 ppm2 9.400 CV 1 ASSI { 175} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 57 and name HG2 )) 3.400 1.400 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.11720E-02 ppm1 8.712 ppm2 1.323 CV 1 OR { 175} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 57 and name HG3 )) ASSI { 176} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.13547E-02 ppm1 8.716 ppm2 1.795 CV 1 ASSI { 177} (( segid "KH " and resid 57 and name HN )) (( segid "KH " and resid 57 and name HB3 )) 3.100 1.200 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.16498E-02 ppm1 8.716 ppm2 1.692 CV 1 ASSI { 178} (( segid "KH " and resid 59 and name HN )) ( segid "KH " and resid 59 and name HB% ) 2.700 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.22583E-02 ppm1 8.876 ppm2 1.386 CV 1 ASSI { 179} (( segid "KH " and resid 59 and name HN )) ( segid "KH " and resid 58 and name HG2%) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.19232E-02 ppm1 8.877 ppm2 0.674 CV 1 ASSI { 180} (( segid "KH " and resid 59 and name HN )) (( segid "KH " and resid 71 and name HA )) 2.800 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.89421E-03 ppm1 8.874 ppm2 4.270 CV 1 ASSI { 181} (( segid "KH " and resid 59 and name HN )) (( segid "KH " and resid 59 and name HA )) 3.100 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.10095E-02 ppm1 8.870 ppm2 4.508 CV 1 ASSI { 182} (( segid "KH " and resid 59 and name HN )) (( segid "KH " and resid 58 and name HA )) 2.600 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.21152E-02 ppm1 8.875 ppm2 4.686 CV 1 ASSI { 183} (( segid "KH " and resid 59 and name HN )) (( segid "KH " and resid 72 and name HN )) 3.500 1.600 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.59464E-03 ppm1 8.874 ppm2 9.415 CV 1 ASSI { 185} (( segid "KH " and resid 62 and name HN )) (( segid "KH " and resid 62 and name HB2 )) 2.300 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.68653E-02 ppm1 8.884 ppm2 2.094 CV 1 OR { 185} (( segid "KH " and resid 62 and name HN )) (( segid "KH " and resid 62 and name HB3 )) ASSI { 186} (( segid "KH " and resid 62 and name HN )) (( segid "KH " and resid 62 and name HG3 )) 3.500 1.600 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 8.884 ppm2 2.335 CV 1 OR { 186} (( segid "KH " and resid 62 and name HN )) (( segid "KH " and resid 62 and name HG2 )) ASSI { 187} (( segid "KH " and resid 62 and name HN )) (( segid "KH " and resid 62 and name HA )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 8.885 ppm2 4.027 CV 1 ASSI { 188} (( segid "KH " and resid 62 and name HN )) (( segid "KH " and resid 61 and name HA )) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.45305E-02 ppm1 8.884 ppm2 4.481 CV 1 ASSI { 190} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 62 and name HN )) 2.800 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 7.568 ppm2 8.882 CV 1 ASSI { 191} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 63 and name HA )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.25980E-02 ppm1 7.568 ppm2 4.771 CV 1 ASSI { 192} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 61 and name HA )) 3.700 1.700 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.15813E-02 ppm1 7.567 ppm2 4.485 CV 1 ASSI { 193} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 62 and name HA )) 2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.45953E-02 ppm1 7.567 ppm2 4.042 CV 1 ASSI { 194} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 64 and name HD3 )) 3.900 1.900 1.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 7.565 ppm2 3.766 CV 1 ASSI { 195} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 62 and name HB3 )) 2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.55733E-02 ppm1 7.566 ppm2 2.097 CV 1 OR { 195} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 62 and name HB2 )) ASSI { 196} (( segid "KH " and resid 63 and name HN )) ( segid "KH " and resid 63 and name HG2%) 2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.27377E-02 ppm1 7.568 ppm2 1.181 CV 1 ASSI { 197} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 62 and name HG2 )) 3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.14365E-02 ppm1 7.567 ppm2 2.308 CV 1 OR { 197} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 62 and name HG3 )) ASSI { 199} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 64 and name HA )) 2.900 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.22116E-02 ppm1 7.982 ppm2 4.277 CV 1 ASSI { 200} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 63 and name HB )) 2.800 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.19081E-02 ppm1 7.978 ppm2 4.379 CV 1 ASSI { 201} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 65 and name HA )) 2.900 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 7.983 ppm2 4.608 CV 1 ASSI { 202} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 64 and name HD3 )) 3.700 1.700 1.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 7.983 ppm2 3.746 CV 1 ASSI { 203} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 65 and name HB3 )) 2.600 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.40233E-02 ppm1 7.984 ppm2 2.624 CV 1 OR { 203} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 65 and name HB2 )) ASSI { 204} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 64 and name HB3 )) 3.600 1.600 1.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.17105E-02 ppm1 7.981 ppm2 1.888 CV 1 ASSI { 205} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 66 and name HN )) 2.800 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.24905E-02 ppm1 7.984 ppm2 7.487 CV 1 ASSI { 207} (( segid "KH " and resid 66 and name HN )) (( segid "KH " and resid 65 and name HA )) 3.000 1.200 1.200 peak 207 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 7.494 ppm2 4.611 CV 1 ASSI { 208} (( segid "KH " and resid 66 and name HN )) (( segid "KH " and resid 64 and name HA )) 3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 7.492 ppm2 4.290 CV 1 ASSI { 209} (( segid "KH " and resid 66 and name HN )) (( segid "KH " and resid 66 and name HB2 )) 2.400 0.700 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.74386E-02 ppm1 7.494 ppm2 4.062 CV 1 OR { 209} (( segid "KH " and resid 66 and name HN )) (( segid "KH " and resid 66 and name HB3 )) ASSI { 210} (( segid "KH " and resid 66 and name HN )) (( segid "KH " and resid 65 and name HB3 )) 3.400 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 7.491 ppm2 2.630 CV 1 OR { 210} (( segid "KH " and resid 66 and name HN )) (( segid "KH " and resid 65 and name HB2 )) ASSI { 211} (( segid "KH " and resid 66 and name HN )) ( segid "KH " and resid 63 and name HG2%) 2.500 2.500 3.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 7.489 ppm2 1.191 CV 1 ASSI { 212} (( segid "KH " and resid 68 and name HN )) (( segid "KH " and resid 68 and name HA )) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.17661E-02 ppm1 7.716 ppm2 5.164 CV 1 ASSI { 213} (( segid "KH " and resid 68 and name HN )) ( segid "KH " and resid 68 and name HG2%) 2.600 2.600 3.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.85244E-02 ppm1 7.713 ppm2 0.787 CV 1 ASSI { 214} (( segid "KH " and resid 68 and name HN )) ( segid "KH " and resid 31 and name HB% ) 3.400 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.10868E-02 ppm1 7.713 ppm2 1.208 CV 1 ASSI { 215} (( segid "KH " and resid 68 and name HN )) (( segid "KH " and resid 68 and name HB )) 3.300 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 7.713 ppm2 2.055 CV 1 ASSI { 217} (( segid "KH " and resid 68 and name HN )) (( segid "KH " and resid 67 and name HA )) 3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.17032E-02 ppm1 7.710 ppm2 4.341 CV 1 ASSI { 218} (( segid "KH " and resid 68 and name HN )) (( segid "KH " and resid 31 and name HN )) 3.900 1.900 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.68095E-03 ppm1 7.713 ppm2 8.352 CV 1 ASSI { 219} (( segid "KH " and resid 68 and name HN )) (( segid "KH " and resid 69 and name HN )) 3.700 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.92761E-03 ppm1 7.712 ppm2 9.037 CV 1 ASSI { 220} (( segid "KH " and resid 68 and name HN )) ( segid "KH " and resid 68 and name HG1%) 2.400 0.700 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.68319E-02 ppm1 7.715 ppm2 0.810 CV 1 ASSI { 221} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 68 and name HA )) 2.300 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.43217E-02 ppm1 9.034 ppm2 5.166 CV 1 ASSI { 222} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 69 and name HA )) 3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.97939E-03 ppm1 9.028 ppm2 4.693 CV 1 ASSI { 223} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 28 and name HA )) 3.400 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 9.030 ppm2 4.891 CV 1 ASSI { 224} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 30 and name HA )) 3.800 1.800 1.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.76392E-03 ppm1 9.026 ppm2 4.508 CV 1 ASSI { 226} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 30 and name HB2 )) 2.700 2.700 3.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.77839E-03 ppm1 9.031 ppm2 2.476 CV 1 ASSI { 227} (( segid "KH " and resid 69 and name HN )) ( segid "KH " and resid 68 and name HG2%) 2.400 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.44449E-02 ppm1 9.032 ppm2 0.798 CV 1 ASSI { 228} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 69 and name HG2 )) 3.400 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.18597E-02 ppm1 9.035 ppm2 1.189 CV 1 OR { 228} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 69 and name HG3 )) ASSI { 229} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 69 and name HB2 )) 3.000 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 9.031 ppm2 1.487 CV 1 ASSI { 230} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 68 and name HB )) 3.000 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.32945E-02 ppm1 9.035 ppm2 2.026 CV 1 ASSI { 231} (( segid "KH " and resid 69 and name HN )) ( segid "KH " and resid 29 and name HG2%) 2.600 2.600 3.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 9.032 ppm2 0.626 CV 1 ASSI { 232} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 69 and name HB3 )) 3.000 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 9.032 ppm2 1.077 CV 1 ASSI { 233} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 29 and name HN )) 3.000 1.100 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15479E-02 ppm1 9.033 ppm2 8.779 CV 1 ASSI { 234} (( segid "KH " and resid 69 and name HN )) (( segid "KH " and resid 31 and name HN )) 4.200 2.200 1.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.78563E-03 ppm1 9.041 ppm2 8.338 CV 1 ASSI { 236} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 69 and name HA )) 2.600 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.29989E-02 ppm1 8.796 ppm2 4.688 CV 1 ASSI { 237} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 70 and name HA )) 3.200 1.300 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.90699E-03 ppm1 8.794 ppm2 3.808 CV 1 ASSI { 239} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.21965E-02 ppm1 8.794 ppm2 1.747 CV 1 ASSI { 240} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 70 and name HB3 )) 3.100 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.29454E-02 ppm1 8.794 ppm2 1.463 CV 1 ASSI { 241} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 70 and name HG2 )) 3.800 1.800 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.80066E-03 ppm1 8.794 ppm2 1.177 CV 1 ASSI { 242} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 70 and name HG3 )) 3.000 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 8.790 ppm2 1.021 CV 1 ASSI { 243} (( segid "KH " and resid 70 and name HN )) ( segid "KH " and resid 68 and name HG2%) 3.100 1.200 1.200 peak 243 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 8.793 ppm2 0.781 CV 1 ASSI { 245} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 69 and name HN )) 3.800 1.800 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.83407E-03 ppm1 8.783 ppm2 9.050 CV 1 ASSI { 246} (( segid "KH " and resid 70 and name HN )) (( segid "KH " and resid 71 and name HN )) 3.900 1.900 1.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.92094E-03 ppm1 8.786 ppm2 9.198 CV 1 ASSI { 247} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 70 and name HA )) 2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.39777E-02 ppm1 9.198 ppm2 3.804 CV 1 ASSI { 248} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 26 and name HA )) 4.000 2.000 2.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.79065E-03 ppm1 9.194 ppm2 5.613 CV 1 ASSI { 249} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 28 and name HA )) 3.100 1.200 1.200 peak 249 spectrum 1 weight 0.10000E+01 volume 0.20367E-02 ppm1 9.199 ppm2 4.933 CV 1 ASSI { 250} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 71 and name HA )) 3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.88697E-03 ppm1 9.188 ppm2 4.290 CV 1 ASSI { 251} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 71 and name HB )) 2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 9.193 ppm2 2.011 CV 1 ASSI { 252} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 27 and name HB )) 3.100 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.13151E-02 ppm1 9.190 ppm2 1.671 CV 1 ASSI { 253} (( segid "KH " and resid 71 and name HN )) ( segid "KH " and resid 71 and name HG2%) 2.600 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.39625E-02 ppm1 9.193 ppm2 0.642 CV 1 ASSI { 255} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 70 and name HB3 )) 3.300 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 9.192 ppm2 1.440 CV 1 ASSI { 256} (( segid "KH " and resid 71 and name HN )) ( segid "KH " and resid 71 and name HG1%) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.39625E-02 ppm1 9.193 ppm2 0.642 CV 1 ASSI { 258} (( segid "KH " and resid 71 and name HN )) (( segid "KH " and resid 70 and name HG3 )) 3.900 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 9.192 ppm2 1.016 CV 1 ASSI { 263} (( segid "KH " and resid 72 and name HN )) (( segid "KH " and resid 71 and name HA )) 2.600 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.22762E-02 ppm1 9.406 ppm2 4.295 CV 1 ASSI { 264} (( segid "KH " and resid 72 and name HN )) (( segid "KH " and resid 72 and name HB )) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.17105E-02 ppm1 9.405 ppm2 2.017 CV 1 ASSI { 265} (( segid "KH " and resid 72 and name HN )) ( segid "KH " and resid 72 and name HG1%) 3.500 1.600 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 9.416 ppm2 0.802 CV 1 ASSI { 266} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 72 and name HA )) 2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.34464E-02 ppm1 8.963 ppm2 4.527 CV 1 ASSI { 267} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 73 and name HA )) 3.100 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.10829E-02 ppm1 8.960 ppm2 4.975 CV 1 ASSI { 268} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 26 and name HD2 )) 3.500 1.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.78953E-03 ppm1 8.964 ppm2 6.704 CV 1 ASSI { 269} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 73 and name HB )) 3.000 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 8.962 ppm2 1.986 CV 1 ASSI { 270} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 73 and name HG13)) 3.400 1.400 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.99221E-03 ppm1 8.963 ppm2 1.576 CV 1 OR { 270} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 73 and name HG12)) ASSI { 271} (( segid "KH " and resid 73 and name HN )) ( segid "KH " and resid 24 and name HG2%) 3.400 1.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.84130E-03 ppm1 8.960 ppm2 1.002 CV 1 ASSI { 272} (( segid "KH " and resid 73 and name HN )) (( segid "KH " and resid 74 and name HN )) 4.000 2.000 2.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.64477E-03 ppm1 8.965 ppm2 9.218 CV 1 ASSI { 273} (( segid "KH " and resid 74 and name HN )) (( segid "KH " and resid 73 and name HA )) 2.300 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.56348E-02 ppm1 9.221 ppm2 4.974 CV 1 ASSI { 275} (( segid "KH " and resid 74 and name HN )) (( segid "KH " and resid 74 and name HA )) 3.100 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 9.227 ppm2 5.622 CV 1 ASSI { 276} (( segid "KH " and resid 74 and name HN )) (( segid "KH " and resid 74 and name HB )) 2.600 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.34209E-02 ppm1 9.224 ppm2 3.819 CV 1 ASSI { 277} (( segid "KH " and resid 74 and name HN )) ( segid "KH " and resid 74 and name HG2%) 3.700 1.700 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.14388E-02 ppm1 9.224 ppm2 1.091 CV 1 ASSI { 280} (( segid "KH " and resid 75 and name HN )) (( segid "KH " and resid 74 and name HN )) 3.500 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 8.995 ppm2 9.228 CV 1 ASSI { 281} (( segid "KH " and resid 152 and name HN )) (( segid "KH " and resid 151 and name HN )) 3.700 1.700 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.90590E-03 ppm1 8.992 ppm2 8.423 CV 1 ASSI { 283} (( segid "KH " and resid 75 and name HN )) (( segid "KH " and resid 80 and name HE21)) 3.000 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 8.984 ppm2 6.263 CV 1 ASSI { 285} (( segid "KH " and resid 75 and name HN )) (( segid "KH " and resid 74 and name HA )) 2.500 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.38511E-02 ppm1 8.990 ppm2 5.629 CV 1 ASSI { 286} (( segid "KH " and resid 75 and name HN )) (( segid "KH " and resid 24 and name HA )) 3.700 1.700 1.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 8.988 ppm2 5.253 CV 1 ASSI { 287} (( segid "KH " and resid 75 and name HN )) (( segid "KH " and resid 75 and name HA3 )) 3.000 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.16475E-02 ppm1 8.988 ppm2 3.891 CV 1 ASSI { 288} (( segid "KH " and resid 75 and name HN )) (( segid "KH " and resid 75 and name HA2 )) 3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 8.994 ppm2 4.421 CV 1 ASSI { 289} (( segid "KH " and resid 75 and name HN )) ( segid "KH " and resid 74 and name HG2%) 3.200 1.300 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.18496E-02 ppm1 8.987 ppm2 1.089 CV 1 ASSI { 290} (( segid "KH " and resid 78 and name HN )) (( segid "KH " and resid 78 and name HA )) 3.400 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.85634E-03 ppm1 9.561 ppm2 4.070 CV 1 ASSI { 291} (( segid "KH " and resid 78 and name HN )) (( segid "KH " and resid 79 and name HN )) 3.100 1.200 1.200 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 9.570 ppm2 6.986 CV 1 ASSI { 292} (( segid "KH " and resid 78 and name HN )) (( segid "KH " and resid 78 and name HB3 )) 3.200 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.19510E-02 ppm1 9.570 ppm2 1.955 CV 1 ASSI { 293} (( segid "KH " and resid 78 and name HN )) (( segid "KH " and resid 78 and name HG2 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.85412E-03 ppm1 9.560 ppm2 2.298 CV 1 OR { 293} (( segid "KH " and resid 78 and name HN )) (( segid "KH " and resid 78 and name HG3 )) ASSI { 294} (( segid "KH " and resid 79 and name HN )) ( segid "KH " and resid 79 and name HB% ) 2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.56179E-02 ppm1 7.007 ppm2 1.408 CV 1 ASSI { 295} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 78 and name HB3 )) 2.600 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.32644E-02 ppm1 7.004 ppm2 1.941 CV 1 ASSI { 296} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 78 and name HG2 )) 3.400 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.17261E-02 ppm1 7.004 ppm2 2.287 CV 1 OR { 296} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 78 and name HG3 )) ASSI { 297} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 80 and name HB3 )) 3.700 1.700 1.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.15991E-02 ppm1 7.007 ppm2 2.183 CV 1 OR { 297} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 80 and name HB2 )) ASSI { 298} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 77 and name HA )) 3.600 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.71938E-03 ppm1 7.008 ppm2 3.958 CV 1 ASSI { 299} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 78 and name HA )) 3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.15941E-02 ppm1 7.004 ppm2 4.091 CV 1 ASSI { 300} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 80 and name HA )) 4.000 2.000 2.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.11203E-02 ppm1 7.003 ppm2 3.785 CV 1 ASSI { 301} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 79 and name HA )) 2.900 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.22689E-02 ppm1 7.005 ppm2 4.366 CV 1 ASSI { 302} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 80 and name HN )) 2.700 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.25623E-02 ppm1 7.006 ppm2 8.081 CV 1 ASSI { 304} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 76 and name HD2 )) 4.100 2.100 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.59854E-03 ppm1 7.004 ppm2 3.593 CV 1 OR { 304} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 76 and name HD3 )) ASSI { 305} (( segid "KH " and resid 79 and name HN )) (( segid "KH " and resid 78 and name HB2 )) 3.000 1.100 1.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.18803E-02 ppm1 7.006 ppm2 2.014 CV 1 ASSI { 306} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 80 and name HA )) 2.900 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.19710E-02 ppm1 8.082 ppm2 3.794 CV 1 ASSI { 308} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 81 and name HN )) 3.000 1.100 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.13742E-02 ppm1 8.082 ppm2 7.894 CV 1 ASSI { 309} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 77 and name HA )) 3.200 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 8.084 ppm2 3.964 CV 1 ASSI { 310} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 79 and name HA )) 3.400 1.500 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.98441E-03 ppm1 8.087 ppm2 4.376 CV 1 ASSI { 311} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 80 and name HB3 )) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.28201E-02 ppm1 8.088 ppm2 2.178 CV 1 OR { 311} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 80 and name HB2 )) ASSI { 312} (( segid "KH " and resid 80 and name HN )) ( segid "KH " and resid 79 and name HB% ) 2.900 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.23084E-02 ppm1 8.091 ppm2 1.403 CV 1 ASSI { 313} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 78 and name HB2 )) 2.500 2.500 3.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 8.082 ppm2 2.021 CV 1 ASSI { 314} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 80 and name HG2 )) 3.400 1.400 1.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 8.082 ppm2 2.575 CV 1 OR { 314} (( segid "KH " and resid 80 and name HN )) (( segid "KH " and resid 80 and name HG3 )) ASSI { 315} (( segid "KH " and resid 81 and name HN )) (( segid "KH " and resid 81 and name HB3 )) 2.900 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 7.891 ppm2 3.167 CV 1 ASSI { 316} (( segid "KH " and resid 81 and name HN )) (( segid "KH " and resid 81 and name HB2 )) 3.000 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.14025E-02 ppm1 7.888 ppm2 3.265 CV 1 ASSI { 318} (( segid "KH " and resid 81 and name HN )) (( segid "KH " and resid 81 and name HA )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.25267E-02 ppm1 7.888 ppm2 4.072 CV 1 ASSI { 319} (( segid "KH " and resid 81 and name HN )) ( segid "KH " and resid 81 and name HD% ) 4.200 2.300 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.82627E-03 ppm1 7.887 ppm2 7.214 CV 1 ASSI { 321} (( segid "KH " and resid 82 and name HN )) (( segid "KH " and resid 83 and name HN )) 3.100 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 7.708 ppm2 8.889 CV 1 ASSI { 322} (( segid "KH " and resid 82 and name HN )) ( segid "KH " and resid 81 and name HD% ) 3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.88307E-03 ppm1 7.705 ppm2 7.191 CV 1 ASSI { 323} (( segid "KH " and resid 82 and name HN )) (( segid "KH " and resid 82 and name HA )) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.20117E-02 ppm1 7.711 ppm2 4.010 CV 1 ASSI { 324} (( segid "KH " and resid 82 and name HN )) (( segid "KH " and resid 81 and name HB3 )) 2.800 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.16320E-02 ppm1 7.711 ppm2 3.154 CV 1 ASSI { 325} (( segid "KH " and resid 82 and name HN )) (( segid "KH " and resid 81 and name HB2 )) 3.900 1.900 1.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.11559E-02 ppm1 7.708 ppm2 3.258 CV 1 ASSI { 327} (( segid "KH " and resid 83 and name HN )) (( segid "KH " and resid 83 and name HA )) 3.000 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.16297E-02 ppm1 8.898 ppm2 3.956 CV 1 ASSI { 328} (( segid "KH " and resid 83 and name HN )) (( segid "KH " and resid 80 and name HA )) 3.300 1.400 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.93987E-03 ppm1 8.900 ppm2 3.774 CV 1 ASSI { 330} (( segid "KH " and resid 83 and name HN )) (( segid "KH " and resid 84 and name HN )) 2.900 1.100 1.100 peak 330 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 8.907 ppm2 8.783 CV 1 ASSI { 331} (( segid "KH " and resid 83 and name HN )) ( segid "KH " and resid 52 and name HB% ) 2.900 2.900 3.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.24298E-02 ppm1 8.904 ppm2 1.374 CV 1 ASSI { 332} (( segid "KH " and resid 83 and name HN )) ( segid "KH " and resid 83 and name HB% ) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.29811E-02 ppm1 8.901 ppm2 1.177 CV 1 ASSI { 333} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 85 and name HN )) 3.000 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.13886E-02 ppm1 8.767 ppm2 7.904 CV 1 ASSI { 336} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 83 and name HA )) 3.700 1.700 1.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.72661E-03 ppm1 8.757 ppm2 3.942 CV 1 ASSI { 337} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 84 and name HA )) 2.900 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.18496E-02 ppm1 8.760 ppm2 3.780 CV 1 ASSI { 338} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 85 and name HA2 )) 4.200 2.200 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.73163E-03 ppm1 8.763 ppm2 3.157 CV 1 ASSI { 339} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 84 and name HG3 )) 3.500 1.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.16676E-02 ppm1 8.766 ppm2 2.802 CV 1 OR { 339} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 84 and name HG2 )) ASSI { 340} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 85 and name HA3 )) 3.700 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.18652E-02 ppm1 8.761 ppm2 2.266 CV 1 ASSI { 341} (( segid "KH " and resid 84 and name HN )) (( segid "KH " and resid 87 and name HB )) 3.300 3.300 2.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 8.753 ppm2 1.995 CV 1 ASSI { 342} (( segid "KH " and resid 84 and name HN )) ( segid "KH " and resid 83 and name HB% ) 2.900 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.19966E-02 ppm1 8.758 ppm2 1.170 CV 1 ASSI { 343} (( segid "KH " and resid 85 and name HN )) (( segid "KH " and resid 85 and name HA2 )) 2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.26409E-02 ppm1 7.898 ppm2 3.186 CV 1 ASSI { 345} (( segid "KH " and resid 85 and name HN )) (( segid "KH " and resid 86 and name HN )) 2.900 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.20089E-02 ppm1 7.897 ppm2 7.325 CV 1 ASSI { 347} (( segid "KH " and resid 85 and name HN )) (( segid "KH " and resid 84 and name HA )) 3.200 1.300 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.12400E-02 ppm1 7.909 ppm2 3.803 CV 1 ASSI { 348} (( segid "KH " and resid 85 and name HN )) (( segid "KH " and resid 85 and name HA3 )) 3.000 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.29165E-02 ppm1 7.900 ppm2 2.281 CV 1 ASSI { 351} (( segid "KH " and resid 85 and name HN )) ( segid "KH " and resid 87 and name HG2%) 3.400 1.500 1.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.99720E-03 ppm1 7.897 ppm2 0.643 CV 1 ASSI { 352} (( segid "KH " and resid 88 and name HN )) (( segid "KH " and resid 88 and name HB3 )) 3.600 1.600 1.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 8.024 ppm2 2.721 CV 1 ASSI { 353} (( segid "KH " and resid 88 and name HN )) ( segid "KH " and resid 88 and name HD% ) 2.600 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.32388E-02 ppm1 8.014 ppm2 7.366 CV 1 ASSI { 354} (( segid "KH " and resid 88 and name HN )) ( segid "KH " and resid 88 and name HE% ) 4.100 2.100 1.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11058E-02 ppm1 8.015 ppm2 7.063 CV 1 ASSI { 355} (( segid "KH " and resid 88 and name HN )) ( segid "KH " and resid 87 and name HD1%) 3.300 1.400 1.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 8.021 ppm2 0.539 CV 1 ASSI { 356} (( segid "KH " and resid 89 and name HN )) (( segid "KH " and resid 89 and name HA2 )) 2.300 0.700 0.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.69208E-02 ppm1 7.971 ppm2 3.781 CV 1 OR { 356} (( segid "KH " and resid 89 and name HN )) (( segid "KH " and resid 89 and name HA3 )) ASSI { 359} (( segid "KH " and resid 89 and name HN )) (( segid "KH " and resid 88 and name HB3 )) 3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.16776E-02 ppm1 7.974 ppm2 2.705 CV 1 ASSI { 362} (( segid "KH " and resid 89 and name HN )) (( segid "KH " and resid 92 and name HD2 )) 3.600 3.600 2.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.91370E-03 ppm1 7.978 ppm2 1.723 CV 1 OR { 362} (( segid "KH " and resid 89 and name HN )) (( segid "KH " and resid 92 and name HD3 )) ASSI { 363} (( segid "KH " and resid 89 and name HN )) ( segid "KH " and resid 87 and name HG2%) 4.400 2.400 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.62527E-03 ppm1 7.972 ppm2 0.621 CV 1 ASSI { 364} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HA )) 2.600 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.39275E-02 ppm1 8.422 ppm2 4.162 CV 1 ASSI { 365} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 91 and name HN )) 2.500 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.35828E-02 ppm1 8.427 ppm2 7.572 CV 1 ASSI { 366} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 89 and name HN )) 2.900 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 8.416 ppm2 7.987 CV 1 ASSI { 367} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 89 and name HA2 )) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.33152E-02 ppm1 8.420 ppm2 3.791 CV 1 OR { 367} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 89 and name HA3 )) ASSI { 368} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 87 and name HA )) 3.100 1.200 1.200 peak 368 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 8.424 ppm2 3.475 CV 1 ASSI { 370} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HG3 )) 3.100 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 8.422 ppm2 1.040 CV 1 OR { 370} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HG2 )) ASSI { 371} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 37 and name HG13)) 3.100 3.100 2.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.18803E-02 ppm1 8.425 ppm2 0.919 CV 1 ASSI { 372} (( segid "KH " and resid 90 and name HN )) ( segid "KH " and resid 91 and name HD1%) 3.900 1.900 1.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.13135E-02 ppm1 8.428 ppm2 0.743 CV 1 ASSI { 373} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HB3 )) 2.400 0.700 0.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.53106E-02 ppm1 8.424 ppm2 1.877 CV 1 OR { 373} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HB2 )) ASSI { 374} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HD3 )) 2.900 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 8.422 ppm2 1.476 CV 1 OR { 374} (( segid "KH " and resid 90 and name HN )) (( segid "KH " and resid 90 and name HD2 )) ASSI { 376} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 89 and name HN )) 3.600 1.600 1.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.77671E-03 ppm1 7.544 ppm2 7.982 CV 1 ASSI { 377} (( segid "KH " and resid 91 and name HN )) ( segid "KH " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.95543E-03 ppm1 7.554 ppm2 7.362 CV 1 ASSI { 378} (( segid "KH " and resid 91 and name HN )) ( segid "KH " and resid 97 and name HE% ) 4.100 2.100 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.86526E-03 ppm1 7.544 ppm2 7.163 CV 1 ASSI { 379} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 91 and name HA )) 2.600 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28201E-02 ppm1 7.549 ppm2 4.124 CV 1 ASSI { 380} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 92 and name HA )) 4.000 2.000 2.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.84742E-03 ppm1 7.551 ppm2 4.307 CV 1 ASSI { 381} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 89 and name HA3 )) 3.300 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 7.550 ppm2 3.786 CV 1 OR { 381} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 89 and name HA2 )) ASSI { 382} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 91 and name HB2 )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.30312E-02 ppm1 7.547 ppm2 2.076 CV 1 ASSI { 383} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 91 and name HG )) 2.900 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.48814E-02 ppm1 7.548 ppm2 1.964 CV 1 ASSI { 384} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 92 and name HD2 )) 3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.19081E-02 ppm1 7.552 ppm2 1.700 CV 1 OR { 384} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 92 and name HD3 )) ASSI { 385} (( segid "KH " and resid 91 and name HN )) (( segid "KH " and resid 91 and name HB3 )) 3.300 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.24694E-02 ppm1 7.548 ppm2 1.491 CV 1 ASSI { 386} (( segid "KH " and resid 91 and name HN )) ( segid "KH " and resid 91 and name HD1%) 3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.23725E-02 ppm1 7.550 ppm2 0.750 CV 1 ASSI { 387} (( segid "KH " and resid 91 and name HN )) ( segid "KH " and resid 91 and name HD2%) 2.500 0.800 0.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.30061E-02 ppm1 7.546 ppm2 0.491 CV 1 ASSI { 388} (( segid "KH " and resid 91 and name HN )) ( segid "KH " and resid 105 and name HD1%) 3.800 1.800 1.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 7.551 ppm2 0.861 CV 1 ASSI { 389} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 93 and name HN )) 2.500 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.31987E-02 ppm1 7.537 ppm2 8.477 CV 1 ASSI { 390} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HB3 )) 3.000 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.30885E-02 ppm1 7.533 ppm2 1.916 CV 1 ASSI { 391} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HG3 )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.30668E-02 ppm1 7.535 ppm2 1.494 CV 1 OR { 391} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HG2 )) ASSI { 393} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HD2 )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 7.535 ppm2 1.686 CV 1 OR { 393} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HD3 )) ASSI { 395} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 92 and name HA )) 2.600 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31136E-02 ppm1 7.537 ppm2 4.311 CV 1 ASSI { 396} (( segid "KH " and resid 92 and name HN )) (( segid "KH " and resid 91 and name HA )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.20267E-02 ppm1 7.537 ppm2 4.140 CV 1 ASSI { 399} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 93 and name HA )) 2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.40134E-02 ppm1 8.473 ppm2 3.992 CV 1 ASSI { 401} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 93 and name HG3 )) 3.300 1.300 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.47813E-02 ppm1 8.473 ppm2 2.357 CV 1 OR { 401} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 93 and name HG2 )) ASSI { 402} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 93 and name HB2 )) 2.300 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.72050E-02 ppm1 8.475 ppm2 2.178 CV 1 ASSI { 403} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 92 and name HG3 )) 3.200 1.300 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.20039E-02 ppm1 8.473 ppm2 1.488 CV 1 OR { 403} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 92 and name HG2 )) ASSI { 404} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 93 and name HB3 )) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.47522E-02 ppm1 8.474 ppm2 2.110 CV 1 ASSI { 405} (( segid "KH " and resid 93 and name HN )) (( segid "KH " and resid 92 and name HA )) 2.400 2.400 3.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.71045E-02 ppm1 8.480 ppm2 4.329 CV 1 ASSI { 407} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 93 and name HN )) 2.700 0.900 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.26336E-02 ppm1 7.628 ppm2 8.474 CV 1 ASSI { 408} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 95 and name HN )) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.31731E-02 ppm1 7.629 ppm2 7.869 CV 1 ASSI { 409} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 94 and name HA )) 2.600 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.42718E-02 ppm1 7.629 ppm2 4.320 CV 1 ASSI { 410} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 95 and name HA )) 4.600 2.600 1.400 peak 410 spectrum 1 weight 0.10000E+01 volume 0.84910E-03 ppm1 7.626 ppm2 4.509 CV 1 ASSI { 412} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 93 and name HA )) 3.200 1.300 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.13619E-02 ppm1 7.628 ppm2 3.990 CV 1 ASSI { 413} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 94 and name HB2 )) 2.200 0.600 0.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.63641E-02 ppm1 7.627 ppm2 2.326 CV 1 ASSI { 414} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 94 and name HG3 )) 2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.42004E-02 ppm1 7.628 ppm2 2.114 CV 1 OR { 414} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 94 and name HG2 )) ASSI { 415} (( segid "KH " and resid 94 and name HN )) (( segid "KH " and resid 94 and name HB3 )) 3.200 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.32795E-02 ppm1 7.625 ppm2 1.728 CV 1 ASSI { 417} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 95 and name HA )) 2.100 0.500 0.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.11837E-01 ppm1 7.871 ppm2 4.510 CV 1 ASSI { 420} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 97 and name HN )) 3.900 1.900 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13207E-02 ppm1 7.879 ppm2 8.194 CV 1 ASSI { 421} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 93 and name HN )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.72271E-03 ppm1 7.873 ppm2 8.460 CV 1 ASSI { 422} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 94 and name HA )) 2.600 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.41955E-02 ppm1 7.870 ppm2 4.317 CV 1 ASSI { 423} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 93 and name HA )) 3.300 1.400 1.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 7.872 ppm2 3.986 CV 1 ASSI { 424} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 95 and name HB2 )) 2.900 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 7.870 ppm2 2.874 CV 1 ASSI { 425} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 95 and name HB3 )) 3.100 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 7.871 ppm2 2.661 CV 1 ASSI { 426} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 94 and name HB2 )) 3.100 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.18018E-02 ppm1 7.875 ppm2 2.331 CV 1 ASSI { 427} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 94 and name HG3 )) 3.600 1.700 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.17310E-02 ppm1 7.873 ppm2 2.103 CV 1 OR { 427} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 94 and name HG2 )) ASSI { 428} (( segid "KH " and resid 95 and name HN )) (( segid "KH " and resid 94 and name HB3 )) 3.600 1.600 1.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 7.871 ppm2 1.697 CV 1 ASSI { 431} (( segid "KH " and resid 22 and name HE22)) (( segid "KH " and resid 22 and name HG2 )) 3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.17004E-02 ppm1 6.710 ppm2 2.224 CV 1 ASSI { 432} (( segid "KH " and resid 22 and name HE22)) (( segid "KH " and resid 22 and name HG3 )) 3.700 1.700 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.17155E-02 ppm1 6.710 ppm2 2.144 CV 1 ASSI { 433} (( segid "KH " and resid 22 and name HE22)) (( segid "KH " and resid 22 and name HE21)) 1.500 0.300 0.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.42774E-01 ppm1 6.710 ppm2 7.408 CV 1 ASSI { 434} (( segid "KH " and resid 22 and name HE21)) (( segid "KH " and resid 22 and name HG3 )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20674E-02 ppm1 7.411 ppm2 2.127 CV 1 ASSI { 435} (( segid "KH " and resid 22 and name HE21)) (( segid "KH " and resid 22 and name HG2 )) 2.900 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24833E-02 ppm1 7.410 ppm2 2.240 CV 1 ASSI { 438} (( segid "KH " and resid 32 and name HE22)) (( segid "KH " and resid 32 and name HE21)) 1.600 0.300 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.30406E-01 ppm1 6.922 ppm2 7.661 CV 1 ASSI { 441} (( segid "KH " and resid 32 and name HE22)) (( segid "KH " and resid 32 and name HG3 )) 3.700 1.700 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.16219E-02 ppm1 6.921 ppm2 2.352 CV 1 ASSI { 442} (( segid "KH " and resid 32 and name HE22)) (( segid "KH " and resid 32 and name HB2 )) 4.200 2.200 1.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.73831E-03 ppm1 6.922 ppm2 2.165 CV 1 ASSI { 443} (( segid "KH " and resid 32 and name HE21)) (( segid "KH " and resid 32 and name HG3 )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.20195E-02 ppm1 7.665 ppm2 2.349 CV 1 ASSI { 444} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 80 and name HE21)) 2.800 1.000 1.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.95543E-03 ppm1 6.078 ppm2 6.274 CV 1 ASSI { 446} (( segid "KH " and resid 80 and name HE21)) (( segid "KH " and resid 80 and name HB2 )) 3.700 1.700 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.65478E-03 ppm1 6.257 ppm2 2.230 CV 1 OR { 446} (( segid "KH " and resid 80 and name HE21)) (( segid "KH " and resid 80 and name HB3 )) ASSI { 447} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 80 and name HB2 )) 4.000 2.000 2.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.74611E-03 ppm1 6.057 ppm2 2.218 CV 1 OR { 447} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 80 and name HB3 )) ASSI { 448} (( segid "KH " and resid 80 and name HE21)) (( segid "KH " and resid 23 and name HB2 )) 3.300 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.80344E-03 ppm1 6.255 ppm2 1.999 CV 1 OR { 448} (( segid "KH " and resid 80 and name HE21)) (( segid "KH " and resid 23 and name HB3 )) ASSI { 449} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 23 and name HB2 )) 3.500 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.63085E-03 ppm1 6.055 ppm2 1.980 CV 1 OR { 449} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 23 and name HB3 )) ASSI { 450} (( segid "KH " and resid 80 and name HE22)) ( segid "KH " and resid 73 and name HD1%) 3.400 1.400 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.88307E-03 ppm1 6.068 ppm2 0.594 CV 1 ASSI { 451} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 75 and name HN )) 3.300 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 6.069 ppm2 8.977 CV 1 ASSI { 453} (( segid "KH " and resid 80 and name HE21)) (( segid "KH " and resid 74 and name HA )) 3.600 1.600 1.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.85911E-03 ppm1 6.259 ppm2 5.610 CV 1 ASSI { 454} (( segid "KH " and resid 80 and name HE22)) (( segid "KH " and resid 24 and name HA )) 3.600 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.81348E-03 ppm1 6.063 ppm2 5.289 CV 1 ASSI { 455} (( segid "KH " and resid 84 and name HE22)) (( segid "KH " and resid 84 and name HE21)) 1.900 0.500 0.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.10763E-01 ppm1 6.881 ppm2 7.539 CV 1 ASSI { 457} (( segid "KH " and resid 84 and name HE22)) (( segid "KH " and resid 84 and name HG3 )) 3.600 1.700 1.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 6.880 ppm2 2.783 CV 1 OR { 457} (( segid "KH " and resid 84 and name HE22)) (( segid "KH " and resid 84 and name HG2 )) ASSI { 458} (( segid "KH " and resid 84 and name HE21)) (( segid "KH " and resid 84 and name HG3 )) 2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.37606E-02 ppm1 7.529 ppm2 2.828 CV 1 OR { 458} (( segid "KH " and resid 84 and name HE21)) (( segid "KH " and resid 84 and name HG2 )) ASSI { 459} (( segid "KH " and resid 95 and name HD22)) (( segid "KH " and resid 95 and name HB3 )) 3.500 1.600 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.21687E-02 ppm1 6.588 ppm2 2.656 CV 1 ASSI { 460} (( segid "KH " and resid 95 and name HD22)) (( segid "KH " and resid 95 and name HB2 )) 4.000 2.000 2.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 6.587 ppm2 2.870 CV 1 ASSI { 461} (( segid "KH " and resid 95 and name HD21)) (( segid "KH " and resid 95 and name HB3 )) 2.600 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.29521E-02 ppm1 7.355 ppm2 2.652 CV 1 ASSI { 462} (( segid "KH " and resid 95 and name HD21)) (( segid "KH " and resid 95 and name HB2 )) 3.200 1.300 1.300 peak 462 spectrum 1 weight 0.10000E+01 volume 0.13797E-02 ppm1 7.354 ppm2 2.880 CV 1 ASSI { 463} (( segid "KH " and resid 95 and name HD22)) (( segid "KH " and resid 95 and name HA )) 4.100 2.100 1.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.63138E-03 ppm1 6.589 ppm2 4.519 CV 1 ASSI { 465} (( segid "KH " and resid 95 and name HD22)) (( segid "KH " and resid 95 and name HD21)) 1.600 0.300 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.29438E-01 ppm1 6.589 ppm2 7.354 CV 1 ASSI { 469} (( segid "KH " and resid 38 and name HN )) ( segid "KH " and resid 38 and name HG2%) 4.000 2.000 2.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 7.918 ppm2 0.824 CV 1 ASSI { 470} (( segid "KH " and resid 42 and name HN )) ( segid "KH " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 8.273 ppm2 0.804 CV 1 ASSI { 472} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 47 and name HA )) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.51392E-02 ppm1 7.616 ppm2 4.031 CV 1 ASSI { 473} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 50 and name HA )) 2.300 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.83519E-02 ppm1 7.619 ppm2 4.151 CV 1 ASSI { 475} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 49 and name HN )) 2.800 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.21431E-02 ppm1 7.621 ppm2 8.203 CV 1 ASSI { 476} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 47 and name HA )) 2.500 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.51392E-02 ppm1 7.619 ppm2 4.031 CV 1 ASSI { 477} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 50 and name HB3 )) 2.300 0.600 0.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.83129E-02 ppm1 7.619 ppm2 1.916 CV 1 OR { 477} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 50 and name HB2 )) ASSI { 478} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 50 and name HG2 )) 2.900 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.41604E-02 ppm1 7.617 ppm2 1.771 CV 1 ASSI { 479} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 50 and name HG3 )) 2.700 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.25768E-02 ppm1 7.619 ppm2 1.686 CV 1 ASSI { 481} (( segid "KH " and resid 49 and name HN )) (( segid "KH " and resid 49 and name HA )) 2.600 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.40435E-02 ppm1 8.213 ppm2 4.151 CV 1 ASSI { 484} (( segid "KH " and resid 49 and name HN )) (( segid "KH " and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22511E-02 ppm1 8.214 ppm2 4.079 CV 1 OR { 484} (( segid "KH " and resid 49 and name HN )) (( segid "KH " and resid 49 and name HB3 )) ASSI { 485} (( segid "KH " and resid 49 and name HN )) (( segid "KH " and resid 45 and name HA )) 2.700 2.700 3.300 peak 485 spectrum 1 weight 0.10000E+01 volume 0.78060E-03 ppm1 8.224 ppm2 3.900 CV 1 ASSI { 486} (( segid "KH " and resid 49 and name HN )) (( segid "KH " and resid 48 and name HB2 )) 3.700 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.13547E-02 ppm1 8.212 ppm2 1.612 CV 1 ASSI { 487} (( segid "KH " and resid 49 and name HN )) (( segid "KH " and resid 48 and name HB3 )) 2.900 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.12956E-02 ppm1 8.214 ppm2 1.345 CV 1 ASSI { 489} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 49 and name HN )) 2.900 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 8.431 ppm2 8.198 CV 1 ASSI { 490} (( segid "KH " and resid 48 and name HN )) ( segid "KH " and resid 48 and name HD2%) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 8.441 ppm2 0.619 CV 1 ASSI { 491} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 48 and name HB3 )) 2.600 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.33403E-02 ppm1 8.436 ppm2 1.341 CV 1 ASSI { 492} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 48 and name HA )) 2.600 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.37907E-02 ppm1 8.433 ppm2 4.038 CV 1 ASSI { 493} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 45 and name HA )) 3.000 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.16576E-02 ppm1 8.438 ppm2 3.887 CV 1 ASSI { 494} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 47 and name HA )) 2.700 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.39883E-02 ppm1 8.434 ppm2 4.042 CV 1 ASSI { 495} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 48 and name HB2 )) 2.600 0.800 0.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.31531E-02 ppm1 8.431 ppm2 1.610 CV 1 ASSI { 496} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 48 and name HG )) 3.300 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.35121E-02 ppm1 8.431 ppm2 1.775 CV 1 ASSI { 497} (( segid "KH " and resid 48 and name HN )) ( segid "KH " and resid 48 and name HD1%) 3.800 1.800 1.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.13096E-02 ppm1 8.431 ppm2 0.783 CV 1 ASSI { 498} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 48 and name HN )) 2.600 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 7.615 ppm2 8.425 CV 1 ASSI { 499} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.36793E-02 ppm1 7.612 ppm2 2.198 CV 1 ASSI { 500} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 47 and name HB3 )) 2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.38363E-02 ppm1 7.612 ppm2 2.104 CV 1 ASSI { 501} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 46 and name HA )) 2.800 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.30774E-02 ppm1 7.613 ppm2 4.133 CV 1 ASSI { 503} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HA )) 3.100 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 7.329 ppm2 4.157 CV 1 ASSI { 506} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 85 and name HA2 )) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.99832E-03 ppm1 7.319 ppm2 3.183 CV 1 ASSI { 507} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HD3 )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.70599E-03 ppm1 7.320 ppm2 3.036 CV 1 OR { 507} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HD2 )) ASSI { 508} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 85 and name HA3 )) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.93095E-03 ppm1 7.329 ppm2 2.285 CV 1 ASSI { 509} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HB3 )) 2.800 1.000 1.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21559E-02 ppm1 7.325 ppm2 1.905 CV 1 OR { 509} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HB2 )) ASSI { 510} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HG3 )) 3.600 1.600 1.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 7.320 ppm2 1.559 CV 1 ASSI { 511} (( segid "KH " and resid 86 and name HN )) (( segid "KH " and resid 86 and name HG2 )) 2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.14493E-02 ppm1 7.325 ppm2 1.795 CV 1 ASSI { 512} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 87 and name HA )) 2.800 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.25406E-02 ppm1 7.672 ppm2 3.489 CV 1 ASSI { 513} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 87 and name HG13)) 3.500 1.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.24655E-02 ppm1 7.674 ppm2 0.892 CV 1 ASSI { 515} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 87 and name HB )) 2.400 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.43474E-02 ppm1 7.673 ppm2 1.960 CV 1 ASSI { 516} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 87 and name HG12)) 3.300 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.28630E-02 ppm1 7.673 ppm2 1.746 CV 1 ASSI { 517} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 89 and name HA2 )) 3.400 3.400 2.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.17132E-02 ppm1 7.679 ppm2 3.791 CV 1 OR { 517} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 89 and name HA3 )) ASSI { 518} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 86 and name HA )) 3.500 1.500 1.