NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
20327 | 2fj3 | 6953 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 8} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD2%) 5.400 3.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.44541E-03 ppm1 8.042 ppm2 -0.001 CV 1 ASSI { 10} (( segid " " and resid 124 and name HN )) (( segid " " and resid 161 and name HB2 )) 4.800 2.900 1.200 peak 10 spectrum 1 weight 0.11000E+01 volume 0.46483E-03 ppm1 8.197 ppm2 2.572 CV 1 ASSI { 11} (( segid " " and resid 124 and name HN )) (( segid " " and resid 127 and name HB2 )) 4.600 2.700 1.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.40458E-03 ppm1 8.195 ppm2 2.945 CV 1 ASSI { 14} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA1 )) 3.300 1.400 1.400 peak 14 spectrum 1 weight 0.11000E+01 volume 0.15220E-02 ppm1 8.305 ppm2 3.992 CV 1 OR { 14} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA2 )) ASSI { 15} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA2 )) 4.600 2.600 1.400 peak 15 spectrum 1 weight 0.11000E+01 volume 0.21799E-03 ppm1 8.141 ppm2 4.018 CV 1 OR { 15} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA1 )) ASSI { 16} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.300 1.300 peak 16 spectrum 1 weight 0.11000E+01 volume 0.14787E-02 ppm1 8.362 ppm2 4.573 CV 1 ASSI { 18} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HN )) 2.800 1.000 1.000 peak 18 spectrum 1 weight 0.11000E+01 volume 0.38631E-02 ppm1 8.179 ppm2 8.387 CV 1 ASSI { 19} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.300 1.300 1.300 peak 19 spectrum 1 weight 0.11000E+01 volume 0.17304E-02 ppm1 8.180 ppm2 4.741 CV 1 ASSI { 20} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA1 )) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.11000E+01 volume 0.35078E-02 ppm1 8.180 ppm2 3.858 CV 1 OR { 20} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA2 )) ASSI { 21} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA1 )) 2.700 0.900 0.900 peak 21 spectrum 1 weight 0.11000E+01 volume 0.47852E-02 ppm1 8.046 ppm2 3.856 CV 1 OR { 21} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA2 )) ASSI { 22} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HD2 )) 4.000 2.000 2.000 peak 22 spectrum 1 weight 0.11000E+01 volume 0.12000E-02 ppm1 8.044 ppm2 1.683 CV 1 OR { 22} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HD1 )) ASSI { 23} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.800 0.800 peak 23 spectrum 1 weight 0.11000E+01 volume 0.82012E-02 ppm1 8.430 ppm2 4.457 CV 1 ASSI { 24} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.400 0.700 0.700 peak 24 spectrum 1 weight 0.11000E+01 volume 0.89080E-02 ppm1 8.325 ppm2 4.440 CV 1 ASSI { 25} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD1 )) 3.800 1.800 1.800 peak 25 spectrum 1 weight 0.11000E+01 volume 0.97790E-03 ppm1 8.324 ppm2 1.721 CV 1 OR { 25} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD2 )) ASSI { 26} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HN )) 3.200 3.200 2.800 peak 26 spectrum 1 weight 0.11000E+01 volume 0.27270E-02 ppm1 8.325 ppm2 8.532 CV 1 ASSI { 27} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.400 0.700 0.700 peak 27 spectrum 1 weight 0.11000E+01 volume 0.91082E-02 ppm1 8.531 ppm2 4.410 CV 1 ASSI { 28} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 3.700 1.700 1.700 peak 28 spectrum 1 weight 0.11000E+01 volume 0.90724E-03 ppm1 8.530 ppm2 1.792 CV 1 ASSI { 29} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.400 0.700 0.700 peak 29 spectrum 1 weight 0.11000E+01 volume 0.95007E-02 ppm1 8.131 ppm2 4.317 CV 1 ASSI { 30} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.11000E+01 volume 0.53920E-02 ppm1 8.384 ppm2 4.361 CV 1 ASSI { 31} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.500 0.800 0.800 peak 31 spectrum 1 weight 0.11000E+01 volume 0.63970E-02 ppm1 8.406 ppm2 4.481 CV 1 