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.90200E-03 ppm1 7.672 ppm2 4.160 CV 1 ASSI { 519} (( segid "KH " and resid 87 and name HN )) (( segid "KH " and resid 86 and name HN )) 2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.27127E-02 ppm1 7.670 ppm2 7.343 CV 1 ASSI { 521} (( segid "KH " and resid 87 and name HN )) ( segid "KH " and resid 87 and name HD1%) 3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.32188E-02 ppm1 7.672 ppm2 0.544 CV 1 ASSI { 522} (( segid "KH " and resid 87 and name HN )) ( segid "KH " and resid 87 and name HG2%) 2.900 1.000 1.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.24872E-02 ppm1 7.672 ppm2 0.626 CV 1 ASSI { 523} (( segid "KH " and resid 88 and name HN )) (( segid "KH " and resid 87 and name HN )) 2.700 0.900 0.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.22472E-02 ppm1 8.014 ppm2 7.672 CV 1 ASSI { 525} (( segid "KH " and resid 88 and name HN )) (( segid "KH " and resid 88 and name HA )) 2.600 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.30774E-02 ppm1 8.016 ppm2 3.806 CV 1 ASSI { 526} (( segid "KH " and resid 88 and name HN )) (( segid "KH " and resid 87 and name HA )) 3.400 1.500 1.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.77727E-03 ppm1 8.016 ppm2 3.522 CV 1 ASSI { 528} (( segid "KH " and resid 88 and name HN )) (( segid "KH " and resid 88 and name HB2 )) 2.500 2.500 3.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.25946E-02 ppm1 8.023 ppm2 2.821 CV 1 ASSI { 529} (( segid "KH " and resid 88 and name HN )) (( segid "KH " and resid 87 and name HB )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 8.021 ppm2 1.979 CV 1 ASSI { 532} (( segid "KH " and resid 73 and name HN )) ( segid "KH " and resid 72 and name HG1%) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.21887E-02 ppm1 8.964 ppm2 0.817 CV 1 ASSI { 533} (( segid "KH " and resid 37 and name HN )) ( segid "KH " and resid 36 and name HB% ) 3.200 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.15529E-02 ppm1 7.122 ppm2 1.259 CV 1 ASSI { 535} (( segid "KH " and resid 63 and name HN )) (( segid "KH " and resid 63 and name HB )) 3.600 1.600 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 7.568 ppm2 4.408 CV 1 ASSI { 536} (( segid "KH " and resid 96 and name HN )) (( segid "KH " and resid 97 and name HN )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.43425E-02 ppm1 7.857 ppm2 8.193 CV 1 ASSI { 537} (( segid "KH " and resid 96 and name HN )) ( segid "KH " and resid 97 and name HE% ) 2.900 2.900 3.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.32439E-02 ppm1 7.855 ppm2 7.161 CV 1 ASSI { 538} (( segid "KH " and resid 96 and name HN )) (( segid "KH " and resid 95 and name HA )) 2.500 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.36793E-02 ppm1 7.854 ppm2 4.515 CV 1 ASSI { 539} (( segid "KH " and resid 96 and name HN )) (( segid "KH " and resid 96 and name HA )) 2.500 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.45160E-02 ppm1 7.854 ppm2 4.132 CV 1 ASSI { 540} (( segid "KH " and resid 96 and name HN )) (( segid "KH " and resid 96 and name HB3 )) 2.400 0.700 0.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.54901E-02 ppm1 7.854 ppm2 2.791 CV 1 OR { 540} (( segid "KH " and resid 96 and name HN )) (( segid "KH " and resid 96 and name HB2 )) ASSI { 542} (( segid "KH " and resid 97 and name HN )) ( segid "KH " and resid 97 and name HD% ) 2.600 0.900 0.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.26269E-02 ppm1 8.191 ppm2 7.237 CV 1 ASSI { 543} (( segid "KH " and resid 97 and name HN )) (( segid "KH " and resid 97 and name HA )) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.42718E-02 ppm1 8.192 ppm2 4.543 CV 1 ASSI { 544} (( segid "KH " and resid 97 and name HN )) (( segid "KH " and resid 92 and name HA )) 3.200 3.200 2.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 8.194 ppm2 4.298 CV 1 ASSI { 545} (( segid "KH " and resid 97 and name HN )) (( segid "KH " and resid 97 and name HB2 )) 2.900 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.24694E-02 ppm1 8.193 ppm2 3.163 CV 1 ASSI { 546} (( segid "KH " and resid 97 and name HN )) (( segid "KH " and resid 96 and name HB3 )) 3.100 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 8.191 ppm2 2.835 CV 1 OR { 546} (( segid "KH " and resid 97 and name HN )) (( segid "KH " and resid 96 and name HB2 )) ASSI { 547} (( segid "KH " and resid 97 and name HN )) (( segid "KH " and resid 97 and name HB3 )) 2.700 0.900 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 8.194 ppm2 2.682 CV 1 ASSI { 548} (( segid "KH " and resid 94 and name HN )) ( segid "KH " and resid 97 and name HE% ) 3.500 3.500 2.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 7.626 ppm2 7.163 CV 1 ASSI { 551} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 44 and name HB3 )) 3.900 1.900 1.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.96436E-03 ppm1 8.070 ppm2 2.629 CV 1 ASSI { 552} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.79065E-03 ppm1 8.069 ppm2 3.138 CV 1 ASSI { 553} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 45 and name HA )) 3.000 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.15690E-02 ppm1 8.074 ppm2 3.881 CV 1 ASSI { 554} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 46 and name HA )) 4.100 2.100 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.89421E-03 ppm1 8.077 ppm2 4.125 CV 1 ASSI { 555} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 44 and name HA )) 3.200 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.12255E-02 ppm1 8.080 ppm2 4.310 CV 1 ASSI { 556} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 45 and name HB )) 2.900 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.17611E-02 ppm1 8.071 ppm2 2.106 CV 1 ASSI { 557} (( segid "KH " and resid 45 and name HN )) ( segid "KH " and resid 45 and name HG2%) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.26052E-02 ppm1 8.071 ppm2 1.182 CV 1 ASSI { 558} (( segid "KH " and resid 45 and name HN )) ( segid "KH " and resid 45 and name HD1%) 5.000 3.100 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.72826E-03 ppm1 8.070 ppm2 0.562 CV 1 ASSI { 559} (( segid "KH " and resid 44 and name HN )) (( segid "KH " and resid 44 and name HA )) 3.000 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 7.692 ppm2 4.343 CV 1 ASSI { 560} (( segid "KH " and resid 44 and name HN )) (( segid "KH " and resid 45 and name HA )) 3.400 3.400 2.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.22439E-02 ppm1 7.690 ppm2 3.907 CV 1 ASSI { 561} (( segid "KH " and resid 44 and name HN )) (( segid "KH " and resid 44 and name HB2 )) 2.900 1.000 1.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 7.705 ppm2 3.146 CV 1 ASSI { 562} (( segid "KH " and resid 44 and name HN )) (( segid "KH " and resid 44 and name HB3 )) 3.700 1.700 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13797E-02 ppm1 7.708 ppm2 2.613 CV 1 ASSI { 563} (( segid "KH " and resid 44 and name HN )) (( segid "KH " and resid 44 and name HD2 )) 3.200 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.82237E-03 ppm1 7.702 ppm2 6.959 CV 1 ASSI { 564} (( segid "KH " and resid 44 and name HN )) (( segid "KH " and resid 45 and name HN )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 7.694 ppm2 8.049 CV 1 ASSI { 565} (( segid "KH " and resid 50 and name HN )) (( segid "KH " and resid 47 and name HG2 )) 3.600 3.600 2.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.65590E-03 ppm1 7.587 ppm2 2.504 CV 1 ASSI { 566} (( segid "KH " and resid 40 and name HN )) (( segid "KH " and resid 40 and name HA )) 2.200 0.600 0.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.10824E-01 ppm1 7.972 ppm2 4.588 CV 1 ASSI { 567} (( segid "KH " and resid 40 and name HN )) (( segid "KH " and resid 41 and name HA )) 2.600 2.600 3.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.90756E-02 ppm1 7.972 ppm2 4.575 CV 1 ASSI { 568} (( segid "KH " and resid 40 and name HN )) (( segid "KH " and resid 39 and name HN )) 4.100 2.100 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.76947E-03 ppm1 7.972 ppm2 7.666 CV 1 ASSI { 571} (( segid "KH " and resid 58 and name HN )) (( segid "KH " and resid 58 and name HA )) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63528E-03 ppm1 9.825 ppm2 4.731 CV 1 ASSI { 572} (( segid "KH " and resid 58 and name HN )) (( segid "KH " and resid 58 and name HB )) 3.400 1.400 1.400 peak 572 spectrum 1 weight 0.10000E+01 volume 0.56738E-03 ppm1 9.805 ppm2 1.752 CV 1 ASSI { 573} (( segid "KH " and resid 42 and name HN )) (( segid "KH " and resid 42 and name HA2 )) 3.400 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 8.278 ppm2 4.028 CV 1 ASSI { 574} (( segid "KH " and resid 42 and name HN )) (( segid "KH " and resid 44 and name HD2 )) 3.800 1.800 1.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.82237E-03 ppm1 8.272 ppm2 6.960 CV 1 ASSI { 576} (( segid "KH " and resid 39 and name HN )) ( segid "KH " and resid 38 and name HD1%) 4.500 2.600 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.55846E-03 ppm1 7.664 ppm2 -0.289 CV 1 ASSI { 577} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 28 and name HB3 )) 3.400 1.500 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.89087E-03 ppm1 8.752 ppm2 2.479 CV 1 ASSI { 578} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 28 and name HB2 )) 4.200 2.300 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.68987E-03 ppm1 8.776 ppm2 2.975 CV 1 ASSI { 579} (( segid "KH " and resid 29 and name HN )) (( segid "KH " and resid 68 and name HB )) 4.100 2.100 1.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.55466E-03 ppm1 8.757 ppm2 2.015 CV 1 ASSI { 582} (( segid "KH " and resid 33 and name HN )) (( segid "KH " and resid 32 and name HN )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.10512E-02 ppm1 7.559 ppm2 9.068 CV 1 ASSI { 583} (( segid "KH " and resid 34 and name HN )) ( segid "KH " and resid 31 and name HB% ) 4.300 2.300 1.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.61638E-03 ppm1 6.938 ppm2 1.225 CV 1 ASSI { 584} (( segid "KH " and resid 34 and name HN )) (( segid "KH " and resid 29 and name HB )) 3.400 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.67649E-03 ppm1 6.944 ppm2 1.456 CV 1 ASSI { 585} (( segid "KH " and resid 36 and name HN )) (( segid "KH " and resid 38 and name HN )) 4.000 2.000 2.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.61803E-03 ppm1 7.588 ppm2 7.915 CV 1 ASSI { 586} (( segid "KH " and resid 36 and name HN )) (( segid "KH " and resid 33 and name HA )) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 7.590 ppm2 3.952 CV 1 ASSI { 589} (( segid "KH " and resid 38 and name HN )) (( segid "KH " and resid 37 and name HG13)) 2.500 2.500 3.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 7.919 ppm2 0.923 CV 1 ASSI { 590} (( segid "KH " and resid 40 and name HN )) (( segid "KH " and resid 39 and name HA2 )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.81457E-03 ppm1 7.977 ppm2 3.902 CV 1 ASSI { 592} (( segid "KH " and resid 44 and name HN )) ( segid "KH " and resid 45 and name HG2%) 3.700 1.700 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.11576E-02 ppm1 7.694 ppm2 1.189 CV 1 ASSI { 593} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 46 and name HD3 )) 4.000 2.000 2.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.86804E-03 ppm1 8.072 ppm2 1.804 CV 1 OR { 593} (( segid "KH " and resid 45 and name HN )) (( segid "KH " and resid 46 and name HD2 )) ASSI { 594} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 47 and name HG2 )) 3.600 1.600 1.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.15512E-02 ppm1 7.607 ppm2 2.534 CV 1 ASSI { 595} (( segid "KH " and resid 47 and name HN )) (( segid "KH " and resid 47 and name HG3 )) 3.800 1.800 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 7.614 ppm2 2.343 CV 1 ASSI { 596} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 47 and name HG2 )) 3.500 1.600 1.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.77727E-03 ppm1 8.435 ppm2 2.506 CV 1 ASSI { 597} (( segid "KH " and resid 48 and name HN )) (( segid "KH " and resid 47 and name HB3 )) 2.400 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.45305E-02 ppm1 8.431 ppm2 2.114 CV 1 ASSI { 598} (( segid "KH " and resid 56 and name HN )) (( segid "KH " and resid 57 and name HN )) 4.100 2.100 1.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.65590E-03 ppm1 8.440 ppm2 8.734 CV 1 ASSI { 600} (( segid "KH " and resid 59 and name HN )) (( segid "KH " and resid 58 and name HB )) 3.700 1.800 1.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.75946E-03 ppm1 8.877 ppm2 1.723 CV 1 ASSI { 603} (( segid "KH " and resid 65 and name HN )) (( segid "KH " and resid 64 and name HB2 )) 3.300 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.73831E-03 ppm1 7.983 ppm2 2.346 CV 1 ASSI { 606} (( segid "KH " and resid 42 and name HN )) (( segid "KH " and resid 40 and name HB2 )) 3.100 3.100 2.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 8.272 ppm2 1.784 CV 1 ASSI { 607} (( segid "KH " and resid 41 and name HN )) (( segid "KH " and resid 41 and name HA )) 3.500 1.500 1.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.73107E-03 ppm1 10.475 ppm2 4.590 CV 1 ASSI { 608} (( segid "KH " and resid 41 and name HN )) (( segid "KH " and resid 41 and name HB3 )) 3.800 1.800 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.49782E-03 ppm1 10.461 ppm2 1.784 CV 1 OR { 608} (( segid "KH " and resid 41 and name HN )) (( segid "KH " and resid 41 and name HB2 )) ASSI { 609} (( segid "KH " and resid 41 and name HN )) (( segid "KH " and resid 41 and name HG2 )) 3.600 1.700 1.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.70044E-03 ppm1 10.464 ppm2 1.534 CV 1 ASSI { 610} (( segid "KH " and resid 41 and name HN )) (( segid "KH " and resid 41 and name HG3 )) 3.800 1.800 1.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.48586E-03 ppm1 10.463 ppm2 1.456 CV 1 ASSI { 613} (( segid "KH " and resid 98 and name HN )) ( segid "KH " and resid 97 and name HD% ) 3.900 1.900 1.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.79564E-03 ppm1 8.547 ppm2 7.231 CV 1 ASSI { 614} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 98 and name HA3 )) 2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.49888E-02 ppm1 8.546 ppm2 4.119 CV 1 OR { 614} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 98 and name HA2 )) ASSI { 615} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 99 and name HD2 )) 3.800 1.800 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.17661E-02 ppm1 8.546 ppm2 3.664 CV 1 OR { 615} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 99 and name HD3 )) ASSI { 616} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 97 and name HA )) 2.600 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.49026E-02 ppm1 8.546 ppm2 4.548 CV 1 ASSI { 617} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 8.546 ppm2 3.162 CV 1 ASSI { 618} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 97 and name HB3 )) 3.500 1.500 1.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 8.546 ppm2 2.667 CV 1 ASSI { 619} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 101 and name HG3 )) 3.700 1.700 1.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.11236E-02 ppm1 8.546 ppm2 2.260 CV 1 OR { 619} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 101 and name HG2 )) ASSI { 620} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 101 and name HB3 )) 3.000 1.200 1.200 peak 620 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 8.546 ppm2 1.984 CV 1 ASSI { 621} (( segid "KH " and resid 98 and name HN )) (( segid "KH " and resid 101 and name HB2 )) 4.000 2.000 2.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10044E-02 ppm1 8.546 ppm2 2.090 CV 1 ASSI { 623} (( segid "KH " and resid 100 and name HN )) (( segid "KH " and resid 101 and name HN )) 3.000 1.100 1.100 peak 623 spectrum 1 weight 0.10000E+01 volume 0.13708E-02 ppm1 8.507 ppm2 7.549 CV 1 ASSI { 625} (( segid "KH " and resid 100 and name HN )) (( segid "KH " and resid 100 and name HA )) 2.800 1.000 1.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.26448E-02 ppm1 8.507 ppm2 4.349 CV 1 ASSI { 626} (( segid "KH " and resid 100 and name HN )) (( segid "KH " and resid 100 and name HD3 )) 3.400 1.400 1.400 peak 626 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 8.507 ppm2 1.721 CV 1 OR { 626} (( segid "KH " and resid 100 and name HN )) (( segid "KH " and resid 100 and name HD2 )) ASSI { 627} (( segid "KH " and resid 100 and name HN )) (( segid "KH " and resid 100 and name HB3 )) 3.400 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.19788E-02 ppm1 8.507 ppm2 1.994 CV 1 ASSI { 629} (( segid "KH " and resid 100 and name HN )) (( segid "KH " and resid 99 and name HB2 )) 2.900 1.000 1.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.13458E-02 ppm1 8.507 ppm2 2.315 CV 1 ASSI { 630} (( segid "KH " and resid 101 and name HN )) (( segid "KH " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.51960E-02 ppm1 7.556 ppm2 2.090 CV 1 ASSI { 633} (( segid "KH " and resid 101 and name HN )) (( segid "KH " and resid 102 and name HN )) 3.600 1.600 1.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 7.558 ppm2 8.434 CV 1 ASSI { 634} (( segid "KH " and resid 101 and name HN )) (( segid "KH " and resid 101 and name HA )) 2.300 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.77228E-02 ppm1 7.556 ppm2 4.370 CV 1 ASSI { 635} (( segid "KH " and resid 33 and name HN )) (( segid "KH " and resid 34 and name HB )) 3.300 1.400 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.40590E-02 ppm1 7.556 ppm2 1.777 CV 1 ASSI { 638} (( segid "KH " and resid 33 and name HN )) (( segid "KH " and resid 37 and name HG12)) 3.400 1.400 1.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.16498E-02 ppm1 7.556 ppm2 1.355 CV 1 ASSI { 640} (( segid "KH " and resid 102 and name HN )) (( segid "KH " and resid 102 and name HG3 )) 2.600 0.800 0.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.66092E-02 ppm1 8.429 ppm2 2.131 CV 1 OR { 640} (( segid "KH " and resid 102 and name HN )) (( segid "KH " and resid 102 and name HG2 )) ASSI { 641} (( segid "KH " and resid 102 and name HN )) (( segid "KH " and resid 102 and name HB2 )) 2.200 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.54253E-02 ppm1 8.429 ppm2 1.862 CV 1 ASSI { 642} (( segid "KH " and resid 102 and name HN )) (( segid "KH " and resid 102 and name HB3 )) 2.900 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.80288E-02 ppm1 8.429 ppm2 1.722 CV 1 ASSI { 643} (( segid "KH " and resid 102 and name HN )) (( segid "KH " and resid 101 and name HA )) 2.100 0.500 0.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.12183E-01 ppm1 8.428 ppm2 4.374 CV 1 ASSI { 646} (( segid "KH " and resid 103 and name HN )) (( segid "KH " and resid 103 and name HA )) 2.700 0.900 0.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.22867E-02 ppm1 8.543 ppm2 2.767 CV 1 ASSI { 648} (( segid "KH " and resid 103 and name HN )) (( segid "KH " and resid 103 and name HB )) 2.400 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.46237E-02 ppm1 8.548 ppm2 2.030 CV 1 ASSI { 649} (( segid "KH " and resid 103 and name HN )) (( segid "KH " and resid 102 and name HB2 )) 3.200 1.300 1.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.35072E-02 ppm1 8.548 ppm2 1.830 CV 1 ASSI { 650} (( segid "KH " and resid 103 and name HN )) ( segid "KH " and resid 103 and name HG1%) 2.300 0.700 0.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.67817E-02 ppm1 8.548 ppm2 0.839 CV 1 ASSI { 651} (( segid "KH " and resid 103 and name HN )) ( segid "KH " and resid 103 and name HG2%) 3.200 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.23224E-02 ppm1 8.548 ppm2 0.496 CV 1 ASSI { 654} (( segid "KH " and resid 104 and name HN )) (( segid "KH " and resid 103 and name HA )) 2.300 0.600 0.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.60468E-02 ppm1 6.908 ppm2 2.746 CV 1 ASSI { 656} (( segid "KH " and resid 104 and name HN )) (( segid "KH " and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.18268E-02 ppm1 6.908 ppm2 1.578 CV 1 ASSI { 657} (( segid "KH " and resid 104 and name HN )) (( segid "KH " and resid 104 and name HB3 )) 3.600 1.600 1.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 6.908 ppm2 1.470 CV 1 ASSI { 661} (( segid "KH " and resid 105 and name HN )) (( segid "KH " and resid 105 and name HA )) 3.000 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.13975E-02 ppm1 7.465 ppm2 4.899 CV 1 ASSI { 662} (( segid "KH " and resid 105 and name HN )) (( segid "KH " and resid 104 and name HA )) 2.700 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.22043E-02 ppm1 7.465 ppm2 4.589 CV 1 ASSI { 663} (( segid "KH " and resid 105 and name HN )) (( segid "KH " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 7.466 ppm2 1.450 CV 1 ASSI { 664} (( segid "KH " and resid 105 and name HN )) ( segid "KH " and resid 105 and name HD1%) 3.300 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.21737E-02 ppm1 7.466 ppm2 0.854 CV 1 ASSI { 665} (( segid "KH " and resid 105 and name HN )) (( segid "KH " and resid 104 and name HB2 )) 3.900 1.900 1.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 7.466 ppm2 1.578 CV 1 ASSI { 667} (( segid "KH " and resid 106 and name HN )) (( segid "KH " and resid 106 and name HA )) 2.800 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.22260E-02 ppm1 8.867 ppm2 4.906 CV 1 ASSI { 668} (( segid "KH " and resid 106 and name HN )) (( segid "KH " and resid 106 and name HB2 )) 3.100 1.200 1.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 8.867 ppm2 1.963 CV 1 OR { 668} (( segid "KH " and resid 106 and name HN )) (( segid "KH " and resid 106 and name HB3 )) ASSI { 669} (( segid "KH " and resid 106 and name HN )) (( segid "KH " and resid 106 and name HG2 )) 3.700 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.84130E-03 ppm1 8.867 ppm2 2.049 CV 1 OR { 669} (( segid "KH " and resid 106 and name HN )) (( segid "KH " and resid 106 and name HG3 )) ASSI { 670} (( segid "KH " and resid 106 and name HN )) (( segid "KH " and resid 105 and name HB2 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.10234E-02 ppm1 8.867 ppm2 1.442 CV 1 ASSI { 671} (( segid "KH " and resid 106 and name HN )) ( segid "KH " and resid 105 and name HD1%) 2.500 0.800 0.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 8.871 ppm2 0.870 CV 1 ASSI { 673} (( segid "KH " and resid 107 and name HN )) (( segid "KH " and resid 108 and name HN )) 3.900 1.900 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.68875E-03 ppm1 9.344 ppm2 10.105 CV 1 ASSI { 674} (( segid "KH " and resid 107 and name HN )) (( segid "KH " and resid 107 and name HA )) 2.700 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.26409E-02 ppm1 9.344 ppm2 5.575 CV 1 ASSI { 675} (( segid "KH " and resid 107 and name HN )) (( segid "KH " and resid 106 and name HA )) 2.500 0.800 0.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.32238E-02 ppm1 9.344 ppm2 4.914 CV 1 ASSI { 676} (( segid "KH " and resid 107 and name HN )) (( segid "KH " and resid 107 and name HB )) 3.000 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 9.344 ppm2 3.923 CV 1 ASSI { 677} (( segid "KH " and resid 107 and name HN )) (( segid "KH " and resid 106 and name HB3 )) 3.000 1.100 1.100 peak 677 spectrum 1 weight 0.10000E+01 volume 0.30523E-02 ppm1 9.344 ppm2 1.988 CV 1 OR { 677} (( segid "KH " and resid 107 and name HN )) (( segid "KH " and resid 106 and name HB2 )) ASSI { 679} (( segid "KH " and resid 27 and name HN )) ( segid "KH " and resid 59 and name HB% ) 3.500 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.11058E-02 ppm1 9.344 ppm2 1.384 CV 1 ASSI { 681} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 26 and name HN )) 3.200 1.300 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 10.114 ppm2 8.137 CV 1 ASSI { 682} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 107 and name HA )) 2.500 0.800 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.38363E-02 ppm1 10.114 ppm2 5.506 CV 1 ASSI { 683} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 108 and name HA )) 3.100 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 10.114 ppm2 6.054 CV 1 ASSI { 684} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 108 and name HB3 )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13296E-02 ppm1 10.111 ppm2 2.975 CV 1 ASSI { 685} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 26 and name HB2 )) 3.300 1.400 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.97272E-03 ppm1 10.114 ppm2 3.110 CV 1 ASSI { 686} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 108 and name HB2 )) 2.900 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 10.111 ppm2 3.235 CV 1 ASSI { 687} (( segid "KH " and resid 108 and name HN )) (( segid "KH " and resid 26 and name HB3 )) 3.800 1.800 1.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.10033E-02 ppm1 10.111 ppm2 2.400 CV 1 ASSI { 688} (( segid "KH " and resid 108 and name HN )) ( segid "KH " and resid 107 and name HG2%) 3.300 1.300 1.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 10.115 ppm2 1.051 CV 1 ASSI { 689} (( segid "KH " and resid 108 and name HN )) ( segid "KH " and resid 109 and name HG2%) 3.100 1.200 1.200 peak 689 spectrum 1 weight 0.10000E+01 volume 0.12255E-02 ppm1 10.116 ppm2 0.838 CV 1 ASSI { 694} (( segid "KH " and resid 109 and name HN )) (( segid "KH " and resid 108 and name HA )) 2.400 0.700 0.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.40134E-02 ppm1 8.816 ppm2 6.050 CV 1 ASSI { 695} (( segid "KH " and resid 109 and name HN )) (( segid "KH " and resid 155 and name HA )) 3.500 1.500 1.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 8.816 ppm2 5.146 CV 1 ASSI { 696} (( segid "KH " and resid 109 and name HN )) (( segid "KH " and resid 108 and name HB3 )) 3.300 1.400 1.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.96769E-03 ppm1 8.809 ppm2 2.981 CV 1 ASSI { 697} (( segid "KH " and resid 109 and name HN )) (( segid "KH " and resid 109 and name HB )) 3.700 1.700 1.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.92593E-03 ppm1 8.820 ppm2 1.813 CV 1 ASSI { 698} (( segid "KH " and resid 109 and name HN )) (( segid "KH " and resid 109 and name HG12)) 2.900 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 8.820 ppm2 1.310 CV 1 ASSI { 699} (( segid "KH " and resid 109 and name HN )) (( segid "KH " and resid 109 and name HG13)) 3.500 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.11932E-02 ppm1 8.820 ppm2 1.030 CV 1 ASSI { 701} (( segid "KH " and resid 109 and name HN )) ( segid "KH " and resid 109 and name HD1%) 3.900 1.900 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 8.820 ppm2 0.678 CV 1 ASSI { 704} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 109 and name HN )) 3.600 1.600 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 8.560 ppm2 8.825 CV 1 ASSI { 705} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 111 and name HN )) 3.900 1.900 1.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.96158E-03 ppm1 8.560 ppm2 8.940 CV 1 ASSI { 706} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 110 and name HA )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.15713E-02 ppm1 8.563 ppm2 5.212 CV 1 ASSI { 707} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 109 and name HA )) 2.600 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.22015E-02 ppm1 8.563 ppm2 4.637 CV 1 ASSI { 709} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 110 and name HB2 )) 2.500 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.27951E-02 ppm1 8.558 ppm2 1.618 CV 1 ASSI { 710} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 110 and name HB3 )) 3.500 1.500 1.500 peak 710 spectrum 1 weight 0.10000E+01 volume 0.21203E-02 ppm1 8.558 ppm2 1.524 CV 1 ASSI { 711} (( segid "KH " and resid 110 and name HN )) (( segid "KH " and resid 110 and name HG3 )) 3.900 2.000 2.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.16169E-02 ppm1 8.558 ppm2 1.329 CV 1 ASSI { 717} (( segid "KH " and resid 111 and name HN )) (( segid "KH " and resid 110 and name HA )) 2.300 0.600 0.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.50602E-02 ppm1 8.925 ppm2 5.213 CV 1 ASSI { 718} (( segid "KH " and resid 111 and name HN )) (( segid "KH " and resid 111 and name HA )) 3.000 1.100 1.100 peak 718 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 8.925 ppm2 4.855 CV 1 ASSI { 719} (( segid "KH " and resid 111 and name HN )) ( segid "KH " and resid 111 and name HG1%) 2.800 1.000 1.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.21281E-02 ppm1 8.925 ppm2 0.729 CV 1 ASSI { 720} (( segid "KH " and resid 111 and name HN )) ( segid "KH " and resid 111 and name HG2%) 2.700 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.36136E-02 ppm1 8.925 ppm2 0.532 CV 1 ASSI { 722} (( segid "KH " and resid 111 and name HN )) (( segid "KH " and resid 110 and name HB3 )) 3.300 1.400 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.14081E-02 ppm1 8.925 ppm2 1.511 CV 1 ASSI { 723} (( segid "KH " and resid 111 and name HN )) (( segid "KH " and resid 110 and name HB2 )) 3.800 1.800 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 8.925 ppm2 1.640 CV 1 ASSI { 727} (( segid "KH " and resid 113 and name HN )) (( segid "KH " and resid 113 and name HA )) 3.200 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.10184E-02 ppm1 9.266 ppm2 3.908 CV 1 ASSI { 728} (( segid "KH " and resid 113 and name HN )) ( segid "KH " and resid 113 and name HB% ) 2.900 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.18496E-02 ppm1 9.266 ppm2 1.333 CV 1 ASSI { 729} (( segid "KH " and resid 113 and name HN )) (( segid "KH " and resid 112 and name HA )) 2.800 1.000 1.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.17483E-02 ppm1 9.266 ppm2 4.469 CV 1 ASSI { 732} (( segid "KH " and resid 115 and name HN )) (( segid "KH " and resid 115 and name HA )) 2.900 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.15690E-02 ppm1 7.737 ppm2 4.486 CV 1 ASSI { 733} (( segid "KH " and resid 115 and name HN )) (( segid "KH " and resid 114 and name HA )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.40613E-03 ppm1 7.737 ppm2 4.177 CV 1 ASSI { 734} (( segid "KH " and resid 115 and name HN )) (( segid "KH " and resid 114 and name HB2 )) 3.400 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11130E-02 ppm1 7.737 ppm2 3.905 CV 1 OR { 734} (( segid "KH " and resid 115 and name HN )) (( segid "KH " and resid 114 and name HB3 )) ASSI { 737} (( segid "KH " and resid 116 and name HN )) (( segid "KH " and resid 115 and name HN )) 2.400 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.41855E-02 ppm1 7.427 ppm2 7.738 CV 1 ASSI { 738} (( segid "KH " and resid 116 and name HN )) (( segid "KH " and resid 115 and name HA )) 3.100 1.200 1.200 peak 738 spectrum 1 weight 0.10000E+01 volume 0.17411E-02 ppm1 7.428 ppm2 4.483 CV 1 ASSI { 740} (( segid "KH " and resid 116 and name HN )) (( segid "KH " and resid 116 and name HA )) 2.700 0.900 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.28018E-02 ppm1 7.428 ppm2 3.587 CV 1 ASSI { 741} (( segid "KH " and resid 116 and name HN )) ( segid "KH " and resid 115 and name HB% ) 2.600 0.800 0.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.34665E-02 ppm1 7.428 ppm2 1.333 CV 1 ASSI { 742} (( segid "KH " and resid 116 and name HN )) ( segid "KH " and resid 116 and name HB% ) 2.400 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.58073E-02 ppm1 7.428 ppm2 1.198 CV 1 ASSI { 744} (( segid "KH " and resid 116 and name HN )) ( segid "KH " and resid 111 and name HG2%) 2.900 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.23224E-02 ppm1 7.428 ppm2 0.535 CV 1 ASSI { 747} (( segid "KH " and resid 117 and name HN )) (( segid "KH " and resid 117 and name HA2 )) 3.200 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 8.497 ppm2 3.817 CV 1 OR { 747} (( segid "KH " and resid 117 and name HN )) (( segid "KH " and resid 117 and name HA3 )) ASSI { 749} (( segid "KH " and resid 118 and name HN )) (( segid "KH " and resid 117 and name HN )) 2.800 1.000 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 7.524 ppm2 8.499 CV 1 ASSI { 751} (( segid "KH " and resid 119 and name HN )) (( segid "KH " and resid 118 and name HN )) 3.500 1.500 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.47694E-03 ppm1 7.262 ppm2 7.527 CV 1 ASSI { 752} (( segid "KH " and resid 119 and name HN )) ( segid "KH " and resid 119 and name HG1%) 3.200 1.300 1.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.95656E-03 ppm1 7.257 ppm2 0.784 CV 1 ASSI { 754} (( segid "KH " and resid 120 and name HN )) (( segid "KH " and resid 120 and name HB )) 3.300 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.85634E-03 ppm1 7.279 ppm2 1.715 CV 1 ASSI { 755} (( segid "KH " and resid 120 and name HN )) ( segid "KH " and resid 120 and name HG2%) 3.700 1.700 1.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.92761E-03 ppm1 7.279 ppm2 0.980 CV 1 ASSI { 756} (( segid "KH " and resid 120 and name HN )) (( segid "KH " and resid 117 and name HA3 )) 3.300 1.300 1.300 peak 756 spectrum 1 weight 0.10000E+01 volume 0.60356E-03 ppm1 7.279 ppm2 3.811 CV 1 ASSI { 758} (( segid "KH " and resid 121 and name HN )) (( segid "KH " and resid 120 and name HN )) 3.000 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 7.876 ppm2 7.288 CV 1 ASSI { 759} (( segid "KH " and resid 121 and name HN )) (( segid "KH " and resid 121 and name HA3 )) 2.900 1.100 1.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 7.879 ppm2 4.113 CV 1 ASSI { 761} (( segid "KH " and resid 121 and name HN )) (( segid "KH " and resid 120 and name HB )) 3.300 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.81348E-03 ppm1 7.878 ppm2 1.707 CV 1 ASSI { 762} (( segid "KH " and resid 121 and name HN )) ( segid "KH " and resid 120 and name HG2%) 3.700 1.700 1.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.86916E-03 ppm1 7.878 ppm2 0.959 CV 1 ASSI { 765} (( segid "KH " and resid 136 and name HN )) ( segid "KH " and resid 136 and name HB% ) 2.400 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.56067E-02 ppm1 8.008 ppm2 0.937 CV 1 ASSI { 766} (( segid "KH " and resid 136 and name HN )) ( segid "KH " and resid 135 and name HB% ) 3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 8.008 ppm2 1.531 CV 1 ASSI { 767} (( segid "KH " and resid 136 and name HN )) ( segid "KH " and resid 162 and name HB% ) 2.800 1.000 1.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.29989E-02 ppm1 8.008 ppm2 1.013 CV 1 ASSI { 769} (( segid "KH " and resid 162 and name HN )) (( segid "KH " and resid 162 and name HA )) 3.200 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.10501E-02 ppm1 7.483 ppm2 4.046 CV 1 ASSI { 770} (( segid "KH " and resid 162 and name HN )) (( segid "KH " and resid 161 and name HB3 )) 3.700 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.50797E-03 ppm1 7.483 ppm2 2.974 CV 1 OR { 770} (( segid "KH " and resid 162 and name HN )) (( segid "KH " and resid 161 and name HB2 )) ASSI { 771} (( segid "KH " and resid 162 and name HN )) ( segid "KH " and resid 162 and name HB% ) 2.900 1.000 1.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.19382E-02 ppm1 7.480 ppm2 1.007 CV 1 ASSI { 772} (( segid "KH " and resid 136 and name HN )) ( segid "KH " and resid 134 and name HG2%) 3.700 1.700 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 8.008 ppm2 1.086 CV 1 ASSI { 773} (( segid "KH " and resid 136 and name HN )) (( segid "KH " and resid 134 and name HB )) 2.800 1.000 1.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.30595E-02 ppm1 8.007 ppm2 4.122 CV 1 ASSI { 774} (( segid "KH " and resid 136 and name HN )) (( segid "KH " and resid 136 and name HA )) 2.300 0.700 0.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.82406E-02 ppm1 8.007 ppm2 4.593 CV 1 ASSI { 775} (( segid "KH " and resid 136 and name HN )) (( segid "KH " and resid 135 and name HN )) 2.900 1.100 1.100 peak 775 spectrum 1 weight 0.10000E+01 volume 0.16982E-02 ppm1 8.008 ppm2 8.117 CV 1 ASSI { 777} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 157 and name HN )) 3.200 1.300 1.300 peak 777 spectrum 1 weight 0.10000E+01 volume 0.78060E-03 ppm1 8.426 ppm2 9.457 CV 1 ASSI { 778} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 137 and name HA )) 2.200 2.200 3.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.95044E-02 ppm1 8.427 ppm2 4.391 CV 1 ASSI { 779} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 136 and name HA )) 2.500 0.800 0.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.42460E-02 ppm1 8.427 ppm2 4.534 CV 1 ASSI { 780} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 131 and name HA )) 3.000 3.000 3.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.29738E-02 ppm1 8.427 ppm2 4.187 CV 1 ASSI { 781} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 137 and name HB2 )) 2.600 0.800 0.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.44879E-02 ppm1 8.429 ppm2 2.255 CV 1 ASSI { 782} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 137 and name HB3 )) 2.100 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.78229E-02 ppm1 8.429 ppm2 1.933 CV 1 ASSI { 784} (( segid "KH " and resid 137 and name HN )) (( segid "KH " and resid 156 and name HB )) 4.000 2.000 2.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 8.429 ppm2 1.603 CV 1 ASSI { 785} (( segid "KH " and resid 137 and name HN )) ( segid "KH " and resid 166 and name HB% ) 4.100 2.100 1.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.14243E-02 ppm1 8.429 ppm2 1.349 CV 1 ASSI { 798} (( segid "KH " and resid 139 and name HN )) (( segid "KH " and resid 138 and name HN )) 3.000 3.000 3.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.43726E-02 ppm1 9.058 ppm2 4.873 CV 1 ASSI { 800} (( segid "KH " and resid 139 and name HN )) (( segid "KH " and resid 139 and name HB )) 2.800 1.000 1.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.24799E-02 ppm1 9.053 ppm2 1.760 CV 1 ASSI { 802} (( segid "KH " and resid 139 and name HN )) ( segid "KH " and resid 154 and name HG2%) 2.800 2.800 3.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.30345E-02 ppm1 9.053 ppm2 0.626 CV 1 ASSI { 806} (( segid "KH " and resid 140 and name HN )) (( segid "KH " and resid 139 and name HA )) 3.100 1.200 1.200 peak 806 spectrum 1 weight 0.10000E+01 volume 0.10005E-02 ppm1 8.723 ppm2 4.252 CV 1 ASSI { 807} (( segid "KH " and resid 140 and name HN )) (( segid "KH " and resid 140 and name HB )) 3.100 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.12650E-02 ppm1 8.726 ppm2 2.020 CV 1 ASSI { 808} (( segid "KH " and resid 140 and name HN )) ( segid "KH " and resid 140 and name HG1%) 3.000 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.16982E-02 ppm1 8.726 ppm2 0.765 CV 1 ASSI { 811} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 141 and name HA )) 2.300 0.700 0.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.53536E-02 ppm1 8.494 ppm2 4.212 CV 1 ASSI { 812} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 142 and name HA )) 2.700 0.900 0.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.30312E-02 ppm1 8.494 ppm2 4.319 CV 1 ASSI { 815} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 142 and name HB3 )) 2.500 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.46881E-02 ppm1 8.494 ppm2 1.693 CV 1 OR { 815} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 142 and name HB2 )) ASSI { 816} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 141 and name HG2 )) 3.600 1.600 1.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.23725E-02 ppm1 8.494 ppm2 1.822 CV 1 OR { 816} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 141 and name HG3 )) ASSI { 817} (( segid "KH " and resid 142 and name HN )) (( segid "KH " and resid 141 and name HB2 )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.19410E-02 ppm1 8.494 ppm2 2.307 CV 1 ASSI { 821} (( segid "KH " and resid 145 and name HN )) (( segid "KH " and resid 145 and name HA )) 3.300 1.400 1.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.72995E-03 ppm1 8.698 ppm2 4.603 CV 1 ASSI { 822} (( segid "KH " and resid 145 and name HN )) (( segid "KH " and resid 144 and name HA )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.37500E-02 ppm1 8.698 ppm2 4.357 CV 1 ASSI { 824} (( segid "KH " and resid 145 and name HN )) (( segid "KH " and resid 144 and name HG2 )) 3.700 1.700 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.84243E-03 ppm1 8.695 ppm2 2.099 CV 1 OR { 824} (( segid "KH " and resid 145 and name HN )) (( segid "KH " and resid 144 and name HG3 )) ASSI { 828} (( segid "KH " and resid 147 and name HN )) (( segid "KH " and resid 147 and name HA )) 2.800 1.000 1.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.24265E-02 ppm1 8.482 ppm2 4.550 CV 1 ASSI { 829} (( segid "KH " and resid 147 and name HN )) (( segid "KH " and resid 147 and name HB2 )) 3.500 1.600 1.600 peak 829 spectrum 1 weight 0.10000E+01 volume 0.71660E-03 ppm1 8.482 ppm2 3.225 CV 1 ASSI { 830} (( segid "KH " and resid 147 and name HN )) (( segid "KH " and resid 147 and name HB3 )) 3.000 1.100 1.100 peak 830 spectrum 1 weight 0.10000E+01 volume 0.18496E-02 ppm1 8.482 ppm2 2.748 CV 1 ASSI { 831} (( segid "KH " and resid 147 and name HN )) (( segid "KH " and resid 146 and name HA )) 2.400 0.700 0.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 8.482 ppm2 4.317 CV 1 ASSI { 833} (( segid "KH " and resid 148 and name HN )) (( segid "KH " and resid 147 and name HA )) 3.500 1.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.67094E-03 ppm1 9.162 ppm2 4.544 CV 1 ASSI { 834} (( segid "KH " and resid 148 and name HN )) (( segid "KH " and resid 147 and name HB2 )) 3.700 1.700 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.68987E-03 ppm1 9.162 ppm2 3.219 CV 1 ASSI { 835} (( segid "KH " and resid 148 and name HN )) (( segid "KH " and resid 147 and name HB3 )) 3.600 1.600 1.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.80734E-03 ppm1 9.162 ppm2 2.744 CV 1 ASSI { 837} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 150 and name HN )) 2.300 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 8.352 ppm2 8.504 CV 1 ASSI { 838} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 148 and name HN )) 3.100 1.200 1.200 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11075E-02 ppm1 8.352 ppm2 9.156 CV 1 ASSI { 839} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 149 and name HD22)) 4.100 2.100 1.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.89196E-03 ppm1 8.352 ppm2 6.835 CV 1 ASSI { 840} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 149 and name HA )) 2.600 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.41803E-02 ppm1 8.352 ppm2 4.915 CV 1 ASSI { 842} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 148 and name HA )) 3.100 1.200 1.200 peak 842 spectrum 1 weight 0.10000E+01 volume 0.18018E-02 ppm1 8.352 ppm2 4.145 CV 1 ASSI { 843} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 150 and name HA )) 4.100 2.100 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.15991E-02 ppm1 8.352 ppm2 3.758 CV 1 ASSI { 844} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 149 and name HB2 )) 2.800 1.000 1.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.30061E-02 ppm1 8.352 ppm2 2.897 CV 1 ASSI { 845} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 149 and name HB3 )) 2.600 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.34715E-02 ppm1 8.352 ppm2 2.597 CV 1 ASSI { 846} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 148 and name HG2 )) 3.000 1.100 1.100 peak 846 spectrum 1 weight 0.10000E+01 volume 0.29632E-02 ppm1 8.352 ppm2 2.206 CV 1 OR { 846} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 148 and name HG3 )) ASSI { 847} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 148 and name HB3 )) 3.000 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.14137E-02 ppm1 8.352 ppm2 2.036 CV 1 OR { 847} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 148 and name HB2 )) ASSI { 848} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 147 and name HB2 )) 4.000 2.000 2.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.76782E-03 ppm1 8.352 ppm2 3.244 CV 1 ASSI { 849} (( segid "KH " and resid 149 and name HN )) (( segid "KH " and resid 151 and name HB3 )) 3.800 1.800 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.80846E-03 ppm1 8.352 ppm2 1.772 CV 1 ASSI { 852} (( segid "KH " and resid 150 and name HN )) (( segid "KH " and resid 150 and name HA )) 2.700 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.22333E-02 ppm1 8.529 ppm2 3.754 CV 1 ASSI { 855} (( segid "KH " and resid 150 and name HN )) (( segid "KH " and resid 150 and name HB2 )) 3.500 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.98329E-03 ppm1 8.529 ppm2 2.342 CV 1 OR { 855} (( segid "KH " and resid 150 and name HN )) (( segid "KH " and resid 150 and name HB3 )) ASSI { 858} (( segid "KH " and resid 151 and name HN )) (( segid "KH " and resid 151 and name HA )) 3.100 1.200 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.12956E-02 ppm1 8.432 ppm2 4.997 CV 1 ASSI { 859} (( segid "KH " and resid 151 and name HN )) (( segid "KH " and resid 150 and name HA )) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.28591E-02 ppm1 8.432 ppm2 3.757 CV 1 ASSI { 860} (( segid "KH " and resid 151 and name HN )) (( segid "KH " and resid 151 and name HB3 )) 2.600 0.800 0.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.38363E-02 ppm1 8.431 ppm2 1.766 CV 1 ASSI { 861} (( segid "KH " and resid 151 and name HN )) (( segid "KH " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.42311E-02 ppm1 8.431 ppm2 2.245 CV 1 ASSI { 863} (( segid "KH " and resid 152 and name HN )) (( segid "KH " and resid 151 and name HA )) 2.400 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.40385E-02 ppm1 8.993 ppm2 4.999 CV 1 ASSI { 864} (( segid "KH " and resid 152 and name HN )) (( segid "KH " and resid 152 and name HA )) 2.900 1.000 1.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.17917E-02 ppm1 8.993 ppm2 4.563 CV 1 ASSI { 865} (( segid "KH " and resid 152 and name HN )) (( segid "KH " and resid 151 and name HB2 )) 3.500 1.500 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.20874E-02 ppm1 8.994 ppm2 2.220 CV 1 ASSI { 866} (( segid "KH " and resid 152 and name HN )) (( segid "KH " and resid 152 and name HB )) 3.200 1.300 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 8.994 ppm2 1.962 CV 1 ASSI { 867} (( segid "KH " and resid 152 and name HN )) (( segid "KH " and resid 151 and name HB3 )) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.32439E-02 ppm1 8.994 ppm2 1.774 CV 1 ASSI { 868} (( segid "KH " and resid 152 and name HN )) ( segid "KH " and resid 152 and name HG1%) 2.600 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.46452E-02 ppm1 8.994 ppm2 0.526 CV 1 ASSI { 870} (( segid "KH " and resid 153 and name HN )) (( segid "KH " and resid 152 and name HA )) 3.500 1.600 1.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.60188E-03 ppm1 8.911 ppm2 4.564 CV 1 ASSI { 871} (( segid "KH " and resid 153 and name HN )) (( segid "KH " and resid 153 and name HB )) 3.000 1.100 1.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.12255E-02 ppm1 8.913 ppm2 1.518 CV 1 ASSI { 872} (( segid "KH " and resid 153 and name HN )) (( segid "KH " and resid 153 and name HG13)) 3.200 1.200 1.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.98051E-03 ppm1 8.913 ppm2 0.938 CV 1 ASSI { 873} (( segid "KH " and resid 83 and name HN )) ( segid "KH " and resid 48 and name HD2%) 3.500 1.500 1.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 8.913 ppm2 0.615 CV 1 ASSI { 876} (( segid "KH " and resid 154 and name HN )) ( segid "KH " and resid 154 and name HG1%) 2.900 1.100 1.100 peak 876 spectrum 1 weight 0.10000E+01 volume 0.20874E-02 ppm1 8.566 ppm2 0.820 CV 1 ASSI { 878} (( segid "KH " and resid 154 and name HN )) (( segid "KH " and resid 154 and name HB )) 2.600 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.30094E-02 ppm1 8.566 ppm2 1.827 CV 1 ASSI { 880} (( segid "KH " and resid 155 and name HN )) (( segid "KH " and resid 154 and name HA )) 2.600 0.800 0.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.28162E-02 ppm1 8.936 ppm2 4.202 CV 1 ASSI { 881} (( segid "KH " and resid 155 and name HN )) (( segid "KH " and resid 155 and name HB2 )) 3.100 1.200 1.200 peak 881 spectrum 1 weight 0.10000E+01 volume 0.87917E-03 ppm1 8.939 ppm2 1.655 CV 1 ASSI { 882} (( segid "KH " and resid 155 and name HN )) (( segid "KH " and resid 155 and name HB3 )) 3.700 1.700 1.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 8.939 ppm2 1.481 CV 1 ASSI { 883} (( segid "KH " and resid 155 and name HN )) (( segid "KH " and resid 155 and name HG2 )) 3.500 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 8.939 ppm2 1.041 CV 1 ASSI { 884} (( segid "KH " and resid 155 and name HN )) ( segid "KH " and resid 154 and name HG2%) 3.200 1.300 1.300 peak 884 spectrum 1 weight 0.10000E+01 volume 0.21002E-02 ppm1 8.939 ppm2 0.656 CV 1 ASSI { 885} (( segid "KH " and resid 155 and name HN )) ( segid "KH " and resid 139 and name HG1%) 2.800 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.26626E-02 ppm1 8.939 ppm2 0.766 CV 1 ASSI { 887} (( segid "KH " and resid 156 and name HN )) (( segid "KH " and resid 108 and name HA )) 3.400 1.500 1.500 peak 887 spectrum 1 weight 0.10000E+01 volume 0.10790E-02 ppm1 9.523 ppm2 6.051 CV 1 ASSI { 888} (( segid "KH " and resid 156 and name HN )) (( segid "KH " and resid 155 and name HA )) 2.400 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.38006E-02 ppm1 9.523 ppm2 5.158 CV 1 ASSI { 889} (( segid "KH " and resid 156 and name HN )) (( segid "KH " and resid 156 and name HB )) 2.700 0.900 0.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.23764E-02 ppm1 9.525 ppm2 1.626 CV 1 ASSI { 890} (( segid "KH " and resid 156 and name HN )) (( segid "KH " and resid 156 and name HG13)) 2.900 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.17511E-02 ppm1 9.525 ppm2 1.498 CV 1 OR { 890} (( segid "KH " and resid 156 and name HN )) (( segid "KH " and resid 156 and name HG12)) ASSI { 891} (( segid "KH " and resid 156 and name HN )) ( segid "KH " and resid 156 and name HG2%) 3.300 1.400 1.400 peak 891 spectrum 1 weight 0.10000E+01 volume 0.23652E-02 ppm1 9.525 ppm2 0.774 CV 1 ASSI { 892} (( segid "KH " and resid 156 and name HN )) ( segid "KH " and resid 156 and name HD1%) 3.500 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.22762E-02 ppm1 9.525 ppm2 0.677 CV 1 ASSI { 896} (( segid "KH " and resid 157 and name HN )) (( segid "KH " and resid 157 and name HB )) 3.400 1.400 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.56738E-03 ppm1 9.441 ppm2 1.816 CV 1 ASSI { 898} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 105 and name HN )) 3.100 1.200 1.200 peak 898 spectrum 1 weight 0.10000E+01 volume 0.12361E-02 ppm1 8.226 ppm2 7.483 CV 1 ASSI { 899} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 157 and name HA )) 2.400 0.700 0.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.50318E-02 ppm1 8.224 ppm2 5.089 CV 1 ASSI { 900} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 158 and name HA2 )) 2.900 1.000 1.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.21609E-02 ppm1 8.224 ppm2 4.372 CV 1 ASSI { 901} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 158 and name HA3 )) 2.800 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.19460E-02 ppm1 8.224 ppm2 3.959 CV 1 ASSI { 902} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 106 and name HA )) 3.400 1.500 1.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 8.224 ppm2 4.916 CV 1 ASSI { 903} (( segid "KH " and resid 158 and name HN )) ( segid "KH " and resid 157 and name HG2%) 2.600 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.41855E-02 ppm1 8.223 ppm2 0.755 CV 1 ASSI { 905} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 104 and name HB3 )) 2.900 1.100 1.100 peak 905 spectrum 1 weight 0.10000E+01 volume 0.16626E-02 ppm1 8.223 ppm2 1.444 CV 1 ASSI { 906} (( segid "KH " and resid 158 and name HN )) (( segid "KH " and resid 157 and name HB )) 3.500 1.600 1.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 8.223 ppm2 1.830 CV 1 ASSI { 911} (( segid "KH " and resid 159 and name HN )) (( segid "KH " and resid 158 and name HA2 )) 2.600 0.800 0.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.977 ppm2 4.374 CV 1 ASSI { 912} (( segid "KH " and resid 159 and name HN )) (( segid "KH " and resid 159 and name HA )) 3.300 1.300 1.300 peak 912 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 7.980 ppm2 5.527 CV 1 ASSI { 914} (( segid "KH " and resid 159 and name HN )) (( segid "KH " and resid 158 and name HA3 )) 3.000 1.200 1.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.20145E-02 ppm1 7.977 ppm2 3.958 CV 1 ASSI { 915} (( segid "KH " and resid 159 and name HN )) (( segid "KH " and resid 159 and name HB2 )) 2.900 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15941E-02 ppm1 7.977 ppm2 3.495 CV 1 ASSI { 916} (( segid "KH " and resid 159 and name HN )) (( segid "KH " and resid 159 and name HB3 )) 3.200 1.300 1.300 peak 916 spectrum 1 weight 0.10000E+01 volume 0.16626E-02 ppm1 7.977 ppm2 3.160 CV 1 ASSI { 919} (( segid "KH " and resid 159 and name HN )) ( segid "KH " and resid 162 and name HB% ) 2.800 1.000 1.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.19081E-02 ppm1 7.980 ppm2 0.995 CV 1 ASSI { 920} (( segid "KH " and resid 159 and name HN )) ( segid "KH " and resid 135 and name HB% ) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.21559E-02 ppm1 7.980 ppm2 1.528 CV 1 ASSI { 921} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 169 and name HB3 )) 2.200 0.600 0.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.60858E-02 ppm1 7.980 ppm2 1.840 CV 1 OR { 921} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 169 and name HB2 )) ASSI { 923} (( segid "KH " and resid 160 and name HN )) (( segid "KH " and resid 159 and name HA )) 2.800 1.000 1.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.19181E-02 ppm1 8.905 ppm2 5.528 CV 1 ASSI { 924} (( segid "KH " and resid 160 and name HN )) ( segid "KH " and resid 160 and name HD% ) 3.100 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.10173E-02 ppm1 8.905 ppm2 6.322 CV 1 ASSI { 925} (( segid "KH " and resid 160 and name HN )) ( segid "KH " and resid 160 and name HE% ) 4.200 2.200 1.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.84130E-03 ppm1 8.905 ppm2 7.056 CV 1 ASSI { 926} (( segid "KH " and resid 160 and name HN )) ( segid "KH " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.67094E-03 ppm1 8.905 ppm2 7.379 CV 1 ASSI { 927} (( segid "KH " and resid 160 and name HN )) (( segid "KH " and resid 159 and name HB2 )) 3.000 1.100 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.18574E-02 ppm1 8.907 ppm2 3.472 CV 1 ASSI { 928} (( segid "KH " and resid 160 and name HN )) (( segid "KH " and resid 160 and name HA )) 2.800 0.900 0.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.24766E-02 ppm1 8.907 ppm2 3.165 CV 1 ASSI { 929} (( segid "KH " and resid 160 and name HN )) (( segid "KH " and resid 160 and name HB2 )) 3.800 1.800 1.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.10351E-02 ppm1 8.907 ppm2 2.335 CV 1 ASSI { 930} (( segid "KH " and resid 160 and name HN )) (( segid "KH " and resid 160 and name HB3 )) 2.900 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 8.907 ppm2 2.127 CV 1 ASSI { 931} (( segid "KH " and resid 160 and name HN )) (( segid "KH " and resid 159 and name HB3 )) 2.700 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.22834E-02 ppm1 8.907 ppm2 3.189 CV 1 ASSI { 934} (( segid "KH " and resid 161 and name HN )) (( segid "KH " and resid 161 and name HA )) 3.300 1.300 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 8.541 ppm2 3.442 CV 1 ASSI { 935} (( segid "KH " and resid 161 and name HN )) (( segid "KH " and resid 160 and name HA )) 3.300 1.400 1.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 8.542 ppm2 3.180 CV 1 ASSI { 936} (( segid "KH " and resid 161 and name HN )) (( segid "KH " and resid 161 and name HB3 )) 2.900 1.100 1.100 peak 936 spectrum 1 weight 0.10000E+01 volume 0.20674E-02 ppm1 8.542 ppm2 2.973 CV 1 OR { 936} (( segid "KH " and resid 161 and name HN )) (( segid "KH " and resid 161 and name HB2 )) ASSI { 937} (( segid "KH " and resid 161 and name HN )) (( segid "KH " and resid 160 and name HB2 )) 3.300 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 8.542 ppm2 2.335 CV 1 ASSI { 939} (( segid "KH " and resid 163 and name HN )) (( segid "KH " and resid 163 and name HA )) 2.800 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.24087E-02 ppm1 8.382 ppm2 3.828 CV 1 ASSI { 940} (( segid "KH " and resid 163 and name HN )) (( segid "KH " and resid 163 and name HB2 )) 3.000 1.100 1.100 peak 940 spectrum 1 weight 0.10000E+01 volume 0.14905E-02 ppm1 8.382 ppm2 3.697 CV 1 OR { 940} (( segid "KH " and resid 163 and name HN )) (( segid "KH " and resid 163 and name HB3 )) ASSI { 941} (( segid "KH " and resid 163 and name HN )) ( segid "KH " and resid 162 and name HB% ) 2.900 1.000 1.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 8.382 ppm2 0.998 CV 1 ASSI { 942} (( segid "KH " and resid 162 and name HN )) (( segid "KH " and resid 163 and name HN )) 3.400 1.500 1.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.59910E-03 ppm1 7.483 ppm2 8.378 CV 1 ASSI { 946} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 163 and name HA )) 2.900 1.100 1.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 8.245 ppm2 3.839 CV 1 ASSI { 947} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 164 and name HA )) 2.800 1.000 1.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.21609E-02 ppm1 8.245 ppm2 3.604 CV 1 ASSI { 948} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 161 and name HA )) 3.300 1.400 1.400 peak 948 spectrum 1 weight 0.10000E+01 volume 0.94876E-03 ppm1 8.246 ppm2 3.440 CV 1 ASSI { 949} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 164 and name HG2 )) 2.600 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 8.245 ppm2 1.871 CV 1 OR { 949} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 164 and name HG3 )) ASSI { 950} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 164 and name HB2 )) 3.000 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.16954E-02 ppm1 8.245 ppm2 1.622 CV 1 ASSI { 951} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 164 and name HB3 )) 2.900 1.100 1.100 peak 951 spectrum 1 weight 0.10000E+01 volume 0.22583E-02 ppm1 8.245 ppm2 1.469 CV 1 ASSI { 955} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 163 and name HN )) 2.900 1.000 1.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.17789E-02 ppm1 8.246 ppm2 8.385 CV 1 ASSI { 956} (( segid "KH " and resid 164 and name HN )) (( segid "KH " and resid 165 and name HN )) 2.800 1.000 1.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.19710E-02 ppm1 8.246 ppm2 8.044 CV 1 ASSI { 958} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 166 and name HN )) 2.600 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.34870E-02 ppm1 8.044 ppm2 8.194 CV 1 ASSI { 959} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 165 and name HA )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.26230E-02 ppm1 8.045 ppm2 4.053 CV 1 ASSI { 960} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 164 and name HA )) 3.400 1.500 1.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.84018E-03 ppm1 8.045 ppm2 3.573 CV 1 ASSI { 961} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 165 and name HG2 )) 3.400 1.500 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 8.045 ppm2 2.535 CV 1 ASSI { 962} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 165 and name HG3 )) 3.200 1.200 1.200 peak 962 spectrum 1 weight 0.10000E+01 volume 0.20752E-02 ppm1 8.045 ppm2 2.257 CV 1 ASSI { 963} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 165 and name HB2 )) 2.700 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.23652E-02 ppm1 8.045 ppm2 2.122 CV 1 OR { 963} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 165 and name HB3 )) ASSI { 964} (( segid "KH " and resid 165 and name HN )) (( segid "KH " and resid 164 and name HB2 )) 2.900 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.17205E-02 ppm1 8.045 ppm2 1.650 CV 1 ASSI { 965} (( segid "KH " and resid 165 and name HN )) ( segid "KH " and resid 166 and name HB% ) 4.000 2.000 2.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.96270E-03 ppm1 8.045 ppm2 1.296 CV 1 ASSI { 966} (( segid "KH " and resid 165 and name HN )) ( segid "KH " and resid 134 and name HG2%) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.89087E-03 ppm1 8.045 ppm2 1.068 CV 1 ASSI { 967} (( segid "KH " and resid 165 and name HN )) ( segid "KH " and resid 156 and name HG2%) 3.900 1.900 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.94767E-03 ppm1 8.045 ppm2 0.799 CV 1 ASSI { 969} (( segid "KH " and resid 166 and name HN )) (( segid "KH " and resid 167 and name HN )) 3.200 1.300 1.300 peak 969 spectrum 1 weight 0.10000E+01 volume 0.76557E-03 ppm1 8.193 ppm2 8.361 CV 1 ASSI { 970} (( segid "KH " and resid 166 and name HN )) (( segid "KH " and resid 166 and name HA )) 3.200 1.300 1.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.87527E-03 ppm1 8.197 ppm2 3.905 CV 1 ASSI { 971} (( segid "KH " and resid 166 and name HN )) (( segid "KH " and resid 165 and name HB2 )) 3.200 1.300 1.300 peak 971 spectrum 1 weight 0.10000E+01 volume 0.96270E-03 ppm1 8.197 ppm2 2.117 CV 1 OR { 971} (( segid "KH " and resid 166 and name HN )) (( segid "KH " and resid 165 and name HB3 )) ASSI { 977} (( segid "KH " and resid 167 and name HN )) (( segid "KH " and resid 164 and name HA )) 3.100 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.13346E-02 ppm1 8.363 ppm2 3.607 CV 1 ASSI { 978} (( segid "KH " and resid 167 and name HN )) (( segid "KH " and resid 167 and name HG2 )) 4.300 2.300 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.71938E-03 ppm1 8.360 ppm2 2.472 CV 1 ASSI { 979} (( segid "KH " and resid 167 and name HN )) (( segid "KH " and resid 167 and name HB3 )) 3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 8.360 ppm2 1.996 CV 1 ASSI { 980} (( segid "KH " and resid 167 and name HN )) (( segid "KH " and resid 167 and name HG3 )) 2.800 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 8.360 ppm2 1.882 CV 1 ASSI { 981} (( segid "KH " and resid 167 and name HN )) (( segid "KH " and resid 167 and name HB2 )) 3.000 1.100 1.100 peak 981 spectrum 1 weight 0.10000E+01 volume 0.90088E-03 ppm1 8.360 ppm2 2.157 CV 1 ASSI { 986} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 167 and name HA )) 3.100 1.200 1.200 peak 986 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 8.213 ppm2 3.602 CV 1 ASSI { 987} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 168 and name HA )) 2.700 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.23369E-02 ppm1 8.213 ppm2 3.878 CV 1 ASSI { 988} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 168 and name HB2 )) 2.500 0.800 0.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.51173E-02 ppm1 8.213 ppm2 1.880 CV 1 OR { 988} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 168 and name HB3 )) ASSI { 989} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 168 and name HG2 )) 2.600 0.800 0.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.22834E-02 ppm1 8.213 ppm2 1.684 CV 1 OR { 989} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 168 and name HG3 )) ASSI { 990} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 167 and name HN )) 3.000 1.100 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.12973E-02 ppm1 8.214 ppm2 8.351 CV 1 ASSI { 991} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 167 and name HB3 )) 3.200 1.300 1.300 peak 991 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 8.213 ppm2 1.994 CV 1 ASSI { 992} (( segid "KH " and resid 168 and name HN )) (( segid "KH " and resid 167 and name HB2 )) 2.900 1.100 1.100 peak 992 spectrum 1 weight 0.10000E+01 volume 0.98051E-03 ppm1 8.213 ppm2 2.156 CV 1 ASSI { 995} (( segid "KH " and resid 172 and name HN )) (( segid "KH " and resid 172 and name HA )) 2.600 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.48312E-02 ppm1 7.979 ppm2 4.418 CV 1 ASSI { 996} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 169 and name HA )) 2.500 0.800 0.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.38819E-02 ppm1 7.979 ppm2 4.114 CV 1 ASSI { 1000} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 169 and name HE3 )) 3.000 1.200 1.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.39678E-02 ppm1 7.978 ppm2 2.861 CV 1 OR { 1000} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 169 and name HE2 )) ASSI { 1002} (( segid "KH " and resid 172 and name HN )) (( segid "KH " and resid 171 and name HB2 )) 2.600 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.38264E-02 ppm1 7.978 ppm2 2.042 CV 1 OR { 1002} (( segid "KH " and resid 172 and name HN )) (( segid "KH " and resid 171 and name HB3 )) ASSI { 1004} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 168 and name HG3 )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.32188E-02 ppm1 7.978 ppm2 1.693 CV 1 OR { 1004} (( segid "KH " and resid 169 and name HN )) (( segid "KH " and resid 168 and name HG2 )) ASSI { 1011} (( segid "KH " and resid 170 and name HN )) (( segid "KH " and resid 170 and name HA )) 2.700 0.900 0.900 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.17411E-02 ppm1 8.180 ppm2 3.524 CV 1 ASSI { 1012} (( segid "KH " and resid 170 and name HN )) (( segid "KH " and resid 170 and name HB )) 2.200 0.600 0.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.64866E-02 ppm1 8.178 ppm2 1.797 CV 1 ASSI { 1013} (( segid "KH " and resid 170 and name HN )) (( segid "KH " and resid 170 and name HG12)) 3.000 1.200 1.200 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.36086E-02 ppm1 8.180 ppm2 0.792 CV 1 OR { 1013} (( segid "KH " and resid 170 and name HN )) (( segid "KH " and resid 170 and name HG13)) ASSI { 1014} (( segid "KH " and resid 170 and name HN )) ( segid "KH " and resid 170 and name HD1%) 2.300 0.700 0.700 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.35729E-02 ppm1 8.180 ppm2 0.665 CV 1 ASSI { 1017} (( segid "KH " and resid 172 and name HN )) (( segid "KH " and resid 171 and name HA )) 2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.29204E-02 ppm1 7.980 ppm2 3.862 CV 1 ASSI { 1018} (( segid "KH " and resid 172 and name HN )) (( segid "KH " and resid 172 and name HB2 )) 2.400 0.700 0.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.43118E-02 ppm1 7.980 ppm2 2.860 CV 1 ASSI { 1019} (( segid "KH " and resid 172 and name HN )) (( segid "KH " and resid 172 and name HB3 )) 2.900 1.100 1.100 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.33707E-02 ppm1 7.980 ppm2 2.666 CV 1 ASSI { 1023} (( segid "KH " and resid 173 and name HN )) (( segid "KH " and resid 173 and name HA )) 2.800 1.000 1.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.18574E-02 ppm1 7.912 ppm2 3.651 CV 1 ASSI { 1024} (( segid "KH " and resid 173 and name HN )) (( segid "KH " and resid 170 and name HA )) 3.700 1.700 1.700 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 7.912 ppm2 3.517 CV 1 ASSI { 1025} (( segid "KH " and resid 173 and name HN )) (( segid "KH " and resid 172 and name HB2 )) 3.500 1.500 1.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.91202E-03 ppm1 7.912 ppm2 2.852 CV 1 ASSI { 1026} (( segid "KH " and resid 173 and name HN )) (( segid "KH " and resid 172 and name HB3 )) 3.400 1.500 1.500 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.53896E-03 ppm1 7.912 ppm2 2.666 CV 1 ASSI { 1027} (( segid "KH " and resid 173 and name HN )) (( segid "KH " and resid 173 and name HB )) 3.100 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.29989E-02 ppm1 7.912 ppm2 1.949 CV 1 ASSI { 1031} (( segid "KH " and resid 173 and name HN )) ( segid "KH " and resid 173 and name HD1%) 3.600 1.600 1.600 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.35528E-02 ppm1 7.912 ppm2 0.758 CV 1 ASSI { 1034} (( segid "KH " and resid 174 and name HN )) (( segid "KH " and resid 174 and name HB2 )) 2.500 0.800 0.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.29521E-02 ppm1 8.270 ppm2 1.869 CV 1 ASSI { 1035} (( segid "KH " and resid 174 and name HN )) (( segid "KH " and resid 174 and name HB3 )) 3.500 1.500 1.500 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.18931E-02 ppm1 8.270 ppm2 1.503 CV 1 ASSI { 1036} (( segid "KH " and resid 174 and name HN )) ( segid "KH " and resid 174 and name HD1%) 3.400 1.400 1.400 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.92983E-03 ppm1 8.272 ppm2 0.857 CV 1 ASSI { 1038} (( segid "KH " and resid 174 and name HN )) (( segid "KH " and resid 171 and name HA )) 3.000 1.100 1.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.16320E-02 ppm1 8.272 ppm2 3.870 CV 1 ASSI { 1042} (( segid "KH " and resid 175 and name HN )) (( segid "KH " and resid 175 and name HA )) 2.500 0.800 0.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.60690E-02 ppm1 7.940 ppm2 4.121 CV 1 ASSI { 1045} (( segid "KH " and resid 175 and name HN )) ( segid "KH " and resid 175 and name HB% ) 2.200 0.600 0.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.11882E-01 ppm1 7.940 ppm2 1.512 CV 1 ASSI { 1046} (( segid "KH " and resid 175 and name HN )) (( segid "KH " and resid 174 and name HB2 )) 2.400 0.700 0.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.38462E-02 ppm1 7.940 ppm2 1.854 CV 1 ASSI { 1055} (( segid "KH " and resid 144 and name HN )) ( segid "KH " and resid 145 and name HG2%) 3.900 1.900 1.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.73163E-03 ppm1 7.893 ppm2 1.194 CV 1 ASSI { 1057} (( segid "KH " and resid 82 and name HN )) (( segid "KH " and resid 82 and name HB2 )) 3.200 1.300 1.300 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.14137E-02 ppm1 7.705 ppm2 1.859 CV 1 ASSI { 1058} (( segid "KH " and resid 82 and name HN )) (( segid "KH " and resid 82 and name HB3 )) 3.000 1.100 1.100 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.11008E-02 ppm1 7.705 ppm2 1.605 CV 1 ASSI { 1063} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 131 and name HA )) 2.800 1.000 1.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.24727E-02 ppm1 8.132 ppm2 4.214 CV 1 ASSI { 1064} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 131 and name HG2 )) 4.100 2.100 1.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.96158E-03 ppm1 8.136 ppm2 2.664 CV 1 ASSI { 1065} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 131 and name HG3 )) 3.000 1.100 1.100 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10072E-02 ppm1 8.136 ppm2 2.450 CV 1 ASSI { 1066} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 131 and name HB3 )) 2.700 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.30345E-02 ppm1 8.136 ppm2 2.186 CV 1 OR { 1066} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 131 and name HB2 )) ASSI { 1067} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 130 and name HB2 )) 3.100 1.200 1.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.17867E-02 ppm1 8.136 ppm2 1.831 CV 1 ASSI { 1068} (( segid "KH " and resid 131 and name HN )) (( segid "KH " and resid 130 and name HB3 )) 3.000 1.100 1.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 8.136 ppm2 1.415 CV 1 ASSI { 2} (( segid "KH " and resid 77 and name HA )) (( segid "KH " and resid 77 and name HB2 )) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.24841E-02 ppm1 3.990 ppm2 2.201 CV 1 ASSI { 3} (( segid "KH " and resid 77 and name HA )) (( segid "KH " and resid 77 and name HG3 )) 3.300 1.400 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 3.989 ppm2 2.003 CV 1 OR { 3} (( segid "KH " and resid 77 and name HA )) (( segid "KH " and resid 77 and name HG2 )) ASSI { 7} (( segid "KH " and resid 34 and name HA )) ( segid "KH " and resid 29 and name HD1%) 2.900 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 2.895 ppm2 0.334 CV 1 ASSI { 11} (( segid "KH " and resid 55 and name HB2 )) ( segid "KH " and resid 74 and name HG2%) 2.900 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.35125E-02 ppm1 3.817 ppm2 1.103 CV 1 OR { 11} (( segid "KH " and resid 55 and name HB3 )) ( segid "KH " and resid 74 and name HG2%) ASSI { 12} (( segid "KH " and resid 55 and name HB3 )) (( segid "KH " and resid 55 and name HA )) 2.300 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.74254E-02 ppm1 3.825 ppm2 4.776 CV 1 OR { 12} (( segid "KH " and resid 55 and name HB2 )) (( segid "KH " and resid 55 and name HA )) ASSI { 13} (( segid "KH " and resid 30 and name HA )) (( segid "KH " and resid 68 and name HA )) 2.800 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 4.538 ppm2 5.199 CV 1 ASSI { 14} (( segid "KH " and resid 24 and name HA )) (( segid "KH " and resid 74 and name HA )) 2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.30556E-02 ppm1 5.315 ppm2 5.634 CV 1 ASSI { 15} (( segid "KH " and resid 26 and name HA )) (( segid "KH " and resid 72 and name HA )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11946E-02 ppm1 4.544 ppm2 5.661 CV 1 ASSI { 18} (( segid "KH " and resid 49 and name HA )) ( segid "KH " and resid 48 and name HD2%) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.34513E-02 ppm1 4.208 ppm2 0.666 CV 1 ASSI { 24} (( segid "KH " and resid 73 and name HA )) ( segid "KH " and resid 73 and name HG2%) 2.700 0.900 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.36466E-02 ppm1 4.920 ppm2 0.690 CV 1 ASSI { 25} (( segid "KH " and resid 73 and name HA )) ( segid "KH " and resid 73 and name HD1%) 2.900 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.35392E-02 ppm1 4.916 ppm2 0.619 CV 1 ASSI { 29} (( segid "KH " and resid 51 and name HA )) (( segid "KH " and resid 51 and name HB2 )) 2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.23392E-02 ppm1 4.344 ppm2 3.390 CV 1 ASSI { 31} (( segid "KH " and resid 63 and name HA )) (( segid "KH " and resid 64 and name HD3 )) 2.200 0.600 0.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.42011E-02 ppm1 4.810 ppm2 3.781 CV 1 ASSI { 32} (( segid "KH " and resid 68 and name HA )) (( segid "KH " and resid 68 and name HB )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.27161E-02 ppm1 5.212 ppm2 2.048 CV 1 ASSI { 33} (( segid "KH " and resid 68 and name HA )) ( segid "KH " and resid 68 and name HG1%) 2.600 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.62871E-02 ppm1 5.205 ppm2 0.819 CV 1 ASSI { 34} (( segid "KH " and resid 28 and name HA )) (( segid "KH " and resid 28 and name HB3 )) 2.900 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.16807E-02 ppm1 4.933 ppm2 2.481 CV 1 ASSI { 37} (( segid "KH " and resid 28 and name HA )) (( segid "KH " and resid 70 and name HA )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 4.931 ppm2 3.813 CV 1 ASSI { 42} (( segid "KH " and resid 30 and name HD2 )) (( segid "KH " and resid 68 and name HB )) 2.500 2.500 3.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.13002E-01 ppm1 3.696 ppm2 2.031 CV 1 ASSI { 43} (( segid "KH " and resid 30 and name HD2 )) (( segid "KH " and resid 30 and name HG3 )) 2.200 0.600 0.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.94453E-02 ppm1 3.696 ppm2 1.936 CV 1 OR { 43} (( segid "KH " and resid 30 and name HD2 )) (( segid "KH " and resid 30 and name HG2 )) ASSI { 47} (( segid "KH " and resid 54 and name HA )) ( segid "KH " and resid 52 and name HB% ) 3.500 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 4.948 ppm2 1.420 CV 1 ASSI { 55} (( segid "KH " and resid 23 and name HA )) (( segid "KH " and resid 23 and name HB3 )) 2.600 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.34318E-02 ppm1 4.599 ppm2 1.989 CV 1 OR { 55} (( segid "KH " and resid 23 and name HA )) (( segid "KH " and resid 23 and name HB2 )) ASSI { 56} (( segid "KH " and resid 23 and name HA )) (( segid "KH " and resid 23 and name HG3 )) 2.900 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.25329E-02 ppm1 4.600 ppm2 2.210 CV 1 OR { 56} (( segid "KH " and resid 23 and name HA )) (( segid "KH " and resid 23 and name HG2 )) ASSI { 58} (( segid "KH " and resid 24 and name HA )) (( segid "KH " and resid 24 and name HB )) 3.000 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15229E-02 ppm1 5.315 ppm2 3.756 CV 1 ASSI { 61} ( segid "KH " and resid 24 and name HG2%) (( segid "KH " and resid 24 and name HA )) 2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.56569E-02 ppm1 1.046 ppm2 5.304 CV 1 ASSI { 62} ( segid "KH " and resid 24 and name HG2%) (( segid "KH " and resid 24 and name HB )) 2.100 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13055E-01 ppm1 1.044 ppm2 3.760 CV 1 ASSI { 65} (( segid "KH " and resid 25 and name HB )) (( segid "KH " and resid 25 and name HA )) 2.800 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.18006E-02 ppm1 2.000 ppm2 4.441 CV 1 ASSI { 68} (( segid "KH " and resid 27 and name HA )) ( segid "KH " and resid 27 and name HG2%) 2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.49095E-02 ppm1 4.738 ppm2 0.708 CV 1 ASSI { 70} (( segid "KH " and resid 28 and name HB2 )) (( segid "KH " and resid 28 and name HA )) 3.100 1.200 1.200 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 2.975 ppm2 4.934 CV 1 ASSI { 80} (( segid "KH " and resid 32 and name HG2 )) (( segid "KH " and resid 32 and name HA )) 2.700 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.28504E-02 ppm1 2.578 ppm2 4.189 CV 1 ASSI { 81} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 33 and name HA )) 2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.61086E-02 ppm1 0.430 ppm2 3.960 CV 1 ASSI { 83} ( segid "KH " and resid 34 and name HG1%) ( segid "KH " and resid 29 and name HD1%) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.64655E-02 ppm1 0.823 ppm2 0.335 CV 1 ASSI { 84} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 37 and name HA )) 2.300 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.59134E-02 ppm1 0.485 ppm2 3.463 CV 1 ASSI { 88} (( segid "KH " and resid 44 and name HB3 )) (( segid "KH " and resid 44 and name HA )) 3.400 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.66413E-03 ppm1 2.668 ppm2 4.351 CV 1 ASSI { 90} ( segid "KH " and resid 52 and name HB% ) (( segid "KH " and resid 52 and name HA )) 2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.52125E-02 ppm1 1.404 ppm2 3.773 CV 1 ASSI { 91} (( segid "KH " and resid 53 and name HB3 )) (( segid "KH " and resid 53 and name HB2 )) 1.800 0.400 0.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.15027E-01 ppm1 4.018 ppm2 4.138 CV 1 ASSI { 92} ( segid "KH " and resid 54 and name HB% ) (( segid "KH " and resid 54 and name HA )) 2.400 0.700 0.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.69172E-02 ppm1 1.012 ppm2 4.940 CV 1 ASSI { 96} (( segid "KH " and resid 57 and name HB2 )) (( segid "KH " and resid 57 and name HA )) 2.900 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.19812E-02 ppm1 1.831 ppm2 4.753 CV 1 ASSI { 97} (( segid "KH " and resid 57 and name HB3 )) (( segid "KH " and resid 57 and name HA )) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.24718E-02 ppm1 1.735 ppm2 4.753 CV 1 ASSI { 102} (( segid "KH " and resid 62 and name HA )) (( segid "KH " and resid 62 and name HG3 )) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.82901E-02 ppm1 4.044 ppm2 2.357 CV 1 OR { 102} (( segid "KH " and resid 62 and name HA )) (( segid "KH " and resid 62 and name HG2 )) ASSI { 104} (( segid "KH " and resid 63 and name HB )) ( segid "KH " and resid 63 and name HG2%) 2.300 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.81874E-02 ppm1 4.410 ppm2 1.216 CV 1 ASSI { 105} ( segid "KH " and resid 63 and name HG2%) (( segid "KH " and resid 63 and name HA )) 2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.67758E-02 ppm1 1.215 ppm2 4.789 CV 1 ASSI { 108} (( segid "KH " and resid 65 and name HB2 )) (( segid "KH " and resid 65 and name HA )) 2.200 0.600 0.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11385E-01 ppm1 2.650 ppm2 4.650 CV 1 OR { 108} (( segid "KH " and resid 65 and name HB3 )) (( segid "KH " and resid 65 and name HA )) ASSI { 111} (( segid "KH " and resid 68 and name HA )) (( segid "KH " and resid 29 and name HG12)) 4.000 2.000 2.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.88591E-03 ppm1 5.219 ppm2 1.226 CV 1 ASSI { 113} (( segid "KH " and resid 68 and name HB )) (( segid "KH " and resid 28 and name HA )) 4.000 2.000 2.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.89031E-03 ppm1 2.057 ppm2 4.922 CV 1 ASSI { 115} ( segid "KH " and resid 68 and name HG2%) (( segid "KH " and resid 68 and name HA )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.36149E-02 ppm1 0.804 ppm2 5.201 CV 1 ASSI { 117} (( segid "KH " and resid 70 and name HB2 )) (( segid "KH " and resid 70 and name HA )) 3.700 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.63505E-03 ppm1 1.819 ppm2 3.800 CV 1 ASSI { 122} (( segid "KH " and resid 73 and name HA )) (( segid "KH " and resid 56 and name HA )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.21319E-02 ppm1 4.918 ppm2 5.013 CV 1 ASSI { 123} (( segid "KH " and resid 74 and name HB )) (( segid "KH " and resid 74 and name HA )) 3.200 1.300 1.300 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 3.881 ppm2 5.640 CV 1 ASSI { 125} ( segid "KH " and resid 74 and name HG2%) (( segid "KH " and resid 74 and name HA )) 2.300 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.71568E-02 ppm1 1.116 ppm2 5.636 CV 1 ASSI { 126} (( segid "KH " and resid 76 and name HB2 )) (( segid "KH " and resid 76 and name HA )) 3.500 1.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.96578E-03 ppm1 2.478 ppm2 5.175 CV 1 ASSI { 131} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 79 and name HA )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.68465E-02 ppm1 1.441 ppm2 4.388 CV 1 ASSI { 134} (( segid "KH " and resid 82 and name HE3 )) (( segid "KH " and resid 82 and name HD3 )) 2.900 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 2.701 ppm2 1.191 CV 1 OR { 134} (( segid "KH " and resid 82 and name HE2 )) (( segid "KH " and resid 82 and name HD3 )) ASSI { 135} (( segid "KH " and resid 82 and name HE2 )) (( segid "KH " and resid 82 and name HD2 )) 2.700 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.31582E-02 ppm1 2.701 ppm2 1.375 CV 1 OR { 135} (( segid "KH " and resid 82 and name HE3 )) (( segid "KH " and resid 82 and name HD2 )) ASSI { 140} ( segid "KH " and resid 45 and name HG2%) ( segid "KH " and resid 45 and name HD1%) 2.100 0.500 0.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10425E-01 ppm1 1.225 ppm2 0.565 CV 1 ASSI { 142} (( segid "KH " and resid 86 and name HA )) (( segid "KH " and resid 86 and name HD3 )) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.50119E-02 ppm1 4.176 ppm2 3.056 CV 1 OR { 142} (( segid "KH " and resid 86 and name HA )) (( segid "KH " and resid 86 and name HD2 )) ASSI { 143} (( segid "KH " and resid 86 and name HB2 )) (( segid "KH " and resid 86 and name HA )) 2.200 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.10325E-01 ppm1 1.959 ppm2 4.174 CV 1 OR { 143} (( segid "KH " and resid 86 and name HB3 )) (( segid "KH " and resid 86 and name HA )) ASSI { 144} (( segid "KH " and resid 86 and name HG3 )) (( segid "KH " and resid 86 and name HA )) 2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.84269E-02 ppm1 1.511 ppm2 4.147 CV 1 ASSI { 148} ( segid "KH " and resid 87 and name HD1%) (( segid "KH " and resid 87 and name HA )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.57276E-02 ppm1 0.560 ppm2 3.470 CV 1 ASSI { 150} (( segid "KH " and resid 88 and name HB2 )) (( segid "KH " and resid 88 and name HA )) 3.500 1.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.78480E-03 ppm1 2.861 ppm2 3.803 CV 1 ASSI { 157} (( segid "KH " and resid 92 and name HE3 )) (( segid "KH " and resid 92 and name HD3 )) 1.700 0.300 0.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.40692E-01 ppm1 2.990 ppm2 1.694 CV 1 OR { 157} (( segid "KH " and resid 92 and name HE2 )) (( segid "KH " and resid 92 and name HD2 )) OR { 157} (( segid "KH " and resid 92 and name HE3 )) (( segid "KH " and resid 92 and name HD2 )) OR { 157} (( segid "KH " and resid 92 and name HE2 )) (( segid "KH " and resid 92 and name HD3 )) ASSI { 159} (( segid "KH " and resid 94 and name HA )) (( segid "KH " and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.40620E-02 ppm1 4.280 ppm2 2.315 CV 1 ASSI { 160} (( segid "KH " and resid 95 and name HA )) (( segid "KH " and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.64655E-02 ppm1 4.529 ppm2 2.881 CV 1 ASSI { 163} (( segid "KH " and resid 95 and name HB3 )) (( segid "KH " and resid 95 and name HA )) 2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.36321E-02 ppm1 2.694 ppm2 4.516 CV 1 ASSI { 165} ( segid "KH " and resid 27 and name HG1%) (( segid "KH " and resid 28 and name HA )) 2.500 2.500 3.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.73983E-02 ppm1 0.924 ppm2 4.915 CV 1 ASSI { 167} (( segid "KH " and resid 69 and name HA )) ( segid "KH " and resid 68 and name HG1%) 2.600 2.600 3.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.10879E-02 ppm1 4.720 ppm2 0.804 CV 1 ASSI { 168} (( segid "KH " and resid 69 and name HA )) (( segid "KH " and resid 69 and name HB2 )) 3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 4.712 ppm2 1.518 CV 1 ASSI { 170} (( segid "KH " and resid 90 and name HA )) (( segid "KH " and resid 90 and name HG2 )) 3.500 1.500 1.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.98580E-03 ppm1 4.205 ppm2 1.091 CV 1 OR { 170} (( segid "KH " and resid 90 and name HA )) (( segid "KH " and resid 90 and name HG3 )) ASSI { 171} (( segid "KH " and resid 91 and name HA )) ( segid "KH " and resid 91 and name HD1%) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.26379E-02 ppm1 4.153 ppm2 0.769 CV 1 ASSI { 172} (( segid "KH " and resid 137 and name HB2 )) (( segid "KH " and resid 137 and name HB3 )) 1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.26013E-01 ppm1 2.207 ppm2 2.038 CV 1 ASSI { 176} ( segid "KH " and resid 24 and name HG2%) (( segid "KH " and resid 74 and name HA )) 3.000 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.28651E-02 ppm1 1.047 ppm2 5.642 CV 1 ASSI { 178} ( segid "KH " and resid 25 and name HG2%) (( segid "KH " and resid 25 and name HA )) 2.400 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.88175E-02 ppm1 0.796 ppm2 4.441 CV 1 ASSI { 182} (( segid "KH " and resid 37 and name HB )) (( segid "KH " and resid 34 and name HA )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.88029E-03 ppm1 1.728 ppm2 2.899 CV 1 ASSI { 184} (( segid "KH " and resid 27 and name HA )) (( segid "KH " and resid 27 and name HB )) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 4.737 ppm2 1.693 CV 1 ASSI { 197} (( segid "KH " and resid 30 and name HG3 )) (( segid "KH " and resid 30 and name HA )) 3.300 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 1.942 ppm2 4.488 CV 1 OR { 197} (( segid "KH " and resid 30 and name HG2 )) (( segid "KH " and resid 30 and name HA )) ASSI { 205} (( segid "KH " and resid 31 and name HA )) (( segid "KH " and resid 69 and name HB2 )) 3.300 1.300 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.89031E-03 ppm1 3.605 ppm2 1.524 CV 1 ASSI { 206} ( segid "KH " and resid 31 and name HB% ) (( segid "KH " and resid 31 and name HA )) 2.200 0.600 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.98851E-02 ppm1 1.231 ppm2 3.596 CV 1 ASSI { 208} ( segid "KH " and resid 31 and name HB% ) (( segid "KH " and resid 67 and name HD3 )) 2.700 0.900 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.37249E-02 ppm1 1.229 ppm2 1.808 CV 1 OR { 208} ( segid "KH " and resid 31 and name HB% ) (( segid "KH " and resid 67 and name HD2 )) ASSI { 209} ( segid "KH " and resid 31 and name HB% ) (( segid "KH " and resid 32 and name HG3 )) 3.400 1.400 1.400 peak 209 spectrum 1 weight 0.10000E+01 volume 0.11429E-02 ppm1 1.230 ppm2 2.357 CV 1 ASSI { 210} (( segid "KH " and resid 32 and name HB2 )) (( segid "KH " and resid 32 and name HG2 )) 2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.84025E-02 ppm1 2.214 ppm2 2.541 CV 1 ASSI { 211} (( segid "KH " and resid 32 and name HB3 )) (( segid "KH " and resid 32 and name HG2 )) 2.400 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.62530E-02 ppm1 2.136 ppm2 2.539 CV 1 ASSI { 212} (( segid "KH " and resid 32 and name HG3 )) (( segid "KH " and resid 32 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.62871E-02 ppm1 2.389 ppm2 4.181 CV 1 ASSI { 213} (( segid "KH " and resid 32 and name HG2 )) (( segid "KH " and resid 32 and name HG3 )) 1.500 0.300 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.35465E-01 ppm1 2.574 ppm2 2.365 CV 1 ASSI { 216} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 29 and name HA )) 3.800 1.800 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.77598E-03 ppm1 0.434 ppm2 4.930 CV 1 ASSI { 222} (( segid "KH " and resid 34 and name HB )) ( segid "KH " and resid 34 and name HG1%) 2.300 0.600 0.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.59328E-02 ppm1 1.818 ppm2 0.806 CV 1 ASSI { 223} (( segid "KH " and resid 34 and name HB )) ( segid "KH " and resid 34 and name HG2%) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.51732E-02 ppm1 1.819 ppm2 0.541 CV 1 ASSI { 224} (( segid "KH " and resid 34 and name HB )) ( segid "KH " and resid 29 and name HD1%) 3.700 1.700 1.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.78163E-03 ppm1 1.821 ppm2 0.329 CV 1 ASSI { 225} (( segid "KH " and resid 34 and name HB )) (( segid "KH " and resid 34 and name HA )) 2.700 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16651E-02 ppm1 1.832 ppm2 2.905 CV 1 ASSI { 226} ( segid "KH " and resid 34 and name HG1%) (( segid "KH " and resid 34 and name HA )) 2.600 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.53688E-02 ppm1 0.829 ppm2 2.884 CV 1 ASSI { 227} (( segid "KH " and resid 29 and name HG13)) (( segid "KH " and resid 29 and name HG12)) 1.900 0.400 0.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.66340E-02 ppm1 0.826 ppm2 1.202 CV 1 ASSI { 229} (( segid "KH " and resid 37 and name HA )) (( segid "KH " and resid 37 and name HB )) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 3.459 ppm2 1.711 CV 1 ASSI { 233} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 90 and name HB2 )) 2.600 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.32315E-02 ppm1 0.484 ppm2 1.977 CV 1 OR { 233} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 90 and name HB3 )) ASSI { 234} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 37 and name HB )) 2.800 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.62798E-02 ppm1 0.486 ppm2 1.713 CV 1 ASSI { 236} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 37 and name HG13)) 2.200 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.70589E-02 ppm1 0.484 ppm2 0.949 CV 1 ASSI { 238} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 90 and name HA )) 3.200 1.300 1.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.12669E-02 ppm1 0.484 ppm2 4.173 CV 1 ASSI { 239} (( segid "KH " and resid 45 and name HB )) ( segid "KH " and resid 45 and name HD1%) 3.100 1.200 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.15385E-02 ppm1 2.139 ppm2 0.562 CV 1 ASSI { 240} (( segid "KH " and resid 45 and name HB )) (( segid "KH " and resid 45 and name HG13)) 2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 2.147 ppm2 1.238 CV 1 ASSI { 243} ( segid "KH " and resid 45 and name HG2%) (( segid "KH " and resid 45 and name HB )) 2.300 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.50681E-02 ppm1 1.231 ppm2 2.105 CV 1 ASSI { 244} (( segid "KH " and resid 48 and name HA )) (( segid "KH " and resid 51 and name HB3 )) 3.100 3.100 2.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.16297E-02 ppm1 4.057 ppm2 3.089 CV 1 ASSI { 246} (( segid "KH " and resid 51 and name HB2 )) (( segid "KH " and resid 48 and name HA )) 4.200 2.200 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.60525E-03 ppm1 3.403 ppm2 4.053 CV 1 ASSI { 250} (( segid "KH " and resid 50 and name HB2 )) (( segid "KH " and resid 50 and name HA )) 2.200 0.600 0.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.10325E-01 ppm1 1.959 ppm2 4.174 CV 1 OR { 250} (( segid "KH " and resid 50 and name HB3 )) (( segid "KH " and resid 50 and name HA )) ASSI { 251} (( segid "KH " and resid 50 and name HB3 )) (( segid "KH " and resid 47 and name HA )) 2.700 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.41449E-02 ppm1 1.952 ppm2 4.044 CV 1 OR { 251} (( segid "KH " and resid 50 and name HB2 )) (( segid "KH " and resid 47 and name HA )) ASSI { 255} (( segid "KH " and resid 50 and name HG2 )) (( segid "KH " and resid 50 and name HD3 )) 2.300 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.82386E-02 ppm1 1.790 ppm2 3.213 CV 1 OR { 255} (( segid "KH " and resid 50 and name HG2 )) (( segid "KH " and resid 50 and name HD2 )) ASSI { 256} (( segid "KH " and resid 50 and name HG3 )) (( segid "KH " and resid 50 and name HD2 )) 2.000 0.500 0.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.15622E-01 ppm1 1.692 ppm2 3.208 CV 1 OR { 256} (( segid "KH " and resid 50 and name HG3 )) (( segid "KH " and resid 50 and name HD3 )) ASSI { 257} (( segid "KH " and resid 50 and name HG3 )) (( segid "KH " and resid 50 and name HB3 )) 2.000 0.500 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.13055E-01 ppm1 1.692 ppm2 1.945 CV 1 OR { 257} (( segid "KH " and resid 50 and name HG3 )) (( segid "KH " and resid 50 and name HB2 )) ASSI { 260} (( segid "KH " and resid 49 and name HA )) (( segid "KH " and resid 48 and name HB3 )) 3.200 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 4.200 ppm2 1.400 CV 1 ASSI { 263} (( segid "KH " and resid 48 and name HB2 )) (( segid "KH " and resid 48 and name HA )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 1.625 ppm2 4.057 CV 1 ASSI { 266} (( segid "KH " and resid 37 and name HG12)) (( segid "KH " and resid 37 and name HG13)) 1.700 0.400 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.10461E-01 ppm1 1.425 ppm2 0.934 CV 1 ASSI { 267} ( segid "KH " and resid 48 and name HD1%) (( segid "KH " and resid 48 and name HA )) 2.800 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.43405E-02 ppm1 0.803 ppm2 4.042 CV 1 ASSI { 268} ( segid "KH " and resid 48 and name HD1%) (( segid "KH " and resid 83 and name HA )) 2.600 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.46604E-02 ppm1 0.808 ppm2 3.925 CV 1 ASSI { 269} ( segid "KH " and resid 48 and name HD1%) (( segid "KH " and resid 48 and name HB3 )) 2.300 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.86149E-02 ppm1 0.803 ppm2 1.392 CV 1 ASSI { 276} (( segid "KH " and resid 62 and name HA )) ( segid "KH " and resid 63 and name HG2%) 3.300 1.400 1.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.14853E-02 ppm1 4.046 ppm2 1.233 CV 1 ASSI { 278} (( segid "KH " and resid 46 and name HB3 )) (( segid "KH " and resid 46 and name HA )) 2.100 0.500 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.14973E-01 ppm1 1.862 ppm2 4.141 CV 1 OR { 278} (( segid "KH " and resid 46 and name HB2 )) (( segid "KH " and resid 46 and name HA )) ASSI { 279} (( segid "KH " and resid 46 and name HB3 )) (( segid "KH " and resid 46 and name HG2 )) 2.000 0.500 0.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.14831E-01 ppm1 1.867 ppm2 1.496 CV 1 OR { 279} (( segid "KH " and resid 46 and name HB2 )) (( segid "KH " and resid 46 and name HG2 )) OR { 279} (( segid "KH " and resid 46 and name HB3 )) (( segid "KH " and resid 46 and name HG3 )) OR { 279} (( segid "KH " and resid 46 and name HB2 )) (( segid "KH " and resid 46 and name HG3 )) ASSI { 282} ( segid "KH " and resid 45 and name HD1%) (( segid "KH " and resid 45 and name HA )) 3.600 1.600 1.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.18915E-02 ppm1 0.566 ppm2 3.878 CV 1 ASSI { 284} ( segid "KH " and resid 87 and name HG2%) (( segid "KH " and resid 87 and name HB )) 2.300 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.55324E-02 ppm1 0.642 ppm2 1.986 CV 1 ASSI { 285} (( segid "KH " and resid 52 and name HA )) (( segid "KH " and resid 82 and name HD3 )) 3.500 1.600 1.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 3.787 ppm2 1.190 CV 1 ASSI { 286} (( segid "KH " and resid 52 and name HA )) (( segid "KH " and resid 82 and name HB2 )) 3.900 1.900 1.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.58866E-03 ppm1 3.787 ppm2 1.928 CV 1 ASSI { 287} ( segid "KH " and resid 52 and name HB% ) (( segid "KH " and resid 82 and name HB3 )) 2.900 2.900 3.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.23580E-02 ppm1 1.381 ppm2 1.637 CV 1 ASSI { 288} ( segid "KH " and resid 52 and name HB% ) (( segid "KH " and resid 51 and name HB3 )) 3.000 3.000 3.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.44624E-03 ppm1 1.379 ppm2 3.082 CV 1 ASSI { 293} ( segid "KH " and resid 54 and name HB% ) ( segid "KH " and resid 52 and name HB% ) 2.200 0.600 0.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11475E-01 ppm1 1.010 ppm2 1.411 CV 1 ASSI { 294} ( segid "KH " and resid 54 and name HB% ) ( segid "KH " and resid 56 and name HD1%) 2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.63310E-02 ppm1 1.008 ppm2 0.620 CV 1 ASSI { 300} ( segid "KH " and resid 56 and name HD1%) (( segid "KH " and resid 49 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.52611E-02 ppm1 0.662 ppm2 4.178 CV 1 ASSI { 304} (( segid "KH " and resid 57 and name HD3 )) (( segid "KH " and resid 57 and name HE2 )) 1.900 0.400 0.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.25476E-01 ppm1 1.667 ppm2 2.937 CV 1 OR { 304} (( segid "KH " and resid 57 and name HD2 )) (( segid "KH " and resid 57 and name HE3 )) OR { 304} (( segid "KH " and resid 57 and name HD2 )) (( segid "KH " and resid 57 and name HE2 )) OR { 304} (( segid "KH " and resid 57 and name HD3 )) (( segid "KH " and resid 57 and name HE3 )) ASSI { 305} (( segid "KH " and resid 57 and name HD3 )) (( segid "KH " and resid 57 and name HA )) 3.800 1.800 1.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 1.668 ppm2 4.762 CV 1 OR { 305} (( segid "KH " and resid 57 and name HD2 )) (( segid "KH " and resid 57 and name HA )) ASSI { 314} (( segid "KH " and resid 93 and name HB3 )) (( segid "KH " and resid 93 and name HG2 )) 1.800 0.400 0.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.31948E-01 ppm1 2.123 ppm2 2.310 CV 1 OR { 314} (( segid "KH " and resid 93 and name HB3 )) (( segid "KH " and resid 93 and name HG3 )) ASSI { 317} (( segid "KH " and resid 63 and name HA )) (( segid "KH " and resid 64 and name HG3 )) 4.500 2.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.92133E-03 ppm1 4.812 ppm2 1.959 CV 1 ASSI { 318} (( segid "KH " and resid 63 and name HA )) (( segid "KH " and resid 64 and name HG2 )) 4.600 2.600 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.12794E-02 ppm1 4.791 ppm2 2.070 CV 1 ASSI { 319} (( segid "KH " and resid 63 and name HA )) (( segid "KH " and resid 63 and name HB )) 2.400 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.40937E-02 ppm1 4.801 ppm2 4.380 CV 1 ASSI { 320} (( segid "KH " and resid 63 and name HB )) (( segid "KH " and resid 64 and name HG2 )) 4.300 2.300 1.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.10659E-02 ppm1 4.417 ppm2 2.077 CV 1 ASSI { 321} (( segid "KH " and resid 63 and name HB )) (( segid "KH " and resid 64 and name HG3 )) 4.600 2.600 1.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.92474E-03 ppm1 4.419 ppm2 1.949 CV 1 ASSI { 323} ( segid "KH " and resid 63 and name HG2%) (( segid "KH " and resid 64 and name HD2 )) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.60845E-02 ppm1 1.213 ppm2 3.816 CV 1 ASSI { 324} ( segid "KH " and resid 63 and name HG2%) (( segid "KH " and resid 62 and name HB3 )) 2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.76207E-02 ppm1 1.214 ppm2 2.107 CV 1 OR { 324} ( segid "KH " and resid 63 and name HG2%) (( segid "KH " and resid 62 and name HB2 )) ASSI { 328} (( segid "KH " and resid 68 and name HB )) ( segid "KH " and resid 28 and name HD% ) 3.700 1.700 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.95798E-03 ppm1 2.067 ppm2 6.777 CV 1 ASSI { 333} ( segid "KH " and resid 68 and name HG2%) (( segid "KH " and resid 68 and name HB )) 2.100 0.600 0.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.91423E-02 ppm1 0.801 ppm2 2.043 CV 1 ASSI { 338} (( segid "KH " and resid 70 and name HA )) (( segid "KH " and resid 70 and name HG3 )) 3.400 1.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.95920E-03 ppm1 3.821 ppm2 1.025 CV 1 ASSI { 340} ( segid "KH " and resid 71 and name HG2%) (( segid "KH " and resid 71 and name HB )) 2.100 0.500 0.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.12398E-01 ppm1 0.682 ppm2 2.032 CV 1 ASSI { 341} ( segid "KH " and resid 71 and name HG1%) (( segid "KH " and resid 71 and name HA )) 2.400 0.700 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.57009E-02 ppm1 0.671 ppm2 4.333 CV 1 ASSI { 344} ( segid "KH " and resid 74 and name HG2%) (( segid "KH " and resid 74 and name HB )) 2.100 0.500 0.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.13730E-01 ppm1 1.117 ppm2 3.854 CV 1 ASSI { 356} (( segid "KH " and resid 76 and name HG2 )) (( segid "KH " and resid 77 and name HD3 )) 3.500 3.500 2.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.34196E-02 ppm1 2.208 ppm2 3.785 CV 1 ASSI { 357} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 54 and name HA )) 2.300 2.300 3.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.19719E-02 ppm1 1.438 ppm2 4.940 CV 1 ASSI { 358} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 78 and name HG2 )) 2.500 2.500 3.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.11492E-02 ppm1 1.445 ppm2 2.318 CV 1 OR { 358} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 78 and name HG3 )) ASSI { 360} ( segid "KH " and resid 79 and name HB% ) ( segid "KH " and resid 54 and name HB% ) 2.500 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.54078E-02 ppm1 1.436 ppm2 0.999 CV 1 ASSI { 362} (( segid "KH " and resid 78 and name HB3 )) ( segid "KH " and resid 79 and name HB% ) 3.500 1.600 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 1.967 ppm2 1.401 CV 1 ASSI { 363} (( segid "KH " and resid 78 and name HB2 )) ( segid "KH " and resid 79 and name HB% ) 3.500 1.600 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.18382E-02 ppm1 2.034 ppm2 1.402 CV 1 ASSI { 372} (( segid "KH " and resid 82 and name HE2 )) (( segid "KH " and resid 82 and name HB3 )) 4.000 2.000 2.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.63261E-03 ppm1 2.700 ppm2 1.669 CV 1 OR { 372} (( segid "KH " and resid 82 and name HE3 )) (( segid "KH " and resid 82 and name HB3 )) ASSI { 373} (( segid "KH " and resid 82 and name HE2 )) (( segid "KH " and resid 82 and name HB2 )) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.14011E-02 ppm1 2.707 ppm2 1.887 CV 1 OR { 373} (( segid "KH " and resid 82 and name HE3 )) (( segid "KH " and resid 82 and name HB2 )) ASSI { 375} (( segid "KH " and resid 85 and name HA2 )) (( segid "KH " and resid 85 and name HA3 )) 2.900 2.900 3.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.90693E-03 ppm1 3.196 ppm2 2.259 CV 1 ASSI { 380} ( segid "KH " and resid 87 and name HG2%) (( segid "KH " and resid 89 and name HA2 )) 3.600 3.600 2.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.26599E-02 ppm1 0.645 ppm2 3.791 CV 1 OR { 380} ( segid "KH " and resid 87 and name HG2%) (( segid "KH " and resid 89 and name HA3 )) ASSI { 383} ( segid "KH " and resid 87 and name HD1%) (( segid "KH " and resid 87 and name HB )) 2.600 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.92302E-02 ppm1 0.560 ppm2 1.982 CV 1 ASSI { 384} ( segid "KH " and resid 87 and name HD1%) (( segid "KH " and resid 87 and name HG12)) 2.200 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.83780E-02 ppm1 0.561 ppm2 1.714 CV 1 ASSI { 388} (( segid "KH " and resid 41 and name HE2 )) (( segid "KH " and resid 41 and name HE3 )) 1.800 0.400 0.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12557E-01 ppm1 3.290 ppm2 3.108 CV 1 ASSI { 389} (( segid "KH " and resid 41 and name HE2 )) ( segid "KH " and resid 45 and name HG2%) 3.700 3.700 2.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.53539E-03 ppm1 3.289 ppm2 1.230 CV 1 ASSI { 392} (( segid "KH " and resid 92 and name HB3 )) (( segid "KH " and resid 92 and name HG2 )) 2.400 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.54078E-02 ppm1 1.951 ppm2 1.502 CV 1 OR { 392} (( segid "KH " and resid 92 and name HB3 )) (( segid "KH " and resid 92 and name HG3 )) ASSI { 393} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 92 and name HE2 )) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.74059E-02 ppm1 1.525 ppm2 3.013 CV 1 OR { 393} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 92 and name HE3 )) OR { 393} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 92 and name HE2 )) OR { 393} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 92 and name HE3 )) ASSI { 394} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 88 and name HB2 )) 3.900 1.900 1.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.99998E-03 ppm1 1.540 ppm2 2.833 CV 1 OR { 394} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 88 and name HB2 )) ASSI { 395} (( segid "KH " and resid 92 and name HD3 )) (( segid "KH " and resid 92 and name HA )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.58889E-02 ppm1 1.710 ppm2 4.352 CV 1 OR { 395} (( segid "KH " and resid 92 and name HD2 )) (( segid "KH " and resid 92 and name HA )) ASSI { 397} (( segid "KH " and resid 95 and name HB3 )) (( segid "KH " and resid 95 and name HB2 )) 1.900 0.400 0.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13463E-01 ppm1 2.694 ppm2 2.894 CV 1 ASSI { 399} (( segid "KH " and resid 58 and name HA )) (( segid "KH " and resid 71 and name HA )) 2.900 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.14230E-02 ppm1 4.731 ppm2 4.312 CV 1 ASSI { 403} ( segid "KH " and resid 27 and name HG2%) (( segid "KH " and resid 27 and name HB )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10373E-01 ppm1 0.733 ppm2 1.688 CV 1 ASSI { 404} ( segid "KH " and resid 27 and name HG1%) (( segid "KH " and resid 27 and name HA )) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.44258E-02 ppm1 0.902 ppm2 4.731 CV 1 ASSI { 408} ( segid "KH " and resid 27 and name HG1%) (( segid "KH " and resid 27 and name HB )) 2.200 0.600 0.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.10046E-01 ppm1 0.898 ppm2 1.688 CV 1 ASSI { 417} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 58 and name HB )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.48289E-02 ppm1 0.367 ppm2 1.738 CV 1 ASSI { 420} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 58 and name HA )) 2.700 0.900 0.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.24548E-02 ppm1 0.368 ppm2 4.742 CV 1 ASSI { 422} ( segid "KH " and resid 29 and name HG2%) (( segid "KH " and resid 29 and name HB )) 2.300 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.69099E-02 ppm1 0.613 ppm2 1.485 CV 1 ASSI { 424} (( segid "KH " and resid 30 and name HA )) (( segid "KH " and resid 30 and name HB3 )) 2.600 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 4.525 ppm2 1.507 CV 1 ASSI { 429} (( segid "KH " and resid 34 and name HB )) (( segid "KH " and resid 30 and name HB2 )) 2.800 2.800 3.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.40326E-02 ppm1 1.836 ppm2 2.455 CV 1 ASSI { 431} ( segid "KH " and resid 34 and name HG1%) ( segid "KH " and resid 34 and name HG2%) 2.100 0.500 0.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.12132E-01 ppm1 0.818 ppm2 0.547 CV 1 ASSI { 433} (( segid "KH " and resid 37 and name HA )) (( segid "KH " and resid 37 and name HG13)) 3.700 1.700 1.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.86149E-03 ppm1 3.467 ppm2 0.953 CV 1 ASSI { 436} ( segid "KH " and resid 87 and name HD1%) (( segid "KH " and resid 84 and name HG3 )) 3.600 1.600 1.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.52198E-03 ppm1 0.564 ppm2 2.782 CV 1 ASSI { 437} (( segid "KH " and resid 37 and name HG12)) (( segid "KH " and resid 37 and name HA )) 4.100 2.100 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.52660E-03 ppm1 1.390 ppm2 3.458 CV 1 ASSI { 440} (( segid "KH " and resid 45 and name HA )) (( segid "KH " and resid 48 and name HB2 )) 3.000 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 3.897 ppm2 1.632 CV 1 ASSI { 445} (( segid "KH " and resid 45 and name HA )) (( segid "KH " and resid 45 and name HB )) 3.200 1.300 1.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.90349E-03 ppm1 3.910 ppm2 2.119 CV 1 ASSI { 446} (( segid "KH " and resid 171 and name HG3 )) ( segid "KH " and resid 25 and name HG1%) 2.200 0.600 0.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.89054E-02 ppm1 1.734 ppm2 0.821 CV 1 ASSI { 451} (( segid "KH " and resid 119 and name HB )) (( segid "KH " and resid 120 and name HG12)) 3.300 3.300 2.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.24645E-02 ppm1 2.107 ppm2 1.526 CV 1 OR { 451} (( segid "KH " and resid 119 and name HB )) (( segid "KH " and resid 120 and name HG13)) ASSI { 452} (( segid "KH " and resid 67 and name HG2 )) (( segid "KH " and resid 67 and name HA )) 2.800 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 1.624 ppm2 4.349 CV 1 ASSI { 457} (( segid "KH " and resid 30 and name HB2 )) (( segid "KH " and resid 68 and name HB )) 3.400 1.500 1.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.43088E-02 ppm1 2.479 ppm2 2.056 CV 1 ASSI { 458} (( segid "KH " and resid 77 and name HD3 )) (( segid "KH " and resid 75 and name HA2 )) 2.900 2.900 3.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.30117E-02 ppm1 3.804 ppm2 4.403 CV 1 ASSI { 461} (( segid "KH " and resid 78 and name HB2 )) (( segid "KH " and resid 78 and name HA )) 2.000 0.500 0.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.20019E-01 ppm1 2.037 ppm2 4.183 CV 1 ASSI { 462} (( segid "KH " and resid 78 and name HB2 )) (( segid "KH " and resid 78 and name HG2 )) 2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.19692E-01 ppm1 2.034 ppm2 2.311 CV 1 OR { 462} (( segid "KH " and resid 78 and name HB2 )) (( segid "KH " and resid 78 and name HG3 )) ASSI { 463} (( segid "KH " and resid 78 and name HG3 )) (( segid "KH " and resid 78 and name HA )) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.49485E-02 ppm1 2.304 ppm2 4.186 CV 1 OR { 463} (( segid "KH " and resid 78 and name HG2 )) (( segid "KH " and resid 78 and name HA )) ASSI { 465} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 76 and name HD2 )) 2.800 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.28651E-02 ppm1 1.434 ppm2 3.627 CV 1 OR { 465} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 76 and name HD3 )) ASSI { 467} (( segid "KH " and resid 80 and name HA )) (( segid "KH " and resid 80 and name HB2 )) 2.700 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.35025E-02 ppm1 3.794 ppm2 2.203 CV 1 OR { 467} (( segid "KH " and resid 80 and name HA )) (( segid "KH " and resid 80 and name HB3 )) ASSI { 470} (( segid "KH " and resid 82 and name HG2 )) (( segid "KH " and resid 82 and name HA )) 3.500 1.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 1.839 ppm2 3.969 CV 1 ASSI { 473} (( segid "KH " and resid 82 and name HG3 )) ( segid "KH " and resid 83 and name HB% ) 3.100 1.200 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.19093E-02 ppm1 1.475 ppm2 1.181 CV 1 ASSI { 477} (( segid "KH " and resid 88 and name HB2 )) ( segid "KH " and resid 91 and name HD1%) 4.600 2.600 1.400 peak 477 spectrum 1 weight 0.10000E+01 volume 0.65778E-03 ppm1 2.851 ppm2 0.761 CV 1 ASSI { 479} (( segid "KH " and resid 88 and name HB3 )) (( segid "KH " and resid 88 and name HA )) 3.300 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.63505E-03 ppm1 2.802 ppm2 3.801 CV 1 ASSI { 481} (( segid "KH " and resid 90 and name HB2 )) (( segid "KH " and resid 90 and name HA )) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.41376E-02 ppm1 1.950 ppm2 4.182 CV 1 OR { 481} (( segid "KH " and resid 90 and name HB3 )) (( segid "KH " and resid 90 and name HA )) ASSI { 483} (( segid "KH " and resid 90 and name HB3 )) (( segid "KH " and resid 90 and name HG3 )) 3.000 1.200 1.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 1.969 ppm2 1.104 CV 1 OR { 483} (( segid "KH " and resid 90 and name HB2 )) (( segid "KH " and resid 90 and name HG2 )) OR { 483} (( segid "KH " and resid 90 and name HB3 )) (( segid "KH " and resid 90 and name HG2 )) OR { 483} (( segid "KH " and resid 90 and name HB2 )) (( segid "KH " and resid 90 and name HG3 )) ASSI { 484} ( segid "KH " and resid 91 and name HD2%) (( segid "KH " and resid 91 and name HA )) 2.500 0.800 0.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.47483E-02 ppm1 0.520 ppm2 4.139 CV 1 ASSI { 486} ( segid "KH " and resid 91 and name HD2%) (( segid "KH " and resid 30 and name HD2 )) 2.800 2.800 3.200 peak 486 spectrum 1 weight 0.10000E+01 volume 0.60429E-03 ppm1 0.524 ppm2 3.720 CV 1 ASSI { 491} (( segid "KH " and resid 92 and name HA )) (( segid "KH " and resid 92 and name HB3 )) 2.600 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.25744E-02 ppm1 4.335 ppm2 1.924 CV 1 ASSI { 492} (( segid "KH " and resid 51 and name HA )) ( segid "KH " and resid 51 and name HE% ) 4.100 2.100 1.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.96700E-03 ppm1 4.331 ppm2 7.251 CV 1 ASSI { 493} (( segid "KH " and resid 92 and name HB3 )) (( segid "KH " and resid 92 and name HE3 )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 1.954 ppm2 2.977 CV 1 OR { 493} (( segid "KH " and resid 92 and name HB3 )) (( segid "KH " and resid 92 and name HE2 )) ASSI { 496} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 92 and name HB2 )) 2.400 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.45090E-02 ppm1 1.509 ppm2 2.169 CV 1 OR { 496} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 92 and name HB2 )) ASSI { 498} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 92 and name HA )) 2.900 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.34536E-02 ppm1 1.532 ppm2 4.316 CV 1 OR { 498} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 92 and name HA )) ASSI { 502} (( segid "KH " and resid 94 and name HA )) (( segid "KH " and resid 94 and name HG3 )) 2.600 0.800 0.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.55423E-02 ppm1 4.282 ppm2 2.111 CV 1 OR { 502} (( segid "KH " and resid 94 and name HA )) (( segid "KH " and resid 94 and name HG2 )) ASSI { 505} (( segid "KH " and resid 64 and name HG2 )) (( segid "KH " and resid 64 and name HD2 )) 2.000 0.500 0.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.11421E-01 ppm1 2.076 ppm2 3.797 CV 1 ASSI { 512} (( segid "KH " and resid 58 and name HG13)) (( segid "KH " and resid 58 and name HA )) 3.500 1.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.89130E-03 ppm1 0.806 ppm2 4.736 CV 1 ASSI { 525} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 45 and name HA )) 2.800 2.800 3.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.69367E-03 ppm1 0.370 ppm2 3.909 CV 1 ASSI { 526} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 45 and name HG12)) 3.400 1.400 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.25378E-02 ppm1 0.361 ppm2 1.385 CV 1 ASSI { 527} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 58 and name HG13)) 2.100 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.91423E-02 ppm1 0.368 ppm2 0.807 CV 1 ASSI { 528} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 58 and name HG12)) 2.300 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.55690E-02 ppm1 0.370 ppm2 1.168 CV 1 ASSI { 530} ( segid "KH " and resid 87 and name HD1%) ( segid "KH " and resid 91 and name HD1%) 2.200 2.200 3.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.20622E-01 ppm1 0.557 ppm2 0.746 CV 1 ASSI { 532} (( segid "KH " and resid 73 and name HB )) ( segid "KH " and resid 72 and name HG1%) 3.300 3.300 2.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 2.019 ppm2 0.771 CV 1 ASSI { 535} ( segid "KH " and resid 45 and name HG2%) ( segid "KH " and resid 38 and name HD1%) 3.900 1.900 1.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.16162E-02 ppm1 1.220 ppm2 -0.230 CV 1 ASSI { 536} ( segid "KH " and resid 38 and name HG2%) ( segid "KH " and resid 38 and name HD1%) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.44211E-02 ppm1 0.840 ppm2 -0.230 CV 1 ASSI { 539} (( segid "KH " and resid 37 and name HA )) ( segid "KH " and resid 36 and name HB% ) 3.800 1.800 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.59890E-03 ppm1 3.465 ppm2 1.264 CV 1 ASSI { 540} ( segid "KH " and resid 37 and name HD1%) ( segid "KH " and resid 36 and name HB% ) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 0.484 ppm2 1.256 CV 1 ASSI { 543} ( segid "KH " and resid 83 and name HB% ) ( segid "KH " and resid 48 and name HD2%) 2.400 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.74865E-02 ppm1 1.209 ppm2 0.668 CV 1 ASSI { 544} (( segid "KH " and resid 51 and name HA )) (( segid "KH " and resid 50 and name HB2 )) 3.100 1.200 1.200 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 4.345 ppm2 1.936 CV 1 OR { 544} (( segid "KH " and resid 51 and name HA )) (( segid "KH " and resid 50 and name HB3 )) ASSI { 546} (( segid "KH " and resid 76 and name HB2 )) ( segid "KH " and resid 79 and name HB% ) 3.600 1.600 1.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.88125E-03 ppm1 2.479 ppm2 1.429 CV 1 ASSI { 549} (( segid "KH " and resid 82 and name HE2 )) (( segid "KH " and resid 52 and name HA )) 3.700 1.700 1.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.48973E-03 ppm1 2.707 ppm2 3.777 CV 1 OR { 549} (( segid "KH " and resid 82 and name HE3 )) (( segid "KH " and resid 52 and name HA )) ASSI { 550} (( segid "KH " and resid 83 and name HA )) ( segid "KH " and resid 52 and name HB% ) 2.700 2.700 3.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.49095E-02 ppm1 3.965 ppm2 1.389 CV 1 ASSI { 551} (( segid "KH " and resid 86 and name HG3 )) ( segid "KH " and resid 51 and name HE% ) 3.200 3.200 2.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.29286E-03 ppm1 1.525 ppm2 7.267 CV 1 ASSI { 552} (( segid "KH " and resid 86 and name HD2 )) ( segid "KH " and resid 51 and name HE% ) 2.600 2.600 3.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.10786E-02 ppm1 3.049 ppm2 7.263 CV 1 OR { 552} (( segid "KH " and resid 86 and name HD3 )) ( segid "KH " and resid 51 and name HE% ) ASSI { 553} (( segid "KH " and resid 87 and name HB )) ( segid "KH " and resid 48 and name HD1%) 2.000 2.000 4.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.45725E-02 ppm1 1.999 ppm2 0.796 CV 1 ASSI { 556} ( segid "KH " and resid 25 and name HG1%) (( segid "KH " and resid 24 and name HA )) 3.500 1.500 1.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 0.799 ppm2 5.305 CV 1 ASSI { 560} (( segid "KH " and resid 29 and name HG13)) (( segid "KH " and resid 28 and name HA )) 4.200 2.200 1.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.98580E-03 ppm1 0.824 ppm2 4.905 CV 1 ASSI { 563} (( segid "KH " and resid 35 and name HA3 )) (( segid "KH " and resid 35 and name HA2 )) 2.500 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 3.144 ppm2 3.509 CV 1 ASSI { 569} (( segid "KH " and resid 32 and name HG3 )) (( segid "KH " and resid 32 and name HB3 )) 1.700 1.700 4.300 peak 569 spectrum 1 weight 0.10000E+01 volume 0.58033E-01 ppm1 2.338 ppm2 2.108 CV 1 ASSI { 571} (( segid "KH " and resid 66 and name HB2 )) ( segid "KH " and resid 63 and name HG2%) 2.400 2.400 3.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 4.092 ppm2 1.204 CV 1 OR { 571} (( segid "KH " and resid 66 and name HB3 )) ( segid "KH " and resid 63 and name HG2%) ASSI { 573} (( segid "KH " and resid 69 and name HB2 )) ( segid "KH " and resid 68 and name HG1%) 2.500 2.500 3.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 1.519 ppm2 0.798 CV 1 ASSI { 578} (( segid "KH " and resid 80 and name HA )) (( segid "KH " and resid 80 and name HG3 )) 4.700 2.700 1.300 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14697E-03 ppm1 3.797 ppm2 2.557 CV 1 OR { 578} (( segid "KH " and resid 80 and name HA )) (( segid "KH " and resid 80 and name HG2 )) ASSI { 581} ( segid "KH " and resid 38 and name HD1%) (( segid "KH " and resid 38 and name HG13)) 2.600 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.24987E-02 ppm1 -0.251 ppm2 1.212 CV 1 ASSI { 583} ( segid "KH " and resid 38 and name HD1%) (( segid "KH " and resid 38 and name HG12)) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.70712E-03 ppm1 -0.258 ppm2 1.765 CV 1 ASSI { 590} (( segid "KH " and resid 92 and name HE2 )) (( segid "KH " and resid 105 and name HB3 )) 2.600 2.600 3.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.12078E-01 ppm1 2.990 ppm2 1.397 CV 1 OR { 590} (( segid "KH " and resid 92 and name HE3 )) (( segid "KH " and resid 105 and name HB3 )) ASSI { 592} (( segid "KH " and resid 57 and name HE3 )) (( segid "KH " and resid 57 and name HB2 )) 2.000 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16905E-01 ppm1 2.945 ppm2 1.806 CV 1 OR { 592} (( segid "KH " and resid 57 and name HE2 )) (( segid "KH " and resid 57 and name HB2 )) ASSI { 594} ( segid "KH " and resid 73 and name HG2%) (( segid "KH " and resid 73 and name HG13)) 2.600 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.49730E-02 ppm1 0.721 ppm2 1.537 CV 1 OR { 594} ( segid "KH " and resid 73 and name HG2%) (( segid "KH " and resid 73 and name HG12)) ASSI { 596} (( segid "KH " and resid 50 and name HD3 )) (( segid "KH " and resid 50 and name HA )) 3.400 1.400 1.400 peak 596 spectrum 1 weight 0.10000E+01 volume 0.27699E-02 ppm1 3.234 ppm2 4.157 CV 1 OR { 596} (( segid "KH " and resid 50 and name HD2 )) (( segid "KH " and resid 50 and name HA )) ASSI { 597} (( segid "KH " and resid 50 and name HD3 )) (( segid "KH " and resid 50 and name HB2 )) 2.300 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.85393E-02 ppm1 3.231 ppm2 1.932 CV 1 OR { 597} (( segid "KH " and resid 50 and name HD2 )) (( segid "KH " and resid 50 and name HB3 )) OR { 597} (( segid "KH " and resid 50 and name HD3 )) (( segid "KH " and resid 50 and name HB3 )) OR { 597} (( segid "KH " and resid 50 and name HD2 )) (( segid "KH " and resid 50 and name HB2 )) ASSI { 600} (( segid "KH " and resid 57 and name HE3 )) ( segid "KH " and resid 72 and name HG1%) 2.700 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.31655E-02 ppm1 2.927 ppm2 0.776 CV 1 OR { 600} (( segid "KH " and resid 57 and name HE2 )) ( segid "KH " and resid 72 and name HG1%) ASSI { 601} (( segid "KH " and resid 67 and name HG3 )) (( segid "KH " and resid 67 and name HA )) 2.900 1.100 1.100 peak 601 spectrum 1 weight 0.10000E+01 volume 0.51292E-02 ppm1 1.532 ppm2 4.346 CV 1 ASSI { 603} (( segid "KH " and resid 40 and name HA )) (( segid "KH " and resid 40 and name HG2 )) 2.800 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.32852E-02 ppm1 4.602 ppm2 1.822 CV 1 ASSI { 612} (( segid "KH " and resid 46 and name HE2 )) (( segid "KH " and resid 46 and name HG3 )) 2.400 0.700 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.82019E-02 ppm1 2.950 ppm2 1.483 CV 1 OR { 612} (( segid "KH " and resid 46 and name HE3 )) (( segid "KH " and resid 46 and name HG3 )) OR { 612} (( segid "KH " and resid 46 and name HE2 )) (( segid "KH " and resid 46 and name HG2 )) OR { 612} (( segid "KH " and resid 46 and name HE3 )) (( segid "KH " and resid 46 and name HG2 )) ASSI { 614} (( segid "KH " and resid 46 and name HD2 )) (( segid "KH " and resid 46 and name HE3 )) 2.300 0.600 0.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.81507E-02 ppm1 1.806 ppm2 2.947 CV 1 OR { 614} (( segid "KH " and resid 46 and name HD3 )) (( segid "KH " and resid 46 and name HE2 )) OR { 614} (( segid "KH " and resid 46 and name HD3 )) (( segid "KH " and resid 46 and name HE3 )) OR { 614} (( segid "KH " and resid 46 and name HD2 )) (( segid "KH " and resid 46 and name HE2 )) ASSI { 617} (( segid "KH " and resid 63 and name HB )) (( segid "KH " and resid 64 and name HD3 )) 3.100 1.200 1.200 peak 617 spectrum 1 weight 0.10000E+01 volume 0.40937E-02 ppm1 4.415 ppm2 3.750 CV 1 ASSI { 618} (( segid "KH " and resid 63 and name HB )) (( segid "KH " and resid 64 and name HD2 )) 2.400 0.700 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.41888E-02 ppm1 4.415 ppm2 3.811 CV 1 ASSI { 621} (( segid "KH " and resid 56 and name HA )) (( segid "KH " and resid 56 and name HB )) 2.900 1.000 1.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.21414E-02 ppm1 5.021 ppm2 1.581 CV 1 ASSI { 623} (( segid "KH " and resid 90 and name HA )) (( segid "KH " and resid 90 and name HD3 )) 2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.74426E-02 ppm1 4.195 ppm2 1.493 CV 1 OR { 623} (( segid "KH " and resid 90 and name HA )) (( segid "KH " and resid 90 and name HD2 )) ASSI { 625} (( segid "KH " and resid 57 and name HA )) ( segid "KH " and resid 45 and name HD1%) 3.200 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.12432E-02 ppm1 4.776 ppm2 0.569 CV 1 ASSI { 627} ( segid "KH " and resid 74 and name HG2%) (( segid "KH " and resid 24 and name HA )) 2.800 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.32999E-02 ppm1 1.116 ppm2 5.301 CV 1 ASSI { 630} (( segid "KH " and resid 77 and name HD2 )) (( segid "KH " and resid 77 and name HB2 )) 3.200 1.300 1.300 peak 630 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 3.967 ppm2 2.230 CV 1 ASSI { 633} (( segid "KH " and resid 82 and name HG2 )) (( segid "KH " and resid 82 and name HG3 )) 2.300 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.26843E-02 ppm1 1.842 ppm2 1.487 CV 1 ASSI { 634} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 37 and name HA )) 2.500 2.500 3.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.12403E-02 ppm1 0.370 ppm2 3.480 CV 1 ASSI { 635} (( segid "KH " and resid 59 and name HA )) (( segid "KH " and resid 60 and name HD2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 4.525 ppm2 3.693 CV 1 ASSI { 639} (( segid "KH " and resid 96 and name HB2 )) (( segid "KH " and resid 96 and name HA )) 2.600 0.800 0.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.42526E-02 ppm1 2.797 ppm2 4.137 CV 1 OR { 639} (( segid "KH " and resid 96 and name HB3 )) (( segid "KH " and resid 96 and name HA )) ASSI { 640} (( segid "KH " and resid 32 and name HG2 )) ( segid "KH " and resid 96 and name HD% ) 3.800 3.800 2.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.86367E-03 ppm1 2.585 ppm2 7.120 CV 1 ASSI { 642} ( segid "KH " and resid 36 and name HB% ) ( segid "KH " and resid 96 and name HE% ) 3.000 3.000 3.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.25329E-02 ppm1 1.289 ppm2 7.254 CV 1 ASSI { 643} (( segid "KH " and resid 97 and name HA )) (( segid "KH " and resid 97 and name HB2 )) 2.300 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.91301E-02 ppm1 4.565 ppm2 3.145 CV 1 ASSI { 644} (( segid "KH " and resid 97 and name HA )) (( segid "KH " and resid 97 and name HB3 )) 2.600 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.27185E-02 ppm1 4.560 ppm2 2.688 CV 1 ASSI { 648} (( segid "KH " and resid 97 and name HB3 )) (( segid "KH " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.20754E-02 ppm1 2.688 ppm2 3.163 CV 1 ASSI { 651} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 90 and name HD3 )) 2.900 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.29164E-02 ppm1 0.483 ppm2 1.509 CV 1 OR { 651} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 90 and name HD2 )) ASSI { 657} ( segid "KH " and resid 38 and name HG2%) (( segid "KH " and resid 45 and name HB )) 2.800 1.000 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.28382E-02 ppm1 0.821 ppm2 2.109 CV 1 ASSI { 665} (( segid "KH " and resid 67 and name HE3 )) (( segid "KH " and resid 67 and name HA )) 2.900 1.100 1.100 peak 665 spectrum 1 weight 0.10000E+01 volume 0.39691E-02 ppm1 3.058 ppm2 4.344 CV 1 OR { 665} (( segid "KH " and resid 67 and name HE2 )) (( segid "KH " and resid 67 and name HA )) ASSI { 666} (( segid "KH " and resid 67 and name HE3 )) (( segid "KH " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.37345E-02 ppm1 3.049 ppm2 2.129 CV 1 OR { 666} (( segid "KH " and resid 67 and name HE2 )) (( segid "KH " and resid 67 and name HB2 )) ASSI { 667} (( segid "KH " and resid 67 and name HE2 )) (( segid "KH " and resid 67 and name HG3 )) 2.100 0.600 0.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.16253E-01 ppm1 3.046 ppm2 1.512 CV 1 OR { 667} (( segid "KH " and resid 67 and name HE3 )) (( segid "KH " and resid 67 and name HG3 )) ASSI { 668} (( segid "KH " and resid 86 and name HD3 )) (( segid "KH " and resid 86 and name HG2 )) 1.800 0.400 0.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.32754E-01 ppm1 3.048 ppm2 1.726 CV 1 OR { 668} (( segid "KH " and resid 86 and name HD2 )) (( segid "KH " and resid 86 and name HG2 )) ASSI { 669} (( segid "KH " and resid 40 and name HG2 )) (( segid "KH " and resid 40 and name HE3 )) 3.300 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.60673E-03 ppm1 1.855 ppm2 2.965 CV 1 ASSI { 670} (( segid "KH " and resid 40 and name HG2 )) (( segid "KH " and resid 40 and name HE2 )) 3.500 1.500 1.500 peak 670 spectrum 1 weight 0.10000E+01 volume 0.98752E-03 ppm1 1.848 ppm2 3.117 CV 1 ASSI { 672} (( segid "KH " and resid 92 and name HE3 )) (( segid "KH " and resid 104 and name HB2 )) 2.500 2.500 3.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.43967E-02 ppm1 3.011 ppm2 1.592 CV 1 OR { 672} (( segid "KH " and resid 92 and name HE2 )) (( segid "KH " and resid 104 and name HB2 )) ASSI { 675} (( segid "KH " and resid 75 and name HA3 )) ( segid "KH " and resid 79 and name HB% ) 4.800 2.900 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.32730E-03 ppm1 4.063 ppm2 1.432 CV 1 ASSI { 678} (( segid "KH " and resid 41 and name HB2 )) (( segid "KH " and resid 42 and name HA2 )) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.69489E-03 ppm1 1.755 ppm2 4.012 CV 1 OR { 678} (( segid "KH " and resid 41 and name HB3 )) (( segid "KH " and resid 42 and name HA2 )) ASSI { 680} ( segid "KH " and resid 45 and name HG2%) (( segid "KH " and resid 44 and name HA )) 3.200 3.200 2.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 1.222 ppm2 4.379 CV 1 ASSI { 684} (( segid "KH " and resid 25 and name HA )) ( segid "KH " and resid 24 and name HG2%) 3.300 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 4.446 ppm2 1.059 CV 1 ASSI { 688} ( segid "KH " and resid 25 and name HG2%) (( segid "KH " and resid 25 and name HB )) 1.800 0.400 0.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.28089E-01 ppm1 0.794 ppm2 2.001 CV 1 ASSI { 694} (( segid "KH " and resid 24 and name HB )) (( segid "KH " and resid 74 and name HA )) 4.000 2.000 2.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.73937E-03 ppm1 3.761 ppm2 5.631 CV 1 ASSI { 696} ( segid "KH " and resid 24 and name HG2%) (( segid "KH " and resid 26 and name HD2 )) 2.800 1.000 1.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.25842E-02 ppm1 1.047 ppm2 6.726 CV 1 ASSI { 706} ( segid "KH " and resid 27 and name HG2%) (( segid "KH " and resid 107 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.21006E-02 ppm1 0.729 ppm2 5.550 CV 1 ASSI { 716} (( segid "KH " and resid 107 and name HB )) (( segid "KH " and resid 156 and name HB )) 3.000 1.200 1.200 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12511E-02 ppm1 3.956 ppm2 1.658 CV 1 ASSI { 718} (( segid "KH " and resid 107 and name HB )) ( segid "KH " and resid 25 and name HG1%) 3.200 3.200 2.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 3.956 ppm2 0.799 CV 1 ASSI { 721} (( segid "KH " and resid 107 and name HA )) (( segid "KH " and resid 27 and name HA )) 2.700 0.900 0.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.25622E-02 ppm1 5.546 ppm2 4.732 CV 1 ASSI { 722} (( segid "KH " and resid 107 and name HA )) (( segid "KH " and resid 107 and name HB )) 3.200 1.300 1.300 peak 722 spectrum 1 weight 0.10000E+01 volume 0.90471E-03 ppm1 5.546 ppm2 3.937 CV 1 ASSI { 728} ( segid "KH " and resid 107 and name HG2%) (( segid "KH " and resid 107 and name HA )) 2.400 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.52611E-02 ppm1 1.093 ppm2 5.555 CV 1 ASSI { 731} ( segid "KH " and resid 107 and name HG2%) (( segid "KH " and resid 156 and name HB )) 2.800 2.800 3.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.45335E-02 ppm1 1.090 ppm2 1.688 CV 1 ASSI { 734} (( segid "KH " and resid 29 and name HA )) (( segid "KH " and resid 29 and name HB )) 2.900 1.100 1.100 peak 734 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 4.901 ppm2 1.503 CV 1 ASSI { 748} (( segid "KH " and resid 29 and name HG12)) ( segid "KH " and resid 68 and name HG2%) 3.000 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.42572E-02 ppm1 1.212 ppm2 0.793 CV 1 ASSI { 752} ( segid "KH " and resid 73 and name HD1%) (( segid "KH " and resid 73 and name HB )) 2.400 0.700 0.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.78748E-02 ppm1 0.613 ppm2 2.009 CV 1 ASSI { 753} ( segid "KH " and resid 29 and name HG2%) (( segid "KH " and resid 34 and name HA )) 3.800 1.800 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12276E-02 ppm1 0.614 ppm2 2.884 CV 1 ASSI { 757} (( segid "KH " and resid 30 and name HB3 )) ( segid "KH " and resid 68 and name HG2%) 3.900 1.900 1.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.98752E-03 ppm1 1.507 ppm2 0.804 CV 1 OR { 757} (( segid "KH " and resid 30 and name HB3 )) ( segid "KH " and resid 68 and name HG1%) ASSI { 764} (( segid "KH " and resid 30 and name HA )) (( segid "KH " and resid 30 and name HB2 )) 2.900 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.27308E-02 ppm1 4.525 ppm2 2.487 CV 1 ASSI { 775} (( segid "KH " and resid 98 and name HA2 )) (( segid "KH " and resid 101 and name HG3 )) 4.100 2.100 1.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.71373E-03 ppm1 4.106 ppm2 2.308 CV 1 OR { 775} (( segid "KH " and resid 98 and name HA2 )) (( segid "KH " and resid 101 and name HG2 )) ASSI { 776} (( segid "KH " and resid 98 and name HA2 )) (( segid "KH " and resid 101 and name HB2 )) 3.500 1.600 1.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.86245E-03 ppm1 4.106 ppm2 2.123 CV 1 ASSI { 784} (( segid "KH " and resid 99 and name HA )) (( segid "KH " and resid 99 and name HG3 )) 3.300 1.300 1.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.24890E-02 ppm1 4.390 ppm2 2.050 CV 1 OR { 784} (( segid "KH " and resid 99 and name HA )) (( segid "KH " and resid 99 and name HG2 )) ASSI { 789} (( segid "KH " and resid 99 and name HB3 )) (( segid "KH " and resid 99 and name HA )) 2.100 0.500 0.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.10913E-01 ppm1 1.936 ppm2 4.384 CV 1 ASSI { 791} (( segid "KH " and resid 99 and name HB2 )) (( segid "KH " and resid 99 and name HA )) 2.600 0.800 0.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.73081E-02 ppm1 2.343 ppm2 4.391 CV 1 ASSI { 796} (( segid "KH " and resid 99 and name HG3 )) (( segid "KH " and resid 99 and name HD2 )) 2.100 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.12523E-01 ppm1 2.057 ppm2 3.713 CV 1 OR { 796} (( segid "KH " and resid 99 and name HG2 )) (( segid "KH " and resid 99 and name HD3 )) OR { 796} (( segid "KH " and resid 99 and name HG2 )) (( segid "KH " and resid 99 and name HD2 )) OR { 796} (( segid "KH " and resid 99 and name HG3 )) (( segid "KH " and resid 99 and name HD3 )) ASSI { 804} (( segid "KH " and resid 100 and name HA )) (( segid "KH " and resid 100 and name HG3 )) 2.600 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.58426E-02 ppm1 4.375 ppm2 1.370 CV 1 OR { 804} (( segid "KH " and resid 100 and name HA )) (( segid "KH " and resid 100 and name HG2 )) ASSI { 808} (( segid "KH " and resid 101 and name HA )) (( segid "KH " and resid 101 and name HG2 )) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.62064E-02 ppm1 4.375 ppm2 2.333 CV 1 OR { 808} (( segid "KH " and resid 101 and name HA )) (( segid "KH " and resid 101 and name HG3 )) ASSI { 831} (( segid "KH " and resid 102 and name HB2 )) (( segid "KH " and resid 102 and name HG2 )) 2.200 0.600 0.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.97457E-02 ppm1 1.873 ppm2 2.159 CV 1 OR { 831} (( segid "KH " and resid 102 and name HB2 )) (( segid "KH " and resid 102 and name HG3 )) ASSI { 837} (( segid "KH " and resid 102 and name HG2 )) (( segid "KH " and resid 102 and name HB3 )) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.71128E-02 ppm1 2.190 ppm2 1.757 CV 1 OR { 837} (( segid "KH " and resid 102 and name HG3 )) (( segid "KH " and resid 102 and name HB3 )) ASSI { 841} (( segid "KH " and resid 102 and name HA )) (( segid "KH " and resid 102 and name HG3 )) 2.600 0.800 0.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 4.309 ppm2 2.199 CV 1 OR { 841} (( segid "KH " and resid 102 and name HA )) (( segid "KH " and resid 102 and name HG2 )) ASSI { 842} (( segid "KH " and resid 102 and name HA )) (( segid "KH " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.59401E-02 ppm1 4.309 ppm2 1.859 CV 1 ASSI { 843} (( segid "KH " and resid 102 and name HA )) (( segid "KH " and resid 102 and name HB3 )) 2.300 0.700 0.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.62798E-02 ppm1 4.309 ppm2 1.769 CV 1 ASSI { 846} (( segid "KH " and resid 103 and name HA )) (( segid "KH " and resid 103 and name HB )) 3.000 1.100 1.100 peak 846 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 2.765 ppm2 2.040 CV 1 ASSI { 850} (( segid "KH " and resid 103 and name HB )) ( segid "KH " and resid 103 and name HG1%) 2.200 0.600 0.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.76379E-02 ppm1 2.037 ppm2 0.849 CV 1 ASSI { 854} ( segid "KH " and resid 103 and name HG2%) ( segid "KH " and resid 103 and name HG1%) 2.000 0.500 0.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.19291E-01 ppm1 0.512 ppm2 0.860 CV 1 ASSI { 856} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 103 and name HB )) 2.400 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.52882E-02 ppm1 0.512 ppm2 2.049 CV 1 ASSI { 857} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 103 and name HA )) 2.500 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.45137E-02 ppm1 0.512 ppm2 2.777 CV 1 ASSI { 859} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 88 and name HA )) 3.100 1.200 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 0.512 ppm2 3.808 CV 1 ASSI { 862} ( segid "KH " and resid 103 and name HG2%) ( segid "KH " and resid 88 and name HD% ) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.37249E-02 ppm1 0.512 ppm2 7.374 CV 1 ASSI { 865} ( segid "KH " and resid 103 and name HG1%) (( segid "KH " and resid 103 and name HA )) 2.600 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.57376E-02 ppm1 0.859 ppm2 2.747 CV 1 ASSI { 866} ( segid "KH " and resid 103 and name HG1%) ( segid "KH " and resid 88 and name HD% ) 2.800 1.000 1.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.23109E-02 ppm1 0.859 ppm2 7.383 CV 1 ASSI { 867} ( segid "KH " and resid 103 and name HG1%) ( segid "KH " and resid 97 and name HD% ) 3.000 3.000 3.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.33073E-02 ppm1 0.859 ppm2 7.258 CV 1 ASSI { 870} (( segid "KH " and resid 104 and name HB2 )) (( segid "KH " and resid 104 and name HB3 )) 2.100 0.500 0.500 peak 870 spectrum 1 weight 0.10000E+01 volume 0.51732E-02 ppm1 1.603 ppm2 1.483 CV 1 ASSI { 875} (( segid "KH " and resid 104 and name HB2 )) (( segid "KH " and resid 104 and name HE3 )) 4.200 2.200 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.88248E-03 ppm1 1.603 ppm2 2.900 CV 1 OR { 875} (( segid "KH " and resid 104 and name HB2 )) (( segid "KH " and resid 104 and name HE2 )) ASSI { 877} (( segid "KH " and resid 104 and name HB2 )) (( segid "KH " and resid 104 and name HA )) 3.200 1.300 1.300 peak 877 spectrum 1 weight 0.10000E+01 volume 0.15032E-02 ppm1 1.600 ppm2 4.621 CV 1 ASSI { 884} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 159 and name HA )) 3.100 1.200 1.200 peak 884 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 4.633 ppm2 5.558 CV 1 ASSI { 890} (( segid "KH " and resid 104 and name HG3 )) (( segid "KH " and resid 104 and name HB3 )) 2.500 0.800 0.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.40692E-02 ppm1 1.126 ppm2 1.486 CV 1 ASSI { 891} (( segid "KH " and resid 104 and name HG3 )) (( segid "KH " and resid 104 and name HD3 )) 2.500 0.800 0.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.38445E-02 ppm1 1.126 ppm2 1.604 CV 1 OR { 891} (( segid "KH " and resid 104 and name HG3 )) (( segid "KH " and resid 104 and name HB2 )) OR { 891} (( segid "KH " and resid 104 and name HG3 )) (( segid "KH " and resid 104 and name HD2 )) ASSI { 895} (( segid "KH " and resid 104 and name HG3 )) (( segid "KH " and resid 104 and name HA )) 3.600 1.600 1.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.14697E-02 ppm1 1.126 ppm2 4.621 CV 1 ASSI { 897} (( segid "KH " and resid 104 and name HD2 )) (( segid "KH " and resid 104 and name HG2 )) 2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.33879E-02 ppm1 1.641 ppm2 1.210 CV 1 OR { 897} (( segid "KH " and resid 104 and name HD3 )) (( segid "KH " and resid 104 and name HG2 )) ASSI { 898} (( segid "KH " and resid 104 and name HD3 )) (( segid "KH " and resid 104 and name HG3 )) 2.600 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.34196E-02 ppm1 1.641 ppm2 1.142 CV 1 OR { 898} (( segid "KH " and resid 104 and name HD2 )) (( segid "KH " and resid 104 and name HG3 )) ASSI { 902} (( segid "KH " and resid 104 and name HE3 )) (( segid "KH " and resid 104 and name HG2 )) 2.700 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 2.906 ppm2 1.227 CV 1 OR { 902} (( segid "KH " and resid 104 and name HE2 )) (( segid "KH " and resid 104 and name HG2 )) ASSI { 903} (( segid "KH " and resid 104 and name HE3 )) (( segid "KH " and resid 104 and name HG3 )) 2.600 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.35660E-02 ppm1 2.906 ppm2 1.137 CV 1 OR { 903} (( segid "KH " and resid 104 and name HE2 )) (( segid "KH " and resid 104 and name HG3 )) ASSI { 906} (( segid "KH " and resid 105 and name HA )) (( segid "KH " and resid 105 and name HB3 )) 3.200 1.300 1.300 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 4.923 ppm2 1.389 CV 1 ASSI { 907} (( segid "KH " and resid 105 and name HA )) ( segid "KH " and resid 105 and name HD1%) 3.100 1.200 1.200 peak 907 spectrum 1 weight 0.10000E+01 volume 0.39374E-02 ppm1 4.923 ppm2 0.907 CV 1 ASSI { 920} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 105 and name HB2 )) 2.400 0.700 0.700 peak 920 spectrum 1 weight 0.10000E+01 volume 0.45725E-02 ppm1 0.771 ppm2 1.495 CV 1 ASSI { 921} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 91 and name HG )) 2.300 0.700 0.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.42890E-02 ppm1 0.771 ppm2 1.995 CV 1 ASSI { 923} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 28 and name HB3 )) 3.600 3.600 2.400 peak 923 spectrum 1 weight 0.10000E+01 volume 0.63188E-03 ppm1 0.771 ppm2 2.483 CV 1 ASSI { 924} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 88 and name HB2 )) 3.800 1.800 1.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.85465E-03 ppm1 0.771 ppm2 2.835 CV 1 ASSI { 925} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 30 and name HD3 )) 2.700 2.700 3.300 peak 925 spectrum 1 weight 0.10000E+01 volume 0.80605E-03 ppm1 0.771 ppm2 3.175 CV 1 ASSI { 928} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 91 and name HA )) 2.400 2.400 3.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.17540E-02 ppm1 0.771 ppm2 4.143 CV 1 ASSI { 929} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 105 and name HA )) 2.900 1.000 1.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 0.771 ppm2 4.913 CV 1 ASSI { 933} ( segid "KH " and resid 105 and name HD1%) (( segid "KH " and resid 105 and name HG )) 1.800 0.400 0.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.27308E-01 ppm1 0.909 ppm2 0.767 CV 1 ASSI { 934} ( segid "KH " and resid 105 and name HD1%) ( segid "KH " and resid 105 and name HD2%) 2.300 0.600 0.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.90937E-02 ppm1 0.918 ppm2 -0.189 CV 1 ASSI { 935} ( segid "KH " and resid 105 and name HD1%) (( segid "KH " and resid 105 and name HB2 )) 2.400 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.44651E-02 ppm1 0.909 ppm2 1.486 CV 1 ASSI { 936} ( segid "KH " and resid 105 and name HD1%) (( segid "KH " and resid 105 and name HB3 )) 2.700 0.900 0.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.47043E-02 ppm1 0.909 ppm2 1.384 CV 1 ASSI { 943} ( segid "KH " and resid 105 and name HD2%) (( segid "KH " and resid 105 and name HB2 )) 3.000 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.33608E-02 ppm1 -0.194 ppm2 1.493 CV 1 ASSI { 944} ( segid "KH " and resid 105 and name HD2%) (( segid "KH " and resid 91 and name HG )) 3.400 1.400 1.400 peak 944 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 -0.194 ppm2 2.014 CV 1 ASSI { 946} ( segid "KH " and resid 105 and name HD2%) (( segid "KH " and resid 105 and name HA )) 3.000 1.100 1.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.23329E-02 ppm1 -0.194 ppm2 4.914 CV 1 ASSI { 954} (( segid "KH " and resid 108 and name HA )) (( segid "KH " and resid 155 and name HA )) 3.000 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 6.086 ppm2 5.184 CV 1 ASSI { 958} (( segid "KH " and resid 108 and name HA )) (( segid "KH " and resid 155 and name HB3 )) 3.900 1.900 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.63578E-03 ppm1 6.086 ppm2 1.509 CV 1 OR { 958} (( segid "KH " and resid 108 and name HA )) (( segid "KH " and resid 155 and name HD2 )) ASSI { 967} (( segid "KH " and resid 108 and name HB3 )) (( segid "KH " and resid 108 and name HA )) 4.200 2.200 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.13678E-03 ppm1 3.013 ppm2 6.077 CV 1 ASSI { 991} (( segid "KH " and resid 109 and name HG12)) (( segid "KH " and resid 109 and name HA )) 3.200 1.300 1.300 peak 991 spectrum 1 weight 0.10000E+01 volume 0.18116E-02 ppm1 1.354 ppm2 4.653 CV 1 ASSI { 993} ( segid "KH " and resid 109 and name HG2%) ( segid "KH " and resid 109 and name HD1%) 1.800 0.400 0.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.32461E-01 ppm1 0.878 ppm2 0.745 CV 1 ASSI { 994} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 109 and name HG13)) 2.600 0.900 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.11135E-01 ppm1 0.878 ppm2 1.022 CV 1 ASSI { 996} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 109 and name HB )) 2.100 0.500 0.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.12948E-01 ppm1 0.878 ppm2 1.830 CV 1 ASSI { 997} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 109 and name HA )) 2.300 0.700 0.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.64384E-02 ppm1 0.878 ppm2 4.648 CV 1 ASSI { 1000} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 167 and name HG2 )) 2.900 1.100 1.100 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.11854E-02 ppm1 0.878 ppm2 2.500 CV 1 ASSI { 1002} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 153 and name HA )) 2.900 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 5.251 ppm2 4.634 CV 1 ASSI { 1005} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 110 and name HG2 )) 2.900 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 5.252 ppm2 1.613 CV 1 ASSI { 1006} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 110 and name HG3 )) 3.400 1.400 1.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.20598E-02 ppm1 5.251 ppm2 1.359 CV 1 ASSI { 1008} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 110 and name HB3 )) 2.700 0.900 0.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.21099E-02 ppm1 5.252 ppm2 1.565 CV 1 OR { 1008} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 110 and name HG2 )) ASSI { 1012} (( segid "KH " and resid 110 and name HB2 )) (( segid "KH " and resid 110 and name HG3 )) 2.900 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 1.658 ppm2 1.371 CV 1 ASSI { 1017} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 110 and name HB2 )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.18251E-02 ppm1 5.252 ppm2 1.662 CV 1 ASSI { 1018} (( segid "KH " and resid 110 and name HA )) (( segid "KH " and resid 110 and name HB3 )) 2.700 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.18495E-02 ppm1 5.252 ppm2 1.521 CV 1 ASSI { 1021} (( segid "KH " and resid 110 and name HG3 )) (( segid "KH " and resid 110 and name HG2 )) 1.900 0.400 0.400 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.77086E-02 ppm1 1.355 ppm2 1.607 CV 1 ASSI { 1028} (( segid "KH " and resid 110 and name HD3 )) (( segid "KH " and resid 151 and name HG3 )) 3.200 3.200 2.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.35174E-02 ppm1 2.935 ppm2 1.800 CV 1 ASSI { 1029} (( segid "KH " and resid 110 and name HD3 )) (( segid "KH " and resid 110 and name HB2 )) 3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.56031E-02 ppm1 2.933 ppm2 1.647 CV 1 ASSI { 1034} (( segid "KH " and resid 110 and name HD2 )) (( segid "KH " and resid 110 and name HA )) 2.800 1.000 1.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.17117E-02 ppm1 3.008 ppm2 5.240 CV 1 ASSI { 1035} (( segid "KH " and resid 110 and name HD3 )) (( segid "KH " and resid 110 and name HA )) 2.600 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 2.932 ppm2 5.243 CV 1 ASSI { 1044} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 153 and name HB )) 2.100 0.600 0.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.99581E-02 ppm1 0.464 ppm2 1.541 CV 1 ASSI { 1045} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 153 and name HG12)) 2.300 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.66436E-02 ppm1 0.464 ppm2 1.413 CV 1 ASSI { 1046} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 155 and name HG2 )) 3.100 1.200 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.464 ppm2 1.095 CV 1 ASSI { 1047} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 153 and name HG13)) 2.900 1.100 1.100 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.64556E-02 ppm1 0.464 ppm2 0.944 CV 1 ASSI { 1048} ( segid "KH " and resid 153 and name HG2%) ( segid "KH " and resid 153 and name HD1%) 2.000 0.500 0.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.15549E-01 ppm1 0.464 ppm2 0.649 CV 1 ASSI { 1049} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 155 and name HE3 )) 3.400 1.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.14697E-02 ppm1 0.464 ppm2 2.463 CV 1 ASSI { 1050} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 155 and name HE2 )) 3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 0.464 ppm2 2.565 CV 1 ASSI { 1055} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 108 and name HB2 )) 3.800 1.800 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 0.464 ppm2 3.286 CV 1 ASSI { 1056} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 141 and name HD2 )) 3.300 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 0.464 ppm2 3.740 CV 1 OR { 1056} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 141 and name HD3 )) ASSI { 1057} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 154 and name HA )) 3.100 1.200 1.200 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.14208E-02 ppm1 0.464 ppm2 4.227 CV 1 ASSI { 1058} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 153 and name HA )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.52882E-02 ppm1 0.466 ppm2 4.638 CV 1 ASSI { 1059} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 155 and name HA )) 2.900 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.20503E-02 ppm1 0.466 ppm2 5.202 CV 1 ASSI { 1060} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 108 and name HA )) 3.300 1.300 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.13297E-02 ppm1 0.462 ppm2 6.063 CV 1 ASSI { 1061} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 108 and name HD2 )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.68121E-03 ppm1 0.462 ppm2 6.913 CV 1 ASSI { 1067} (( segid "KH " and resid 174 and name HB3 )) (( segid "KH " and resid 174 and name HB2 )) 2.200 0.600 0.600 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.37467E-02 ppm1 1.546 ppm2 1.890 CV 1 ASSI { 1069} (( segid "KH " and resid 153 and name HB )) (( segid "KH " and resid 153 and name HA )) 3.100 1.200 1.200 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 1.545 ppm2 4.632 CV 1 ASSI { 1072} ( segid "KH " and resid 153 and name HD1%) (( segid "KH " and resid 153 and name HG13)) 2.000 0.500 0.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.16553E-01 ppm1 0.648 ppm2 0.940 CV 1 ASSI { 1077} ( segid "KH " and resid 153 and name HD1%) (( segid "KH " and resid 153 and name HA )) 3.300 1.300 1.300 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.34047E-02 ppm1 0.645 ppm2 4.647 CV 1 ASSI { 1078} ( segid "KH " and resid 153 and name HD1%) (( segid "KH " and resid 110 and name HA )) 3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 0.645 ppm2 5.218 CV 1 ASSI { 1079} ( segid "KH " and resid 153 and name HD1%) (( segid "KH " and resid 110 and name HE )) 3.400 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.88125E-03 ppm1 0.645 ppm2 7.571 CV 1 ASSI { 1087} (( segid "KH " and resid 153 and name HG13)) (( segid "KH " and resid 153 and name HB )) 2.500 0.800 0.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.35660E-02 ppm1 0.947 ppm2 1.550 CV 1 ASSI { 1088} (( segid "KH " and resid 153 and name HG13)) (( segid "KH " and resid 153 and name HA )) 2.900 1.000 1.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.19115E-02 ppm1 0.942 ppm2 4.641 CV 1 ASSI { 1089} (( segid "KH " and resid 153 and name HG12)) (( segid "KH " and resid 153 and name HA )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 1.412 ppm2 4.636 CV 1 ASSI { 1095} (( segid "KH " and resid 111 and name HA )) (( segid "KH " and resid 112 and name HD2 )) 3.200 1.200 1.200 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.17073E-02 ppm1 4.893 ppm2 3.942 CV 1 ASSI { 1097} (( segid "KH " and resid 111 and name HA )) (( segid "KH " and resid 111 and name HB )) 2.600 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.25500E-02 ppm1 4.893 ppm2 2.031 CV 1 ASSI { 1098} (( segid "KH " and resid 111 and name HA )) ( segid "KH " and resid 111 and name HG2%) 2.800 1.000 1.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.26697E-02 ppm1 4.893 ppm2 0.563 CV 1 ASSI { 1100} (( segid "KH " and resid 111 and name HA )) ( segid "KH " and resid 115 and name HB% ) 4.000 2.000 2.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 4.893 ppm2 1.366 CV 1 ASSI { 1107} ( segid "KH " and resid 111 and name HG1%) (( segid "KH " and resid 111 and name HB )) 2.200 0.600 0.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.83509E-02 ppm1 0.734 ppm2 2.008 CV 1 ASSI { 1112} ( segid "KH " and resid 111 and name HG2%) ( segid "KH " and resid 116 and name HB% ) 2.400 0.700 0.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.82019E-02 ppm1 0.567 ppm2 1.266 CV 1 ASSI { 1113} ( segid "KH " and resid 111 and name HG2%) (( segid "KH " and resid 111 and name HB )) 2.300 0.600 0.600 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.73180E-02 ppm1 0.567 ppm2 1.986 CV 1 ASSI { 1114} ( segid "KH " and resid 111 and name HG2%) (( segid "KH " and resid 112 and name HD2 )) 2.600 0.800 0.800 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.31655E-02 ppm1 0.567 ppm2 3.925 CV 1 ASSI { 1115} ( segid "KH " and resid 111 and name HG2%) (( segid "KH " and resid 116 and name HA )) 2.900 1.100 1.100 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.20126E-02 ppm1 0.567 ppm2 3.637 CV 1 ASSI { 1120} (( segid "KH " and resid 30 and name HA )) (( segid "KH " and resid 67 and name HD2 )) 2.800 1.000 1.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 4.517 ppm2 1.801 CV 1 OR { 1120} (( segid "KH " and resid 30 and name HA )) (( segid "KH " and resid 67 and name HD3 )) ASSI { 1125} (( segid "KH " and resid 112 and name HB3 )) (( segid "KH " and resid 112 and name HA )) 2.600 0.800 0.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.22857E-02 ppm1 1.836 ppm2 4.524 CV 1 ASSI { 1131} (( segid "KH " and resid 112 and name HG2 )) (( segid "KH " and resid 112 and name HB2 )) 2.400 0.700 0.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.47093E-02 ppm1 2.062 ppm2 2.482 CV 1 OR { 1131} (( segid "KH " and resid 112 and name HG3 )) (( segid "KH " and resid 112 and name HB2 )) ASSI { 1137} (( segid "KH " and resid 112 and name HD2 )) (( segid "KH " and resid 112 and name HA )) 3.500 1.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.99535E-03 ppm1 3.952 ppm2 4.542 CV 1 ASSI { 1146} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 112 and name HB3 )) 3.000 3.000 3.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.39569E-02 ppm1 3.929 ppm2 1.866 CV 1 ASSI { 1147} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 150 and name HG3 )) 3.400 3.400 2.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 3.929 ppm2 2.246 CV 1 OR { 1147} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 150 and name HG2 )) ASSI { 1151} ( segid "KH " and resid 113 and name HB% ) (( segid "KH " and resid 113 and name HA )) 2.100 0.600 0.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.12291E-01 ppm1 1.366 ppm2 3.924 CV 1 ASSI { 1152} ( segid "KH " and resid 113 and name HB% ) (( segid "KH " and resid 151 and name HA )) 3.200 1.300 1.300 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 1.362 ppm2 5.004 CV 1 ASSI { 1154} (( segid "KH " and resid 114 and name HA )) (( segid "KH " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.69271E-02 ppm1 4.216 ppm2 3.931 CV 1 OR { 1154} (( segid "KH " and resid 114 and name HA )) (( segid "KH " and resid 114 and name HB3 )) ASSI { 1157} (( segid "KH " and resid 115 and name HA )) (( segid "KH " and resid 118 and name HB3 )) 3.200 1.300 1.300 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 4.503 ppm2 1.837 CV 1 OR { 1157} (( segid "KH " and resid 115 and name HA )) (( segid "KH " and resid 118 and name HB2 )) ASSI { 1158} (( segid "KH " and resid 115 and name HA )) (( segid "KH " and resid 118 and name HG2 )) 3.400 1.500 1.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.92256E-03 ppm1 4.499 ppm2 1.671 CV 1 OR { 1158} (( segid "KH " and resid 115 and name HA )) (( segid "KH " and resid 118 and name HG3 )) ASSI { 1160} (( segid "KH " and resid 115 and name HA )) ( segid "KH " and resid 177 and name HG2%) 3.100 1.200 1.200 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.98752E-03 ppm1 4.497 ppm2 0.903 CV 1 ASSI { 1166} ( segid "KH " and resid 115 and name HB% ) ( segid "KH " and resid 177 and name HG1%) 2.400 0.700 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.61820E-02 ppm1 1.364 ppm2 0.988 CV 1 ASSI { 1168} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 112 and name HG3 )) 2.700 0.900 0.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.34097E-02 ppm1 1.364 ppm2 2.033 CV 1 OR { 1168} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 112 and name HG2 )) ASSI { 1169} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.13265E-02 ppm1 1.364 ppm2 2.512 CV 1 ASSI { 1171} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 115 and name HA )) 2.100 0.500 0.500 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 1.364 ppm2 4.492 CV 1 ASSI { 1178} ( segid "KH " and resid 116 and name HB% ) ( segid "KH " and resid 152 and name HG2%) 2.000 0.500 0.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.12823E-01 ppm1 1.257 ppm2 0.568 CV 1 ASSI { 1179} ( segid "KH " and resid 116 and name HB% ) (( segid "KH " and resid 116 and name HA )) 2.200 0.600 0.600 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.96578E-02 ppm1 1.257 ppm2 3.625 CV 1 ASSI { 1181} (( segid "KH " and resid 120 and name HB )) (( segid "KH " and resid 120 and name HG13)) 3.100 1.200 1.200 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 1.728 ppm2 1.542 CV 1 OR { 1181} (( segid "KH " and resid 120 and name HB )) (( segid "KH " and resid 120 and name HG12)) ASSI { 1183} (( segid "KH " and resid 120 and name HB )) ( segid "KH " and resid 120 and name HD1%) 3.100 1.200 1.200 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 1.728 ppm2 0.713 CV 1 ASSI { 1184} (( segid "KH " and resid 120 and name HB )) (( segid "KH " and resid 120 and name HA )) 3.100 1.200 1.200 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.14164E-02 ppm1 1.728 ppm2 3.845 CV 1 ASSI { 1188} ( segid "KH " and resid 120 and name HG2%) ( segid "KH " and resid 120 and name HD1%) 2.200 0.600 0.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.10837E-01 ppm1 0.995 ppm2 0.721 CV 1 ASSI { 1189} ( segid "KH " and resid 120 and name HG2%) (( segid "KH " and resid 120 and name HG12)) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.46019E-02 ppm1 0.995 ppm2 1.545 CV 1 OR { 1189} ( segid "KH " and resid 120 and name HG2%) (( segid "KH " and resid 120 and name HG13)) ASSI { 1190} ( segid "KH " and resid 120 and name HG2%) (( segid "KH " and resid 120 and name HB )) 2.400 0.700 0.700 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.54884E-02 ppm1 0.995 ppm2 1.733 CV 1 ASSI { 1191} ( segid "KH " and resid 120 and name HG2%) (( segid "KH " and resid 127 and name HB )) 3.200 1.300 1.300 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.14299E-02 ppm1 0.995 ppm2 2.225 CV 1 ASSI { 1192} ( segid "KH " and resid 120 and name HG2%) (( segid "KH " and resid 120 and name HA )) 2.400 0.700 0.700 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.70246E-02 ppm1 0.992 ppm2 3.837 CV 1 ASSI { 1193} ( segid "KH " and resid 162 and name HB% ) (( segid "KH " and resid 162 and name HA )) 2.400 0.700 0.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.55152E-02 ppm1 0.992 ppm2 4.050 CV 1 ASSI { 1194} ( segid "KH " and resid 162 and name HB% ) (( segid "KH " and resid 134 and name HA )) 2.800 2.800 3.200 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.30117E-02 ppm1 0.992 ppm2 4.304 CV 1 ASSI { 1196} (( segid "KH " and resid 118 and name HB3 )) (( segid "KH " and resid 118 and name HD2 )) 2.700 0.900 0.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.33608E-02 ppm1 1.848 ppm2 3.163 CV 1 OR { 1196} (( segid "KH " and resid 118 and name HB3 )) (( segid "KH " and resid 118 and name HD3 )) OR { 1196} (( segid "KH " and resid 118 and name HB2 )) (( segid "KH " and resid 118 and name HD2 )) OR { 1196} (( segid "KH " and resid 118 and name HB2 )) (( segid "KH " and resid 118 and name HD3 )) ASSI { 1197} (( segid "KH " and resid 118 and name HB2 )) (( segid "KH " and resid 118 and name HA )) 2.400 0.700 0.700 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.55763E-02 ppm1 1.848 ppm2 4.191 CV 1 OR { 1197} (( segid "KH " and resid 118 and name HB3 )) (( segid "KH " and resid 118 and name HA )) ASSI { 1202} (( segid "KH " and resid 118 and name HG3 )) (( segid "KH " and resid 118 and name HA )) 2.500 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.56031E-02 ppm1 1.664 ppm2 4.185 CV 1 OR { 1202} (( segid "KH " and resid 118 and name HG2 )) (( segid "KH " and resid 118 and name HA )) ASSI { 1205} (( segid "KH " and resid 171 and name HD3 )) (( segid "KH " and resid 171 and name HG3 )) 1.900 0.500 0.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.19894E-01 ppm1 3.165 ppm2 1.700 CV 1 OR { 1205} (( segid "KH " and resid 171 and name HD2 )) (( segid "KH " and resid 171 and name HG3 )) ASSI { 1215} (( segid "KH " and resid 119 and name HB )) (( segid "KH " and resid 119 and name HA )) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 2.124 ppm2 3.673 CV 1 ASSI { 1217} ( segid "KH " and resid 119 and name HG1%) (( segid "KH " and resid 119 and name HB )) 2.100 0.600 0.600 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.11368E-01 ppm1 0.852 ppm2 2.157 CV 1 ASSI { 1218} ( segid "KH " and resid 119 and name HG1%) (( segid "KH " and resid 119 and name HA )) 2.700 0.900 0.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.60918E-02 ppm1 0.849 ppm2 3.659 CV 1 ASSI { 1225} (( segid "KH " and resid 24 and name HB )) ( segid "KH " and resid 25 and name HG2%) 3.900 1.900 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.67193E-03 ppm1 3.762 ppm2 0.840 CV 1 OR { 1225} (( segid "KH " and resid 24 and name HB )) ( segid "KH " and resid 25 and name HG1%) ASSI { 1229} (( segid "KH " and resid 128 and name HB3 )) (( segid "KH " and resid 128 and name HA )) 2.400 0.700 0.700 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.74059E-02 ppm1 2.874 ppm2 4.512 CV 1 OR { 1229} (( segid "KH " and resid 128 and name HB2 )) (( segid "KH " and resid 128 and name HA )) ASSI { 1232} (( segid "KH " and resid 128 and name HB3 )) (( segid "KH " and resid 125 and name HA )) 2.500 0.800 0.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.57914E-02 ppm1 2.874 ppm2 4.145 CV 1 OR { 1232} (( segid "KH " and resid 128 and name HB2 )) (( segid "KH " and resid 125 and name HA )) ASSI { 1235} (( segid "KH " and resid 130 and name HB3 )) (( segid "KH " and resid 130 and name HB2 )) 2.200 0.600 0.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.31533E-02 ppm1 1.447 ppm2 1.915 CV 1 ASSI { 1239} (( segid "KH " and resid 130 and name HB2 )) (( segid "KH " and resid 127 and name HA )) 3.000 1.100 1.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 1.916 ppm2 3.931 CV 1 ASSI { 1240} (( segid "KH " and resid 130 and name HB2 )) (( segid "KH " and resid 130 and name HA )) 3.300 1.300 1.300 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.81702E-03 ppm1 1.916 ppm2 4.074 CV 1 ASSI { 1241} (( segid "KH " and resid 130 and name HB3 )) (( segid "KH " and resid 127 and name HA )) 3.500 1.500 1.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.92913E-03 ppm1 1.447 ppm2 3.941 CV 1 ASSI { 1242} (( segid "KH " and resid 130 and name HB3 )) (( segid "KH " and resid 130 and name HA )) 3.100 1.200 1.200 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.12511E-02 ppm1 1.447 ppm2 4.064 CV 1 ASSI { 1243} (( segid "KH " and resid 130 and name HB2 )) (( segid "KH " and resid 130 and name HG )) 2.800 1.000 1.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.21726E-02 ppm1 1.916 ppm2 1.724 CV 1 ASSI { 1244} (( segid "KH " and resid 130 and name HB3 )) (( segid "KH " and resid 130 and name HG )) 3.000 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 1.447 ppm2 1.724 CV 1 ASSI { 1247} ( segid "KH " and resid 130 and name HD2%) ( segid "KH " and resid 136 and name HB% ) 2.300 2.300 3.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.12166E-01 ppm1 0.779 ppm2 0.919 CV 1 ASSI { 1248} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.55763E-02 ppm1 0.825 ppm2 1.441 CV 1 ASSI { 1249} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 130 and name HG )) 2.300 0.600 0.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.75939E-02 ppm1 0.825 ppm2 1.736 CV 1 ASSI { 1250} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 130 and name HB2 )) 2.200 0.600 0.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.70077E-02 ppm1 0.825 ppm2 1.906 CV 1 ASSI { 1251} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 130 and name HB3 )) 2.400 0.700 0.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.45969E-02 ppm1 0.779 ppm2 1.441 CV 1 ASSI { 1253} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 127 and name HA )) 2.700 0.900 0.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.47777E-02 ppm1 0.825 ppm2 3.935 CV 1 ASSI { 1254} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 127 and name HA )) 3.100 1.200 1.200 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.20439E-02 ppm1 0.777 ppm2 3.945 CV 1 ASSI { 1256} (( segid "KH " and resid 131 and name HA )) (( segid "KH " and resid 131 and name HG2 )) 2.900 1.100 1.100 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 4.303 ppm2 2.660 CV 1 ASSI { 1257} (( segid "KH " and resid 131 and name HA )) (( segid "KH " and resid 131 and name HG3 )) 3.300 1.300 1.300 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.14120E-02 ppm1 4.303 ppm2 2.452 CV 1 ASSI { 1258} (( segid "KH " and resid 131 and name HA )) (( segid "KH " and resid 131 and name HB2 )) 2.700 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.31655E-02 ppm1 4.303 ppm2 2.193 CV 1 OR { 1258} (( segid "KH " and resid 131 and name HA )) (( segid "KH " and resid 131 and name HB3 )) ASSI { 1260} (( segid "KH " and resid 131 and name HB2 )) (( segid "KH " and resid 131 and name HG2 )) 3.000 1.100 1.100 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 2.201 ppm2 2.658 CV 1 OR { 1260} (( segid "KH " and resid 131 and name HB3 )) (( segid "KH " and resid 131 and name HG2 )) ASSI { 1264} (( segid "KH " and resid 131 and name HG3 )) (( segid "KH " and resid 131 and name HG2 )) 2.200 0.600 0.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.34807E-02 ppm1 2.466 ppm2 2.669 CV 1 ASSI { 1266} (( segid "KH " and resid 131 and name HG3 )) (( segid "KH " and resid 131 and name HB3 )) 2.400 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.61357E-02 ppm1 2.466 ppm2 2.196 CV 1 OR { 1266} (( segid "KH " and resid 131 and name HG3 )) (( segid "KH " and resid 131 and name HB2 )) ASSI { 1268} (( segid "KH " and resid 131 and name HG2 )) ( segid "KH " and resid 136 and name HB% ) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.66023E-03 ppm1 2.661 ppm2 0.975 CV 1 ASSI { 1273} (( segid "KH " and resid 133 and name HB2 )) (( segid "KH " and resid 133 and name HB3 )) 2.200 0.600 0.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.34146E-02 ppm1 1.778 ppm2 1.613 CV 1 ASSI { 1274} (( segid "KH " and resid 133 and name HB2 )) ( segid "KH " and resid 133 and name HD1%) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.25305E-02 ppm1 1.778 ppm2 0.856 CV 1 OR { 1274} (( segid "KH " and resid 133 and name HB2 )) ( segid "KH " and resid 133 and name HD2%) ASSI { 1275} (( segid "KH " and resid 133 and name HB2 )) ( segid "KH " and resid 134 and name HG2%) 4.300 2.400 1.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.92351E-03 ppm1 1.778 ppm2 1.105 CV 1 ASSI { 1277} (( segid "KH " and resid 133 and name HB2 )) (( segid "KH " and resid 133 and name HA )) 2.900 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.15786E-02 ppm1 1.778 ppm2 4.286 CV 1 ASSI { 1278} (( segid "KH " and resid 133 and name HB3 )) (( segid "KH " and resid 133 and name HA )) 3.000 1.100 1.100 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.26966E-02 ppm1 1.614 ppm2 4.286 CV 1 ASSI { 1279} (( segid "KH " and resid 133 and name HB3 )) (( segid "KH " and resid 130 and name HA )) 3.200 1.300 1.300 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.72813E-03 ppm1 1.614 ppm2 4.085 CV 1 ASSI { 1280} (( segid "KH " and resid 133 and name HB3 )) ( segid "KH " and resid 134 and name HG2%) 3.100 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 1.614 ppm2 1.106 CV 1 ASSI { 1284} ( segid "KH " and resid 133 and name HD1%) (( segid "KH " and resid 133 and name HA )) 2.800 1.000 1.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.26160E-02 ppm1 0.875 ppm2 4.278 CV 1 ASSI { 1288} ( segid "KH " and resid 133 and name HD2%) (( segid "KH " and resid 133 and name HA )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.46604E-02 ppm1 0.842 ppm2 4.294 CV 1 ASSI { 1293} ( segid "KH " and resid 135 and name HB% ) (( segid "KH " and resid 135 and name HA )) 2.000 0.500 0.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.19367E-01 ppm1 1.558 ppm2 4.154 CV 1 ASSI { 1296} ( segid "KH " and resid 175 and name HB% ) (( segid "KH " and resid 175 and name HA )) 2.100 0.600 0.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.14777E-01 ppm1 1.545 ppm2 4.156 CV 1 ASSI { 1297} ( segid "KH " and resid 175 and name HB% ) (( segid "KH " and resid 172 and name HA )) 2.700 0.900 0.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.40253E-02 ppm1 1.545 ppm2 4.448 CV 1 ASSI { 1299} ( segid "KH " and resid 136 and name HB% ) (( segid "KH " and resid 136 and name HA )) 2.500 0.800 0.800 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.38373E-02 ppm1 0.959 ppm2 4.554 CV 1 ASSI { 1304} (( segid "KH " and resid 137 and name HB3 )) (( segid "KH " and resid 137 and name HA )) 2.900 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.26868E-02 ppm1 2.027 ppm2 4.448 CV 1 ASSI { 1305} (( segid "KH " and resid 137 and name HB2 )) (( segid "KH " and resid 137 and name HA )) 2.600 0.800 0.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.24425E-02 ppm1 2.197 ppm2 4.448 CV 1 ASSI { 1309} (( segid "KH " and resid 138 and name HA )) (( segid "KH " and resid 138 and name HB )) 3.000 1.100 1.100 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.14963E-02 ppm1 4.921 ppm2 1.792 CV 1 ASSI { 1311} ( segid "KH " and resid 138 and name HG1%) (( segid "KH " and resid 138 and name HB )) 2.100 0.500 0.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.13925E-01 ppm1 0.710 ppm2 1.802 CV 1 ASSI { 1312} ( segid "KH " and resid 138 and name HG1%) (( segid "KH " and resid 138 and name HA )) 2.500 0.800 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.49168E-02 ppm1 0.712 ppm2 4.913 CV 1 ASSI { 1314} ( segid "KH " and resid 138 and name HG2%) (( segid "KH " and resid 138 and name HB )) 2.200 0.600 0.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.88664E-02 ppm1 0.630 ppm2 1.801 CV 1 ASSI { 1315} ( segid "KH " and resid 138 and name HG2%) (( segid "KH " and resid 138 and name HA )) 2.600 0.800 0.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.38373E-02 ppm1 0.624 ppm2 4.905 CV 1 ASSI { 1316} (( segid "KH " and resid 138 and name HA )) (( segid "KH " and resid 156 and name HA )) 2.800 1.000 1.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.19780E-02 ppm1 4.917 ppm2 5.046 CV 1 ASSI { 1321} ( segid "KH " and resid 139 and name HG1%) (( segid "KH " and resid 139 and name HB )) 1.900 0.400 0.400 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.24645E-01 ppm1 0.802 ppm2 1.805 CV 1 ASSI { 1323} ( segid "KH " and resid 139 and name HG2%) (( segid "KH " and resid 139 and name HA )) 2.000 0.500 0.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.21602E-01 ppm1 0.801 ppm2 4.255 CV 1 OR { 1323} ( segid "KH " and resid 139 and name HG1%) (( segid "KH " and resid 139 and name HA )) ASSI { 1325} (( segid "KH " and resid 139 and name HA )) (( segid "KH " and resid 139 and name HB )) 2.900 1.000 1.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.19181E-02 ppm1 4.255 ppm2 1.799 CV 1 ASSI { 1332} (( segid "KH " and resid 140 and name HA )) (( segid "KH " and resid 154 and name HA )) 2.900 1.000 1.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 4.635 ppm2 4.220 CV 1 ASSI { 1335} (( segid "KH " and resid 140 and name HA )) ( segid "KH " and resid 116 and name HB% ) 3.200 1.300 1.300 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 4.638 ppm2 1.238 CV 1 ASSI { 1340} ( segid "KH " and resid 140 and name HG1%) (( segid "KH " and resid 140 and name HB )) 2.100 0.500 0.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.13427E-01 ppm1 0.786 ppm2 2.043 CV 1 ASSI { 1341} ( segid "KH " and resid 140 and name HG1%) (( segid "KH " and resid 140 and name HA )) 2.600 0.800 0.800 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.45725E-02 ppm1 0.781 ppm2 4.636 CV 1 ASSI { 1343} (( segid "KH " and resid 141 and name HA )) (( segid "KH " and resid 141 and name HB2 )) 3.000 1.100 1.100 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.26257E-02 ppm1 4.247 ppm2 2.322 CV 1 ASSI { 1344} (( segid "KH " and resid 141 and name HA )) (( segid "KH " and resid 141 and name HB3 )) 2.400 0.700 0.700 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.36053E-02 ppm1 4.247 ppm2 1.735 CV 1 ASSI { 1345} (( segid "KH " and resid 141 and name HA )) ( segid "KH " and resid 139 and name HG2%) 2.900 1.100 1.100 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.21978E-02 ppm1 4.247 ppm2 0.793 CV 1 OR { 1345} (( segid "KH " and resid 141 and name HA )) ( segid "KH " and resid 139 and name HG1%) ASSI { 1347} (( segid "KH " and resid 141 and name HB2 )) (( segid "KH " and resid 141 and name HB3 )) 2.200 0.600 0.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.39007E-02 ppm1 2.319 ppm2 1.734 CV 1 ASSI { 1355} (( segid "KH " and resid 141 and name HD3 )) (( segid "KH " and resid 155 and name HE2 )) 4.300 2.300 1.700 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.37077E-03 ppm1 3.719 ppm2 2.594 CV 1 OR { 1355} (( segid "KH " and resid 141 and name HD2 )) (( segid "KH " and resid 155 and name HE2 )) ASSI { 1357} (( segid "KH " and resid 141 and name HD3 )) (( segid "KH " and resid 141 and name HB3 )) 3.300 1.300 1.300 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.19093E-02 ppm1 3.719 ppm2 1.728 CV 1 OR { 1357} (( segid "KH " and resid 141 and name HD2 )) (( segid "KH " and resid 141 and name HB3 )) ASSI { 1361} (( segid "KH " and resid 142 and name HD3 )) (( segid "KH " and resid 142 and name HG2 )) 2.200 0.600 0.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10310E-01 ppm1 3.180 ppm2 1.857 CV 1 OR { 1361} (( segid "KH " and resid 142 and name HD2 )) (( segid "KH " and resid 142 and name HG2 )) OR { 1361} (( segid "KH " and resid 142 and name HD3 )) (( segid "KH " and resid 142 and name HG3 )) OR { 1361} (( segid "KH " and resid 142 and name HD2 )) (( segid "KH " and resid 142 and name HG3 )) ASSI { 1365} (( segid "KH " and resid 142 and name HB2 )) (( segid "KH " and resid 142 and name HD2 )) 2.900 1.100 1.100 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.27967E-02 ppm1 1.767 ppm2 3.172 CV 1 OR { 1365} (( segid "KH " and resid 142 and name HB3 )) (( segid "KH " and resid 142 and name HD2 )) OR { 1365} (( segid "KH " and resid 142 and name HB2 )) (( segid "KH " and resid 142 and name HD3 )) OR { 1365} (( segid "KH " and resid 142 and name HB3 )) (( segid "KH " and resid 142 and name HD3 )) ASSI { 1368} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 142 and name HD2 )) 2.700 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.33218E-02 ppm1 4.251 ppm2 3.177 CV 1 OR { 1368} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 142 and name HD3 )) ASSI { 1369} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 142 and name HG2 )) 2.400 0.700 0.700 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.92183E-02 ppm1 4.251 ppm2 1.838 CV 1 OR { 1369} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 142 and name HG3 )) ASSI { 1370} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 142 and name HB2 )) 2.200 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.10764E-01 ppm1 4.251 ppm2 1.739 CV 1 OR { 1370} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 142 and name HB3 )) ASSI { 1371} (( segid "KH " and resid 118 and name HD3 )) (( segid "KH " and resid 118 and name HG3 )) 1.900 0.400 0.400 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.23019E-01 ppm1 3.180 ppm2 1.688 CV 1 OR { 1371} (( segid "KH " and resid 118 and name HD2 )) (( segid "KH " and resid 118 and name HG2 )) OR { 1371} (( segid "KH " and resid 118 and name HD3 )) (( segid "KH " and resid 118 and name HG2 )) OR { 1371} (( segid "KH " and resid 118 and name HD2 )) (( segid "KH " and resid 118 and name HG3 )) ASSI { 1374} (( segid "KH " and resid 143 and name HB3 )) (( segid "KH " and resid 143 and name HA )) 2.600 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.49168E-02 ppm1 2.629 ppm2 4.416 CV 1 ASSI { 1377} (( segid "KH " and resid 143 and name HA )) (( segid "KH " and resid 143 and name HB2 )) 2.500 0.800 0.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.62431E-02 ppm1 4.424 ppm2 2.709 CV 1 ASSI { 1382} (( segid "KH " and resid 145 and name HB )) (( segid "KH " and resid 145 and name HA )) 2.700 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.24621E-02 ppm1 4.042 ppm2 4.613 CV 1 ASSI { 1384} ( segid "KH " and resid 145 and name HG2%) (( segid "KH " and resid 146 and name HD3 )) 3.200 1.300 1.300 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.44135E-02 ppm1 1.247 ppm2 3.622 CV 1 ASSI { 1385} ( segid "KH " and resid 145 and name HG2%) (( segid "KH " and resid 145 and name HB )) 2.000 0.500 0.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.18387E-01 ppm1 1.247 ppm2 4.032 CV 1 ASSI { 1386} ( segid "KH " and resid 145 and name HG2%) (( segid "KH " and resid 145 and name HA )) 2.400 0.700 0.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.80995E-02 ppm1 1.247 ppm2 4.617 CV 1 ASSI { 1387} ( segid "KH " and resid 145 and name HG2%) (( segid "KH " and resid 144 and name HA )) 2.900 1.100 1.100 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.27088E-02 ppm1 1.247 ppm2 4.373 CV 1 ASSI { 1411} (( segid "KH " and resid 147 and name HB3 )) (( segid "KH " and resid 147 and name HB2 )) 2.700 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.15852E-02 ppm1 2.783 ppm2 3.261 CV 1 ASSI { 1415} (( segid "KH " and resid 147 and name HA )) (( segid "KH " and resid 147 and name HB2 )) 2.800 1.000 1.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.27136E-02 ppm1 4.562 ppm2 3.256 CV 1 ASSI { 1421} (( segid "KH " and resid 148 and name HG2 )) (( segid "KH " and resid 148 and name HA )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.66436E-02 ppm1 2.272 ppm2 4.185 CV 1 ASSI { 1424} (( segid "KH " and resid 148 and name HB2 )) (( segid "KH " and resid 148 and name HA )) 2.100 0.500 0.500 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.14618E-01 ppm1 2.038 ppm2 4.185 CV 1 OR { 1424} (( segid "KH " and resid 148 and name HB3 )) (( segid "KH " and resid 148 and name HA )) ASSI { 1427} (( segid "KH " and resid 148 and name HA )) (( segid "KH " and resid 148 and name HG3 )) 2.400 0.700 0.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.62332E-02 ppm1 4.184 ppm2 2.221 CV 1 ASSI { 1429} (( segid "KH " and resid 149 and name HA )) (( segid "KH " and resid 149 and name HB2 )) 2.600 0.800 0.800 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.35614E-02 ppm1 4.948 ppm2 2.923 CV 1 ASSI { 1430} (( segid "KH " and resid 149 and name HA )) (( segid "KH " and resid 149 and name HB3 )) 2.900 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.30361E-02 ppm1 4.948 ppm2 2.621 CV 1 ASSI { 1435} (( segid "KH " and resid 149 and name HB3 )) (( segid "KH " and resid 149 and name HB2 )) 2.200 0.600 0.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.43891E-02 ppm1 2.621 ppm2 2.919 CV 1 ASSI { 1438} (( segid "KH " and resid 149 and name HB2 )) (( segid "KH " and resid 148 and name HG2 )) 3.100 1.200 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 2.923 ppm2 2.274 CV 1 ASSI { 1444} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 150 and name HB2 )) 2.100 0.600 0.600 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.14670E-01 ppm1 2.229 ppm2 2.400 CV 1 OR { 1444} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 150 and name HB3 )) OR { 1444} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 150 and name HB3 )) OR { 1444} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 150 and name HB2 )) ASSI { 1445} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 150 and name HA )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.55958E-02 ppm1 2.229 ppm2 3.789 CV 1 OR { 1445} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 150 and name HA )) ASSI { 1446} (( segid "KH " and resid 150 and name HG3 )) ( segid "KH " and resid 113 and name HB% ) 3.000 1.100 1.100 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.29262E-02 ppm1 2.229 ppm2 1.363 CV 1 OR { 1446} (( segid "KH " and resid 150 and name HG2 )) ( segid "KH " and resid 113 and name HB% ) ASSI { 1447} (( segid "KH " and resid 150 and name HB3 )) ( segid "KH " and resid 113 and name HB% ) 3.600 1.700 1.700 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.70051E-03 ppm1 2.390 ppm2 1.364 CV 1 OR { 1447} (( segid "KH " and resid 150 and name HB2 )) ( segid "KH " and resid 113 and name HB% ) ASSI { 1449} (( segid "KH " and resid 150 and name HA )) (( segid "KH " and resid 150 and name HB3 )) 2.900 1.100 1.100 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.16673E-02 ppm1 3.787 ppm2 2.377 CV 1 OR { 1449} (( segid "KH " and resid 150 and name HA )) (( segid "KH " and resid 150 and name HB2 )) ASSI { 1452} (( segid "KH " and resid 151 and name HA )) (( segid "KH " and resid 112 and name HA )) 3.100 1.200 1.200 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.15251E-02 ppm1 5.033 ppm2 4.495 CV 1 ASSI { 1454} (( segid "KH " and resid 151 and name HA )) (( segid "KH " and resid 151 and name HG3 )) 2.600 0.900 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.24020E-02 ppm1 5.033 ppm2 1.803 CV 1 ASSI { 1456} (( segid "KH " and resid 151 and name HG2 )) (( segid "KH " and resid 151 and name HG3 )) 2.100 0.500 0.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.47215E-02 ppm1 2.317 ppm2 1.802 CV 1 ASSI { 1457} (( segid "KH " and resid 151 and name HG2 )) (( segid "KH " and resid 151 and name HA )) 3.300 1.400 1.400 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.14587E-02 ppm1 2.317 ppm2 5.020 CV 1 ASSI { 1465} (( segid "KH " and resid 152 and name HB )) (( segid "KH " and resid 144 and name HG3 )) 2.400 0.700 0.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.54712E-02 ppm1 1.991 ppm2 2.103 CV 1 OR { 1465} (( segid "KH " and resid 152 and name HB )) (( segid "KH " and resid 144 and name HG2 )) ASSI { 1466} (( segid "KH " and resid 152 and name HB )) (( segid "KH " and resid 152 and name HA )) 2.700 0.900 0.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.21414E-02 ppm1 1.984 ppm2 4.589 CV 1 ASSI { 1473} ( segid "KH " and resid 152 and name HG1%) (( segid "KH " and resid 152 and name HA )) 2.400 0.700 0.700 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.64823E-02 ppm1 0.654 ppm2 4.595 CV 1 ASSI { 1476} ( segid "KH " and resid 152 and name HG2%) (( segid "KH " and resid 152 and name HA )) 3.000 1.100 1.100 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.32779E-02 ppm1 0.568 ppm2 4.592 CV 1 ASSI { 1478} (( segid "KH " and resid 154 and name HB )) (( segid "KH " and resid 154 and name HA )) 2.600 0.800 0.800 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.32999E-02 ppm1 1.855 ppm2 4.253 CV 1 ASSI { 1490} ( segid "KH " and resid 154 and name HG2%) (( segid "KH " and resid 154 and name HB )) 2.100 0.600 0.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.12985E-01 ppm1 0.705 ppm2 1.850 CV 1 ASSI { 1491} ( segid "KH " and resid 154 and name HG2%) (( segid "KH " and resid 154 and name HA )) 2.400 0.700 0.700 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.58793E-02 ppm1 0.705 ppm2 4.233 CV 1 ASSI { 1497} (( segid "KH " and resid 155 and name HA )) (( segid "KH " and resid 155 and name HB2 )) 3.300 1.300 1.300 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.13390E-02 ppm1 5.185 ppm2 1.647 CV 1 ASSI { 1498} (( segid "KH " and resid 155 and name HA )) (( segid "KH " and resid 155 and name HB3 )) 2.700 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.17296E-02 ppm1 5.185 ppm2 1.505 CV 1 ASSI { 1499} (( segid "KH " and resid 155 and name HA )) (( segid "KH " and resid 155 and name HG2 )) 3.800 1.800 1.800 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.75034E-03 ppm1 5.185 ppm2 1.065 CV 1 ASSI { 1501} (( segid "KH " and resid 155 and name HA )) (( segid "KH " and resid 155 and name HG3 )) 3.100 1.200 1.200 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.96138E-03 ppm1 5.185 ppm2 0.665 CV 1 ASSI { 1510} (( segid "KH " and resid 155 and name HB2 )) (( segid "KH " and resid 155 and name HB3 )) 2.300 0.700 0.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.25818E-02 ppm1 1.650 ppm2 1.497 CV 1 ASSI { 1520} (( segid "KH " and resid 155 and name HD3 )) (( segid "KH " and resid 155 and name HG3 )) 3.200 1.300 1.300 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 1.435 ppm2 0.668 CV 1 ASSI { 1524} (( segid "KH " and resid 155 and name HE3 )) (( segid "KH " and resid 155 and name HD2 )) 2.500 0.800 0.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.29164E-02 ppm1 2.458 ppm2 1.497 CV 1 ASSI { 1525} (( segid "KH " and resid 155 and name HE3 )) (( segid "KH " and resid 155 and name HD3 )) 2.700 0.900 0.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 2.458 ppm2 1.428 CV 1 ASSI { 1526} (( segid "KH " and resid 155 and name HE3 )) (( segid "KH " and resid 155 and name HG2 )) 3.300 1.400 1.400 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.11333E-02 ppm1 2.455 ppm2 1.090 CV 1 ASSI { 1527} (( segid "KH " and resid 155 and name HE3 )) ( segid "KH " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.24841E-02 ppm1 2.459 ppm2 0.771 CV 1 ASSI { 1528} (( segid "KH " and resid 155 and name HE3 )) (( segid "KH " and resid 155 and name HG3 )) 3.300 1.400 1.400 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 2.458 ppm2 0.661 CV 1 ASSI { 1530} (( segid "KH " and resid 155 and name HE2 )) (( segid "KH " and resid 155 and name HE3 )) 1.800 0.400 0.400 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.96333E-02 ppm1 2.568 ppm2 2.462 CV 1 ASSI { 1531} (( segid "KH " and resid 155 and name HE2 )) (( segid "KH " and resid 155 and name HD2 )) 2.600 0.800 0.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.28724E-02 ppm1 2.569 ppm2 1.502 CV 1 ASSI { 1532} (( segid "KH " and resid 155 and name HE2 )) (( segid "KH " and resid 155 and name HD3 )) 2.900 1.000 1.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.22513E-02 ppm1 2.568 ppm2 1.428 CV 1 ASSI { 1533} (( segid "KH " and resid 155 and name HE2 )) (( segid "KH " and resid 155 and name HG2 )) 3.200 1.300 1.300 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.11021E-02 ppm1 2.567 ppm2 1.097 CV 1 ASSI { 1534} (( segid "KH " and resid 155 and name HE2 )) ( segid "KH " and resid 139 and name HG1%) 3.100 1.200 1.200 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.26282E-02 ppm1 2.568 ppm2 0.778 CV 1 ASSI { 1535} (( segid "KH " and resid 155 and name HE2 )) (( segid "KH " and resid 155 and name HG3 )) 2.900 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.14164E-02 ppm1 2.568 ppm2 0.667 CV 1 ASSI { 1537} (( segid "KH " and resid 155 and name HE2 )) (( segid "KH " and resid 141 and name HB3 )) 3.600 1.600 1.600 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.13898E-02 ppm1 2.568 ppm2 1.721 CV 1 ASSI { 1541} (( segid "KH " and resid 156 and name HA )) (( segid "KH " and resid 156 and name HB )) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 5.045 ppm2 1.658 CV 1 ASSI { 1542} (( segid "KH " and resid 156 and name HA )) ( segid "KH " and resid 156 and name HD1%) 3.200 1.300 1.300 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.44211E-02 ppm1 5.045 ppm2 0.705 CV 1 ASSI { 1548} ( segid "KH " and resid 156 and name HD1%) ( segid "KH " and resid 156 and name HG2%) 1.900 0.400 0.400 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.19316E-01 ppm1 0.714 ppm2 0.831 CV 1 ASSI { 1552} ( segid "KH " and resid 156 and name HD1%) (( segid "KH " and resid 107 and name HB )) 2.900 1.000 1.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.26257E-02 ppm1 0.710 ppm2 3.942 CV 1 ASSI { 1554} ( segid "KH " and resid 156 and name HG2%) (( segid "KH " and resid 156 and name HB )) 2.400 0.700 0.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.43891E-02 ppm1 0.825 ppm2 1.646 CV 1 ASSI { 1556} ( segid "KH " and resid 156 and name HG2%) (( segid "KH " and resid 163 and name HA )) 2.400 0.700 0.700 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.47215E-02 ppm1 0.830 ppm2 3.855 CV 1 ASSI { 1557} ( segid "KH " and resid 156 and name HG2%) (( segid "KH " and resid 156 and name HA )) 2.500 0.800 0.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.34536E-02 ppm1 0.830 ppm2 5.035 CV 1 ASSI { 1559} (( segid "KH " and resid 157 and name HA )) (( segid "KH " and resid 106 and name HA )) 2.800 1.000 1.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 5.118 ppm2 4.949 CV 1 ASSI { 1561} (( segid "KH " and resid 157 and name HA )) (( segid "KH " and resid 157 and name HG12)) 3.600 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 5.118 ppm2 1.456 CV 1 ASSI { 1562} (( segid "KH " and resid 157 and name HA )) (( segid "KH " and resid 157 and name HG13)) 2.900 1.100 1.100 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 5.118 ppm2 0.996 CV 1 ASSI { 1563} (( segid "KH " and resid 157 and name HA )) ( segid "KH " and resid 157 and name HG2%) 2.500 0.800 0.800 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.43527E-02 ppm1 5.118 ppm2 0.772 CV 1 ASSI { 1564} (( segid "KH " and resid 157 and name HA )) (( segid "KH " and resid 157 and name HB )) 3.400 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.63188E-03 ppm1 5.118 ppm2 1.832 CV 1 ASSI { 1568} ( segid "KH " and resid 157 and name HD1%) (( segid "KH " and resid 157 and name HG12)) 2.100 0.500 0.500 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.12594E-01 ppm1 0.793 ppm2 1.439 CV 1 ASSI { 1577} ( segid "KH " and resid 157 and name HD1%) (( segid "KH " and resid 106 and name HA )) 2.800 1.000 1.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.30287E-02 ppm1 0.793 ppm2 4.927 CV 1 ASSI { 1578} ( segid "KH " and resid 157 and name HD1%) (( segid "KH " and resid 157 and name HA )) 2.900 1.000 1.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.30459E-02 ppm1 0.793 ppm2 5.104 CV 1 ASSI { 1585} (( segid "KH " and resid 157 and name HG12)) (( segid "KH " and resid 106 and name HA )) 4.000 2.000 2.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.97652E-03 ppm1 1.442 ppm2 4.962 CV 1 ASSI { 1588} (( segid "KH " and resid 157 and name HG12)) ( segid "KH " and resid 157 and name HD1%) 2.200 0.600 0.600 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.86906E-02 ppm1 1.442 ppm2 0.795 CV 1 OR { 1588} (( segid "KH " and resid 157 and name HG12)) ( segid "KH " and resid 157 and name HG2%) ASSI { 1590} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 157 and name HG12)) 2.400 0.700 0.700 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.49680E-02 ppm1 0.772 ppm2 1.440 CV 1 ASSI { 1591} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HD2 )) 2.600 0.800 0.800 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.48167E-02 ppm1 0.772 ppm2 1.639 CV 1 OR { 1591} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HD3 )) OR { 1591} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HB2 )) ASSI { 1592} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 157 and name HB )) 2.200 0.600 0.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.68561E-02 ppm1 0.772 ppm2 1.849 CV 1 ASSI { 1593} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HE2 )) 3.200 1.300 1.300 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.21758E-02 ppm1 0.775 ppm2 2.908 CV 1 OR { 1593} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HE3 )) ASSI { 1597} (( segid "KH " and resid 157 and name HB )) (( segid "KH " and resid 137 and name HB3 )) 2.500 0.800 0.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.20315E-02 ppm1 1.841 ppm2 2.025 CV 1 ASSI { 1598} (( segid "KH " and resid 157 and name HB )) (( segid "KH " and resid 137 and name HB2 )) 4.000 2.000 2.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.10063E-02 ppm1 1.840 ppm2 2.187 CV 1 ASSI { 1606} (( segid "KH " and resid 158 and name HA3 )) (( segid "KH " and resid 158 and name HA2 )) 2.500 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.20126E-02 ppm1 4.397 ppm2 3.986 CV 1 ASSI { 1609} (( segid "KH " and resid 159 and name HA )) (( segid "KH " and resid 159 and name HD2 )) 3.400 1.400 1.400 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.10127E-02 ppm1 5.570 ppm2 7.073 CV 1 ASSI { 1611} (( segid "KH " and resid 159 and name HA )) (( segid "KH " and resid 159 and name HB2 )) 3.400 1.400 1.400 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.12088E-02 ppm1 5.570 ppm2 3.524 CV 1 ASSI { 1612} (( segid "KH " and resid 159 and name HA )) (( segid "KH " and resid 159 and name HB3 )) 3.100 1.200 1.200 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.94014E-03 ppm1 5.570 ppm2 3.184 CV 1 ASSI { 1617} (( segid "KH " and resid 159 and name HB3 )) (( segid "KH " and resid 159 and name HB2 )) 2.600 0.900 0.900 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 3.180 ppm2 3.519 CV 1 ASSI { 1620} (( segid "KH " and resid 160 and name HA )) (( segid "KH " and resid 160 and name HB3 )) 3.400 1.400 1.400 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.80139E-03 ppm1 3.199 ppm2 2.149 CV 1 ASSI { 1621} (( segid "KH " and resid 160 and name HA )) (( segid "KH " and resid 160 and name HB2 )) 3.400 1.400 1.400 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.67976E-03 ppm1 3.199 ppm2 2.343 CV 1 ASSI { 1643} (( segid "KH " and resid 165 and name HG3 )) (( segid "KH " and resid 165 and name HA )) 3.400 1.400 1.400 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16450E-02 ppm1 2.343 ppm2 4.073 CV 1 ASSI { 1644} (( segid "KH " and resid 165 and name HG2 )) (( segid "KH " and resid 165 and name HB3 )) 2.800 1.000 1.000 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.27063E-02 ppm1 2.580 ppm2 2.186 CV 1 OR { 1644} (( segid "KH " and resid 165 and name HG2 )) (( segid "KH " and resid 165 and name HB2 )) ASSI { 1647} (( segid "KH " and resid 165 and name HB2 )) (( segid "KH " and resid 162 and name HA )) 2.800 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.23109E-02 ppm1 2.174 ppm2 4.061 CV 1 OR { 1647} (( segid "KH " and resid 165 and name HB3 )) (( segid "KH " and resid 162 and name HA )) ASSI { 1650} (( segid "KH " and resid 163 and name HA )) (( segid "KH " and resid 163 and name HB2 )) 3.200 1.200 1.200 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 3.881 ppm2 3.725 CV 1 OR { 1650} (( segid "KH " and resid 163 and name HA )) (( segid "KH " and resid 163 and name HB3 )) ASSI { 1654} (( segid "KH " and resid 163 and name HB2 )) ( segid "KH " and resid 156 and name HG2%) 3.400 1.500 1.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11194E-02 ppm1 3.721 ppm2 0.825 CV 1 OR { 1654} (( segid "KH " and resid 163 and name HB3 )) ( segid "KH " and resid 156 and name HG2%) ASSI { 1656} (( segid "KH " and resid 164 and name HA )) (( segid "KH " and resid 167 and name HB2 )) 3.200 1.200 1.200 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.78820E-03 ppm1 3.619 ppm2 2.154 CV 1 ASSI { 1658} (( segid "KH " and resid 164 and name HA )) (( segid "KH " and resid 164 and name HG3 )) 3.300 1.400 1.400 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.13610E-02 ppm1 3.619 ppm2 1.898 CV 1 OR { 1658} (( segid "KH " and resid 164 and name HA )) (( segid "KH " and resid 164 and name HG2 )) ASSI { 1660} (( segid "KH " and resid 164 and name HA )) (( segid "KH " and resid 164 and name HB3 )) 3.500 1.500 1.500 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.56741E-03 ppm1 3.619 ppm2 1.500 CV 1 ASSI { 1663} (( segid "KH " and resid 167 and name HA )) (( segid "KH " and resid 167 and name HG3 )) 3.200 1.300 1.300 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 3.643 ppm2 1.859 CV 1 ASSI { 1680} (( segid "KH " and resid 168 and name HB2 )) (( segid "KH " and resid 168 and name HA )) 2.500 0.800 0.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.37884E-02 ppm1 1.905 ppm2 3.921 CV 1 OR { 1680} (( segid "KH " and resid 168 and name HB3 )) (( segid "KH " and resid 168 and name HA )) ASSI { 1682} (( segid "KH " and resid 168 and name HB2 )) (( segid "KH " and resid 168 and name HD3 )) 2.800 1.000 1.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.28162E-02 ppm1 1.905 ppm2 3.161 CV 1 OR { 1682} (( segid "KH " and resid 168 and name HB3 )) (( segid "KH " and resid 168 and name HD3 )) OR { 1682} (( segid "KH " and resid 168 and name HB3 )) (( segid "KH " and resid 168 and name HD2 )) OR { 1682} (( segid "KH " and resid 168 and name HB2 )) (( segid "KH " and resid 168 and name HD2 )) ASSI { 1684} (( segid "KH " and resid 171 and name HD2 )) (( segid "KH " and resid 171 and name HA )) 2.500 0.800 0.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.38640E-02 ppm1 3.146 ppm2 3.909 CV 1 OR { 1684} (( segid "KH " and resid 171 and name HD3 )) (( segid "KH " and resid 171 and name HA )) ASSI { 1687} (( segid "KH " and resid 118 and name HD2 )) (( segid "KH " and resid 177 and name HB )) 3.100 1.200 1.200 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.18495E-02 ppm1 3.146 ppm2 2.204 CV 1 OR { 1687} (( segid "KH " and resid 118 and name HD3 )) (( segid "KH " and resid 177 and name HB )) ASSI { 1689} (( segid "KH " and resid 169 and name HA )) (( segid "KH " and resid 172 and name HB2 )) 2.400 0.700 0.700 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.51686E-02 ppm1 4.153 ppm2 2.874 CV 1 ASSI { 1690} (( segid "KH " and resid 169 and name HA )) (( segid "KH " and resid 169 and name HB3 )) 2.100 0.600 0.600 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.95699E-02 ppm1 4.153 ppm2 1.868 CV 1 OR { 1690} (( segid "KH " and resid 169 and name HA )) (( segid "KH " and resid 169 and name HB2 )) ASSI { 1691} (( segid "KH " and resid 169 and name HA )) (( segid "KH " and resid 169 and name HG2 )) 2.900 1.000 1.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.46775E-02 ppm1 4.153 ppm2 1.484 CV 1 ASSI { 1702} (( segid "KH " and resid 169 and name HG3 )) (( segid "KH " and resid 169 and name HB2 )) 2.100 0.600 0.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.11954E-01 ppm1 1.417 ppm2 1.837 CV 1 OR { 1702} (( segid "KH " and resid 169 and name HG3 )) (( segid "KH " and resid 169 and name HB3 )) ASSI { 1704} (( segid "KH " and resid 169 and name HG3 )) (( segid "KH " and resid 169 and name HA )) 2.400 0.700 0.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.52882E-02 ppm1 1.413 ppm2 4.159 CV 1 ASSI { 1707} (( segid "KH " and resid 170 and name HA )) (( segid "KH " and resid 173 and name HB )) 4.300 2.300 1.700 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.13155E-02 ppm1 3.551 ppm2 1.960 CV 1 ASSI { 1708} (( segid "KH " and resid 170 and name HA )) (( segid "KH " and resid 170 and name HB )) 2.700 0.900 0.900 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 3.551 ppm2 1.836 CV 1 ASSI { 1709} (( segid "KH " and resid 170 and name HA )) (( segid "KH " and resid 170 and name HG12)) 2.400 0.700 0.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.33439E-02 ppm1 3.551 ppm2 0.819 CV 1 OR { 1709} (( segid "KH " and resid 170 and name HA )) (( segid "KH " and resid 170 and name HG13)) ASSI { 1717} ( segid "KH " and resid 170 and name HD1%) (( segid "KH " and resid 170 and name HB )) 2.100 0.500 0.500 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.11971E-01 ppm1 0.668 ppm2 1.837 CV 1 ASSI { 1718} ( segid "KH " and resid 170 and name HD1%) (( segid "KH " and resid 170 and name HA )) 2.900 1.000 1.000 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.27308E-02 ppm1 0.668 ppm2 3.566 CV 1 ASSI { 1726} (( segid "KH " and resid 171 and name HA )) (( segid "KH " and resid 171 and name HB3 )) 2.800 1.000 1.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.21382E-02 ppm1 3.906 ppm2 2.086 CV 1 OR { 1726} (( segid "KH " and resid 171 and name HA )) (( segid "KH " and resid 171 and name HB2 )) ASSI { 1727} (( segid "KH " and resid 171 and name HA )) (( segid "KH " and resid 171 and name HG3 )) 3.200 1.300 1.300 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.19005E-02 ppm1 3.906 ppm2 1.726 CV 1 ASSI { 1728} (( segid "KH " and resid 171 and name HA )) (( segid "KH " and resid 174 and name HB3 )) 3.700 1.700 1.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.12794E-02 ppm1 3.906 ppm2 1.554 CV 1 ASSI { 1739} (( segid "KH " and resid 171 and name HD3 )) (( segid "KH " and resid 171 and name HG2 )) 2.100 0.500 0.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.99337E-02 ppm1 3.170 ppm2 1.872 CV 1 OR { 1739} (( segid "KH " and resid 171 and name HD2 )) (( segid "KH " and resid 171 and name HG2 )) ASSI { 1740} (( segid "KH " and resid 171 and name HD3 )) ( segid "KH " and resid 109 and name HG2%) 3.200 1.300 1.300 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.15586E-02 ppm1 3.170 ppm2 0.885 CV 1 OR { 1740} (( segid "KH " and resid 171 and name HD2 )) ( segid "KH " and resid 109 and name HG2%) ASSI { 1743} (( segid "KH " and resid 171 and name HD2 )) ( segid "KH " and resid 109 and name HD1%) 2.700 0.900 0.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.30019E-02 ppm1 3.170 ppm2 0.744 CV 1 OR { 1743} (( segid "KH " and resid 171 and name HD3 )) ( segid "KH " and resid 109 and name HD1%) ASSI { 1747} (( segid "KH " and resid 172 and name HB3 )) (( segid "KH " and resid 172 and name HA )) 3.000 1.100 1.100 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.21790E-02 ppm1 2.683 ppm2 4.436 CV 1 ASSI { 1757} (( segid "KH " and resid 173 and name HA )) (( segid "KH " and resid 173 and name HB )) 3.000 1.100 1.100 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.12872E-02 ppm1 3.688 ppm2 1.966 CV 1 ASSI { 1760} (( segid "KH " and resid 173 and name HA )) ( segid "KH " and resid 173 and name HD1%) 3.300 1.400 1.400 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.49680E-02 ppm1 3.688 ppm2 0.764 CV 1 ASSI { 1764} (( segid "KH " and resid 173 and name HB )) (( segid "KH " and resid 173 and name HG12)) 3.200 1.300 1.300 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 1.989 ppm2 1.836 CV 1 ASSI { 1770} ( segid "KH " and resid 173 and name HD1%) (( segid "KH " and resid 173 and name HB )) 2.200 0.600 0.600 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.10889E-01 ppm1 0.790 ppm2 1.979 CV 1 ASSI { 1772} ( segid "KH " and resid 173 and name HD1%) (( segid "KH " and resid 119 and name HA )) 2.500 0.800 0.800 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.46604E-02 ppm1 0.790 ppm2 3.667 CV 1 ASSI { 1779} (( segid "KH " and resid 173 and name HG12)) ( segid "KH " and resid 173 and name HD1%) 2.300 0.700 0.700 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.56936E-02 ppm1 1.834 ppm2 0.772 CV 1 ASSI { 1780} (( segid "KH " and resid 173 and name HG12)) (( segid "KH " and resid 173 and name HG13)) 2.100 0.600 0.600 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.24240E-02 ppm1 1.834 ppm2 1.011 CV 1 ASSI { 1781} (( segid "KH " and resid 173 and name HG12)) (( segid "KH " and resid 170 and name HA )) 2.500 0.800 0.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 1.834 ppm2 3.563 CV 1 ASSI { 1788} (( segid "KH " and resid 174 and name HA )) ( segid "KH " and resid 177 and name HG1%) 3.900 1.900 1.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.11163E-02 ppm1 3.918 ppm2 0.963 CV 1 ASSI { 1790} (( segid "KH " and resid 174 and name HA )) ( segid "KH " and resid 174 and name HD2%) 2.700 0.900 0.900 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.38934E-02 ppm1 3.918 ppm2 0.737 CV 1 ASSI { 1799} (( segid "KH " and resid 174 and name HG )) (( segid "KH " and resid 174 and name HB3 )) 2.700 0.900 0.900 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.25598E-02 ppm1 1.906 ppm2 1.536 CV 1 ASSI { 1800} (( segid "KH " and resid 174 and name HG )) ( segid "KH " and resid 174 and name HD1%) 2.500 0.800 0.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.39129E-02 ppm1 1.906 ppm2 0.866 CV 1 ASSI { 1801} (( segid "KH " and resid 174 and name HG )) ( segid "KH " and resid 174 and name HD2%) 2.400 0.700 0.700 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.50853E-02 ppm1 1.906 ppm2 0.748 CV 1 ASSI { 1806} ( segid "KH " and resid 174 and name HD1%) (( segid "KH " and resid 174 and name HG )) 2.000 0.500 0.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.13197E-01 ppm1 0.879 ppm2 1.898 CV 1 OR { 1806} ( segid "KH " and resid 174 and name HD1%) (( segid "KH " and resid 174 and name HB2 )) ASSI { 1808} ( segid "KH " and resid 174 and name HD1%) (( segid "KH " and resid 171 and name HD2 )) 3.000 1.100 1.100 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 0.881 ppm2 3.161 CV 1 ASSI { 1816} ( segid "KH " and resid 174 and name HD2%) ( segid "KH " and resid 174 and name HD1%) 1.800 0.400 0.400 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.31606E-01 ppm1 0.753 ppm2 0.856 CV 1 ASSI { 1823} ( segid "KH " and resid 126 and name HG2%) ( segid "KH " and resid 173 and name HD1%) 2.100 2.100 3.900 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.16402E-01 ppm1 1.096 ppm2 0.792 CV 1 ASSI { 1824} ( segid "KH " and resid 126 and name HG2%) (( segid "KH " and resid 126 and name HB )) 2.700 0.900 0.900 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.32632E-02 ppm1 1.096 ppm2 4.301 CV 1 ASSI { 1825} ( segid "KH " and resid 126 and name HG2%) (( segid "KH " and resid 126 and name HA )) 2.700 0.900 0.900 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.39129E-02 ppm1 1.096 ppm2 4.363 CV 1 ASSI { 1826} ( segid "KH " and resid 126 and name HG2%) (( segid "KH " and resid 121 and name HA3 )) 2.500 0.800 0.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.74155E-02 ppm1 1.096 ppm2 3.950 CV 1 ASSI { 1827} ( segid "KH " and resid 126 and name HG2%) (( segid "KH " and resid 119 and name HA )) 3.000 1.200 1.200 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.16473E-02 ppm1 1.097 ppm2 3.681 CV 1 ASSI { 1828} (( segid "KH " and resid 126 and name HA )) (( segid "KH " and resid 129 and name HB3 )) 3.000 1.100 1.100 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.21885E-02 ppm1 4.365 ppm2 1.964 CV 1 ASSI { 1829} (( segid "KH " and resid 126 and name HA )) (( segid "KH " and resid 129 and name HB2 )) 3.000 1.200 1.200 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.15429E-02 ppm1 4.365 ppm2 2.085 CV 1 ASSI { 1831} (( segid "KH " and resid 127 and name HA )) (( segid "KH " and resid 127 and name HB )) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.13344E-02 ppm1 3.942 ppm2 2.245 CV 1 ASSI { 1832} (( segid "KH " and resid 127 and name HA )) ( segid "KH " and resid 127 and name HG1%) 2.900 1.100 1.100 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 3.942 ppm2 0.985 CV 1 ASSI { 1837} (( segid "KH " and resid 130 and name HB2 )) ( segid "KH " and resid 138 and name HG2%) 3.900 1.900 1.900 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.78920E-03 ppm1 1.916 ppm2 0.634 CV 1 ASSI { 1840} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 166 and name HA )) 3.300 1.400 1.400 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.19372E-02 ppm1 0.777 ppm2 4.033 CV 1 ASSI { 1841} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 169 and name HB2 )) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.28382E-02 ppm1 0.779 ppm2 1.849 CV 1 OR { 1841} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 169 and name HB3 )) ASSI { 1844} (( segid "KH " and resid 170 and name HG13)) ( segid "KH " and resid 170 and name HD1%) 2.800 1.000 1.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 0.837 ppm2 0.702 CV 1 OR { 1844} (( segid "KH " and resid 170 and name HG12)) ( segid "KH " and resid 170 and name HD1%) OR { 1844} (( segid "KH " and resid 170 and name HG13)) ( segid "KH " and resid 170 and name HG2%) OR { 1844} (( segid "KH " and resid 170 and name HG12)) ( segid "KH " and resid 170 and name HG2%) ASSI { 1845} (( segid "KH " and resid 170 and name HG13)) (( segid "KH " and resid 170 and name HB )) 2.900 1.100 1.100 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 0.837 ppm2 1.808 CV 1 OR { 1845} (( segid "KH " and resid 170 and name HG12)) (( segid "KH " and resid 170 and name HB )) ASSI { 1847} (( segid "KH " and resid 170 and name HG12)) ( segid "KH " and resid 130 and name HD1%) 2.900 1.000 1.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.20754E-02 ppm1 0.837 ppm2 0.803 CV 1 OR { 1847} (( segid "KH " and resid 170 and name HG13)) ( segid "KH " and resid 130 and name HD1%) ASSI { 1848} ( segid "KH " and resid 103 and name HG2%) ( segid "KH " and resid 105 and name HD2%) 3.100 1.200 1.200 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.43012E-02 ppm1 0.512 ppm2 -0.194 CV 1 ASSI { 1849} (( segid "KH " and resid 131 and name HG2 )) ( segid "KH " and resid 138 and name HG1%) 4.000 2.000 2.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.52343E-03 ppm1 2.661 ppm2 0.713 CV 1 ASSI { 1850} ( segid "KH " and resid 136 and name HB% ) ( segid "KH " and resid 166 and name HB% ) 2.400 0.700 0.700 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.46604E-02 ppm1 0.956 ppm2 1.344 CV 1 ASSI { 1854} (( segid "KH " and resid 22 and name HG3 )) (( segid "KH " and resid 22 and name HB2 )) 2.100 0.600 0.600 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.94063E-02 ppm1 2.142 ppm2 1.865 CV 1 ASSI { 1855} (( segid "KH " and resid 22 and name HG2 )) (( segid "KH " and resid 22 and name HB2 )) 2.600 0.800 0.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.59672E-02 ppm1 2.261 ppm2 1.865 CV 1 ASSI { 1858} (( segid "KH " and resid 22 and name HG2 )) (( segid "KH " and resid 22 and name HA )) 3.100 1.200 1.200 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 2.257 ppm2 3.943 CV 1 ASSI { 1859} (( segid "KH " and resid 22 and name HG3 )) (( segid "KH " and resid 22 and name HA )) 3.200 1.300 1.300 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 2.151 ppm2 3.949 CV 1 ASSI { 1861} (( segid "KH " and resid 144 and name HG3 )) (( segid "KH " and resid 141 and name HB2 )) 2.500 2.500 3.500 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.61992E-02 ppm1 2.095 ppm2 2.320 CV 1 OR { 1861} (( segid "KH " and resid 144 and name HG2 )) (( segid "KH " and resid 141 and name HB2 )) ASSI { 1862} ( segid "KH " and resid 119 and name HG1%) ( segid "KH " and resid 140 and name HG2%) 1.600 0.300 0.600 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.70223E-01 ppm1 0.852 ppm2 0.751 CV 1 ASSI { 1863} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 177 and name HB )) 3.000 1.100 1.100 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 1.364 ppm2 2.181 CV 1 ASSI { 1864} (( segid "KH " and resid 110 and name HD3 )) (( segid "KH " and resid 110 and name HB3 )) 3.000 1.100 1.100 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.29384E-02 ppm1 2.933 ppm2 1.527 CV 1 ASSI { 1865} (( segid "KH " and resid 110 and name HD2 )) (( segid "KH " and resid 110 and name HB3 )) 2.300 2.300 3.700 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.40131E-02 ppm1 3.008 ppm2 1.527 CV 1 ASSI { 1866} (( segid "KH " and resid 110 and name HD2 )) (( segid "KH " and resid 110 and name HB2 )) 3.000 1.100 1.100 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.51170E-02 ppm1 3.008 ppm2 1.647 CV 1 ASSI { 1867} (( segid "KH " and resid 110 and name HD3 )) (( segid "KH " and resid 110 and name HG2 )) 2.200 0.600 0.600 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.50681E-02 ppm1 2.933 ppm2 1.604 CV 1 ASSI { 1869} (( segid "KH " and resid 177 and name HA )) (( segid "KH " and resid 177 and name HB )) 2.700 0.900 0.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.37467E-02 ppm1 3.843 ppm2 2.189 CV 1 ASSI { 1874} (( segid "KH " and resid 118 and name HG2 )) (( segid "KH " and resid 118 and name HB2 )) 2.100 0.600 0.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.12025E-01 ppm1 1.654 ppm2 1.838 CV 1 OR { 1874} (( segid "KH " and resid 118 and name HG2 )) (( segid "KH " and resid 118 and name HB3 )) OR { 1874} (( segid "KH " and resid 118 and name HG3 )) (( segid "KH " and resid 118 and name HB2 )) OR { 1874} (( segid "KH " and resid 118 and name HG3 )) (( segid "KH " and resid 118 and name HB3 )) ASSI { 1877} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 118 and name HG2 )) 2.700 0.900 0.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.50803E-02 ppm1 0.999 ppm2 1.650 CV 1 OR { 1877} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 118 and name HG3 )) ASSI { 1878} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 118 and name HB3 )) 2.600 0.900 0.900 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.65973E-02 ppm1 0.999 ppm2 1.841 CV 1 OR { 1878} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 118 and name HB2 )) ASSI { 1881} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 112 and name HG2 )) 2.400 2.400 3.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.48216E-02 ppm1 0.999 ppm2 2.037 CV 1 ASSI { 1882} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 177 and name HB )) 1.900 0.500 0.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.17860E-01 ppm1 0.999 ppm2 2.191 CV 1 ASSI { 1883} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 118 and name HD2 )) 2.600 0.800 0.800 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.47043E-02 ppm1 1.000 ppm2 3.135 CV 1 OR { 1883} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 118 and name HD3 )) ASSI { 1884} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 177 and name HA )) 2.100 0.600 0.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.13818E-01 ppm1 1.000 ppm2 3.843 CV 1 ASSI { 1885} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 115 and name HA )) 2.700 0.900 0.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.27625E-02 ppm1 1.000 ppm2 4.497 CV 1 ASSI { 1887} ( segid "KH " and resid 111 and name HG1%) ( segid "KH " and resid 174 and name HD1%) 1.800 0.400 0.400 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.45407E-01 ppm1 0.734 ppm2 0.876 CV 1 ASSI { 1889} ( segid "KH " and resid 138 and name HG1%) ( segid "KH " and resid 130 and name HD1%) 1.700 0.400 0.500 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.67926E-01 ppm1 0.710 ppm2 0.826 CV 1 ASSI { 1891} ( segid "KH " and resid 154 and name HG1%) ( segid "KH " and resid 138 and name HG1%) 1.800 0.400 0.400 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.37785E-01 ppm1 0.787 ppm2 0.720 CV 1 ASSI { 1894} (( segid "KH " and resid 164 and name HB3 )) (( segid "KH " and resid 164 and name HB2 )) 1.900 0.400 0.400 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.10437E-01 ppm1 1.499 ppm2 1.683 CV 1 ASSI { 1896} (( segid "KH " and resid 164 and name HB2 )) (( segid "KH " and resid 164 and name HA )) 3.200 1.200 1.200 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 1.675 ppm2 3.617 CV 1 ASSI { 1897} (( segid "KH " and resid 164 and name HB2 )) ( segid "KH " and resid 81 and name HD% ) 2.600 2.600 3.400 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.87590E-03 ppm1 1.678 ppm2 7.246 CV 1 ASSI { 1898} (( segid "KH " and resid 131 and name HG3 )) (( segid "KH " and resid 138 and name HB )) 3.200 1.300 1.300 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 2.466 ppm2 1.801 CV 1 ASSI { 1899} (( segid "KH " and resid 131 and name HG2 )) (( segid "KH " and resid 138 and name HB )) 4.100 2.100 1.900 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.33244E-03 ppm1 2.661 ppm2 1.793 CV 1 ASSI { 1900} (( segid "KH " and resid 116 and name HA )) (( segid "KH " and resid 119 and name HB )) 3.200 1.300 1.300 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.12936E-02 ppm1 3.625 ppm2 2.110 CV 1 ASSI { 1902} (( segid "KH " and resid 106 and name HA )) (( segid "KH " and resid 106 and name HB2 )) 3.000 1.100 1.100 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.16607E-02 ppm1 4.929 ppm2 1.994 CV 1 ASSI { 1903} ( segid "KH " and resid 107 and name HG2%) ( segid "KH " and resid 25 and name HG1%) 2.100 2.100 3.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.23622E-01 ppm1 1.091 ppm2 0.798 CV 1 ASSI { 1911} ( segid "KH " and resid 165 and name HE% ) (( segid "KH " and resid 134 and name HA )) 2.700 0.900 0.900 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.33780E-02 ppm1 1.994 ppm2 4.339 CV 1 ASSI { 1912} ( segid "KH " and resid 165 and name HE% ) (( segid "KH " and resid 133 and name HB3 )) 2.100 2.100 3.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.33975E-02 ppm1 1.994 ppm2 1.647 CV 1 ASSI { 1913} ( segid "KH " and resid 165 and name HE% ) ( segid "KH " and resid 166 and name HB% ) 2.400 2.400 3.600 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.14186E-02 ppm1 1.994 ppm2 1.376 CV 1 ASSI { 1914} ( segid "KH " and resid 165 and name HE% ) ( segid "KH " and resid 134 and name HG2%) 2.900 1.000 1.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.26428E-02 ppm1 1.994 ppm2 1.103 CV 1 ASSI { 1915} ( segid "KH " and resid 165 and name HE% ) ( segid "KH " and resid 133 and name HD1%) 2.800 1.000 1.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.23265E-02 ppm1 1.994 ppm2 0.865 CV 1 ASSI { 1916} ( segid "KH " and resid 165 and name HE% ) ( segid "KH " and resid 162 and name HB% ) 2.400 2.400 3.600 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 1.994 ppm2 1.019 CV 1 ASSI { 1919} ( segid "KH " and resid 166 and name HB% ) ( segid "KH " and resid 156 and name HG2%) 2.100 0.500 0.500 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.96700E-02 ppm1 1.341 ppm2 0.819 CV 1 ASSI { 1920} ( segid "KH " and resid 166 and name HB% ) ( segid "KH " and resid 156 and name HD1%) 2.100 0.500 0.500 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.89933E-02 ppm1 1.341 ppm2 0.707 CV 1 ASSI { 1921} ( segid "KH " and resid 170 and name HD1%) (( segid "KH " and resid 170 and name HG13)) 1.700 0.400 0.500 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.30752E-01 ppm1 0.668 ppm2 0.820 CV 1 OR { 1921} ( segid "KH " and resid 170 and name HD1%) (( segid "KH " and resid 170 and name HG12)) ASSI { 1922} ( segid "KH " and resid 170 and name HD1%) ( segid "KH " and resid 154 and name HG1%) 1.400 1.400 4.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.41793E-01 ppm1 0.668 ppm2 0.785 CV 1 ASSI { 1926} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 111 and name HB )) 2.400 0.700 0.700 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.65802E-02 ppm1 0.753 ppm2 1.997 CV 1 ASSI { 1929} (( segid "KH " and resid 144 and name HA )) (( segid "KH " and resid 144 and name HG2 )) 2.200 0.600 0.600 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.11546E-01 ppm1 4.383 ppm2 2.115 CV 1 OR { 1929} (( segid "KH " and resid 144 and name HA )) (( segid "KH " and resid 144 and name HG3 )) ASSI { 1930} (( segid "KH " and resid 144 and name HA )) (( segid "KH " and resid 144 and name HB2 )) 2.200 0.600 0.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.10837E-01 ppm1 4.383 ppm2 1.998 CV 1 OR { 1930} (( segid "KH " and resid 144 and name HA )) (( segid "KH " and resid 144 and name HB3 )) ASSI { 1931} (( segid "KH " and resid 161 and name HA )) (( segid "KH " and resid 164 and name HB2 )) 5.200 3.400 0.800 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.61308E-04 ppm1 3.463 ppm2 1.685 CV 1 ASSI { 1932} (( segid "KH " and resid 167 and name HA )) (( segid "KH " and resid 170 and name HB )) 3.200 1.300 1.300 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.98117E-03 ppm1 3.643 ppm2 1.819 CV 1 ASSI { 1940} (( segid "KH " and resid 81 and name HB2 )) ( segid "KH " and resid 81 and name HD% ) 3.400 1.400 1.400 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.85148E-03 ppm1 3.290 ppm2 7.232 CV 1 ASSI { 1944} (( segid "KH " and resid 81 and name HA )) ( segid "KH " and resid 81 and name HD% ) 3.400 1.400 1.400 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.88370E-03 ppm1 4.071 ppm2 7.234 CV 1 ASSI { 1947} (( segid "KH " and resid 105 and name HG )) ( segid "KH " and resid 91 and name HD2%) 2.100 2.100 3.900 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.13107E-01 ppm1 0.771 ppm2 0.516 CV 1 ASSI { 1951} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 71 and name HA )) 3.400 1.400 1.400 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.14831E-02 ppm1 0.368 ppm2 4.286 CV 1 ASSI { 1954} ( segid "KH " and resid 27 and name HG2%) ( segid "KH " and resid 105 and name HD2%) 2.800 2.800 3.200 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.64288E-02 ppm1 0.734 ppm2 -0.189 CV 1 ASSI { 1957} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 110 and name HE )) 4.100 2.100 1.900 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.64751E-03 ppm1 0.462 ppm2 7.568 CV 1 ASSI { 1960} (( segid "KH " and resid 145 and name HA )) (( segid "KH " and resid 146 and name HD2 )) 2.600 0.800 0.800 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.27894E-02 ppm1 4.630 ppm2 3.961 CV 1 ASSI { 1} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 7 and name H3' )) 3.100 1.200 1.200 peak 1 spectrum 1 weight 0.10000E+01 volume 0.19150E-02 ppm1 7.835 ppm2 4.474 CV 1 ASSI { 2} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 7 and name H2' )) 2.400 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.75278E-02 ppm1 7.836 ppm2 4.238 CV 1 ASSI { 3} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 8 and name H2' )) 2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.28394E-02 ppm1 7.837 ppm2 4.133 CV 1 ASSI { 4} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 8 and name H5'')) 3.000 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 7.836 ppm2 4.064 CV 1 ASSI { 5} (( segid "RN " and resid 1 and name H8 )) (( segid "RN " and resid 1 and name H4' )) 4.200 2.200 1.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.66175E-03 ppm1 7.939 ppm2 4.365 CV 1 ASSI { 6} (( segid "RN " and resid 1 and name H8 )) (( segid "RN " and resid 1 and name H3' )) 3.300 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.18898E-02 ppm1 7.936 ppm2 4.707 CV 1 ASSI { 7} (( segid "RN " and resid 1 and name H8 )) (( segid "RN " and resid 1 and name H2' )) 2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.45374E-02 ppm1 7.936 ppm2 4.768 CV 1 ASSI { 8} (( segid "RN " and resid 1 and name H8 )) (( segid "RN " and resid 1 and name H1' )) 2.500 2.500 3.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.59728E-02 ppm1 7.936 ppm2 5.808 CV 1 ASSI { 9} (( segid "RN " and resid 1 and name H8 )) (( segid "RN " and resid 1 and name H5' )) 4.000 2.000 2.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.58849E-03 ppm1 7.938 ppm2 3.905 CV 1 ASSI { 10} (( segid "RN " and resid 1 and name H8 )) (( segid "RN " and resid 1 and name H5'')) 3.400 1.500 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.66347E-03 ppm1 7.937 ppm2 3.834 CV 1 ASSI { 11} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 2 and name H5 )) 2.300 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.66598E-02 ppm1 7.730 ppm2 5.779 CV 1 ASSI { 12} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 2 and name H1' )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.31429E-02 ppm1 7.730 ppm2 5.809 CV 1 ASSI { 13} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 1 and name H3' )) 2.900 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.30013E-02 ppm1 7.729 ppm2 4.709 CV 1 ASSI { 14} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 1 and name H2' )) 2.900 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 7.730 ppm2 4.768 CV 1 ASSI { 15} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 2 and name H3' )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.33552E-02 ppm1 7.730 ppm2 4.555 CV 1 ASSI { 16} (( segid "RN " and resid 4 and name H6 )) (( segid "RN " and resid 4 and name H2' )) 2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.21948E-02 ppm1 7.725 ppm2 4.394 CV 1 ASSI { 17} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 2 and name H5'')) 3.500 1.600 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 7.730 ppm2 4.146 CV 1 ASSI { 18} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 2 and name H2' )) 3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 8.448 ppm2 4.243 CV 1 ASSI { 19} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 2 and name H3' )) 3.500 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.11504E-02 ppm1 8.447 ppm2 4.555 CV 1 ASSI { 20} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 3 and name H2' )) 2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.29432E-02 ppm1 8.445 ppm2 4.669 CV 1 ASSI { 21} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 3 and name H1' )) 3.400 1.400 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.10762E-02 ppm1 8.447 ppm2 5.883 CV 1 ASSI { 22} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 4 and name H5 )) 4.100 2.200 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.43630E-03 ppm1 8.449 ppm2 5.938 CV 1 ASSI { 23} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 8 and name H5 )) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.51160E-02 ppm1 7.836 ppm2 5.982 CV 1 ASSI { 24} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 8 and name H1' )) 3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 7.835 ppm2 5.853 CV 1 ASSI { 25} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 7 and name H1' )) 4.300 2.300 1.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.67966E-03 ppm1 7.838 ppm2 5.754 CV 1 ASSI { 26} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 7 and name H5 )) 2.500 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.56946E-02 ppm1 7.751 ppm2 5.891 CV 1 ASSI { 27} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 7 and name H1' )) 3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.17860E-02 ppm1 7.752 ppm2 5.753 CV 1 ASSI { 28} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 7 and name H3' )) 3.000 3.000 3.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 7.752 ppm2 4.469 CV 1 ASSI { 29} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 7 and name H2' )) 2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.63267E-02 ppm1 7.746 ppm2 4.241 CV 1 ASSI { 30} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 8 and name H4' )) 3.400 1.500 1.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.98907E-03 ppm1 7.837 ppm2 4.165 CV 1 ASSI { 31} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 5 and name H3' )) 3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13074E-02 ppm1 7.483 ppm2 4.707 CV 1 ASSI { 32} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 5 and name H2' )) 2.900 1.100 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.13523E-02 ppm1 7.483 ppm2 4.757 CV 1 ASSI { 33} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H3' )) 3.200 1.300 1.300 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10636E-02 ppm1 7.485 ppm2 4.439 CV 1 ASSI { 34} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H4' )) 3.800 1.800 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.60373E-03 ppm1 7.483 ppm2 4.299 CV 1 ASSI { 35} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H2' )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.15362E-02 ppm1 7.482 ppm2 4.175 CV 1 ASSI { 36} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 5 and name H2' )) 3.500 1.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 8.478 ppm2 4.761 CV 1 ASSI { 37} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 5 and name H3' )) 3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 8.478 ppm2 4.708 CV 1 ASSI { 38} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 5 and name H4' )) 3.400 1.500 1.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 8.476 ppm2 4.454 CV 1 ASSI { 39} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 4 and name H2' )) 4.200 2.200 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.65811E-03 ppm1 8.477 ppm2 4.390 CV 1 ASSI { 40} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 5 and name H5' )) 3.900 1.900 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.66079E-03 ppm1 8.478 ppm2 4.298 CV 1 ASSI { 41} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 5 and name H5'')) 3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.89051E-03 ppm1 8.478 ppm2 4.176 CV 1 ASSI { 42} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 6 and name H5 )) 3.700 1.700 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.48738E-03 ppm1 8.477 ppm2 5.567 CV 1 ASSI { 43} (( segid "RN " and resid 5 and name H8 )) (( segid "RN " and resid 5 and name H1' )) 3.500 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.78437E-03 ppm1 8.475 ppm2 5.876 CV 1 ASSI { 44} (( segid "RN " and resid 5 and name H2 )) (( segid "RN " and resid 5 and name H1' )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.49951E-03 ppm1 8.221 ppm2 5.874 CV 1 ASSI { 45} (( segid "RN " and resid 4 and name H6 )) (( segid "RN " and resid 4 and name H5 )) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 7.724 ppm2 5.936 CV 1 ASSI { 46} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H5 )) 2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19999E-02 ppm1 7.484 ppm2 5.568 CV 1 ASSI { 47} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H1' )) 3.600 1.600 1.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.61000E-03 ppm1 7.485 ppm2 5.520 CV 1 ASSI { 48} (( segid "RN " and resid 5 and name H2 )) (( segid "RN " and resid 6 and name H1' )) 4.000 2.000 2.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.33661E-03 ppm1 8.217 ppm2 5.516 CV 1 ASSI { 49} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 7 and name H4' )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 7.748 ppm2 4.304 CV 1 ASSI { 50} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 6 and name H2' )) 2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.25014E-02 ppm1 7.749 ppm2 4.174 CV 1 ASSI { 51} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 7 and name H5'')) 3.200 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11057E-02 ppm1 7.750 ppm2 4.077 CV 1 ASSI { 52} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H5'')) 4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.43818E-03 ppm1 7.482 ppm2 4.104 CV 1 ASSI { 53} (( segid "RN " and resid 4 and name H6 )) (( segid "RN " and resid 3 and name H2' )) 3.700 1.700 1.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.14147E-02 ppm1 7.725 ppm2 4.671 CV 1 ASSI { 54} (( segid "RN " and resid 2 and name H6 )) (( segid "RN " and resid 2 and name H4' )) 3.200 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 7.728 ppm2 4.362 CV 1 ASSI { 55} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 5 and name H1' )) 4.900 3.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.37418E-03 ppm1 7.478 ppm2 5.879 CV 1 ASSI { 56} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 4 and name H6 )) 4.500 2.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.50893E-03 ppm1 8.452 ppm2 7.728 CV 1 ASSI { 59} (( segid "RN " and resid 1 and name H1' )) (( segid "RN " and resid 2 and name H6 )) 3.500 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 5.814 ppm2 7.730 CV 1 ASSI { 64} (( segid "RN " and resid 8 and name H5 )) (( segid "RN " and resid 7 and name H6 )) 3.700 1.700 1.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.78688E-03 ppm1 5.985 ppm2 7.749 CV 1 ASSI { 66} (( segid "RN " and resid 6 and name H5 )) (( segid "RN " and resid 5 and name H3' )) 3.800 1.800 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.37418E-03 ppm1 5.572 ppm2 4.713 CV 1 ASSI { 67} (( segid "RN " and resid 6 and name H1' )) (( segid "RN " and resid 6 and name H2' )) 3.700 1.700 1.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.54745E-03 ppm1 5.512 ppm2 4.174 CV 1 ASSI { 68} (( segid "RN " and resid 7 and name H1' )) (( segid "RN " and resid 7 and name H4' )) 3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.17326E-02 ppm1 5.755 ppm2 4.302 CV 1 ASSI { 69} (( segid "RN " and resid 7 and name H1' )) (( segid "RN " and resid 7 and name H2' )) 2.600 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.44809E-02 ppm1 5.755 ppm2 4.241 CV 1 ASSI { 70} (( segid "RN " and resid 7 and name H1' )) (( segid "RN " and resid 7 and name H3' )) 3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.80843E-03 ppm1 5.756 ppm2 4.475 CV 1 ASSI { 71} (( segid "RN " and resid 2 and name H1' )) (( segid "RN " and resid 2 and name H2' )) 2.800 1.000 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.33188E-02 ppm1 5.816 ppm2 4.239 CV 1 ASSI { 72} (( segid "RN " and resid 2 and name H1' )) (( segid "RN " and resid 2 and name H4' )) 2.800 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.29935E-02 ppm1 5.814 ppm2 4.361 CV 1 ASSI { 73} (( segid "RN " and resid 2 and name H1' )) (( segid "RN " and resid 2 and name H3' )) 3.800 1.800 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.86268E-03 ppm1 5.815 ppm2 4.553 CV 1 ASSI { 74} (( segid "RN " and resid 8 and name H5 )) (( segid "RN " and resid 7 and name H3' )) 4.000 2.000 2.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.74132E-03 ppm1 5.986 ppm2 4.476 CV 1 ASSI { 75} (( segid "RN " and resid 8 and name H5 )) (( segid "RN " and resid 7 and name H2' )) 3.300 1.400 1.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.98782E-03 ppm1 5.985 ppm2 4.240 CV 1 ASSI { 76} (( segid "RN " and resid 8 and name H1' )) (( segid "RN " and resid 8 and name H2' )) 2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.42087E-02 ppm1 5.856 ppm2 4.133 CV 1 ASSI { 77} (( segid "RN " and resid 8 and name H1' )) (( segid "RN " and resid 8 and name H3' )) 3.500 1.600 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.12147E-02 ppm1 5.858 ppm2 4.237 CV 1 ASSI { 79} (( segid "RN " and resid 8 and name H5 )) (( segid "RN " and resid 7 and name H1' )) 2.500 2.500 3.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13523E-02 ppm1 5.985 ppm2 5.752 CV 1 ASSI { 80} (( segid "RN " and resid 1 and name H1' )) (( segid "RN " and resid 1 and name H2' )) 2.800 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.30941E-02 ppm1 5.810 ppm2 4.769 CV 1 ASSI { 81} (( segid "RN " and resid 1 and name H1' )) (( segid "RN " and resid 1 and name H3' )) 4.100 2.100 1.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.62150E-03 ppm1 5.812 ppm2 4.706 CV 1 ASSI { 82} (( segid "RN " and resid 4 and name H5 )) (( segid "RN " and resid 3 and name H2' )) 4.200 2.200 1.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.57875E-03 ppm1 5.933 ppm2 4.673 CV 1 ASSI { 83} (( segid "RN " and resid 4 and name H5 )) (( segid "RN " and resid 3 and name H3' )) 4.200 2.200 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.65735E-03 ppm1 5.933 ppm2 4.705 CV 1 ASSI { 84} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 3 and name H3' )) 3.500 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.17530E-02 ppm1 8.447 ppm2 4.704 CV 1 ASSI { 86} (( segid "RN " and resid 3 and name H1' )) (( segid "RN " and resid 3 and name H2' )) 2.900 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.21649E-02 ppm1 5.886 ppm2 4.674 CV 1 ASSI { 87} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H3' )) 3.100 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 5.884 ppm2 4.704 CV 1 ASSI { 88} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H2' )) 2.900 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.19621E-02 ppm1 5.880 ppm2 4.761 CV 1 ASSI { 94} (( segid "RN " and resid 2 and name H2' )) (( segid "RN " and resid 2 and name H3' )) 3.600 1.600 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.54114E-03 ppm1 4.243 ppm2 4.555 CV 1 ASSI { 95} (( segid "RN " and resid 7 and name H2' )) (( segid "RN " and resid 7 and name H3' )) 3.200 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 4.245 ppm2 4.477 CV 1 ASSI { 98} (( segid "RN " and resid 3 and name H1' )) (( segid "RN " and resid 3 and name H5' )) 4.100 2.100 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.68597E-03 ppm1 5.881 ppm2 4.346 CV 1 ASSI { 99} (( segid "RN " and resid 3 and name H1' )) (( segid "RN " and resid 3 and name H4' )) 3.300 1.300 1.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.17074E-02 ppm1 5.884 ppm2 4.512 CV 1 ASSI { 100} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H5'')) 3.700 1.700 1.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 5.886 ppm2 4.172 CV 1 ASSI { 102} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H5' )) 3.800 1.800 1.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.10471E-02 ppm1 5.884 ppm2 4.303 CV 1 ASSI { 103} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H4' )) 3.100 1.200 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.14504E-02 ppm1 5.889 ppm2 4.465 CV 1 ASSI { 105} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 3 and name H5' )) 3.700 1.700 1.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.47354E-03 ppm1 8.445 ppm2 4.357 CV 1 ASSI { 106} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 8 and name H5' )) 3.900 1.900 1.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.71095E-03 ppm1 7.834 ppm2 4.280 CV 1 ASSI { 107} (( segid "RN " and resid 8 and name H1' )) (( segid "RN " and resid 8 and name H4' )) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.18599E-02 ppm1 5.857 ppm2 4.163 CV 1 ASSI { 108} (( segid "RN " and resid 7 and name H6 )) (( segid "RN " and resid 6 and name H3' )) 2.900 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.25690E-02 ppm1 7.753 ppm2 4.441 CV 1 ASSI { 109} (( segid "RN " and resid 8 and name H6 )) (( segid "RN " and resid 7 and name H4' )) 2.800 2.800 3.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.59038E-03 ppm1 7.836 ppm2 4.300 CV 1 ASSI { 110} (( segid "RN " and resid 6 and name H6 )) (( segid "RN " and resid 6 and name H5' )) 4.100 2.100 1.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.33928E-03 ppm1 7.478 ppm2 4.351 CV 1 ASSI { 111} (( segid "RN " and resid 3 and name H8 )) (( segid "RN " and resid 3 and name H4' )) 3.800 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.62699E-03 ppm1 8.449 ppm2 4.517 CV 1 ASSI { 112} (( segid "RN " and resid 4 and name H6 )) (( segid "RN " and resid 4 and name H3' )) 4.100 2.100 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.62510E-03 ppm1 7.725 ppm2 4.513 CV 1 ASSI { 8} (( segid "KH " and resid 64 and name HA )) (( segid "KH " and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.61271E-02 ppm1 4.290 ppm2 2.354 CV 1 ASSI { 9} (( segid "KH " and resid 64 and name HA )) (( segid "KH " and resid 64 and name HB3 )) 2.400 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.39490E-02 ppm1 4.290 ppm2 1.887 CV 1 ASSI { 10} (( segid "KH " and resid 64 and name HA )) (( segid "KH " and resid 64 and name HG2 )) 3.500 1.500 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.28724E-02 ppm1 4.289 ppm2 2.060 CV 1 ASSI { 16} (( segid "KH " and resid 45 and name HA )) ( segid "KH " and resid 48 and name HD1%) 3.000 1.100 1.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 3.903 ppm2 0.788 CV 1 ASSI { 28} (( segid "KH " and resid 51 and name HA )) (( segid "KH " and resid 51 and name HB3 )) 3.000 1.100 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.21122E-02 ppm1 4.319 ppm2 3.071 CV 1 ASSI { 41} (( segid "KH " and resid 59 and name HA )) ( segid "KH " and resid 59 and name HB% ) 2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.47909E-02 ppm1 4.511 ppm2 1.352 CV 1 ASSI { 46} (( segid "KH " and resid 64 and name HD2 )) (( segid "KH " and resid 64 and name HB2 )) 2.600 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.32700E-02 ppm1 3.790 ppm2 2.324 CV 1 ASSI { 73} ( segid "KH " and resid 29 and name HG2%) ( segid "KH " and resid 29 and name HD1%) 2.300 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.73669E-02 ppm1 0.589 ppm2 0.316 CV 1 ASSI { 77} ( segid "KH " and resid 31 and name HB% ) (( segid "KH " and resid 68 and name HA )) 3.100 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.16936E-02 ppm1 1.216 ppm2 5.197 CV 1 ASSI { 78} (( segid "KH " and resid 32 and name HB3 )) (( segid "KH " and resid 32 and name HA )) 2.200 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.77915E-02 ppm1 2.091 ppm2 4.181 CV 1 ASSI { 79} (( segid "KH " and resid 32 and name HB2 )) (( segid "KH " and resid 32 and name HA )) 2.900 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.36843E-02 ppm1 2.201 ppm2 4.181 CV 1 ASSI { 83} (( segid "KH " and resid 29 and name HG13)) ( segid "KH " and resid 29 and name HD1%) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.60055E-02 ppm1 0.789 ppm2 0.315 CV 1 ASSI { 85} (( segid "KH " and resid 44 and name HB3 )) (( segid "KH " and resid 44 and name HB2 )) 2.800 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.89388E-03 ppm1 2.616 ppm2 3.158 CV 1 ASSI { 87} (( segid "KH " and resid 44 and name HB2 )) (( segid "KH " and resid 44 and name HA )) 3.900 1.900 1.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.59381E-03 ppm1 3.163 ppm2 4.346 CV 1 ASSI { 94} (( segid "KH " and resid 56 and name HG13)) (( segid "KH " and resid 56 and name HA )) 3.200 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.65517E-03 ppm1 0.815 ppm2 4.978 CV 1 ASSI { 101} (( segid "KH " and resid 62 and name HA )) (( segid "KH " and resid 62 and name HB2 )) 2.100 0.500 0.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.14608E-01 ppm1 4.040 ppm2 2.101 CV 1 OR { 101} (( segid "KH " and resid 62 and name HA )) (( segid "KH " and resid 62 and name HB3 )) ASSI { 127} (( segid "KH " and resid 76 and name HG2 )) (( segid "KH " and resid 76 and name HA )) 3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11750E-02 ppm1 2.191 ppm2 5.159 CV 1 ASSI { 128} (( segid "KH " and resid 76 and name HD2 )) (( segid "KH " and resid 75 and name HA2 )) 2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.31056E-02 ppm1 3.600 ppm2 4.348 CV 1 OR { 128} (( segid "KH " and resid 76 and name HD3 )) (( segid "KH " and resid 75 and name HA2 )) ASSI { 129} (( segid "KH " and resid 76 and name HD2 )) (( segid "KH " and resid 75 and name HA3 )) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 3.602 ppm2 4.035 CV 1 OR { 129} (( segid "KH " and resid 76 and name HD3 )) (( segid "KH " and resid 75 and name HA3 )) ASSI { 130} (( segid "KH " and resid 77 and name HD3 )) (( segid "KH " and resid 76 and name HA )) 3.100 1.200 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.70771E-03 ppm1 3.804 ppm2 5.180 CV 1 ASSI { 138} (( segid "KH " and resid 83 and name HA )) ( segid "KH " and resid 83 and name HB% ) 2.600 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.40950E-02 ppm1 3.953 ppm2 1.186 CV 1 ASSI { 139} ( segid "KH " and resid 45 and name HG2%) (( segid "KH " and resid 45 and name HA )) 2.800 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.52869E-02 ppm1 1.206 ppm2 3.912 CV 1 ASSI { 147} ( segid "KH " and resid 87 and name HG2%) (( segid "KH " and resid 87 and name HA )) 2.900 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.30405E-02 ppm1 0.614 ppm2 3.497 CV 1 ASSI { 149} (( segid "KH " and resid 88 and name HA )) ( segid "KH " and resid 87 and name HD1%) 2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.22420E-02 ppm1 3.806 ppm2 0.524 CV 1 ASSI { 169} (( segid "KH " and resid 90 and name HA )) ( segid "KH " and resid 36 and name HB% ) 2.600 2.600 3.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.91952E-03 ppm1 4.190 ppm2 1.232 CV 1 ASSI { 180} (( segid "KH " and resid 27 and name HB )) ( segid "KH " and resid 73 and name HD1%) 2.900 2.900 3.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.34520E-02 ppm1 1.679 ppm2 0.550 CV 1 ASSI { 188} (( segid "KH " and resid 28 and name HB3 )) ( segid "KH " and resid 68 and name HG1%) 3.600 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 2.479 ppm2 0.808 CV 1 ASSI { 192} ( segid "KH " and resid 29 and name HG2%) (( segid "KH " and resid 29 and name HA )) 2.400 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43957E-02 ppm1 0.590 ppm2 4.895 CV 1 ASSI { 195} (( segid "KH " and resid 30 and name HB2 )) (( segid "KH " and resid 30 and name HB3 )) 2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.41489E-02 ppm1 2.462 ppm2 1.490 CV 1 ASSI { 198} (( segid "KH " and resid 30 and name HD3 )) (( segid "KH " and resid 29 and name HA )) 2.900 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 3.161 ppm2 4.882 CV 1 ASSI { 199} (( segid "KH " and resid 30 and name HD2 )) (( segid "KH " and resid 29 and name HA )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 3.688 ppm2 4.877 CV 1 ASSI { 200} (( segid "KH " and resid 30 and name HD3 )) (( segid "KH " and resid 30 and name HD2 )) 2.300 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 3.176 ppm2 3.691 CV 1 ASSI { 201} (( segid "KH " and resid 30 and name HD3 )) (( segid "KH " and resid 68 and name HB )) 3.700 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.50304E-03 ppm1 3.158 ppm2 2.021 CV 1 ASSI { 202} (( segid "KH " and resid 30 and name HD3 )) (( segid "KH " and resid 30 and name HB3 )) 3.900 1.900 1.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.96574E-03 ppm1 3.176 ppm2 1.499 CV 1 ASSI { 214} (( segid "KH " and resid 33 and name HA )) ( segid "KH " and resid 36 and name HB% ) 3.000 1.100 1.100 peak 214 spectrum 1 weight 0.10000E+01 volume 0.20634E-02 ppm1 3.970 ppm2 1.247 CV 1 ASSI { 215} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 30 and name HD2 )) 3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.80605E-03 ppm1 0.415 ppm2 3.698 CV 1 ASSI { 217} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 30 and name HD3 )) 3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.12053E-02 ppm1 0.418 ppm2 3.161 CV 1 ASSI { 218} ( segid "KH " and resid 33 and name HB% ) ( segid "KH " and resid 36 and name HB% ) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19693E-02 ppm1 0.423 ppm2 1.239 CV 1 ASSI { 219} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 29 and name HB )) 2.600 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.29375E-02 ppm1 0.423 ppm2 1.482 CV 1 ASSI { 220} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 94 and name HB3 )) 3.500 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.18583E-02 ppm1 0.426 ppm2 1.668 CV 1 ASSI { 221} ( segid "KH " and resid 33 and name HB% ) (( segid "KH " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.12339E-02 ppm1 0.425 ppm2 2.456 CV 1 ASSI { 232} ( segid "KH " and resid 37 and name HD1%) (( segid "KH " and resid 34 and name HA )) 4.500 2.500 1.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.61988E-03 ppm1 0.469 ppm2 2.853 CV 1 ASSI { 258} (( segid "KH " and resid 50 and name HG2 )) (( segid "KH " and resid 50 and name HB2 )) 2.000 0.500 0.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.19374E-01 ppm1 1.776 ppm2 1.937 CV 1 OR { 258} (( segid "KH " and resid 50 and name HG2 )) (( segid "KH " and resid 50 and name HB3 )) ASSI { 259} (( segid "KH " and resid 50 and name HG2 )) (( segid "KH " and resid 50 and name HA )) 2.400 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.47446E-02 ppm1 1.778 ppm2 4.152 CV 1 ASSI { 265} (( segid "KH " and resid 48 and name HB3 )) (( segid "KH " and resid 45 and name HA )) 3.300 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.91026E-03 ppm1 1.392 ppm2 3.909 CV 1 ASSI { 274} (( segid "KH " and resid 46 and name HA )) (( segid "KH " and resid 46 and name HG3 )) 3.000 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.17882E-02 ppm1 4.124 ppm2 1.490 CV 1 OR { 274} (( segid "KH " and resid 46 and name HA )) (( segid "KH " and resid 46 and name HG2 )) ASSI { 275} (( segid "KH " and resid 46 and name HA )) (( segid "KH " and resid 48 and name HB3 )) 3.100 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 4.129 ppm2 1.400 CV 1 ASSI { 277} (( segid "KH " and resid 46 and name HA )) ( segid "KH " and resid 45 and name HG2%) 3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.10670E-02 ppm1 4.144 ppm2 1.193 CV 1 ASSI { 290} ( segid "KH " and resid 52 and name HB% ) ( segid "KH " and resid 51 and name HD% ) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.14612E-02 ppm1 1.377 ppm2 7.134 CV 1 ASSI { 296} (( segid "KH " and resid 56 and name HB )) (( segid "KH " and resid 56 and name HG12)) 2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 1.563 ppm2 1.406 CV 1 ASSI { 298} ( segid "KH " and resid 29 and name HG2%) (( segid "KH " and resid 29 and name HG12)) 2.100 0.600 0.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.97331E-02 ppm1 0.583 ppm2 1.178 CV 1 ASSI { 302} (( segid "KH " and resid 70 and name HB2 )) ( segid "KH " and resid 59 and name HB% ) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.34953E-02 ppm1 1.813 ppm2 1.350 CV 1 ASSI { 310} (( segid "KH " and resid 59 and name HA )) ( segid "KH " and resid 58 and name HG2%) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 4.506 ppm2 0.704 CV 1 ASSI { 313} (( segid "KH " and resid 59 and name HA )) (( segid "KH " and resid 60 and name HD3 )) 3.000 1.100 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.97794E-03 ppm1 4.525 ppm2 3.581 CV 1 ASSI { 331} ( segid "KH " and resid 68 and name HG2%) ( segid "KH " and resid 28 and name HD% ) 2.400 0.700 0.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.48666E-02 ppm1 0.791 ppm2 6.773 CV 1 ASSI { 332} ( segid "KH " and resid 68 and name HG2%) ( segid "KH " and resid 28 and name HE% ) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 0.791 ppm2 6.336 CV 1 ASSI { 334} ( segid "KH " and resid 68 and name HG2%) (( segid "KH " and resid 28 and name HB3 )) 2.700 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.24063E-02 ppm1 0.788 ppm2 2.475 CV 1 ASSI { 337} (( segid "KH " and resid 70 and name HG3 )) (( segid "KH " and resid 70 and name HB2 )) 3.000 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13330E-02 ppm1 1.013 ppm2 1.777 CV 1 ASSI { 350} (( segid "KH " and resid 76 and name HA )) (( segid "KH " and resid 77 and name HD2 )) 2.900 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.13713E-02 ppm1 5.175 ppm2 3.951 CV 1 ASSI { 351} (( segid "KH " and resid 77 and name HD3 )) (( segid "KH " and resid 77 and name HD2 )) 2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.23912E-02 ppm1 3.771 ppm2 3.977 CV 1 ASSI { 354} (( segid "KH " and resid 77 and name HD2 )) (( segid "KH " and resid 77 and name HB3 )) 4.600 2.700 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.43749E-03 ppm1 3.956 ppm2 1.863 CV 1 ASSI { 355} (( segid "KH " and resid 91 and name HG )) ( segid "KH " and resid 91 and name HD1%) 2.700 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.21391E-02 ppm1 2.006 ppm2 0.751 CV 1 ASSI { 364} (( segid "KH " and resid 78 and name HB3 )) (( segid "KH " and resid 78 and name HG3 )) 1.900 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.24938E-01 ppm1 1.952 ppm2 2.303 CV 1 OR { 364} (( segid "KH " and resid 78 and name HB3 )) (( segid "KH " and resid 78 and name HG2 )) ASSI { 365} (( segid "KH " and resid 78 and name HB3 )) (( segid "KH " and resid 78 and name HA )) 2.400 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.65306E-02 ppm1 1.945 ppm2 4.172 CV 1 ASSI { 366} (( segid "KH " and resid 81 and name HB3 )) ( segid "KH " and resid 81 and name HD% ) 2.900 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.17314E-02 ppm1 3.166 ppm2 7.226 CV 1 ASSI { 367} (( segid "KH " and resid 81 and name HB2 )) (( segid "KH " and resid 81 and name HA )) 3.200 1.200 1.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.90775E-03 ppm1 3.242 ppm2 4.075 CV 1 ASSI { 368} (( segid "KH " and resid 81 and name HB3 )) (( segid "KH " and resid 81 and name HA )) 3.400 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 3.141 ppm2 4.077 CV 1 ASSI { 369} (( segid "KH " and resid 82 and name HD3 )) (( segid "KH " and resid 82 and name HG2 )) 3.100 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.12721E-02 ppm1 1.184 ppm2 1.810 CV 1 ASSI { 382} ( segid "KH " and resid 56 and name HD1%) (( segid "KH " and resid 56 and name HB )) 2.200 2.200 3.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.99472E-02 ppm1 0.638 ppm2 1.515 CV 1 ASSI { 401} (( segid "KH " and resid 27 and name HB )) ( segid "KH " and resid 29 and name HD1%) 3.100 3.100 2.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.15415E-02 ppm1 1.702 ppm2 0.329 CV 1 ASSI { 413} (( segid "KH " and resid 29 and name HB )) ( segid "KH " and resid 29 and name HD1%) 3.200 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 1.494 ppm2 0.325 CV 1 ASSI { 425} (( segid "KH " and resid 30 and name HD3 )) ( segid "KH " and resid 29 and name HG2%) 3.900 1.900 1.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 3.156 ppm2 0.603 CV 1 ASSI { 427} (( segid "KH " and resid 32 and name HB2 )) (( segid "KH " and resid 30 and name HG2 )) 3.900 1.900 1.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.63961E-03 ppm1 2.198 ppm2 1.898 CV 1 OR { 427} (( segid "KH " and resid 32 and name HB2 )) (( segid "KH " and resid 30 and name HG3 )) ASSI { 430} ( segid "KH " and resid 34 and name HG2%) (( segid "KH " and resid 34 and name HA )) 2.400 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.34520E-02 ppm1 0.504 ppm2 2.884 CV 1 ASSI { 441} (( segid "KH " and resid 78 and name HA )) (( segid "KH " and resid 81 and name HB2 )) 3.500 1.500 1.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.77747E-03 ppm1 4.115 ppm2 3.217 CV 1 ASSI { 449} (( segid "KH " and resid 67 and name HA )) (( segid "KH " and resid 67 and name HB2 )) 2.300 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.68376E-02 ppm1 4.357 ppm2 2.099 CV 1 ASSI { 454} ( segid "KH " and resid 72 and name HG2%) (( segid "KH " and resid 72 and name HB )) 2.000 0.500 0.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.13872E-01 ppm1 0.669 ppm2 2.022 CV 1 ASSI { 455} (( segid "KH " and resid 76 and name HB3 )) (( segid "KH " and resid 76 and name HA )) 2.800 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 2.334 ppm2 5.148 CV 1 ASSI { 459} (( segid "KH " and resid 77 and name HA )) (( segid "KH " and resid 77 and name HB3 )) 3.000 1.100 1.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.98296E-03 ppm1 3.955 ppm2 1.931 CV 1 ASSI { 460} (( segid "KH " and resid 78 and name HA )) (( segid "KH " and resid 81 and name HB3 )) 3.400 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.76022E-03 ppm1 4.113 ppm2 3.140 CV 1 ASSI { 464} (( segid "KH " and resid 101 and name HG2 )) (( segid "KH " and resid 104 and name HG2 )) 2.700 2.700 3.300 peak 464 spectrum 1 weight 0.10000E+01 volume 0.31666E-02 ppm1 2.302 ppm2 1.192 CV 1 OR { 464} (( segid "KH " and resid 101 and name HG3 )) (( segid "KH " and resid 104 and name HG2 )) ASSI { 466} ( segid "KH " and resid 79 and name HB% ) (( segid "KH " and resid 76 and name HG2 )) 2.600 0.800 0.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.27501E-02 ppm1 1.426 ppm2 2.176 CV 1 ASSI { 469} (( segid "KH " and resid 82 and name HG3 )) (( segid "KH " and resid 82 and name HA )) 3.000 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.20176E-02 ppm1 1.467 ppm2 3.987 CV 1 ASSI { 471} (( segid "KH " and resid 82 and name HG2 )) (( segid "KH " and resid 82 and name HE2 )) 3.500 1.600 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.49297E-03 ppm1 1.816 ppm2 2.681 CV 1 OR { 471} (( segid "KH " and resid 82 and name HG2 )) (( segid "KH " and resid 82 and name HE3 )) ASSI { 474} (( segid "KH " and resid 82 and name HA )) ( segid "KH " and resid 81 and name HD% ) 3.200 1.300 1.300 peak 474 spectrum 1 weight 0.10000E+01 volume 0.97919E-03 ppm1 3.992 ppm2 7.196 CV 1 ASSI { 482} (( segid "KH " and resid 29 and name HG12)) ( segid "KH " and resid 29 and name HD1%) 2.900 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.14154E-02 ppm1 1.183 ppm2 0.316 CV 1 ASSI { 497} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 92 and name HD2 )) 1.700 0.300 0.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.42906E-01 ppm1 1.512 ppm2 1.684 CV 1 OR { 497} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 92 and name HD3 )) OR { 497} (( segid "KH " and resid 92 and name HG3 )) (( segid "KH " and resid 92 and name HD3 )) OR { 497} (( segid "KH " and resid 92 and name HG2 )) (( segid "KH " and resid 92 and name HD2 )) ASSI { 508} ( segid "KH " and resid 73 and name HG2%) (( segid "KH " and resid 73 and name HB )) 2.200 0.600 0.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.80185E-02 ppm1 0.679 ppm2 1.996 CV 1 ASSI { 513} (( segid "KH " and resid 58 and name HG12)) (( segid "KH " and resid 58 and name HA )) 3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 1.128 ppm2 4.716 CV 1 ASSI { 517} (( segid "KH " and resid 58 and name HG12)) (( segid "KH " and resid 58 and name HG13)) 1.900 0.400 0.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.67325E-02 ppm1 1.125 ppm2 0.816 CV 1 ASSI { 521} (( segid "KH " and resid 58 and name HG12)) (( segid "KH " and resid 58 and name HB )) 2.600 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 1.123 ppm2 1.748 CV 1 ASSI { 538} (( segid "KH " and resid 39 and name HA3 )) (( segid "KH " and resid 39 and name HA2 )) 2.200 0.600 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 3.712 ppm2 3.909 CV 1 ASSI { 547} (( segid "KH " and resid 76 and name HG2 )) (( segid "KH " and resid 79 and name HA )) 3.600 1.600 1.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 2.191 ppm2 4.362 CV 1 ASSI { 555} (( segid "KH " and resid 95 and name HB2 )) (( segid "KH " and resid 94 and name HA )) 3.600 1.600 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.58919E-03 ppm1 2.891 ppm2 4.244 CV 1 ASSI { 557} ( segid "KH " and resid 54 and name HB% ) (( segid "KH " and resid 55 and name HB2 )) 3.500 1.500 1.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.27388E-02 ppm1 1.001 ppm2 3.807 CV 1 OR { 557} ( segid "KH " and resid 54 and name HB% ) (( segid "KH " and resid 55 and name HB3 )) ASSI { 558} (( segid "KH " and resid 55 and name HB2 )) (( segid "KH " and resid 54 and name HA )) 3.800 1.800 1.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.16772E-02 ppm1 3.807 ppm2 4.925 CV 1 OR { 558} (( segid "KH " and resid 55 and name HB3 )) (( segid "KH " and resid 54 and name HA )) ASSI { 564} (( segid "KH " and resid 36 and name HA )) ( segid "KH " and resid 36 and name HB% ) 3.400 1.400 1.400 peak 564 spectrum 1 weight 0.10000E+01 volume 0.64087E-03 ppm1 2.993 ppm2 1.245 CV 1 ASSI { 566} (( segid "KH " and resid 38 and name HB )) ( segid "KH " and resid 38 and name HD1%) 3.400 1.500 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.76570E-03 ppm1 1.208 ppm2 -0.269 CV 1 ASSI { 576} (( segid "KH " and resid 72 and name HB )) ( segid "KH " and resid 71 and name HG2%) 1.900 1.900 4.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.59801E-02 ppm1 2.051 ppm2 0.658 CV 1 ASSI { 577} (( segid "KH " and resid 75 and name HA3 )) (( segid "KH " and resid 75 and name HA2 )) 2.900 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.65600E-03 ppm1 4.025 ppm2 4.417 CV 1 ASSI { 595} (( segid "KH " and resid 50 and name HB3 )) ( segid "KH " and resid 51 and name HD% ) 4.300 2.300 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.36859E-03 ppm1 1.935 ppm2 7.127 CV 1 OR { 595} (( segid "KH " and resid 50 and name HB2 )) ( segid "KH " and resid 51 and name HD% ) ASSI { 606} (( segid "KH " and resid 58 and name HB )) (( segid "KH " and resid 58 and name HA )) 2.900 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 1.744 ppm2 4.726 CV 1 ASSI { 610} (( segid "KH " and resid 69 and name HB2 )) ( segid "KH " and resid 58 and name HG2%) 3.900 1.900 1.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 1.509 ppm2 0.697 CV 1 ASSI { 615} (( segid "KH " and resid 40 and name HA )) (( segid "KH " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.40246E-02 ppm1 4.593 ppm2 1.957 CV 1 OR { 615} (( segid "KH " and resid 40 and name HA )) (( segid "KH " and resid 40 and name HB3 )) ASSI { 616} (( segid "KH " and resid 40 and name HA )) (( segid "KH " and resid 40 and name HG3 )) 2.800 1.000 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.23685E-02 ppm1 4.590 ppm2 1.595 CV 1 ASSI { 622} (( segid "KH " and resid 29 and name HA )) (( segid "KH " and resid 28 and name HB3 )) 3.200 1.300 1.300 peak 622 spectrum 1 weight 0.10000E+01 volume 0.79468E-03 ppm1 4.889 ppm2 2.483 CV 1 ASSI { 628} (( segid "KH " and resid 63 and name HA )) (( segid "KH " and resid 64 and name HD2 )) 2.700 0.900 0.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.51563E-02 ppm1 4.789 ppm2 3.813 CV 1 ASSI { 636} ( segid "KH " and resid 38 and name HG2%) (( segid "KH " and resid 38 and name HB )) 2.100 0.500 0.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.10254E-01 ppm1 0.820 ppm2 1.202 CV 1 ASSI { 638} (( segid "KH " and resid 96 and name HA )) ( segid "KH " and resid 96 and name HD% ) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 4.172 ppm2 7.126 CV 1 ASSI { 650} (( segid "KH " and resid 75 and name HA3 )) (( segid "KH " and resid 74 and name HB )) 4.100 2.100 1.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.25862E-03 ppm1 4.046 ppm2 3.812 CV 1 ASSI { 656} (( segid "KH " and resid 38 and name HA )) (( segid "KH " and resid 45 and name HB )) 3.000 1.100 1.100 peak 656 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 3.889 ppm2 2.109 CV 1 ASSI { 679} (( segid "KH " and resid 41 and name HB3 )) (( segid "KH " and resid 42 and name HA3 )) 4.300 2.300 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.49336E-03 ppm1 1.740 ppm2 3.848 CV 1 OR { 679} (( segid "KH " and resid 41 and name HB2 )) (( segid "KH " and resid 42 and name HA3 )) ASSI { 714} (( segid "KH " and resid 28 and name HB2 )) ( segid "KH " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 2.962 ppm2 0.805 CV 1 OR { 714} (( segid "KH " and resid 28 and name HB2 )) ( segid "KH " and resid 68 and name HG1%) ASSI { 727} ( segid "KH " and resid 107 and name HG2%) (( segid "KH " and resid 107 and name HB )) 2.400 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.46984E-02 ppm1 1.067 ppm2 3.944 CV 1 ASSI { 729} ( segid "KH " and resid 107 and name HG2%) (( segid "KH " and resid 27 and name HA )) 3.000 1.200 1.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 1.073 ppm2 4.719 CV 1 ASSI { 737} (( segid "KH " and resid 29 and name HB )) (( segid "KH " and resid 29 and name HG13)) 2.900 1.100 1.100 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 1.491 ppm2 0.777 CV 1 ASSI { 738} (( segid "KH " and resid 29 and name HB )) ( segid "KH " and resid 37 and name HD1%) 3.500 1.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 1.491 ppm2 0.462 CV 1 ASSI { 750} (( segid "KH " and resid 29 and name HG12)) (( segid "KH " and resid 29 and name HB )) 2.700 0.900 0.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.39651E-02 ppm1 1.188 ppm2 1.468 CV 1 ASSI { 781} (( segid "KH " and resid 99 and name HA )) (( segid "KH " and resid 99 and name HD2 )) 3.000 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.22147E-02 ppm1 4.378 ppm2 3.693 CV 1 OR { 781} (( segid "KH " and resid 99 and name HA )) (( segid "KH " and resid 99 and name HD3 )) ASSI { 792} (( segid "KH " and resid 99 and name HB3 )) (( segid "KH " and resid 99 and name HD2 )) 2.900 1.100 1.100 peak 792 spectrum 1 weight 0.10000E+01 volume 0.42906E-02 ppm1 1.922 ppm2 3.690 CV 1 OR { 792} (( segid "KH " and resid 99 and name HB3 )) (( segid "KH " and resid 99 and name HD3 )) ASSI { 800} (( segid "KH " and resid 99 and name HD2 )) (( segid "KH " and resid 98 and name HA3 )) 2.400 0.700 0.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.39813E-02 ppm1 3.691 ppm2 4.094 CV 1 OR { 800} (( segid "KH " and resid 99 and name HD3 )) (( segid "KH " and resid 98 and name HA3 )) ASSI { 801} (( segid "KH " and resid 99 and name HD3 )) (( segid "KH " and resid 98 and name HA2 )) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.45725E-02 ppm1 3.691 ppm2 4.190 CV 1 OR { 801} (( segid "KH " and resid 99 and name HD2 )) (( segid "KH " and resid 98 and name HA2 )) ASSI { 805} (( segid "KH " and resid 100 and name HA )) (( segid "KH " and resid 100 and name HD3 )) 2.300 0.700 0.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.66317E-02 ppm1 4.358 ppm2 1.743 CV 1 OR { 805} (( segid "KH " and resid 100 and name HA )) (( segid "KH " and resid 100 and name HD2 )) ASSI { 814} (( segid "KH " and resid 100 and name HG3 )) (( segid "KH " and resid 100 and name HB3 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.57617E-02 ppm1 1.358 ppm2 1.997 CV 1 OR { 814} (( segid "KH " and resid 100 and name HG2 )) (( segid "KH " and resid 100 and name HB3 )) ASSI { 823} (( segid "KH " and resid 101 and name HB2 )) (( segid "KH " and resid 101 and name HG3 )) 2.100 0.500 0.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.16444E-01 ppm1 2.106 ppm2 2.284 CV 1 OR { 823} (( segid "KH " and resid 101 and name HB2 )) (( segid "KH " and resid 101 and name HG2 )) ASSI { 824} (( segid "KH " and resid 101 and name HB3 )) (( segid "KH " and resid 101 and name HG3 )) 2.100 0.500 0.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.11767E-01 ppm1 2.002 ppm2 2.277 CV 1 OR { 824} (( segid "KH " and resid 101 and name HB3 )) (( segid "KH " and resid 101 and name HG2 )) ASSI { 825} (( segid "KH " and resid 101 and name HB2 )) (( segid "KH " and resid 101 and name HA )) 2.500 0.800 0.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.36357E-02 ppm1 2.105 ppm2 4.386 CV 1 ASSI { 826} (( segid "KH " and resid 101 and name HB3 )) (( segid "KH " and resid 101 and name HA )) 2.600 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.58582E-02 ppm1 2.000 ppm2 4.382 CV 1 ASSI { 844} (( segid "KH " and resid 102 and name HA )) ( segid "KH " and resid 103 and name HG1%) 3.400 1.500 1.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.32317E-02 ppm1 4.300 ppm2 0.837 CV 1 ASSI { 860} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 104 and name HA )) 3.000 1.100 1.100 peak 860 spectrum 1 weight 0.10000E+01 volume 0.18180E-02 ppm1 0.503 ppm2 4.624 CV 1 ASSI { 863} ( segid "KH " and resid 103 and name HG2%) ( segid "KH " and resid 97 and name HD% ) 2.800 1.000 1.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.24219E-02 ppm1 0.499 ppm2 7.248 CV 1 ASSI { 871} (( segid "KH " and resid 104 and name HB2 )) (( segid "KH " and resid 104 and name HG2 )) 2.800 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.20121E-02 ppm1 1.587 ppm2 1.199 CV 1 ASSI { 872} (( segid "KH " and resid 104 and name HB2 )) (( segid "KH " and resid 104 and name HG3 )) 2.700 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 1.589 ppm2 1.097 CV 1 ASSI { 876} (( segid "KH " and resid 104 and name HB3 )) (( segid "KH " and resid 104 and name HE3 )) 3.700 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 1.469 ppm2 2.888 CV 1 OR { 876} (( segid "KH " and resid 104 and name HB3 )) (( segid "KH " and resid 104 and name HE2 )) ASSI { 880} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 104 and name HE3 )) 3.100 1.200 1.200 peak 880 spectrum 1 weight 0.10000E+01 volume 0.32582E-02 ppm1 4.620 ppm2 2.880 CV 1 OR { 880} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 104 and name HE2 )) ASSI { 881} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 104 and name HD3 )) 2.600 0.800 0.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.36519E-02 ppm1 4.620 ppm2 1.594 CV 1 OR { 881} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 104 and name HB2 )) OR { 881} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 104 and name HD2 )) ASSI { 882} (( segid "KH " and resid 104 and name HA )) (( segid "KH " and resid 104 and name HB3 )) 2.600 0.900 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.23874E-02 ppm1 4.620 ppm2 1.478 CV 1 ASSI { 888} (( segid "KH " and resid 104 and name HG2 )) (( segid "KH " and resid 104 and name HB3 )) 2.800 1.000 1.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.39704E-02 ppm1 1.204 ppm2 1.475 CV 1 ASSI { 889} (( segid "KH " and resid 104 and name HG2 )) (( segid "KH " and resid 104 and name HB2 )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.38300E-02 ppm1 1.202 ppm2 1.612 CV 1 OR { 889} (( segid "KH " and resid 104 and name HG2 )) (( segid "KH " and resid 104 and name HD2 )) OR { 889} (( segid "KH " and resid 104 and name HG2 )) (( segid "KH " and resid 104 and name HD3 )) ASSI { 894} (( segid "KH " and resid 104 and name HG2 )) (( segid "KH " and resid 104 and name HA )) 3.100 1.200 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.92371E-03 ppm1 1.201 ppm2 4.609 CV 1 ASSI { 900} (( segid "KH " and resid 104 and name HD2 )) (( segid "KH " and resid 104 and name HE2 )) 2.100 0.500 0.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13154E-01 ppm1 1.629 ppm2 2.898 CV 1 OR { 900} (( segid "KH " and resid 104 and name HD3 )) (( segid "KH " and resid 104 and name HE3 )) OR { 900} (( segid "KH " and resid 104 and name HD2 )) (( segid "KH " and resid 104 and name HE3 )) OR { 900} (( segid "KH " and resid 104 and name HD3 )) (( segid "KH " and resid 104 and name HE2 )) ASSI { 905} (( segid "KH " and resid 105 and name HA )) (( segid "KH " and resid 105 and name HB2 )) 3.000 1.100 1.100 peak 905 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 4.910 ppm2 1.477 CV 1 ASSI { 927} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 88 and name HA )) 3.500 1.600 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.15776E-02 ppm1 0.747 ppm2 3.798 CV 1 ASSI { 930} (( segid "KH " and resid 105 and name HG )) ( segid "KH " and resid 88 and name HD% ) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.24219E-02 ppm1 0.745 ppm2 7.334 CV 1 ASSI { 931} (( segid "KH " and resid 105 and name HG )) ( segid "KH " and resid 97 and name HD% ) 2.400 2.400 3.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 0.745 ppm2 7.238 CV 1 ASSI { 940} ( segid "KH " and resid 105 and name HD2%) (( segid "KH " and resid 105 and name HG )) 2.100 0.500 0.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.10284E-01 ppm1 -0.209 ppm2 0.734 CV 1 ASSI { 942} ( segid "KH " and resid 105 and name HD2%) (( segid "KH " and resid 105 and name HB3 )) 2.700 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21391E-02 ppm1 -0.207 ppm2 1.377 CV 1 ASSI { 945} ( segid "KH " and resid 105 and name HD2%) (( segid "KH " and resid 88 and name HA )) 3.400 1.400 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.14650E-02 ppm1 -0.206 ppm2 3.798 CV 1 ASSI { 947} ( segid "KH " and resid 105 and name HD2%) ( segid "KH " and resid 88 and name HE% ) 3.400 1.400 1.400 peak 947 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 -0.206 ppm2 7.061 CV 1 ASSI { 955} (( segid "KH " and resid 108 and name HA )) (( segid "KH " and resid 108 and name HB2 )) 3.700 1.700 1.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.63793E-03 ppm1 6.065 ppm2 3.252 CV 1 ASSI { 964} (( segid "KH " and resid 108 and name HB3 )) ( segid "KH " and resid 153 and name HG2%) 3.100 1.200 1.200 peak 964 spectrum 1 weight 0.10000E+01 volume 0.90481E-03 ppm1 3.021 ppm2 0.466 CV 1 ASSI { 975} (( segid "KH " and resid 109 and name HA )) (( segid "KH " and resid 109 and name HB )) 2.400 0.700 0.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.44251E-02 ppm1 4.637 ppm2 1.814 CV 1 ASSI { 977} (( segid "KH " and resid 109 and name HA )) (( segid "KH " and resid 109 and name HG13)) 3.100 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.21231E-02 ppm1 4.637 ppm2 1.025 CV 1 ASSI { 981} ( segid "KH " and resid 109 and name HD1%) (( segid "KH " and resid 109 and name HG13)) 2.200 0.600 0.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.74006E-02 ppm1 0.715 ppm2 1.006 CV 1 ASSI { 982} ( segid "KH " and resid 109 and name HD1%) (( segid "KH " and resid 109 and name HG12)) 2.200 0.600 0.600 peak 982 spectrum 1 weight 0.10000E+01 volume 0.71948E-02 ppm1 0.712 ppm2 1.321 CV 1 ASSI { 983} ( segid "KH " and resid 109 and name HD1%) (( segid "KH " and resid 109 and name HB )) 2.200 0.600 0.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.84808E-02 ppm1 0.715 ppm2 1.832 CV 1 ASSI { 984} ( segid "KH " and resid 109 and name HD1%) (( segid "KH " and resid 109 and name HA )) 4.000 2.000 2.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 0.715 ppm2 4.640 CV 1 ASSI { 987} (( segid "KH " and resid 109 and name HG13)) (( segid "KH " and resid 109 and name HB )) 2.500 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 1.009 ppm2 1.824 CV 1 ASSI { 988} (( segid "KH " and resid 109 and name HG12)) (( segid "KH " and resid 109 and name HB )) 2.700 0.900 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.40084E-02 ppm1 1.325 ppm2 1.830 CV 1 ASSI { 995} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 109 and name HG12)) 2.200 0.600 0.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.76151E-02 ppm1 0.852 ppm2 1.321 CV 1 ASSI { 1011} (( segid "KH " and resid 110 and name HB3 )) (( segid "KH " and resid 110 and name HG3 )) 2.900 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 1.516 ppm2 1.356 CV 1 ASSI { 1030} (( segid "KH " and resid 110 and name HD3 )) (( segid "KH " and resid 110 and name HG3 )) 2.500 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.66776E-02 ppm1 2.920 ppm2 1.348 CV 1 ASSI { 1032} (( segid "KH " and resid 110 and name HD2 )) (( segid "KH " and resid 110 and name HG3 )) 2.300 0.700 0.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.53245E-02 ppm1 2.979 ppm2 1.351 CV 1 ASSI { 1037} (( segid "KH " and resid 110 and name HD2 )) (( segid "KH " and resid 153 and name HA )) 3.100 1.200 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.27161E-02 ppm1 2.980 ppm2 4.625 CV 1 ASSI { 1038} (( segid "KH " and resid 110 and name HD3 )) ( segid "KH " and resid 153 and name HD1%) 2.800 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 2.919 ppm2 0.642 CV 1 ASSI { 1039} (( segid "KH " and resid 110 and name HD2 )) ( segid "KH " and resid 153 and name HD1%) 3.300 1.400 1.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.11183E-02 ppm1 2.979 ppm2 0.647 CV 1 ASSI { 1051} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 154 and name HB )) 3.100 1.200 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.26165E-02 ppm1 0.461 ppm2 1.831 CV 1 ASSI { 1053} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 110 and name HD3 )) 3.000 1.100 1.100 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 0.457 ppm2 2.918 CV 1 ASSI { 1059} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 110 and name HA )) 3.300 1.400 1.400 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 0.460 ppm2 5.237 CV 1 ASSI { 1108} ( segid "KH " and resid 111 and name HG1%) (( segid "KH " and resid 111 and name HA )) 2.500 0.800 0.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.53539E-02 ppm1 0.726 ppm2 4.875 CV 1 ASSI { 1121} (( segid "KH " and resid 30 and name HA )) ( segid "KH " and resid 68 and name HG2%) 2.900 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.35653E-02 ppm1 4.504 ppm2 0.809 CV 1 OR { 1121} (( segid "KH " and resid 30 and name HA )) ( segid "KH " and resid 68 and name HG1%) ASSI { 1124} (( segid "KH " and resid 112 and name HB3 )) (( segid "KH " and resid 112 and name HB2 )) 1.900 0.400 0.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.66988E-02 ppm1 1.819 ppm2 2.483 CV 1 ASSI { 1126} (( segid "KH " and resid 112 and name HB2 )) (( segid "KH " and resid 112 and name HA )) 3.000 1.100 1.100 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.22744E-02 ppm1 2.488 ppm2 4.495 CV 1 ASSI { 1130} (( segid "KH " and resid 112 and name HG3 )) (( segid "KH " and resid 112 and name HB3 )) 2.100 0.500 0.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.97331E-02 ppm1 2.049 ppm2 1.813 CV 1 OR { 1130} (( segid "KH " and resid 112 and name HG2 )) (( segid "KH " and resid 112 and name HB3 )) ASSI { 1132} (( segid "KH " and resid 112 and name HG2 )) (( segid "KH " and resid 112 and name HA )) 2.700 0.900 0.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.38515E-02 ppm1 2.051 ppm2 4.511 CV 1 OR { 1132} (( segid "KH " and resid 112 and name HG3 )) (( segid "KH " and resid 112 and name HA )) ASSI { 1135} (( segid "KH " and resid 112 and name HD3 )) (( segid "KH " and resid 112 and name HD2 )) 2.200 0.600 0.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.21689E-02 ppm1 3.360 ppm2 3.919 CV 1 ASSI { 1140} (( segid "KH " and resid 112 and name HD3 )) (( segid "KH " and resid 111 and name HA )) 2.600 0.800 0.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.16961E-02 ppm1 3.358 ppm2 4.870 CV 1 ASSI { 1141} (( segid "KH " and resid 112 and name HD3 )) (( segid "KH " and resid 112 and name HG2 )) 2.700 0.900 0.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.18718E-02 ppm1 3.358 ppm2 2.031 CV 1 OR { 1141} (( segid "KH " and resid 112 and name HD3 )) (( segid "KH " and resid 112 and name HG3 )) ASSI { 1142} (( segid "KH " and resid 112 and name HD3 )) (( segid "KH " and resid 112 and name HB3 )) 3.800 1.800 1.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 3.356 ppm2 1.799 CV 1 ASSI { 1145} (( segid "KH " and resid 113 and name HA )) ( segid "KH " and resid 152 and name HG2%) 2.400 0.700 0.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.45725E-02 ppm1 3.912 ppm2 0.538 CV 1 ASSI { 1147} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 151 and name HG2 )) 3.500 1.500 1.500 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 3.911 ppm2 2.253 CV 1 OR { 1147} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 151 and name HB2 )) ASSI { 1167} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 112 and name HB3 )) 3.200 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.45764E-02 ppm1 1.340 ppm2 1.820 CV 1 ASSI { 1170} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 112 and name HD3 )) 3.900 1.900 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.16991E-02 ppm1 1.342 ppm2 3.372 CV 1 ASSI { 1183} (( segid "KH " and resid 120 and name HB )) ( segid "KH " and resid 119 and name HG1%) 3.200 1.300 1.300 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.24980E-02 ppm1 1.708 ppm2 0.818 CV 1 ASSI { 1186} (( segid "KH " and resid 117 and name HA3 )) (( segid "KH " and resid 120 and name HB )) 3.600 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.70685E-03 ppm1 3.848 ppm2 1.715 CV 1 OR { 1186} (( segid "KH " and resid 117 and name HA2 )) (( segid "KH " and resid 120 and name HB )) ASSI { 1198} (( segid "KH " and resid 102 and name HB2 )) (( segid "KH " and resid 104 and name HG3 )) 3.000 1.100 1.100 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.26509E-02 ppm1 1.842 ppm2 1.091 CV 1 ASSI { 1210} (( segid "KH " and resid 119 and name HA )) ( segid "KH " and resid 119 and name HG2%) 2.700 0.900 0.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.34844E-02 ppm1 3.647 ppm2 0.727 CV 1 ASSI { 1225} (( segid "KH " and resid 24 and name HB )) ( segid "KH " and resid 25 and name HG1%) 4.400 2.400 1.600 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.27484E-03 ppm1 3.749 ppm2 0.830 CV 1 ASSI { 1227} (( segid "KH " and resid 134 and name HA )) ( segid "KH " and resid 134 and name HG2%) 2.900 1.000 1.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.19663E-02 ppm1 4.326 ppm2 1.096 CV 1 ASSI { 1237} (( segid "KH " and resid 130 and name HB2 )) ( segid "KH " and resid 130 and name HD1%) 2.700 0.900 0.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.28153E-02 ppm1 1.921 ppm2 0.796 CV 1 OR { 1237} (( segid "KH " and resid 130 and name HB2 )) ( segid "KH " and resid 130 and name HD2%) ASSI { 1247} ( segid "KH " and resid 130 and name HD2%) ( segid "KH " and resid 136 and name HB% ) 2.200 2.200 3.800 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.16293E-01 ppm1 0.766 ppm2 0.909 CV 1 OR { 1247} ( segid "KH " and resid 130 and name HD1%) ( segid "KH " and resid 136 and name HB% ) ASSI { 1251} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 130 and name HB3 )) 2.400 0.700 0.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.55010E-02 ppm1 0.764 ppm2 1.438 CV 1 OR { 1251} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 130 and name HB3 )) ASSI { 1252} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 130 and name HB2 )) 3.000 1.100 1.100 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.25480E-02 ppm1 0.761 ppm2 1.911 CV 1 ASSI { 1253} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 130 and name HA )) 3.100 1.200 1.200 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 0.797 ppm2 4.050 CV 1 OR { 1253} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 130 and name HA )) ASSI { 1254} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 130 and name HA )) 3.100 1.200 1.200 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 0.757 ppm2 4.054 CV 1 ASSI { 1269} (( segid "KH " and resid 131 and name HG3 )) ( segid "KH " and resid 136 and name HB% ) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.81570E-03 ppm1 2.463 ppm2 0.939 CV 1 ASSI { 1275} (( segid "KH " and resid 133 and name HB2 )) (( segid "KH " and resid 133 and name HG )) 3.900 1.900 1.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.44714E-03 ppm1 1.765 ppm2 1.095 CV 1 ASSI { 1280} (( segid "KH " and resid 133 and name HB3 )) (( segid "KH " and resid 133 and name HG )) 3.000 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.93716E-03 ppm1 1.587 ppm2 1.085 CV 1 ASSI { 1281} (( segid "KH " and resid 133 and name HB3 )) ( segid "KH " and resid 133 and name HD1%) 2.700 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.40028E-02 ppm1 1.592 ppm2 0.853 CV 1 OR { 1281} (( segid "KH " and resid 133 and name HB3 )) ( segid "KH " and resid 133 and name HD2%) ASSI { 1286} ( segid "KH " and resid 133 and name HD2%) (( segid "KH " and resid 133 and name HB3 )) 2.500 0.800 0.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.62577E-02 ppm1 0.830 ppm2 1.587 CV 1 ASSI { 1318} (( segid "KH " and resid 139 and name HB )) ( segid "KH " and resid 139 and name HG1%) 2.100 0.600 0.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.10771E-01 ppm1 1.767 ppm2 0.789 CV 1 OR { 1318} (( segid "KH " and resid 139 and name HB )) ( segid "KH " and resid 139 and name HG2%) ASSI { 1328} (( segid "KH " and resid 140 and name HB )) ( segid "KH " and resid 120 and name HD1%) 2.300 2.300 3.700 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.81781E-02 ppm1 2.044 ppm2 0.761 CV 1 ASSI { 1330} (( segid "KH " and resid 140 and name HB )) (( segid "KH " and resid 140 and name HA )) 2.700 0.900 0.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.20042E-02 ppm1 2.033 ppm2 4.605 CV 1 ASSI { 1380} (( segid "KH " and resid 145 and name HB )) (( segid "KH " and resid 146 and name HD3 )) 3.600 1.600 1.600 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 4.029 ppm2 3.616 CV 1 ASSI { 1390} (( segid "KH " and resid 145 and name HA )) (( segid "KH " and resid 146 and name HD3 )) 2.100 0.500 0.500 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.12116E-01 ppm1 4.616 ppm2 3.624 CV 1 ASSI { 1397} (( segid "KH " and resid 146 and name HD3 )) (( segid "KH " and resid 146 and name HD2 )) 2.200 0.600 0.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.37434E-02 ppm1 3.611 ppm2 3.962 CV 1 ASSI { 1401} (( segid "KH " and resid 146 and name HG3 )) (( segid "KH " and resid 148 and name HB3 )) 2.200 0.600 0.600 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.10695E-01 ppm1 1.635 ppm2 2.036 CV 1 OR { 1401} (( segid "KH " and resid 146 and name HG2 )) (( segid "KH " and resid 148 and name HB3 )) OR { 1401} (( segid "KH " and resid 146 and name HG2 )) (( segid "KH " and resid 148 and name HB2 )) ASSI { 1402} (( segid "KH " and resid 146 and name HG3 )) (( segid "KH " and resid 146 and name HD3 )) 2.800 1.000 1.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.19663E-02 ppm1 1.635 ppm2 3.614 CV 1 OR { 1402} (( segid "KH " and resid 146 and name HG2 )) (( segid "KH " and resid 146 and name HD3 )) ASSI { 1403} (( segid "KH " and resid 146 and name HG3 )) (( segid "KH " and resid 145 and name HA )) 3.600 1.600 1.600 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 1.635 ppm2 4.627 CV 1 OR { 1403} (( segid "KH " and resid 146 and name HG2 )) (( segid "KH " and resid 145 and name HA )) ASSI { 1404} (( segid "KH " and resid 146 and name HG3 )) (( segid "KH " and resid 146 and name HA )) 3.100 1.200 1.200 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.37599E-02 ppm1 1.638 ppm2 4.337 CV 1 OR { 1404} (( segid "KH " and resid 146 and name HG2 )) (( segid "KH " and resid 146 and name HA )) ASSI { 1406} (( segid "KH " and resid 146 and name HA )) (( segid "KH " and resid 148 and name HB3 )) 3.600 1.700 1.700 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.17045E-02 ppm1 4.340 ppm2 2.037 CV 1 OR { 1406} (( segid "KH " and resid 146 and name HA )) (( segid "KH " and resid 148 and name HB2 )) ASSI { 1416} (( segid "KH " and resid 147 and name HA )) (( segid "KH " and resid 147 and name HB3 )) 2.700 0.900 0.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.37758E-02 ppm1 4.549 ppm2 2.762 CV 1 ASSI { 1419} (( segid "KH " and resid 148 and name HG2 )) (( segid "KH " and resid 148 and name HB3 )) 1.800 1.800 4.200 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.31893E-01 ppm1 2.262 ppm2 2.026 CV 1 OR { 1419} (( segid "KH " and resid 148 and name HG2 )) (( segid "KH " and resid 148 and name HB2 )) ASSI { 1420} (( segid "KH " and resid 148 and name HG3 )) (( segid "KH " and resid 148 and name HB2 )) 1.700 1.700 4.300 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.42529E-01 ppm1 2.208 ppm2 2.023 CV 1 OR { 1420} (( segid "KH " and resid 148 and name HG3 )) (( segid "KH " and resid 148 and name HB3 )) ASSI { 1441} (( segid "KH " and resid 150 and name HB2 )) (( segid "KH " and resid 150 and name HB3 )) 1.900 0.500 0.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.81570E-02 ppm1 2.377 ppm2 2.200 CV 1 ASSI { 1444} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 150 and name HB2 )) 2.000 0.500 0.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.23408E-01 ppm1 2.216 ppm2 2.390 CV 1 OR { 1444} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 150 and name HB2 )) ASSI { 1449} (( segid "KH " and resid 150 and name HA )) (( segid "KH " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 3.767 ppm2 2.371 CV 1 ASSI { 1450} (( segid "KH " and resid 150 and name HA )) (( segid "KH " and resid 150 and name HB3 )) 2.800 1.000 1.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 3.763 ppm2 2.211 CV 1 OR { 1450} (( segid "KH " and resid 150 and name HA )) (( segid "KH " and resid 150 and name HG2 )) ASSI { 1454} (( segid "KH " and resid 151 and name HA )) (( segid "KH " and resid 151 and name HG3 )) 3.100 1.200 1.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.10750E-02 ppm1 5.020 ppm2 1.788 CV 1 OR { 1454} (( segid "KH " and resid 151 and name HA )) (( segid "KH " and resid 151 and name HB3 )) ASSI { 1456} (( segid "KH " and resid 151 and name HG2 )) (( segid "KH " and resid 151 and name HG3 )) 2.100 0.500 0.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.53539E-02 ppm1 2.283 ppm2 1.802 CV 1 OR { 1456} (( segid "KH " and resid 151 and name HG2 )) (( segid "KH " and resid 151 and name HB3 )) ASSI { 1472} ( segid "KH " and resid 152 and name HG1%) (( segid "KH " and resid 152 and name HB )) 2.100 0.500 0.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.10267E-01 ppm1 0.641 ppm2 1.976 CV 1 ASSI { 1486} ( segid "KH " and resid 154 and name HG1%) (( segid "KH " and resid 154 and name HB )) 2.100 0.500 0.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 0.790 ppm2 1.823 CV 1 ASSI { 1487} ( segid "KH " and resid 154 and name HG1%) (( segid "KH " and resid 154 and name HA )) 2.300 0.700 0.700 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.80687E-02 ppm1 0.787 ppm2 4.228 CV 1 ASSI { 1519} (( segid "KH " and resid 155 and name HD3 )) ( segid "KH " and resid 139 and name HG1%) 2.400 0.700 0.700 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.44882E-02 ppm1 1.422 ppm2 0.774 CV 1 ASSI { 1521} (( segid "KH " and resid 155 and name HD2 )) ( segid "KH " and resid 139 and name HG1%) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.33816E-02 ppm1 1.472 ppm2 0.776 CV 1 ASSI { 1549} ( segid "KH " and resid 156 and name HD1%) (( segid "KH " and resid 156 and name HB )) 2.400 0.700 0.700 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.49422E-02 ppm1 0.688 ppm2 1.651 CV 1 ASSI { 1550} ( segid "KH " and resid 156 and name HD1%) (( segid "KH " and resid 167 and name HG2 )) 2.700 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.20176E-02 ppm1 0.688 ppm2 2.492 CV 1 ASSI { 1573} ( segid "KH " and resid 173 and name HD1%) (( segid "KH " and resid 170 and name HA )) 2.600 0.800 0.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.37276E-02 ppm1 0.765 ppm2 3.535 CV 1 ASSI { 1584} (( segid "KH " and resid 157 and name HG13)) (( segid "KH " and resid 106 and name HA )) 3.000 1.100 1.100 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.95061E-03 ppm1 0.999 ppm2 4.938 CV 1 ASSI { 1587} (( segid "KH " and resid 157 and name HG12)) (( segid "KH " and resid 157 and name HG13)) 2.100 0.500 0.500 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.44968E-02 ppm1 1.429 ppm2 0.987 CV 1 ASSI { 1591} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HD2 )) 2.500 0.800 0.800 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.47152E-02 ppm1 0.759 ppm2 1.629 CV 1 OR { 1591} ( segid "KH " and resid 157 and name HG2%) (( segid "KH " and resid 104 and name HD3 )) ASSI { 1602} (( segid "KH " and resid 157 and name HB )) ( segid "KH " and resid 157 and name HG2%) 2.300 0.700 0.700 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.62408E-02 ppm1 1.827 ppm2 0.762 CV 1 OR { 1602} (( segid "KH " and resid 157 and name HB )) ( segid "KH " and resid 157 and name HD1%) ASSI { 1623} (( segid "KH " and resid 160 and name HA )) ( segid "KH " and resid 160 and name HD% ) 4.300 2.300 1.700 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.47991E-03 ppm1 3.186 ppm2 6.348 CV 1 ASSI { 1630} (( segid "KH " and resid 161 and name HA )) ( segid "KH " and resid 161 and name HD% ) 3.200 1.300 1.300 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.11599E-02 ppm1 3.450 ppm2 7.120 CV 1 ASSI { 1632} (( segid "KH " and resid 161 and name HB2 )) (( segid "KH " and resid 161 and name HA )) 3.000 1.100 1.100 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.15717E-02 ppm1 2.991 ppm2 3.437 CV 1 OR { 1632} (( segid "KH " and resid 161 and name HB3 )) (( segid "KH " and resid 161 and name HA )) ASSI { 1633} (( segid "KH " and resid 161 and name HB3 )) ( segid "KH " and resid 161 and name HD% ) 2.900 1.000 1.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.20121E-02 ppm1 2.991 ppm2 7.135 CV 1 OR { 1633} (( segid "KH " and resid 161 and name HB2 )) ( segid "KH " and resid 161 and name HD% ) ASSI { 1640} (( segid "KH " and resid 165 and name HG3 )) (( segid "KH " and resid 165 and name HG2 )) 1.900 0.500 0.500 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.81570E-02 ppm1 2.344 ppm2 2.568 CV 1 ASSI { 1647} (( segid "KH " and resid 165 and name HB3 )) (( segid "KH " and resid 165 and name HA )) 2.900 1.000 1.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 2.161 ppm2 4.051 CV 1 OR { 1647} (( segid "KH " and resid 165 and name HB2 )) (( segid "KH " and resid 165 and name HA )) ASSI { 1657} (( segid "KH " and resid 164 and name HA )) (( segid "KH " and resid 167 and name HB3 )) 4.300 2.300 1.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.76190E-03 ppm1 3.611 ppm2 2.048 CV 1 ASSI { 1666} (( segid "KH " and resid 167 and name HA )) (( segid "KH " and resid 167 and name HB2 )) 3.400 1.500 1.500 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.98716E-03 ppm1 3.630 ppm2 2.160 CV 1 ASSI { 1667} (( segid "KH " and resid 167 and name HA )) (( segid "KH " and resid 167 and name HG2 )) 3.100 1.200 1.200 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.78292E-03 ppm1 3.630 ppm2 2.498 CV 1 ASSI { 1671} (( segid "KH " and resid 167 and name HG3 )) (( segid "KH " and resid 167 and name HB2 )) 2.700 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 1.821 ppm2 2.152 CV 1 ASSI { 1693} (( segid "KH " and resid 50 and name HA )) (( segid "KH " and resid 50 and name HG3 )) 2.900 1.000 1.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.39219E-02 ppm1 4.125 ppm2 1.664 CV 1 ASSI { 1700} (( segid "KH " and resid 169 and name HG3 )) (( segid "KH " and resid 172 and name HB2 )) 3.700 1.700 1.700 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.61777E-03 ppm1 1.404 ppm2 2.853 CV 1 ASSI { 1710} (( segid "KH " and resid 170 and name HA )) ( segid "KH " and resid 170 and name HG2%) 2.400 0.700 0.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.45850E-02 ppm1 3.537 ppm2 0.702 CV 1 ASSI { 1724} (( segid "KH " and resid 171 and name HA )) ( segid "KH " and resid 174 and name HD1%) 2.700 0.900 0.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.22715E-02 ppm1 3.870 ppm2 0.840 CV 1 ASSI { 1725} (( segid "KH " and resid 171 and name HA )) ( segid "KH " and resid 174 and name HD2%) 2.900 1.000 1.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.19718E-02 ppm1 3.867 ppm2 0.727 CV 1 ASSI { 1730} (( segid "KH " and resid 171 and name HB3 )) (( segid "KH " and resid 171 and name HD2 )) 3.200 1.300 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 2.022 ppm2 3.158 CV 1 OR { 1730} (( segid "KH " and resid 171 and name HB3 )) (( segid "KH " and resid 171 and name HD3 )) OR { 1730} (( segid "KH " and resid 171 and name HB2 )) (( segid "KH " and resid 171 and name HD2 )) OR { 1730} (( segid "KH " and resid 171 and name HB2 )) (( segid "KH " and resid 171 and name HD3 )) ASSI { 1734} (( segid "KH " and resid 171 and name HG3 )) (( segid "KH " and resid 171 and name HB3 )) 2.000 0.500 0.500 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.12225E-01 ppm1 1.715 ppm2 2.025 CV 1 OR { 1734} (( segid "KH " and resid 171 and name HG3 )) (( segid "KH " and resid 171 and name HB2 )) ASSI { 1746} (( segid "KH " and resid 172 and name HB3 )) (( segid "KH " and resid 172 and name HB2 )) 2.300 0.600 0.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.35329E-02 ppm1 2.670 ppm2 2.872 CV 1 ASSI { 1750} (( segid "KH " and resid 172 and name HB3 )) (( segid "KH " and resid 169 and name HA )) 3.500 1.500 1.500 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.73543E-03 ppm1 2.670 ppm2 4.133 CV 1 ASSI { 1752} (( segid "KH " and resid 172 and name HA )) (( segid "KH " and resid 172 and name HB2 )) 2.700 0.900 0.900 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.29338E-02 ppm1 4.433 ppm2 2.879 CV 1 ASSI { 1756} (( segid "KH " and resid 173 and name HA )) (( segid "KH " and resid 176 and name HB2 )) 3.300 1.400 1.400 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.97245E-03 ppm1 3.649 ppm2 2.167 CV 1 OR { 1756} (( segid "KH " and resid 173 and name HA )) (( segid "KH " and resid 176 and name HB3 )) ASSI { 1759} (( segid "KH " and resid 173 and name HA )) (( segid "KH " and resid 173 and name HG13)) 3.200 1.300 1.300 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 3.649 ppm2 0.993 CV 1 ASSI { 1777} (( segid "KH " and resid 173 and name HG13)) (( segid "KH " and resid 173 and name HB )) 2.800 0.900 0.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.15986E-02 ppm1 1.011 ppm2 1.964 CV 1 ASSI { 1782} (( segid "KH " and resid 173 and name HG12)) (( segid "KH " and resid 173 and name HA )) 3.200 1.200 1.200 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.22555E-02 ppm1 1.809 ppm2 3.662 CV 1 ASSI { 1784} (( segid "KH " and resid 174 and name HA )) (( segid "KH " and resid 177 and name HB )) 2.700 0.900 0.900 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.26892E-02 ppm1 3.897 ppm2 2.165 CV 1 ASSI { 1785} (( segid "KH " and resid 174 and name HA )) (( segid "KH " and resid 174 and name HB2 )) 2.700 0.900 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.41383E-02 ppm1 3.897 ppm2 1.870 CV 1 ASSI { 1786} (( segid "KH " and resid 174 and name HA )) (( segid "KH " and resid 174 and name HB3 )) 2.600 0.900 0.900 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.24715E-02 ppm1 3.895 ppm2 1.525 CV 1 ASSI { 1787} (( segid "KH " and resid 174 and name HA )) ( segid "KH " and resid 115 and name HB% ) 2.600 0.800 0.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.31779E-02 ppm1 3.898 ppm2 1.339 CV 1 ASSI { 1789} (( segid "KH " and resid 174 and name HA )) ( segid "KH " and resid 174 and name HD1%) 2.900 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.23093E-02 ppm1 3.891 ppm2 0.853 CV 1 ASSI { 1804} ( segid "KH " and resid 174 and name HD1%) ( segid "KH " and resid 119 and name HG2%) 1.500 1.500 4.500 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.21698E-01 ppm1 0.857 ppm2 0.727 CV 1 ASSI { 1805} ( segid "KH " and resid 174 and name HD1%) (( segid "KH " and resid 174 and name HB3 )) 2.600 0.800 0.800 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.52951E-02 ppm1 0.855 ppm2 1.514 CV 1 ASSI { 1811} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 174 and name HG )) 2.100 0.600 0.600 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.11582E-01 ppm1 0.717 ppm2 1.872 CV 1 OR { 1811} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 174 and name HB2 )) ASSI { 1813} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 112 and name HD3 )) 2.700 0.900 0.900 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.26472E-02 ppm1 0.721 ppm2 3.372 CV 1 ASSI { 1815} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 174 and name HB3 )) 2.300 0.700 0.700 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.58836E-02 ppm1 0.720 ppm2 1.505 CV 1 ASSI { 1817} (( segid "KH " and resid 64 and name HA )) (( segid "KH " and resid 64 and name HG3 )) 2.800 1.000 1.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.27543E-02 ppm1 4.290 ppm2 1.953 CV 1 ASSI { 1821} (( segid "KH " and resid 98 and name HA3 )) (( segid "KH " and resid 98 and name HN )) 2.700 0.900 0.900 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.20475E-02 ppm1 4.094 ppm2 8.536 CV 1 ASSI { 1822} (( segid "KH " and resid 98 and name HA2 )) (( segid "KH " and resid 98 and name HN )) 3.000 1.100 1.100 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.20121E-02 ppm1 4.166 ppm2 8.542 CV 1 ASSI { 1828} (( segid "KH " and resid 100 and name HA )) (( segid "KH " and resid 101 and name HN )) 2.700 0.900 0.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.30981E-02 ppm1 4.358 ppm2 7.567 CV 1 ASSI { 1830} (( segid "KH " and resid 100 and name HB3 )) (( segid "KH " and resid 100 and name HD3 )) 2.300 0.700 0.700 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.93799E-02 ppm1 2.000 ppm2 1.743 CV 1 OR { 1830} (( segid "KH " and resid 100 and name HB3 )) (( segid "KH " and resid 100 and name HD2 )) ASSI { 1832} (( segid "KH " and resid 100 and name HB3 )) (( segid "KH " and resid 101 and name HN )) 3.000 1.100 1.100 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.29413E-02 ppm1 1.998 ppm2 7.567 CV 1 ASSI { 1834} (( segid "KH " and resid 100 and name HG2 )) (( segid "KH " and resid 100 and name HD2 )) 2.200 0.600 0.600 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.95018E-02 ppm1 1.358 ppm2 1.750 CV 1 OR { 1834} (( segid "KH " and resid 100 and name HG3 )) (( segid "KH " and resid 100 and name HD3 )) OR { 1834} (( segid "KH " and resid 100 and name HG3 )) (( segid "KH " and resid 100 and name HD2 )) OR { 1834} (( segid "KH " and resid 100 and name HG2 )) (( segid "KH " and resid 100 and name HD3 )) ASSI { 1835} (( segid "KH " and resid 100 and name HG3 )) (( segid "KH " and resid 100 and name HE3 )) 2.600 0.900 0.900 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.40732E-02 ppm1 1.358 ppm2 2.930 CV 1 OR { 1835} (( segid "KH " and resid 100 and name HG2 )) (( segid "KH " and resid 100 and name HE3 )) OR { 1835} (( segid "KH " and resid 100 and name HG2 )) (( segid "KH " and resid 100 and name HE2 )) OR { 1835} (( segid "KH " and resid 100 and name HG3 )) (( segid "KH " and resid 100 and name HE2 )) ASSI { 1839} (( segid "KH " and resid 101 and name HB2 )) (( segid "KH " and resid 102 and name HN )) 3.600 1.600 1.600 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.18419E-02 ppm1 2.105 ppm2 8.442 CV 1 ASSI { 1840} (( segid "KH " and resid 101 and name HB3 )) (( segid "KH " and resid 102 and name HN )) 3.400 1.400 1.400 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 1.999 ppm2 8.442 CV 1 ASSI { 1842} (( segid "KH " and resid 102 and name HA )) (( segid "KH " and resid 102 and name HN )) 2.700 0.900 0.900 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.24677E-02 ppm1 4.292 ppm2 8.441 CV 1 ASSI { 1843} (( segid "KH " and resid 102 and name HA )) (( segid "KH " and resid 103 and name HN )) 2.300 0.700 0.700 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.54927E-02 ppm1 4.292 ppm2 8.553 CV 1 ASSI { 1848} (( segid "KH " and resid 137 and name HB2 )) ( segid "KH " and resid 157 and name HD1%) 3.300 1.300 1.300 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.37979E-02 ppm1 2.181 ppm2 0.786 CV 1 OR { 1848} (( segid "KH " and resid 137 and name HB2 )) ( segid "KH " and resid 157 and name HG2%) ASSI { 1850} (( segid "KH " and resid 102 and name HG3 )) (( segid "KH " and resid 103 and name HN )) 3.300 1.400 1.400 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.26051E-02 ppm1 2.183 ppm2 8.553 CV 1 OR { 1850} (( segid "KH " and resid 102 and name HG2 )) (( segid "KH " and resid 103 and name HN )) ASSI { 1856} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 104 and name HN )) 2.600 0.900 0.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.36681E-02 ppm1 0.503 ppm2 6.930 CV 1 ASSI { 1857} ( segid "KH " and resid 103 and name HG1%) (( segid "KH " and resid 104 and name HN )) 3.100 1.200 1.200 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.20176E-02 ppm1 0.849 ppm2 6.917 CV 1 ASSI { 1860} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 91 and name HN )) 3.300 3.300 2.700 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.17314E-02 ppm1 0.503 ppm2 7.571 CV 1 ASSI { 1861} ( segid "KH " and resid 103 and name HG2%) (( segid "KH " and resid 158 and name HN )) 3.500 3.500 2.500 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 0.503 ppm2 8.254 CV 1 ASSI { 1868} (( segid "KH " and resid 104 and name HD3 )) (( segid "KH " and resid 104 and name HA )) 2.700 0.900 0.900 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.23500E-02 ppm1 1.630 ppm2 4.616 CV 1 OR { 1868} (( segid "KH " and resid 104 and name HD2 )) (( segid "KH " and resid 104 and name HA )) ASSI { 1870} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 105 and name HB3 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.18852E-02 ppm1 0.746 ppm2 1.370 CV 1 ASSI { 1871} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 106 and name HB2 )) 3.200 3.200 2.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.26968E-02 ppm1 0.745 ppm2 2.064 CV 1 ASSI { 1872} (( segid "KH " and resid 105 and name HG )) (( segid "KH " and resid 91 and name HN )) 3.800 3.800 2.200 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.21500E-02 ppm1 0.745 ppm2 7.552 CV 1 ASSI { 1879} (( segid "KH " and resid 106 and name HA )) (( segid "KH " and resid 106 and name HB3 )) 3.000 1.100 1.100 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.12549E-02 ppm1 4.906 ppm2 1.955 CV 1 ASSI { 1880} (( segid "KH " and resid 106 and name HB2 )) (( segid "KH " and resid 106 and name HB3 )) 2.300 0.700 0.700 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.26282E-02 ppm1 2.047 ppm2 1.958 CV 1 ASSI { 1883} (( segid "KH " and resid 106 and name HB2 )) (( segid "KH " and resid 106 and name HN )) 2.800 1.000 1.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 2.045 ppm2 8.982 CV 1 ASSI { 1884} (( segid "KH " and resid 106 and name HB3 )) (( segid "KH " and resid 106 and name HN )) 3.600 1.600 1.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.11397E-02 ppm1 1.958 ppm2 8.982 CV 1 ASSI { 1887} ( segid "KH " and resid 107 and name HG2%) (( segid "KH " and resid 107 and name HN )) 3.200 1.200 1.200 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 1.067 ppm2 9.357 CV 1 ASSI { 1889} (( segid "KH " and resid 109 and name HB )) (( segid "KH " and resid 110 and name HN )) 3.100 1.200 1.200 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.16175E-02 ppm1 1.836 ppm2 8.567 CV 1 ASSI { 1893} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 110 and name HN )) 3.400 1.400 1.400 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.31779E-02 ppm1 0.854 ppm2 8.570 CV 1 ASSI { 1894} ( segid "KH " and resid 109 and name HG2%) (( segid "KH " and resid 109 and name HN )) 3.000 1.100 1.100 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.20151E-02 ppm1 0.852 ppm2 8.822 CV 1 ASSI { 1897} (( segid "KH " and resid 110 and name HG2 )) (( segid "KH " and resid 110 and name HN )) 2.600 2.600 3.400 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 1.577 ppm2 8.564 CV 1 ASSI { 1900} ( segid "KH " and resid 111 and name HG2%) (( segid "KH " and resid 112 and name HD3 )) 3.800 1.800 1.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.92917E-03 ppm1 0.519 ppm2 3.367 CV 1 ASSI { 1901} ( segid "KH " and resid 111 and name HG2%) ( segid "KH " and resid 115 and name HB% ) 2.400 0.700 0.700 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.50807E-02 ppm1 0.529 ppm2 1.345 CV 1 ASSI { 1902} ( segid "KH " and resid 111 and name HG1%) (( segid "KH " and resid 112 and name HD3 )) 3.400 1.400 1.400 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.23366E-02 ppm1 0.731 ppm2 3.365 CV 1 ASSI { 1903} ( segid "KH " and resid 111 and name HG1%) (( segid "KH " and resid 116 and name HA )) 2.900 1.000 1.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.22824E-02 ppm1 0.731 ppm2 3.590 CV 1 ASSI { 1904} ( segid "KH " and resid 111 and name HG1%) ( segid "KH " and resid 111 and name HG2%) 2.000 0.500 0.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.19832E-01 ppm1 0.728 ppm2 0.531 CV 1 ASSI { 1905} ( segid "KH " and resid 63 and name HG2%) (( segid "KH " and resid 62 and name HG2 )) 2.800 2.800 3.200 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.29602E-02 ppm1 1.190 ppm2 2.358 CV 1 OR { 1905} ( segid "KH " and resid 63 and name HG2%) (( segid "KH " and resid 62 and name HG3 )) ASSI { 1910} (( segid "KH " and resid 111 and name HB )) (( segid "KH " and resid 112 and name HD3 )) 3.600 1.600 1.600 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.11561E-02 ppm1 1.960 ppm2 3.369 CV 1 ASSI { 1913} (( segid "KH " and resid 112 and name HG3 )) (( segid "KH " and resid 174 and name HB3 )) 2.600 0.900 0.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.26968E-02 ppm1 2.049 ppm2 1.502 CV 1 OR { 1913} (( segid "KH " and resid 112 and name HG2 )) (( segid "KH " and resid 174 and name HB3 )) ASSI { 1916} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 144 and name HG3 )) 3.500 3.500 2.500 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.25324E-02 ppm1 3.911 ppm2 2.126 CV 1 OR { 1916} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 144 and name HG2 )) ASSI { 1917} (( segid "KH " and resid 113 and name HA )) (( segid "KH " and resid 152 and name HB )) 3.600 1.600 1.600 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.22660E-02 ppm1 3.911 ppm2 1.952 CV 1 ASSI { 1919} (( segid "KH " and resid 114 and name HA )) (( segid "KH " and resid 113 and name HA )) 2.800 2.800 3.200 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.31666E-02 ppm1 4.216 ppm2 3.900 CV 1 ASSI { 1922} ( segid "KH " and resid 115 and name HB% ) (( segid "KH " and resid 115 and name HN )) 2.300 0.700 0.700 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.49967E-02 ppm1 1.338 ppm2 7.752 CV 1 ASSI { 1931} (( segid "KH " and resid 121 and name HA2 )) (( segid "KH " and resid 121 and name HA3 )) 2.500 0.800 0.800 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.21664E-02 ppm1 3.917 ppm2 4.089 CV 1 ASSI { 1932} (( segid "KH " and resid 121 and name HA2 )) (( segid "KH " and resid 121 and name HN )) 3.500 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 3.915 ppm2 7.920 CV 1 ASSI { 1934} (( segid "KH " and resid 128 and name HB2 )) (( segid "KH " and resid 128 and name HD22)) 4.000 2.000 2.000 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.97625E-03 ppm1 2.851 ppm2 6.808 CV 1 OR { 1934} (( segid "KH " and resid 128 and name HB3 )) (( segid "KH " and resid 128 and name HD22)) ASSI { 1935} (( segid "KH " and resid 128 and name HB2 )) (( segid "KH " and resid 128 and name HD21)) 2.800 1.000 1.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.20096E-02 ppm1 2.851 ppm2 7.534 CV 1 OR { 1935} (( segid "KH " and resid 128 and name HB3 )) (( segid "KH " and resid 128 and name HD21)) ASSI { 1936} (( segid "KH " and resid 128 and name HB3 )) (( segid "KH " and resid 128 and name HN )) 2.600 0.900 0.900 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.31742E-02 ppm1 2.852 ppm2 8.050 CV 1 OR { 1936} (( segid "KH " and resid 128 and name HB2 )) (( segid "KH " and resid 128 and name HN )) ASSI { 1938} (( segid "KH " and resid 128 and name HB2 )) (( segid "KH " and resid 129 and name HN )) 3.200 1.300 1.300 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 2.852 ppm2 8.138 CV 1 OR { 1938} (( segid "KH " and resid 128 and name HB3 )) (( segid "KH " and resid 129 and name HN )) ASSI { 1939} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 130 and name HG )) 2.500 0.800 0.800 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.41383E-02 ppm1 0.766 ppm2 1.731 CV 1 OR { 1939} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 130 and name HG )) ASSI { 1940} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 169 and name HA )) 3.400 1.400 1.400 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.14667E-02 ppm1 0.757 ppm2 4.150 CV 1 ASSI { 1941} ( segid "KH " and resid 130 and name HD1%) (( segid "KH " and resid 169 and name HA )) 3.400 1.400 1.400 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 0.795 ppm2 4.155 CV 1 OR { 1941} ( segid "KH " and resid 130 and name HD2%) (( segid "KH " and resid 169 and name HA )) ASSI { 1942} (( segid "KH " and resid 131 and name HB2 )) (( segid "KH " and resid 131 and name HE22)) 3.600 1.600 1.600 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 2.194 ppm2 6.816 CV 1 OR { 1942} (( segid "KH " and resid 131 and name HB3 )) (( segid "KH " and resid 131 and name HE22)) ASSI { 1943} (( segid "KH " and resid 131 and name HB3 )) (( segid "KH " and resid 128 and name HA )) 3.200 1.300 1.300 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.11805E-02 ppm1 2.188 ppm2 4.511 CV 1 OR { 1943} (( segid "KH " and resid 131 and name HB2 )) (( segid "KH " and resid 128 and name HA )) ASSI { 1945} ( segid "KH " and resid 133 and name HD1%) (( segid "KH " and resid 133 and name HG )) 2.300 0.700 0.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.71399E-02 ppm1 0.864 ppm2 1.079 CV 1 ASSI { 1946} (( segid "KH " and resid 134 and name HA )) ( segid "KH " and resid 170 and name HD1%) 3.400 3.400 2.600 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.29602E-02 ppm1 4.316 ppm2 0.639 CV 1 ASSI { 1948} (( segid "KH " and resid 134 and name HB )) ( segid "KH " and resid 134 and name HG2%) 2.800 1.000 1.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 4.108 ppm2 1.099 CV 1 ASSI { 1949} (( segid "KH " and resid 135 and name HA )) (( segid "KH " and resid 135 and name HN )) 2.600 0.900 0.900 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.27199E-02 ppm1 4.108 ppm2 8.010 CV 1 ASSI { 1951} ( segid "KH " and resid 135 and name HB% ) (( segid "KH " and resid 135 and name HN )) 2.900 1.000 1.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 1.571 ppm2 8.016 CV 1 ASSI { 1953} ( segid "KH " and resid 136 and name HB% ) (( segid "KH " and resid 137 and name HN )) 2.600 0.800 0.800 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.29262E-02 ppm1 0.932 ppm2 8.442 CV 1 ASSI { 1957} (( segid "KH " and resid 137 and name HB3 )) (( segid "KH " and resid 138 and name HN )) 3.900 1.900 1.900 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.82412E-03 ppm1 2.019 ppm2 8.308 CV 1 ASSI { 1958} (( segid "KH " and resid 68 and name HB )) ( segid "KH " and resid 68 and name HG2%) 2.100 0.600 0.600 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.10788E-01 ppm1 2.019 ppm2 0.793 CV 1 OR { 1958} (( segid "KH " and resid 68 and name HB )) ( segid "KH " and resid 68 and name HG1%) ASSI { 1959} (( segid "KH " and resid 138 and name HB )) (( segid "KH " and resid 130 and name HB3 )) 2.500 2.500 3.500 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.37656E-02 ppm1 1.771 ppm2 1.416 CV 1 ASSI { 1960} (( segid "KH " and resid 138 and name HB )) (( segid "KH " and resid 138 and name HN )) 3.000 1.100 1.100 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.11049E-02 ppm1 1.767 ppm2 8.284 CV 1 ASSI { 1963} ( segid "KH " and resid 138 and name HG2%) (( segid "KH " and resid 138 and name HN )) 3.100 1.200 1.200 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.14953E-02 ppm1 0.594 ppm2 8.277 CV 1 ASSI { 1964} ( segid "KH " and resid 138 and name HG1%) (( segid "KH " and resid 138 and name HN )) 2.900 1.000 1.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.31283E-02 ppm1 0.678 ppm2 8.280 CV 1 ASSI { 1965} ( segid "KH " and resid 138 and name HG2%) (( segid "KH " and resid 139 and name HN )) 3.200 1.300 1.300 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.35277E-02 ppm1 0.592 ppm2 9.057 CV 1 ASSI { 1966} ( segid "KH " and resid 138 and name HG1%) (( segid "KH " and resid 139 and name HN )) 2.700 0.900 0.900 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.39113E-02 ppm1 0.676 ppm2 9.056 CV 1 ASSI { 1970} (( segid "KH " and resid 138 and name HA )) (( segid "KH " and resid 139 and name HN )) 2.600 0.900 0.900 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.23337E-02 ppm1 4.880 ppm2 9.061 CV 1 ASSI { 1972} (( segid "KH " and resid 139 and name HA )) (( segid "KH " and resid 139 and name HN )) 2.700 0.900 0.900 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.25820E-02 ppm1 4.221 ppm2 9.054 CV 1 ASSI { 1973} ( segid "KH " and resid 139 and name HG1%) (( segid "KH " and resid 139 and name HN )) 2.300 0.600 0.600 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.92579E-02 ppm1 0.791 ppm2 9.052 CV 1 OR { 1973} ( segid "KH " and resid 139 and name HG2%) (( segid "KH " and resid 139 and name HN )) ASSI { 1975} (( segid "KH " and resid 60 and name HD2 )) (( segid "KH " and resid 60 and name HD3 )) 1.400 0.300 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.41257E-01 ppm1 3.686 ppm2 3.544 CV 1 ASSI { 1976} (( segid "KH " and resid 141 and name HA )) (( segid "KH " and resid 142 and name HG2 )) 3.600 1.700 1.700 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 4.229 ppm2 1.825 CV 1 OR { 1976} (( segid "KH " and resid 141 and name HA )) (( segid "KH " and resid 142 and name HG3 )) ASSI { 1979} (( segid "KH " and resid 142 and name HA )) (( segid "KH " and resid 143 and name HN )) 2.900 1.000 1.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.22610E-02 ppm1 4.234 ppm2 8.681 CV 1 ASSI { 1984} (( segid "KH " and resid 144 and name HG2 )) (( segid "KH " and resid 144 and name HN )) 3.300 1.300 1.300 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.22122E-02 ppm1 2.109 ppm2 7.898 CV 1 OR { 1984} (( segid "KH " and resid 144 and name HG3 )) (( segid "KH " and resid 144 and name HN )) ASSI { 1987} (( segid "KH " and resid 144 and name HB2 )) (( segid "KH " and resid 144 and name HN )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.29069E-02 ppm1 1.873 ppm2 7.897 CV 1 OR { 1987} (( segid "KH " and resid 144 and name HB3 )) (( segid "KH " and resid 144 and name HN )) ASSI { 1989} (( segid "KH " and resid 144 and name HA )) (( segid "KH " and resid 144 and name HN )) 2.700 0.900 0.900 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.27846E-02 ppm1 4.365 ppm2 7.897 CV 1 ASSI { 1991} (( segid "KH " and resid 145 and name HB )) (( segid "KH " and resid 145 and name HN )) 3.400 1.400 1.400 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.20744E-02 ppm1 4.025 ppm2 8.692 CV 1 ASSI { 1992} ( segid "KH " and resid 145 and name HG2%) (( segid "KH " and resid 145 and name HN )) 3.000 1.100 1.100 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 1.240 ppm2 8.695 CV 1 ASSI { 1993} (( segid "KH " and resid 146 and name HG2 )) (( segid "KH " and resid 146 and name HD2 )) 2.700 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 1.635 ppm2 3.962 CV 1 OR { 1993} (( segid "KH " and resid 146 and name HG3 )) (( segid "KH " and resid 146 and name HD2 )) ASSI { 1994} (( segid "KH " and resid 146 and name HA )) ( segid "KH " and resid 152 and name HG1%) 2.900 2.900 3.100 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.22177E-02 ppm1 4.343 ppm2 0.630 CV 1 ASSI { 1997} (( segid "KH " and resid 148 and name HB3 )) (( segid "KH " and resid 148 and name HN )) 3.100 1.200 1.200 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 2.024 ppm2 9.160 CV 1 OR { 1997} (( segid "KH " and resid 148 and name HB2 )) (( segid "KH " and resid 148 and name HN )) ASSI { 1998} (( segid "KH " and resid 148 and name HG2 )) (( segid "KH " and resid 149 and name HN )) 3.000 1.100 1.100 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 2.261 ppm2 8.366 CV 1 ASSI { 1999} (( segid "KH " and resid 148 and name HG3 )) (( segid "KH " and resid 149 and name HN )) 3.500 1.500 1.500 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.24866E-02 ppm1 2.212 ppm2 8.369 CV 1 ASSI { 2000} (( segid "KH " and resid 148 and name HG2 )) (( segid "KH " and resid 148 and name HN )) 3.900 1.900 1.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.14629E-02 ppm1 2.261 ppm2 9.160 CV 1 ASSI { 2001} (( segid "KH " and resid 148 and name HG3 )) (( segid "KH " and resid 148 and name HN )) 4.200 2.200 1.800 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.10019E-02 ppm1 2.212 ppm2 9.160 CV 1 ASSI { 2003} (( segid "KH " and resid 148 and name HA )) (( segid "KH " and resid 148 and name HN )) 3.100 1.200 1.200 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.14133E-02 ppm1 4.169 ppm2 9.157 CV 1 ASSI { 2005} (( segid "KH " and resid 149 and name HB2 )) (( segid "KH " and resid 149 and name HD22)) 3.800 1.800 1.800 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.11036E-02 ppm1 2.911 ppm2 6.851 CV 1 ASSI { 2006} (( segid "KH " and resid 149 and name HB3 )) (( segid "KH " and resid 149 and name HD22)) 3.800 1.800 1.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.10775E-02 ppm1 2.602 ppm2 6.847 CV 1 ASSI { 2007} (( segid "KH " and resid 149 and name HB3 )) (( segid "KH " and resid 149 and name HD21)) 3.100 1.200 1.200 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.13616E-02 ppm1 2.602 ppm2 7.809 CV 1 ASSI { 2008} (( segid "KH " and resid 149 and name HB2 )) (( segid "KH " and resid 149 and name HD21)) 2.900 1.100 1.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 2.911 ppm2 7.805 CV 1 ASSI { 2012} (( segid "KH " and resid 149 and name HA )) (( segid "KH " and resid 150 and name HN )) 3.300 1.400 1.400 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.10372E-02 ppm1 4.938 ppm2 8.549 CV 1 ASSI { 2015} (( segid "KH " and resid 150 and name HB2 )) (( segid "KH " and resid 150 and name HN )) 4.200 2.200 1.800 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.84134E-03 ppm1 2.369 ppm2 8.533 CV 1 ASSI { 2017} (( segid "KH " and resid 150 and name HB3 )) (( segid "KH " and resid 150 and name HN )) 3.100 1.200 1.200 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 2.211 ppm2 8.531 CV 1 ASSI { 2018} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 150 and name HN )) 2.600 0.900 0.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.49673E-02 ppm1 2.212 ppm2 8.544 CV 1 OR { 2018} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 150 and name HN )) ASSI { 2019} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 151 and name HN )) 2.800 1.000 1.000 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.31208E-02 ppm1 2.212 ppm2 8.436 CV 1 OR { 2019} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 151 and name HN )) ASSI { 2020} (( segid "KH " and resid 150 and name HG2 )) (( segid "KH " and resid 149 and name HA )) 3.100 1.200 1.200 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 2.210 ppm2 4.938 CV 1 OR { 2020} (( segid "KH " and resid 150 and name HG3 )) (( segid "KH " and resid 149 and name HA )) ASSI { 2025} (( segid "KH " and resid 151 and name HG3 )) (( segid "KH " and resid 151 and name HN )) 3.900 1.900 1.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 1.800 ppm2 8.443 CV 1 ASSI { 2026} (( segid "KH " and resid 151 and name HG2 )) (( segid "KH " and resid 151 and name HN )) 3.100 3.100 2.900 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.33119E-02 ppm1 2.283 ppm2 8.438 CV 1 ASSI { 2027} (( segid "KH " and resid 151 and name HG3 )) (( segid "KH " and resid 152 and name HN )) 3.100 1.200 1.200 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.12700E-02 ppm1 1.800 ppm2 9.009 CV 1 ASSI { 2028} (( segid "KH " and resid 151 and name HA )) ( segid "KH " and resid 152 and name HG2%) 3.500 1.600 1.600 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.12872E-02 ppm1 5.016 ppm2 0.541 CV 1 ASSI { 2031} (( segid "KH " and resid 152 and name HB )) (( segid "KH " and resid 153 and name HN )) 2.600 0.800 0.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.17802E-02 ppm1 1.973 ppm2 8.957 CV 1 ASSI { 2033} ( segid "KH " and resid 152 and name HG1%) ( segid "KH " and resid 152 and name HG2%) 1.800 0.400 0.400 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.28266E-01 ppm1 0.641 ppm2 0.538 CV 1 ASSI { 2035} ( segid "KH " and resid 152 and name HG1%) (( segid "KH " and resid 113 and name HN )) 3.400 1.400 1.400 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.22715E-02 ppm1 0.645 ppm2 9.235 CV 1 ASSI { 2038} ( segid "KH " and resid 152 and name HG2%) (( segid "KH " and resid 151 and name HN )) 2.300 2.300 3.700 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.21256E-02 ppm1 0.542 ppm2 8.454 CV 1 ASSI { 2039} (( segid "KH " and resid 174 and name HB3 )) (( segid "KH " and resid 175 and name HN )) 3.500 1.600 1.600 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 1.530 ppm2 7.963 CV 1 ASSI { 2042} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 154 and name HN )) 2.500 0.800 0.800 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.31401E-02 ppm1 0.460 ppm2 8.557 CV 1 ASSI { 2044} ( segid "KH " and resid 153 and name HG2%) (( segid "KH " and resid 153 and name HN )) 3.000 1.100 1.100 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.23761E-02 ppm1 0.460 ppm2 8.994 CV 1 ASSI { 2046} (( segid "KH " and resid 154 and name HB )) (( segid "KH " and resid 140 and name HB )) 2.600 2.600 3.400 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.55010E-02 ppm1 1.827 ppm2 2.078 CV 1 ASSI { 2049} (( segid "KH " and resid 154 and name HB )) (( segid "KH " and resid 139 and name HN )) 3.600 3.600 2.400 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.92246E-03 ppm1 1.826 ppm2 9.053 CV 1 ASSI { 2050} (( segid "KH " and resid 154 and name HA )) (( segid "KH " and resid 139 and name HN )) 3.700 1.700 1.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.84385E-03 ppm1 4.246 ppm2 9.076 CV 1 ASSI { 2053} ( segid "KH " and resid 154 and name HG1%) (( segid "KH " and resid 139 and name HN )) 2.600 0.800 0.800 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.46227E-02 ppm1 0.790 ppm2 9.047 CV 1 ASSI { 2055} (( segid "KH " and resid 155 and name HA )) (( segid "KH " and resid 155 and name HN )) 3.000 1.100 1.100 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.12317E-02 ppm1 5.155 ppm2 8.951 CV 1 ASSI { 2056} (( segid "KH " and resid 155 and name HG3 )) (( segid "KH " and resid 155 and name HG2 )) 2.200 0.600 0.600 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.27543E-02 ppm1 0.672 ppm2 1.068 CV 1 ASSI { 2057} (( segid "KH " and resid 155 and name HG3 )) (( segid "KH " and resid 155 and name HB3 )) 2.700 0.900 0.900 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.19206E-02 ppm1 0.672 ppm2 1.486 CV 1 OR { 2057} (( segid "KH " and resid 155 and name HG3 )) (( segid "KH " and resid 155 and name HD2 )) ASSI { 2059} (( segid "KH " and resid 156 and name HA )) (( segid "KH " and resid 157 and name HN )) 2.900 1.000 1.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.11372E-02 ppm1 5.037 ppm2 9.467 CV 1 ASSI { 2060} (( segid "KH " and resid 156 and name HA )) (( segid "KH " and resid 156 and name HN )) 3.100 1.200 1.200 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.10330E-02 ppm1 5.038 ppm2 9.548 CV 1 ASSI { 2064} (( segid "KH " and resid 156 and name HG13)) (( segid "KH " and resid 156 and name HB )) 1.800 1.800 4.200 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.25152E-01 ppm1 1.504 ppm2 1.653 CV 1 OR { 2064} (( segid "KH " and resid 156 and name HG12)) (( segid "KH " and resid 156 and name HB )) ASSI { 2065} (( segid "KH " and resid 156 and name HG12)) (( segid "KH " and resid 156 and name HA )) 3.000 1.200 1.200 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.10115E-02 ppm1 1.502 ppm2 5.022 CV 1 OR { 2065} (( segid "KH " and resid 156 and name HG13)) (( segid "KH " and resid 156 and name HA )) ASSI { 2067} ( segid "KH " and resid 156 and name HG2%) (( segid "KH " and resid 156 and name HG12)) 2.600 0.800 0.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.47446E-02 ppm1 0.802 ppm2 1.513 CV 1 OR { 2067} ( segid "KH " and resid 156 and name HG2%) (( segid "KH " and resid 156 and name HG13)) ASSI { 2068} ( segid "KH " and resid 156 and name HG2%) (( segid "KH " and resid 157 and name HN )) 3.000 1.100 1.100 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.14019E-02 ppm1 0.809 ppm2 9.469 CV 1 ASSI { 2071} ( segid "KH " and resid 157 and name HD1%) (( segid "KH " and resid 158 and name HN )) 2.400 2.400 3.600 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.13503E-02 ppm1 0.764 ppm2 8.245 CV 1 ASSI { 2072} ( segid "KH " and resid 157 and name HD1%) (( segid "KH " and resid 156 and name HN )) 3.000 1.100 1.100 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 0.764 ppm2 9.519 CV 1 ASSI { 2073} (( segid "KH " and resid 157 and name HG12)) (( segid "KH " and resid 157 and name HB )) 2.400 0.700 0.700 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.39595E-02 ppm1 1.428 ppm2 1.812 CV 1 ASSI { 2080} (( segid "KH " and resid 165 and name HA )) (( segid "KH " and resid 168 and name HN )) 3.500 1.500 1.500 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.15452E-02 ppm1 4.037 ppm2 8.222 CV 1 ASSI { 2082} (( segid "KH " and resid 167 and name HG3 )) (( segid "KH " and resid 167 and name HB3 )) 3.100 1.200 1.200 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.22391E-02 ppm1 1.821 ppm2 2.010 CV 1 ASSI { 2085} (( segid "KH " and resid 168 and name HB2 )) (( segid "KH " and resid 165 and name HA )) 3.700 1.700 1.700 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.16444E-02 ppm1 1.891 ppm2 4.064 CV 1 OR { 2085} (( segid "KH " and resid 168 and name HB3 )) (( segid "KH " and resid 165 and name HA )) ASSI { 2087} (( segid "KH " and resid 169 and name HB3 )) (( segid "KH " and resid 169 and name HE3 )) 2.800 1.000 1.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.21202E-02 ppm1 1.847 ppm2 2.934 CV 1 OR { 2087} (( segid "KH " and resid 169 and name HB2 )) (( segid "KH " and resid 169 and name HE3 )) OR { 2087} (( segid "KH " and resid 169 and name HB2 )) (( segid "KH " and resid 169 and name HE2 )) ASSI { 2093} ( segid "KH " and resid 170 and name HG2%) (( segid "KH " and resid 170 and name HB )) 2.000 0.500 0.500 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.10603E-01 ppm1 0.699 ppm2 1.795 CV 1 ASSI { 2095} ( segid "KH " and resid 156 and name HD1%) (( segid "KH " and resid 167 and name HA )) 2.300 0.700 0.700 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.48497E-02 ppm1 0.701 ppm2 3.632 CV 1 ASSI { 2096} ( segid "KH " and resid 170 and name HG2%) (( segid "KH " and resid 171 and name HN )) 2.900 1.000 1.000 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.26051E-02 ppm1 0.701 ppm2 7.949 CV 1 ASSI { 2097} ( segid "KH " and resid 170 and name HG2%) (( segid "KH " and resid 170 and name HN )) 3.300 1.400 1.400 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.25820E-02 ppm1 0.701 ppm2 8.196 CV 1 ASSI { 2098} ( segid "KH " and resid 170 and name HG2%) (( segid "KH " and resid 174 and name HN )) 3.100 1.200 1.200 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 0.701 ppm2 8.274 CV 1 ASSI { 2099} (( segid "KH " and resid 171 and name HA )) (( segid "KH " and resid 171 and name HN )) 2.600 0.900 0.900 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.26320E-02 ppm1 3.862 ppm2 7.993 CV 1 ASSI { 2101} (( segid "KH " and resid 171 and name HG2 )) (( segid "KH " and resid 171 and name HN )) 2.600 0.800 0.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.21097E-02 ppm1 1.851 ppm2 7.987 CV 1 ASSI { 2102} (( segid "KH " and resid 171 and name HG3 )) (( segid "KH " and resid 171 and name HN )) 3.500 1.500 1.500 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.19231E-02 ppm1 1.711 ppm2 7.998 CV 1 ASSI { 2103} (( segid "KH " and resid 171 and name HD2 )) (( segid "KH " and resid 171 and name HN )) 3.200 1.300 1.300 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.14591E-02 ppm1 3.144 ppm2 7.986 CV 1 OR { 2103} (( segid "KH " and resid 171 and name HD3 )) (( segid "KH " and resid 171 and name HN )) ASSI { 2104} ( segid "KH " and resid 175 and name HB% ) (( segid "KH " and resid 176 and name HN )) 2.800 0.900 0.900 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.26358E-02 ppm1 1.533 ppm2 7.704 CV 1 ASSI { 2106} (( segid "KH " and resid 172 and name HA )) (( segid "KH " and resid 175 and name HN )) 2.900 1.000 1.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.22122E-02 ppm1 4.433 ppm2 7.957 CV 1 ASSI { 2111} (( segid "KH " and resid 174 and name HA )) (( segid "KH " and resid 175 and name HN )) 2.800 1.000 1.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.25782E-02 ppm1 3.897 ppm2 7.923 CV 1 ASSI { 2113} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 111 and name HA )) 2.600 0.800 0.800 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.36142E-02 ppm1 0.720 ppm2 4.866 CV 1 ASSI { 2114} ( segid "KH " and resid 174 and name HD2%) (( segid "KH " and resid 174 and name HN )) 2.900 1.000 1.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.24564E-02 ppm1 0.721 ppm2 8.266 CV 1 ASSI { 2117} (( segid "KH " and resid 175 and name HA )) (( segid "KH " and resid 178 and name HB3 )) 2.700 0.900 0.900 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.29413E-02 ppm1 4.141 ppm2 1.844 CV 1 OR { 2117} (( segid "KH " and resid 175 and name HA )) (( segid "KH " and resid 178 and name HB2 )) ASSI { 2120} (( segid "KH " and resid 176 and name HB3 )) (( segid "KH " and resid 176 and name HG2 )) 2.400 0.700 0.700 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.55598E-02 ppm1 2.162 ppm2 2.524 CV 1 OR { 2120} (( segid "KH " and resid 176 and name HB2 )) (( segid "KH " and resid 176 and name HG2 )) ASSI { 2121} (( segid "KH " and resid 176 and name HB2 )) (( segid "KH " and resid 176 and name HG3 )) 2.000 0.500 0.500 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.14217E-01 ppm1 2.162 ppm2 2.356 CV 1 OR { 2121} (( segid "KH " and resid 176 and name HB3 )) (( segid "KH " and resid 176 and name HG3 )) ASSI { 2123} (( segid "KH " and resid 176 and name HB2 )) (( segid "KH " and resid 176 and name HN )) 2.600 0.900 0.900 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.33235E-02 ppm1 2.165 ppm2 7.693 CV 1 OR { 2123} (( segid "KH " and resid 176 and name HB3 )) (( segid "KH " and resid 176 and name HN )) ASSI { 2124} (( segid "KH " and resid 176 and name HB2 )) (( segid "KH " and resid 177 and name HN )) 2.800 1.000 1.000 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.22013E-02 ppm1 2.165 ppm2 7.848 CV 1 OR { 2124} (( segid "KH " and resid 176 and name HB3 )) (( segid "KH " and resid 177 and name HN )) ASSI { 2128} (( segid "KH " and resid 176 and name HA )) (( segid "KH " and resid 176 and name HB3 )) 2.300 0.600 0.600 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.86318E-02 ppm1 4.092 ppm2 2.174 CV 1 OR { 2128} (( segid "KH " and resid 176 and name HA )) (( segid "KH " and resid 176 and name HB2 )) ASSI { 2129} (( segid "KH " and resid 176 and name HA )) (( segid "KH " and resid 176 and name HN )) 2.600 0.900 0.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.32048E-02 ppm1 4.092 ppm2 7.697 CV 1 ASSI { 2130} (( segid "KH " and resid 176 and name HA )) (( segid "KH " and resid 179 and name HN )) 2.800 1.000 1.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.25059E-02 ppm1 4.092 ppm2 7.862 CV 1 ASSI { 2131} (( segid "KH " and resid 176 and name HA )) (( segid "KH " and resid 179 and name HB2 )) 2.600 0.800 0.800 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.37381E-02 ppm1 4.092 ppm2 2.061 CV 1 OR { 2131} (( segid "KH " and resid 176 and name HA )) (( segid "KH " and resid 179 and name HB3 )) ASSI { 2136} (( segid "KH " and resid 176 and name HG3 )) (( segid "KH " and resid 176 and name HA )) 2.700 0.900 0.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.60349E-02 ppm1 2.351 ppm2 4.092 CV 1 ASSI { 2137} (( segid "KH " and resid 176 and name HG2 )) (( segid "KH " and resid 176 and name HA )) 2.600 0.800 0.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.31973E-02 ppm1 2.523 ppm2 4.092 CV 1 ASSI { 2138} (( segid "KH " and resid 176 and name HG3 )) (( segid "KH " and resid 176 and name HE22)) 3.700 1.700 1.700 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.13255E-02 ppm1 2.349 ppm2 6.753 CV 1 ASSI { 2139} (( segid "KH " and resid 176 and name HG2 )) (( segid "KH " and resid 176 and name HE21)) 3.000 1.100 1.100 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.13045E-02 ppm1 2.521 ppm2 7.328 CV 1 ASSI { 2140} (( segid "KH " and resid 176 and name HG3 )) (( segid "KH " and resid 176 and name HE21)) 2.800 1.000 1.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.18315E-02 ppm1 2.349 ppm2 7.331 CV 1 ASSI { 2141} (( segid "KH " and resid 176 and name HG3 )) (( segid "KH " and resid 176 and name HN )) 2.400 0.700 0.700 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.33816E-02 ppm1 2.349 ppm2 7.687 CV 1 ASSI { 2142} (( segid "KH " and resid 176 and name HG2 )) (( segid "KH " and resid 176 and name HN )) 3.200 1.200 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.30140E-02 ppm1 2.521 ppm2 7.699 CV 1 ASSI { 2149} (( segid "KH " and resid 22 and name HG3 )) (( segid "KH " and resid 23 and name HN )) 3.400 1.500 1.500 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.22958E-02 ppm1 2.128 ppm2 7.926 CV 1 ASSI { 2150} (( segid "KH " and resid 22 and name HG2 )) (( segid "KH " and resid 23 and name HN )) 3.400 1.500 1.500 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 2.240 ppm2 7.922 CV 1 ASSI { 2151} (( segid "KH " and resid 22 and name HG2 )) (( segid "KH " and resid 22 and name HN )) 3.200 1.300 1.300 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 2.240 ppm2 8.152 CV 1 ASSI { 2152} (( segid "KH " and resid 22 and name HG3 )) (( segid "KH " and resid 22 and name HN )) 2.900 1.100 1.100 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 2.128 ppm2 8.152 CV 1 ASSI { 2154} (( segid "KH " and resid 22 and name HG3 )) ( segid "KH " and resid 74 and name HG2%) 3.300 1.300 1.300 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.19474E-02 ppm1 2.125 ppm2 1.093 CV 1 ASSI { 2155} ( segid "KH " and resid 74 and name HG2%) (( segid "KH " and resid 22 and name HG2 )) 3.000 1.100 1.100 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.26547E-02 ppm1 1.095 ppm2 2.246 CV 1 ASSI { 2157} ( segid "KH " and resid 107 and name HG2%) (( segid "KH " and resid 167 and name HG3 )) 2.600 0.800 0.800 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.51732E-02 ppm1 1.095 ppm2 1.850 CV 1 ASSI { 2159} (( segid "KH " and resid 144 and name HG3 )) (( segid "KH " and resid 141 and name HB3 )) 3.900 1.900 1.900 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.10506E-02 ppm1 2.100 ppm2 1.715 CV 1 OR { 2159} (( segid "KH " and resid 144 and name HG2 )) (( segid "KH " and resid 141 and name HB3 )) ASSI { 2163} (( segid "KH " and resid 141 and name HG3 )) (( segid "KH " and resid 141 and name HD2 )) 2.200 0.600 0.600 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.62197E-02 ppm1 1.915 ppm2 3.677 CV 1 OR { 2163} (( segid "KH " and resid 141 and name HG2 )) (( segid "KH " and resid 141 and name HD3 )) OR { 2163} (( segid "KH " and resid 141 and name HG2 )) (( segid "KH " and resid 141 and name HD2 )) OR { 2163} (( segid "KH " and resid 141 and name HG3 )) (( segid "KH " and resid 141 and name HD3 )) ASSI { 2165} ( segid "KH " and resid 29 and name HG2%) (( segid "KH " and resid 30 and name HD2 )) 3.400 1.500 1.500 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 0.592 ppm2 3.708 CV 1 ASSI { 2167} ( segid "KH " and resid 116 and name HB% ) ( segid "KH " and resid 140 and name HG1%) 2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.61357E-02 ppm1 1.207 ppm2 0.762 CV 1 ASSI { 2174} ( segid "KH " and resid 174 and name HD2%) ( segid "KH " and resid 119 and name HG2%) 1.200 1.200 4.800 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.92791E-01 ppm1 0.723 ppm2 0.694 CV 1 ASSI { 2176} ( segid "KH " and resid 154 and name HG2%) (( segid "KH " and resid 154 and name HN )) 3.100 1.200 1.200 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.18285E-02 ppm1 0.657 ppm2 8.560 CV 1 ASSI { 2177} (( segid "KH " and resid 177 and name HA )) (( segid "KH " and resid 177 and name HN )) 2.500 0.800 0.800 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.38839E-02 ppm1 3.823 ppm2 7.851 CV 1 ASSI { 2184} ( segid "KH " and resid 177 and name HG1%) (( segid "KH " and resid 177 and name HN )) 2.800 1.000 1.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.95355E-02 ppm1 0.975 ppm2 7.850 CV 1 ASSI { 2186} ( segid "KH " and resid 177 and name HG2%) (( segid "KH " and resid 177 and name HB )) 1.900 0.500 0.500 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.17091E-01 ppm1 0.877 ppm2 2.167 CV 1 ASSI { 2187} ( segid "KH " and resid 177 and name HG2%) ( segid "KH " and resid 115 and name HB% ) 2.100 0.500 0.500 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.13112E-01 ppm1 0.879 ppm2 1.320 CV 1 ASSI { 2188} ( segid "KH " and resid 177 and name HG2%) (( segid "KH " and resid 177 and name HA )) 2.200 0.600 0.600 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.10649E-01 ppm1 0.879 ppm2 3.825 CV 1 ASSI { 2190} ( segid "KH " and resid 177 and name HG2%) (( segid "KH " and resid 118 and name HG2 )) 2.300 2.300 3.700 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.91615E-02 ppm1 0.875 ppm2 1.659 CV 1 OR { 2190} ( segid "KH " and resid 177 and name HG2%) (( segid "KH " and resid 118 and name HG3 )) ASSI { 2191} ( segid "KH " and resid 174 and name HD2%) ( segid "KH " and resid 115 and name HB% ) 2.200 0.600 0.600 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.11721E-01 ppm1 0.723 ppm2 1.333 CV 1 ASSI { 2198} ( segid "KH " and resid 138 and name HG2%) (( segid "KH " and resid 130 and name HB3 )) 2.700 0.900 0.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.22231E-02 ppm1 0.594 ppm2 1.429 CV 1 ASSI { 2209} (( segid "KH " and resid 87 and name HB )) (( segid "KH " and resid 87 and name HA )) 3.100 1.200 1.200 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 1.970 ppm2 3.496 CV 1 ASSI { 2214} ( segid "KH " and resid 105 and name HD2%) ( segid "KH " and resid 29 and name HG2%) 2.400 0.700 0.700 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.45933E-02 ppm1 -0.207 ppm2 0.600 CV 1 ASSI { 2216} ( segid "KH " and resid 27 and name HG2%) ( segid "KH " and resid 107 and name HG2%) 2.300 0.700 0.700 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.82663E-02 ppm1 0.713 ppm2 1.072 CV 1 ASSI { 2217} ( segid "KH " and resid 27 and name HG1%) ( segid "KH " and resid 107 and name HG2%) 2.100 0.500 0.500 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.17978E-01 ppm1 0.876 ppm2 1.071 CV 1 ASSI { 2218} ( segid "KH " and resid 73 and name HD1%) (( segid "KH " and resid 74 and name HA )) 3.300 1.300 1.300 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 0.576 ppm2 5.642 CV 1 ASSI { 2219} ( segid "KH " and resid 73 and name HD1%) (( segid "KH " and resid 74 and name HN )) 2.900 1.100 1.100 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.26816E-02 ppm1 0.578 ppm2 9.226 CV 1 ASSI { 2220} ( segid "KH " and resid 73 and name HD1%) (( segid "KH " and resid 73 and name HN )) 2.900 1.000 1.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.22500E-02 ppm1 0.578 ppm2 8.985 CV 1 ASSI { 2222} ( segid "KH " and resid 73 and name HD1%) (( segid "KH " and resid 73 and name HG12)) 2.300 0.700 0.700 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.70348E-02 ppm1 0.567 ppm2 1.572 CV 1 OR { 2222} ( segid "KH " and resid 73 and name HD1%) (( segid "KH " and resid 73 and name HG13)) ASSI { 2223} ( segid "KH " and resid 73 and name HD1%) ( segid "KH " and resid 27 and name HG2%) 1.600 1.600 4.400 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.16747E-01 ppm1 0.567 ppm2 0.710 CV 1 ASSI { 2225} ( segid "KH " and resid 27 and name HG2%) ( segid "KH " and resid 27 and name HG1%) 1.600 0.300 0.600 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.63878E-01 ppm1 0.712 ppm2 0.883 CV 1 ASSI { 2227} ( segid "KH " and resid 162 and name HB% ) ( segid "KH " and resid 135 and name HB% ) 2.800 1.000 1.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.21525E-02 ppm1 0.978 ppm2 1.545 CV 1 ASSI { 2230} ( segid "KH " and resid 165 and name HE% ) (( segid "KH " and resid 165 and name HG2 )) 3.000 1.100 1.100 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.22580E-02 ppm1 1.980 ppm2 2.571 CV 1 ASSI { 2231} ( segid "KH " and resid 165 and name HE% ) (( segid "KH " and resid 165 and name HA )) 3.100 1.200 1.200 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.31439E-02 ppm1 1.978 ppm2 4.049 CV 1 ASSI { 2234} ( segid "KH " and resid 165 and name HE% ) (( segid "KH " and resid 168 and name HG3 )) 2.200 2.200 3.800 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.22177E-02 ppm1 1.979 ppm2 1.676 CV 1 OR { 2234} ( segid "KH " and resid 165 and name HE% ) (( segid "KH " and resid 168 and name HG2 )) ASSI { 2235} (( segid "KH " and resid 165 and name HA )) (( segid "KH " and resid 165 and name HG2 )) 2.700 0.900 0.900 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.19827E-02 ppm1 4.044 ppm2 2.555 CV 1 ASSI { 2239} (( segid "KH " and resid 144 and name HB3 )) (( segid "KH " and resid 145 and name HN )) 3.200 1.200 1.200 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.20744E-02 ppm1 1.873 ppm2 8.693 CV 1 OR { 2239} (( segid "KH " and resid 144 and name HB2 )) (( segid "KH " and resid 145 and name HN )) ASSI { 2240} (( segid "KH " and resid 144 and name HG3 )) (( segid "KH " and resid 144 and name HB3 )) 2.400 0.700 0.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.59593E-02 ppm1 2.100 ppm2 1.897 CV 1 OR { 2240} (( segid "KH " and resid 144 and name HG3 )) (( segid "KH " and resid 144 and name HB2 )) OR { 2240} (( segid "KH " and resid 144 and name HG2 )) (( segid "KH " and resid 144 and name HB3 )) OR { 2240} (( segid "KH " and resid 144 and name HG2 )) (( segid "KH " and resid 144 and name HB2 )) ASSI { 2242} (( segid "KH " and resid 143 and name HA )) (( segid "KH " and resid 144 and name HN )) 2.800 1.000 1.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.23723E-02 ppm1 4.409 ppm2 7.899 CV 1 ASSI { 2243} (( segid "KH " and resid 143 and name HA )) (( segid "KH " and resid 143 and name HN )) 2.900 1.100 1.100 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.19529E-02 ppm1 4.409 ppm2 8.691 CV 1 ASSI { 2245} (( segid "KH " and resid 144 and name HA )) (( segid "KH " and resid 143 and name HB3 )) 2.900 2.900 3.100 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.16882E-02 ppm1 4.364 ppm2 2.621 CV 1 ASSI { 2248} (( segid "KH " and resid 163 and name HA )) (( segid "KH " and resid 166 and name HN )) 3.300 1.300 1.300 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.88588E-03 ppm1 3.829 ppm2 8.204 CV 1 ASSI { 2253} ( segid "KH " and resid 166 and name HB% ) (( segid "KH " and resid 166 and name HA )) 2.300 0.600 0.600 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.50893E-02 ppm1 1.309 ppm2 3.918 CV 1 ASSI { 2254} ( segid "KH " and resid 166 and name HB% ) (( segid "KH " and resid 163 and name HA )) 2.600 0.800 0.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.32620E-02 ppm1 1.309 ppm2 3.839 CV 1 ASSI { 2255} ( segid "KH " and resid 166 and name HB% ) (( segid "KH " and resid 166 and name HN )) 2.500 0.800 0.800 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.34844E-02 ppm1 1.309 ppm2 8.213 CV 1 ASSI { 2256} ( segid "KH " and resid 166 and name HB% ) (( segid "KH " and resid 167 and name HN )) 2.800 0.900 0.900 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 1.309 ppm2 8.393 CV 1 ASSI { 2261} (( segid "KH " and resid 88 and name HB2 )) (( segid "KH " and resid 89 and name HN )) 2.700 0.900 0.900 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.25442E-02 ppm1 2.839 ppm2 8.004 CV 1 ASSI { 2264} (( segid "KH " and resid 88 and name HA )) (( segid "KH " and resid 91 and name HN )) 3.300 1.400 1.400 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 3.791 ppm2 7.545 CV 1 ASSI { 2267} (( segid "KH " and resid 82 and name HA )) (( segid "KH " and resid 82 and name HB2 )) 2.700 0.900 0.900 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.23874E-02 ppm1 3.998 ppm2 1.819 CV 1 ASSI { 2268} (( segid "KH " and resid 82 and name HA )) (( segid "KH " and resid 82 and name HB3 )) 3.200 1.300 1.300 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 3.998 ppm2 1.608 CV 1 ASSI { 2270} (( segid "KH " and resid 82 and name HA )) (( segid "KH " and resid 82 and name HD2 )) 3.500 1.500 1.500 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.15356E-02 ppm1 3.998 ppm2 1.366 CV 1 ASSI { 2271} (( segid "KH " and resid 82 and name HA )) (( segid "KH " and resid 82 and name HD3 )) 3.100 1.200 1.200 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.15415E-02 ppm1 3.998 ppm2 1.179 CV 1 ASSI { 2274} (( segid "KH " and resid 82 and name HD3 )) (( segid "KH " and resid 82 and name HD2 )) 2.000 0.500 0.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.48286E-02 ppm1 1.184 ppm2 1.365 CV 1 ASSI { 2276} (( segid "KH " and resid 82 and name HE2 )) (( segid "KH " and resid 82 and name HG3 )) 3.200 1.300 1.300 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 2.688 ppm2 1.472 CV 1 OR { 2276} (( segid "KH " and resid 82 and name HE3 )) (( segid "KH " and resid 82 and name HG3 )) ASSI { 2282} (( segid "KH " and resid 78 and name HB2 )) (( segid "KH " and resid 78 and name HN )) 3.200 1.200 1.200 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.80393E-03 ppm1 2.008 ppm2 9.555 CV 1 ASSI { 2286} (( segid "KH " and resid 78 and name HA )) (( segid "KH " and resid 81 and name HN )) 3.300 1.400 1.400 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.94555E-03 ppm1 4.114 ppm2 8.005 CV 1 ASSI { 2290} (( segid "KH " and resid 56 and name HA )) ( segid "KH " and resid 56 and name HD1%) 2.700 0.900 0.900 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.32048E-02 ppm1 4.991 ppm2 0.668 CV 1 ASSI { 2293} (( segid "KH " and resid 56 and name HA )) (( segid "KH " and resid 74 and name HN )) 3.000 1.100 1.100 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.24181E-02 ppm1 4.987 ppm2 9.233 CV 1 ASSI { 2294} ( segid "KH " and resid 139 and name HG1%) (( segid "KH " and resid 138 and name HN )) 3.100 3.100 2.900 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.19042E-02 ppm1 0.791 ppm2 8.284 CV 1 ASSI { 2299} ( segid "KH " and resid 25 and name HG1%) (( segid "KH " and resid 26 and name HD2 )) 3.200 1.300 1.300 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 0.831 ppm2 6.726 CV 1 ASSI { 2301} ( segid "KH " and resid 73 and name HG2%) (( segid "KH " and resid 73 and name HN )) 2.800 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.23337E-02 ppm1 0.677 ppm2 8.978 CV 1 ASSI { 2302} ( segid "KH " and resid 73 and name HG2%) (( segid "KH " and resid 74 and name HN )) 3.600 1.600 1.600 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.12759E-02 ppm1 0.677 ppm2 9.221 CV 1 ASSI { 2303} ( segid "KH " and resid 156 and name HD1%) (( segid "KH " and resid 163 and name HA )) 3.200 1.300 1.300 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.25400E-02 ppm1 0.679 ppm2 3.801 CV 1 ASSI { 2307} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 71 and name HB )) 3.300 1.300 1.300 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 0.340 ppm2 2.020 CV 1 ASSI { 2308} ( segid "KH " and resid 58 and name HD1%) (( segid "KH " and resid 37 and name HG13)) 2.200 2.200 3.800 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.25707E-02 ppm1 0.343 ppm2 0.945 CV 1 ASSI { 2315} ( segid "KH " and resid 58 and name HD1%) ( segid "KH " and resid 38 and name HD1%) 2.600 0.900 0.900 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.52406E-02 ppm1 0.342 ppm2 -0.261 CV 1 ASSI { 2321} (( segid "KH " and resid 155 and name HD2 )) (( segid "KH " and resid 155 and name HG3 )) 2.600 0.800 0.800 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.19042E-02 ppm1 1.472 ppm2 0.669 CV 1 ASSI { 2322} (( segid "KH " and resid 155 and name HD3 )) (( segid "KH " and resid 155 and name HD2 )) 1.900 0.400 0.400 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.66482E-02 ppm1 1.422 ppm2 1.472 CV 1 ASSI { 4} ( segid "KH " and resid 161 and name HD% ) (( segid "KH " and resid 161 and name HB2 )) 2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.18832E-02 ppm1 7.175 ppm2 2.928 CV 1 ASSI { 5} ( segid "KH " and resid 161 and name HD% ) (( segid "KH " and resid 161 and name HB3 )) 3.200 1.300 1.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.13010E-02 ppm1 7.175 ppm2 2.718 CV 1 ASSI { 8} ( segid "KH " and resid 28 and name HD% ) ( segid "KH " and resid 28 and name HE% ) 2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.86942E-02 ppm1 6.793 ppm2 6.320 CV 1 ASSI { 9} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 28 and name HA )) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.13838E-02 ppm1 6.793 ppm2 4.928 CV 1 ASSI { 12} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 28 and name HB2 )) 3.100 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18114E-02 ppm1 6.787 ppm2 3.005 CV 1 ASSI { 13} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 28 and name HB3 )) 2.800 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 6.787 ppm2 2.487 CV 1 ASSI { 14} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 106 and name HG3 )) 3.100 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 6.787 ppm2 2.053 CV 1 OR { 14} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 106 and name HG2 )) ASSI { 15} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 70 and name HB3 )) 3.300 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.13171E-02 ppm1 6.787 ppm2 1.423 CV 1 ASSI { 16} ( segid "KH " and resid 28 and name HD% ) ( segid "KH " and resid 68 and name HG1%) 2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.44324E-02 ppm1 6.787 ppm2 0.808 CV 1 ASSI { 17} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 106 and name HB2 )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 6.787 ppm2 1.972 CV 1 OR { 17} ( segid "KH " and resid 28 and name HD% ) (( segid "KH " and resid 106 and name HB3 )) ASSI { 20} ( segid "KH " and resid 88 and name HD% ) (( segid "KH " and resid 88 and name HA )) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 7.394 ppm2 3.815 CV 1 ASSI { 22} ( segid "KH " and resid 88 and name HD% ) (( segid "KH " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.23916E-02 ppm1 7.394 ppm2 2.857 CV 1 ASSI { 23} ( segid "KH " and resid 88 and name HD% ) (( segid "KH " and resid 88 and name HB3 )) 2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16719E-02 ppm1 7.394 ppm2 2.686 CV 1 ASSI { 24} ( segid "KH " and resid 88 and name HD% ) (( segid "KH " and resid 84 and name HB2 )) 2.500 2.500 3.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13050E-02 ppm1 7.394 ppm2 2.344 CV 1 ASSI { 25} ( segid "KH " and resid 88 and name HD% ) (( segid "KH " and resid 103 and name HB )) 3.200 1.300 1.300 peak 25 spectrum 1 weight 0.10000E+01 volume 0.24654E-02 ppm1 7.394 ppm2 2.078 CV 1 ASSI { 26} ( segid "KH " and resid 88 and name HD% ) ( segid "KH " and resid 105 and name HD1%) 3.000 3.000 3.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.14122E-02 ppm1 7.398 ppm2 0.921 CV 1 ASSI { 28} ( segid "KH " and resid 88 and name HD% ) ( segid "KH " and resid 105 and name HD2%) 3.600 1.600 1.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.10715E-02 ppm1 7.398 ppm2 -0.205 CV 1 ASSI { 30} ( segid "KH " and resid 96 and name HD% ) (( segid "KH " and resid 91 and name HA )) 2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.46055E-02 ppm1 7.097 ppm2 4.090 CV 1 ASSI { 31} ( segid "KH " and resid 96 and name HD% ) (( segid "KH " and resid 96 and name HB3 )) 2.600 0.800 0.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.34470E-02 ppm1 7.098 ppm2 2.820 CV 1 OR { 31} ( segid "KH " and resid 96 and name HD% ) (( segid "KH " and resid 96 and name HB2 )) ASSI { 32} ( segid "KH " and resid 96 and name HD% ) ( segid "KH " and resid 91 and name HD2%) 2.200 2.200 3.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.29880E-02 ppm1 7.097 ppm2 0.536 CV 1 ASSI { 33} ( segid "KH " and resid 96 and name HD% ) (( segid "KH " and resid 94 and name HB3 )) 3.200 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.27970E-02 ppm1 7.097 ppm2 1.756 CV 1 ASSI { 35} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 97 and name HA )) 3.000 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.36694E-02 ppm1 7.290 ppm2 4.544 CV 1 ASSI { 36} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.55221E-02 ppm1 7.290 ppm2 3.195 CV 1 ASSI { 37} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 96 and name HB3 )) 2.500 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.42890E-02 ppm1 7.290 ppm2 2.811 CV 1 OR { 37} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 96 and name HB2 )) ASSI { 38} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 97 and name HB3 )) 2.300 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.54897E-02 ppm1 7.290 ppm2 2.715 CV 1 ASSI { 39} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 91 and name HB2 )) 3.200 1.300 1.300 peak 39 spectrum 1 weight 0.10000E+01 volume 0.37147E-02 ppm1 7.290 ppm2 2.084 CV 1 ASSI { 40} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 91 and name HB3 )) 2.400 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.30851E-02 ppm1 7.290 ppm2 1.499 CV 1 ASSI { 41} ( segid "KH " and resid 97 and name HD% ) ( segid "KH " and resid 91 and name HD1%) 3.100 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.23108E-02 ppm1 7.290 ppm2 0.765 CV 1 ASSI { 42} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 91 and name HG )) 3.100 1.200 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.28981E-02 ppm1 7.290 ppm2 1.966 CV 1 ASSI { 45} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 101 and name HG2 )) 3.100 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15486E-02 ppm1 7.290 ppm2 2.258 CV 1 OR { 45} ( segid "KH " and resid 97 and name HD% ) (( segid "KH " and resid 101 and name HG3 )) ASSI { 47} (( segid "KH " and resid 108 and name HD2 )) (( segid "KH " and resid 108 and name HA )) 3.000 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 6.914 ppm2 6.122 CV 1 ASSI { 48} (( segid "KH " and resid 108 and name HD2 )) (( segid "KH " and resid 155 and name HA )) 2.900 1.100 1.100 peak 48 spectrum 1 weight 0.10000E+01 volume 0.18569E-02 ppm1 6.914 ppm2 5.131 CV 1 ASSI { 49} (( segid "KH " and resid 108 and name HD2 )) (( segid "KH " and resid 106 and name HG3 )) 3.300 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 6.920 ppm2 2.011 CV 1 OR { 49} (( segid "KH " and resid 108 and name HD2 )) (( segid "KH " and resid 106 and name HG2 )) ASSI { 50} (( segid "KH " and resid 108 and name HD2 )) (( segid "KH " and resid 155 and name HB3 )) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12251E-02 ppm1 6.920 ppm2 1.512 CV 1 ASSI { 51} (( segid "KH " and resid 108 and name HD2 )) (( segid "KH " and resid 155 and name HG3 )) 3.200 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 6.917 ppm2 0.634 CV 1 ASSI { 53} (( segid "KH " and resid 159 and name HD2 )) (( segid "KH " and resid 159 and name HB2 )) 3.300 1.400 1.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11241E-02 ppm1 7.157 ppm2 3.521 CV 1 ASSI { 54} (( segid "KH " and resid 159 and name HD2 )) (( segid "KH " and resid 159 and name HB3 )) 3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.12585E-02 ppm1 7.157 ppm2 3.122 CV 1 ASSI { 56} ( segid "KH " and resid 17 and name HD% ) (( segid "KH " and resid 17 and name HA )) 3.200 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.15385E-02 ppm1 7.182 ppm2 4.527 CV 1 ASSI { 57} ( segid "KH " and resid 17 and name HD% ) (( segid "KH " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.34672E-02 ppm1 7.182 ppm2 3.012 CV 1 OR { 57} ( segid "KH " and resid 17 and name HD% ) (( segid "KH " and resid 17 and name HB3 )) ASSI { 59} (( segid "KH " and resid 26 and name HD2 )) ( segid "KH " and resid 72 and name HG1%) 3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.15264E-02 ppm1 6.688 ppm2 0.819 CV 1 ASSI { 61} ( segid "KH " and resid 51 and name HD% ) (( segid "KH " and resid 51 and name HA )) 3.100 1.200 1.200 peak 61 spectrum 1 weight 0.10000E+01 volume 0.29223E-02 ppm1 7.129 ppm2 4.330 CV 1 ASSI { 62} ( segid "KH " and resid 51 and name HD% ) (( segid "KH " and resid 51 and name HB2 )) 2.800 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.25493E-02 ppm1 7.129 ppm2 3.315 CV 1 ASSI { 63} ( segid "KH " and resid 51 and name HD% ) (( segid "KH " and resid 51 and name HB3 )) 2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.27646E-02 ppm1 7.129 ppm2 3.067 CV 1 ASSI { 64} ( segid "KH " and resid 51 and name HD% ) ( segid "KH " and resid 48 and name HD1%) 3.300 1.400 1.400 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 7.132 ppm2 0.912 CV 1 ASSI { 66} ( segid "KH " and resid 97 and name HE% ) (( segid "KH " and resid 103 and name HA )) 3.200 1.300 1.300 peak 66 spectrum 1 weight 0.10000E+01 volume 0.16537E-02 ppm1 7.364 ppm2 2.823 CV 1 ASSI { 67} ( segid "KH " and resid 97 and name HE% ) (( segid "KH " and resid 91 and name HB2 )) 3.200 1.300 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.19893E-02 ppm1 7.363 ppm2 2.091 CV 1 ASSI { 68} ( segid "KH " and resid 97 and name HE% ) (( segid "KH " and resid 91 and name HB3 )) 2.600 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.18802E-02 ppm1 7.363 ppm2 1.510 CV 1 ASSI { 70} ( segid "KH " and resid 97 and name HE% ) ( segid "KH " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.32680E-02 ppm1 7.363 ppm2 0.588 CV 1 ASSI { 71} ( segid "KH " and resid 97 and name HE% ) ( segid "KH " and resid 91 and name HD1%) 3.500 1.500 1.500 peak 71 spectrum 1 weight 0.10000E+01 volume 0.19954E-02 ppm1 7.363 ppm2 0.765 CV 1 ASSI { 73} ( segid "KH " and resid 88 and name HE% ) ( segid "KH " and resid 88 and name HD% ) 2.200 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.82343E-02 ppm1 7.091 ppm2 7.384 CV 1 ASSI { 74} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 159 and name HA )) 2.700 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30244E-02 ppm1 7.091 ppm2 5.631 CV 1 ASSI { 75} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 104 and name HA )) 3.200 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.29557E-02 ppm1 7.091 ppm2 4.587 CV 1 ASSI { 76} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 88 and name HA )) 3.400 1.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.19004E-02 ppm1 7.089 ppm2 3.797 CV 1 ASSI { 78} ( segid "KH " and resid 88 and name HE% ) ( segid "KH " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.28819E-02 ppm1 7.091 ppm2 0.596 CV 1 ASSI { 79} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 105 and name HG )) 3.700 1.700 1.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19610E-02 ppm1 7.091 ppm2 0.749 CV 1 ASSI { 80} ( segid "KH " and resid 88 and name HE% ) ( segid "KH " and resid 105 and name HD1%) 2.800 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.28132E-02 ppm1 7.091 ppm2 0.930 CV 1 ASSI { 81} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 105 and name HB2 )) 2.800 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.18054E-02 ppm1 7.091 ppm2 1.529 CV 1 ASSI { 82} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 103 and name HB )) 3.400 3.400 2.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.17599E-02 ppm1 7.091 ppm2 2.085 CV 1 ASSI { 83} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 160 and name HA )) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13717E-02 ppm1 7.091 ppm2 3.157 CV 1 ASSI { 84} ( segid "KH " and resid 88 and name HE% ) (( segid "KH " and resid 88 and name HB2 )) 3.900 1.900 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11281E-02 ppm1 7.091 ppm2 2.823 CV 1 ASSI { 86} ( segid "KH " and resid 161 and name HE% ) ( segid "KH " and resid 160 and name HE% ) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.79927E-02 ppm1 6.886 ppm2 7.061 CV 1 !################13Cnoesyhsqc-filtered################################# ASSI { 7} (( segid "KH " and resid 38 and name HG2% )) (( segid "RN " and resid 5 and name H1' )) 4.000 2.200 2.000 peak 7 spectrum 1 ASSI { 8} (( segid "KH " and resid 45 and name HG2% )) (( segid "RN " and resid 5 and name H1' )) 4.000 2.200 2.000 peak 8 spectrum 1 ASSI { 9} (( segid "KH " and resid 46 and name HD% )) (( segid "RN " and resid 5 and name H1' )) 3.500 1.700 1.500 peak 9 spectrum 1 ASSI { 10} (( segid "KH " and resid 46 and name HE% )) (( segid "RN " and resid 5 and name H1' )) 4.000 2.200 2.000 peak 10 spectrum 1 ASSI { 12} (( segid "KH " and resid 45 and name HD1% )) (( segid "RN " and resid 5 and name H2 )) 3.500 1.700 1.500 peak 12 spectrum 1 ASSI { 13} (( segid "KH " and resid 57 and name HA )) (( segid "RN " and resid 5 and name H2 )) 2.800 1.000 0.700 peak 13 spectrum 1 ASSI { 14} (( segid "KH " and resid 56 and name HG2% )) (( segid "RN " and resid 6 and name H4' )) 4.000 2.200 2.000 peak 14 spectrum 1 ASSI { 17} (( segid "KH " and resid 45 and name HD1% )) (( segid "RN " and resid 5 and name H1' )) 3.500 1.700 1.500 peak 17 spectrum 1 ASSI { 21} (( segid "KH " and resid 57 and name HG% )) (( segid "RN " and resid 5 and name H2 )) 3.500 1.700 1.500 peak 21 spectrum 1 ASSI { 24} (( segid "KH " and resid 57 and name HB3 )) (( segid "RN " and resid 5 and name H2 )) 4.000 2.200 2.000 peak 24 spectrum 1 ASSI { 129} (( segid "KH " and resid 35 and name HA3 )) (( segid "RN " and resid 3 and name H8 )) 3.200 0.700 0.700 peak 129 spectrum 1 ASSI { 29} (( segid "KH " and resid 35 and name HA2 )) (( segid "RN " and resid 3 and name H8 )) 3.200 0.700 0.700 peak 29 spectrum 1 ! ASSI { 19} ! (( segid "KH " and resid 40 and name HG2 )) ! (( segid "RN " and resid 3 and name H1' )) ! 3.500 1.700 1.500 peak 19 spectrum 1 ! ASSI { 20} ! (( segid "KH " and resid 40 and name HG3 )) ! (( segid "RN " and resid 3 and name H1' )) ! 3.500 1.700 1.500 peak 20 spectrum 1 !ASSI { 113} ! (( segid "KH " and resid 40 and name HA )) ! (( segid "RN " and resid 3 and name H1' )) ! 3.500 1.700 1.500 peak 113 spectrum 1 ASSI { 114} (( segid "KH " and resid 42 and name HA1 )) (( segid "RN " and resid 5 and name H1' )) 2.500 0.500 0.500 peak 114 spectrum 1 ASSI { 115} (( segid "KH " and resid 42 and name HA2 )) (( segid "RN " and resid 5 and name H1' )) 2.000 0.500 0.500 peak 115 spectrum 1 ASSI { 300} (( segid "KH " and resid 35 and name HA3 )) (( segid "RN " and resid 4 and name H5 )) 3.000 0.500 0.500 peak 300 spectrum 1 OR { 300} (( segid "KH " and resid 35 and name HA2 )) (( segid "RN " and resid 4 and name H5 )) ASSI { 130} (( segid "KH " and resid 38 and name HD1% )) (( segid "RN " and resid 4 and name H4' )) 4.500 0.500 0.500 peak 130 spectrum 1 ASSI { 132} (( segid "KH " and resid 36 and name HB% )) (( segid "RN " and resid 2 and name H3' )) 3.500 0.700 0.700 peak 132 spectrum 1 ASSI { 136} (( segid "KH " and resid 36 and name HB% )) (( segid "RN " and resid 3 and name H2' )) 5.500 0.700 0.700 peak 136 spectrum 1 ASSI { 301} (( segid "KH " and resid 38 and name HD1% )) (( segid "RN " and resid 4 and name H2' )) 4.000 0.700 0.700 peak 301 spectrum 1 ASSI { 302} (( segid "KH " and resid 36 and name HB% )) (( segid "RN " and resid 2 and name H1' )) 3.000 1.000 1.000 peak 302 spectrum 1 ASSI { 303} (( segid "KH " and resid 36 and name HA )) (( segid "RN " and resid 2 and name H2' )) 3.500 0.700 0.700 peak 303 spectrum 1 ASSI { 304} (( segid "KH " and resid 35 and name HA3 )) (( segid "RN " and resid 3 and name H2' )) 4.500 0.500 0.500 peak 304 spectrum 1 ASSI { 305} (( segid "KH " and resid 35 and name HA2 )) (( segid "RN " and resid 3 and name H2' )) 4.500 0.500 0.500 peak 305 spectrum 1 ASSI { 306} (( segid "KH " and resid 36 and name HB% )) (( segid "RN " and resid 3 and name H2' )) 4.500 0.700 0.700 peak 306 spectrum 1 ASSI { 307} (( segid "KH " and resid 36 and name HA )) (( segid "RN " and resid 3 and name H3' )) 4.500 0.700 0.700 peak 303 spectrum 1 ! ASSI { 308} ! (( segid "KH " and resid 36 and name HA )) ! (( segid "RN " and resid 2 and name H2' )) ! 3.500 0.700 0.700 peak 308 spectrum 1 ASSI { 309} (( segid "KH " and resid 36 and name HB% )) (( segid "RN " and resid 2 and name H4' )) 3.000 0.700 0.700 peak 309 spectrum 1 ASSI { 310} (( segid "KH " and resid 35 and name HN )) (( segid "RN " and resid 3 and name H1' )) 5.500 0.500 0.500 peak 310 spectrum 1 ! ! ! ! ! ! ! ! ! ! !################Inter/Intra-nucleotide_NOEs################################# ASSI { 139} (( segid "RN " and resid 4 and name H1' )) (( segid "RN " and resid 4 and name H6 )) 3.500 0.500 0.500 peak 139 spectrum 1 ASSI { 140} (( segid "RN " and resid 3 and name H1' )) (( segid "RN " and resid 3 and name H2' )) 2.500 0.500 0.500 peak 140 spectrum 1 ASSI { 141} (( segid "RN " and resid 6 and name H1' )) (( segid "RN " and resid 6 and name H2' )) 2.500 0.500 0.500 peak 141 spectrum 1 ASSI { 142} (( segid "RN " and resid 2 and name H1' )) (( segid "RN " and resid 2 and name H2' )) 2.300 0.500 0.500 peak 142 spectrum 1 ASSI { 143} (( segid "RN " and resid 2 and name H3' )) (( segid "RN " and resid 2 and name H6 )) 2.800 0.500 0.500 peak 143 spectrum 1 ASSI { 144} (( segid "RN " and resid 2 and name H2' )) (( segid "RN " and resid 2 and name H6 )) 3.800 0.500 0.500 peak 144 spectrum 1 ASSI { 145} (( segid "RN " and resid 6 and name H1' )) (( segid "RN " and resid 6 and name H6 )) 3.500 0.500 0.500 peak 145 spectrum 1 ASSI { 146} (( segid "RN " and resid 6 and name H5 )) (( segid "RN " and resid 6 and name H6 )) 2.000 0.500 0.500 peak 146 spectrum 1 ASSI { 147} (( segid "RN " and resid 6 and name H3' )) (( segid "RN " and resid 6 and name H6 )) 3.000 0.500 0.500 peak 147 spectrum 1 ASSI { 148} (( segid "RN " and resid 6 and name H2' )) (( segid "RN " and resid 6 and name H6 )) 3.500 0.500 0.500 peak 148 spectrum 1 ASSI { 149} (( segid "RN " and resid 6 and name H3' )) (( segid "RN " and resid 6 and name H2' )) 2.000 0.500 0.500 peak 149 spectrum 1 ASSI { 150} (( segid "RN " and resid 2 and name H1' )) (( segid "RN " and resid 2 and name H6 )) 3.800 0.500 0.500 peak 150 spectrum 1 ASSI { 151} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H2' )) 2.500 0.500 0.500 peak 151 spectrum 1 ASSI { 152} (( segid "RN " and resid 3 and name H1' )) (( segid "RN " and resid 3 and name H8 )) 3.500 0.500 0.500 peak 152 spectrum 1 ASSI { 153} (( segid "RN " and resid 3 and name H2' )) (( segid "RN " and resid 4 and name H6 )) 4.500 0.500 0.500 peak 153 spectrum 1 ASSI { 155} (( segid "RN " and resid 5 and name H2' )) (( segid "RN " and resid 5 and name H8 )) 3.800 0.500 0.500 peak 155 spectrum 1 ASSI { 156} (( segid "RN " and resid 2 and name H3' )) (( segid "RN " and resid 3 and name H8 )) 4.400 0.500 0.500 peak 156 spectrum 1 ASSI { 157} (( segid "RN " and resid 4 and name H3' )) (( segid "RN " and resid 4 and name H6 )) 4.000 0.500 0.500 peak 157 spectrum 1 ASSI { 158} (( segid "RN " and resid 5 and name H2' )) (( segid "RN " and resid 6 and name H6 )) 2.000 0.500 0.500 peak 158 spectrum 1 ASSI { 159} (( segid "RN " and resid 5 and name H3' )) (( segid "RN " and resid 6 and name H6 )) 2.000 0.500 0.500 peak 159 spectrum 1 ASSI { 160} (( segid "RN " and resid 5 and name H5'' )) (( segid "RN " and resid 5 and name H1' )) 4.500 0.500 0.500 peak 160 spectrum 1 ASSI { 161} (( segid "RN " and resid 3 and name H4' )) (( segid "RN " and resid 3 and name H1' )) 4.000 0.500 0.500 peak 161 spectrum 1 ASSI { 162} (( segid "RN " and resid 5 and name H2' )) (( segid "RN " and resid 5 and name H5'' )) 4.600 0.500 0.500 peak 162 spectrum 1 ASSI { 163} (( segid "RN " and resid 5 and name H5'' )) (( segid "RN " and resid 5 and name H8 )) 3.600 0.500 0.500 peak 163 spectrum 1 ASSI { 164} (( segid "RN " and resid 3 and name H4' )) (( segid "RN " and resid 3 and name H3' )) 3.000 0.500 0.500 peak 164 spectrum 1 ASSI { 165} (( segid "RN " and resid 6 and name H2' )) (( segid "RN " and resid 6 and name H6 )) 3.000 0.500 0.500 peak 165 spectrum 1 ASSI { 166} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 6 and name H6 )) 4.000 0.800 0.800 peak 166 spectrum 1 ASSI { 167} (( segid "RN " and resid 6 and name H5 )) (( segid "RN " and resid 5 and name H8 )) 3.500 0.500 0.500 peak 167 spectrum 1 ASSI { 168} (( segid "RN " and resid 3 and name H2' )) (( segid "RN " and resid 3 and name H4' )) 3.500 0.500 0.500 peak 168 spectrum 1 ASSI { 169} (( segid "RN " and resid 3 and name H4' )) (( segid "RN " and resid 3 and name H5' )) 3.000 0.500 0.500 peak 169 spectrum 1 ASSI { 170} (( segid "RN " and resid 3 and name H4' )) (( segid "RN " and resid 3 and name H1' )) 3.500 1.500 1.500 peak 170 spectrum 1 ASSI { 171} (( segid "RN " and resid 3 and name H4' )) (( segid "RN " and resid 3 and name H8 )) 4.000 0.500 0.500 peak 171 spectrum 1 ASSI { 172} (( segid "RN " and resid 2 and name H1' )) (( segid "RN " and resid 2 and name H5' )) 4.500 0.500 0.500 peak 172 spectrum 1 ASSI { 173} (( segid "RN " and resid 5 and name H3' )) (( segid "RN " and resid 5 and name H8 )) 3.500 0.500 0.500 peak 173 spectrum 1 ASSI { 176} (( segid "RN " and resid 5 and name H2' )) (( segid "RN " and resid 6 and name H5 )) 2.500 0.500 0.500 peak 176 spectrum 1 ASSI { 177} (( segid "RN " and resid 6 and name H5 )) (( segid "RN " and resid 6 and name H3' )) 5.500 0.500 0.500 peak 178 spectrum 1 ASSI { 178} (( segid "RN " and resid 6 and name H5 )) (( segid "RN " and resid 6 and name H2' )) 5.500 0.500 0.500 peak 179 spectrum 1 ASSI { 179} (( segid "RN " and resid 6 and name H1' )) (( segid "RN " and resid 6 and name H3' )) 3.600 0.500 0.500 peak 179 spectrum 1 ASSI { 180} (( segid "RN " and resid 5 and name H1' )) (( segid "RN " and resid 5 and name H3' )) 3.600 0.500 0.500 peak 180 spectrum 1 ASSI { 27} (( segid "RN " and resid 3 and name H1' )) (( segid "RN " and resid 4 and name H6 )) 3.500 0.500 0.500 peak 27 spectrum 1 ASSI { 28} (( segid "RN " and resid 4 and name H1' )) (( segid "RN " and resid 5 and name H8 )) 2.500 0.500 0.500 peak 28 spectrum 1 ASSI { 29} (( segid "RN " and resid 4 and name H2' )) (( segid "RN " and resid 3 and name H4' ) 3.500 0.700 0.700 peak 29 spectrum 1 ASSI { 201} (( segid "RN " and resid 3 and name H2' )) (( segid "RN " and resid 4 and name H5 )) 3.500 0.500 0.500 peak 201 spectrum 1 ASSI { 202} (( segid "RN " and resid 3 and name H3' )) (( segid "RN " and resid 4 and name H5 )) 3.500 0.500 0.500 peak 202 spectrum 1 ASSI { 203} (( segid "RN " and resid 1 and name H1' )) (( segid "RN " and resid 1 and name H8 )) 3.000 0.500 0.500 peak 203 spectrum 1 ASSI { 204} (( segid "RN " and resid 1 and name H1' )) (( segid "RN " and resid 2 and name H6 )) 3.000 0.500 0.500 peak 204 spectrum 1 ASSI { 205} (( segid "RN " and resid 1 and name H2' )) (( segid "RN " and resid 1 and name H8 )) 2.500 0.500 0.500 peak 205 spectrum 1 ASSI { 206} (( segid "RN " and resid 1 and name H2' )) (( segid "RN " and resid 2 and name H6 )) 2.500 0.500 0.500 peak 206 spectrum 1 ASSI { 207} (( segid "RN " and resid 1 and name H3' )) (( segid "RN " and resid 2 and name H6 )) 3.000 0.500 0.500 peak 207 spectrum 1 ASSI { 208} (( segid "RN " and resid 1 and name H3' )) (( segid "RN " and resid 1 and name H8 )) 3.000 0.500 0.500 peak 208 spectrum 1 ! ASSI { 209} ! (( segid "RN " and resid 4 and name H6 )) ! (( segid "RN " and resid 3 and name H8 )) ! 4.000 0.500 0.500 peak 209 spectrum 1 ! ASSI { 210} ! (( segid "RN " and resid 4 and name H1' )) ! (( segid "RN " and resid 4 and name H2' )) ! 3.500 0.500 0.500 peak 210 spectrum 1 ASSI { 211} (( segid "RN " and resid 4 and name H5 )) (( segid "RN " and resid 4 and name H6 )) 2.500 0.500 0.500 peak 211 spectrum 1 ASSI { 212} (( segid "RN " and resid 4 and name H1' )) (( segid "RN " and resid 3 and name H2 )) 4.500 0.500 0.500 peak 212 spectrum 1 ! ASSI { 213} (( segid "RN " and resid 4 and name H2' )) (( segid "RN " and resid 5 and name H8 )) 3.500 1.500 1.500 peak 213 spectrum 1 ! ! ASSI { 214} (( segid "RN " and resid 4 and name H2' )) (( segid "RN " and resid 5 and name H1' )) 4.500 1.500 1.500 peak 214 spectrum 1
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