ASSI { 32} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.11000E+01 volume 0.63970E-02 ppm1 8.406 ppm2 4.483 CV 1 ASSI { 33} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.500 1.600 1.600 peak 33 spectrum 1 weight 0.11000E+01 volume 0.92416E-03 ppm1 8.406 ppm2 1.985 CV 1 ASSI { 34} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.500 0.800 0.800 peak 34 spectrum 1 weight 0.11000E+01 volume 0.73262E-02 ppm1 8.288 ppm2 4.470 CV 1 ASSI { 35} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.300 1.300 1.300 peak 35 spectrum 1 weight 0.11000E+01 volume 0.18577E-02 ppm1 8.288 ppm2 1.713 CV 1 OR { 35} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB1 )) ASSI { 36} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.600 0.900 0.900 peak 36 spectrum 1 weight 0.11000E+01 volume 0.48505E-02 ppm1 8.571 ppm2 4.261 CV 1 ASSI { 37} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.800 1.800 1.800 peak 37 spectrum 1 weight 0.11000E+01 volume 0.79688E-03 ppm1 8.569 ppm2 3.159 CV 1 ASSI { 38} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 38 spectrum 1 weight 0.11000E+01 volume 0.89844E-02 ppm1 8.224 ppm2 4.713 CV 1 ASSI { 39} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.300 0.700 0.700 peak 39 spectrum 1 weight 0.11000E+01 volume 0.99038E-02 ppm1 8.468 ppm2 4.111 CV 1 ASSI { 40} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HB% ) 3.000 1.200 1.200 peak 40 spectrum 1 weight 0.11000E+01 volume 0.27656E-02 ppm1 8.467 ppm2 1.403 CV 1 ASSI { 41} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.500 0.800 0.800 peak 41 spectrum 1 weight 0.11000E+01 volume 0.59632E-02 ppm1 8.363 ppm2 4.311 CV 1 ASSI { 42} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA1 )) 2.900 1.100 1.100 peak 42 spectrum 1 weight 0.11000E+01 volume 0.30967E-02 ppm1 8.360 ppm2 3.928 CV 1 OR { 42} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA2 )) ASSI { 43} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA1 )) 2.600 0.800 0.800 peak 43 spectrum 1 weight 0.11000E+01 volume 0.65949E-02 ppm1 8.154 ppm2 3.936 CV 1 OR { 43} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA2 )) ASSI { 44} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HB% ) 3.100 1.200 1.200 peak 44 spectrum 1 weight 0.11000E+01 volume 0.26578E-02 ppm1 8.153 ppm2 1.371 CV 1 ASSI { 45} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.600 0.800 0.800 peak 45 spectrum 1 weight 0.11000E+01 volume 0.60154E-02 ppm1 8.292 ppm2 4.300 CV 1 ASSI { 46} (( segid " " and resid 115 and name HN )) ( segid " " and resid 116 and name HB% ) 3.200 1.200 1.200 peak 46 spectrum 1 weight 0.11000E+01 volume 0.30958E-02 ppm1 8.293 ppm2 1.375 CV 1 ASSI { 47} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.400 0.700 0.700 peak 47 spectrum 1 weight 0.11000E+01 volume 0.88182E-02 ppm1 8.218 ppm2 4.273 CV 1 ASSI { 48} (( segid " " and resid 117 and name HN )) ( segid " " and resid 117 and name HB% ) 2.600 0.900 0.900 peak 48 spectrum 1 weight 0.11000E+01 volume 0.63218E-02 ppm1 8.216 ppm2 1.380 CV 1 ASSI { 49} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.600 0.800 0.800 peak 49 spectrum 1 weight 0.11000E+01 volume 0.57974E-02 ppm1 8.283 ppm2 4.299 CV 1 ASSI { 50} (( segid " " and resid 118 and name HN )) ( segid " " and resid 117 and name HB% ) 6.000 4.900 0.000 peak 50 spectrum 1 weight 0.11000E+01 volume 0.41374E-04 ppm1 8.277 ppm2 1.402 CV 1 ASSI { 51} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA1 )) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.11000E+01 volume 0.49503E-02 ppm1 8.284 ppm2 3.920 CV 1 OR { 51} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA2 )) ASSI { 52} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA2 )) 2.600 0.800 0.800 peak 52 spectrum 1 weight 0.11000E+01 volume 0.64072E-02 ppm1 8.051 ppm2 3.924 CV 1 OR { 52} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA1 )) ASSI { 53} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 3.700 1.800 1.800 peak 53 spectrum 1 weight 0.11000E+01 volume 0.61345E-03 ppm1 8.048 ppm2 4.338 CV 1 ASSI { 54} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HB% ) 2.700 0.900 0.900 peak 54 spectrum 1 weight 0.11000E+01 volume 0.65379E-02 ppm1 8.051 ppm2 1.355 CV 1 ASSI { 55} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.300 0.700 0.700 peak 55 spectrum 1 weight 0.11000E+01 volume 0.11765E-01 ppm1 8.120 ppm2 4.354 CV 1 ASSI { 56} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HB% ) 3.600 1.600 1.600 peak 56 spectrum 1 weight 0.11000E+01 volume 0.19608E-02 ppm1 8.120 ppm2 1.364 CV 1 ASSI { 57} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 3.300 1.300 1.300 peak 57 spectrum 1 weight 0.11000E+01 volume 0.13666E-02 ppm1 8.122 ppm2 4.126 CV 1 ASSI { 58} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB )) 3.000 1.100 1.100 peak 58 spectrum 1 weight 0.11000E+01 volume 0.34715E-02 ppm1 8.120 ppm2 2.017 CV 1 ASSI { 59} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HG2%) 2.600 0.900 0.900 peak 59 spectrum 1 weight 0.11000E+01 volume 0.52076E-02 ppm1 8.121 ppm2 0.891 CV 1 ASSI { 60} (( segid " " and resid 121 and name HN )) (( segid " " and resid 185 and name HN )) 3.200 3.200 2.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 8.262 ppm2 8.435 CV 1 ASSI { 61} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.200 0.600 0.600 peak 61 spectrum 1 weight 0.11000E+01 volume 0.12759E-01 ppm1 8.263 ppm2 4.115 CV 1 ASSI { 62} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB )) 2.400 0.700 0.700 peak 62 spectrum 1 weight 0.11000E+01 volume 0.55273E-02 ppm1 8.262 ppm2 2.018 CV 1 ASSI { 63} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HG1%) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.11000E+01 volume 0.61413E-02 ppm1 8.263 ppm2 0.892 CV 1 ASSI { 64} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 2.100 0.500 0.500 peak 64 spectrum 1 weight 0.11000E+01 volume 0.14274E-01 ppm1 8.525 ppm2 4.091 CV 1 ASSI { 65} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 3.900 1.900 1.900 peak 65 spectrum 1 weight 0.11000E+01 volume 0.63463E-03 ppm1 8.519 ppm2 2.058 CV 1 ASSI { 66} (( segid " " and resid 122 and name HN )) ( segid " " and resid 121 and name HG1%) 3.700 1.700 1.700 peak 66 spectrum 1 weight 0.11000E+01 volume 0.26352E-02 ppm1 8.524 ppm2 0.892 CV 1 ASSI { 67} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA2 )) 2.300 0.700 0.700 peak 67 spectrum 1 weight 0.11000E+01 volume 0.11847E-01 ppm1 8.525 ppm2 3.954 CV 1 OR { 67} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA1 )) ASSI { 68} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 2.600 0.900 0.900 peak 68 spectrum 1 weight 0.11000E+01 volume 0.27749E-02 ppm1 8.525 ppm2 8.235 CV 1 ASSI { 70} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA2 )) 2.100 0.500 0.500 peak 70 spectrum 1 weight 0.11000E+01 volume 0.18506E-01 ppm1 8.247 ppm2 3.961 CV 1 OR { 70} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA1 )) ASSI { 71} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA2 )) 2.500 0.800 0.800 peak 71 spectrum 1 weight 0.11000E+01 volume 0.88301E-02 ppm1 8.213 ppm2 3.965 CV 1 OR { 71} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA1 )) ASSI { 72} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.700 0.900 0.900 peak 72 spectrum 1 weight 0.11000E+01 volume 0.28954E-02 ppm1 8.213 ppm2 4.350 CV 1 ASSI { 73} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) 2.400 0.700 0.700 peak 73 spectrum 1 weight 0.11000E+01 volume 0.83227E-02 ppm1 8.213 ppm2 1.537 CV 1 ASSI { 74} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.300 3.300 2.700 peak 74 spectrum 1 weight 0.11000E+01 volume 0.15933E-02 ppm1 8.212 ppm2 1.642 CV 1 ASSI { 75} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HG )) 2.900 1.100 1.100 peak 75 spectrum 1 weight 0.11000E+01 volume 0.25740E-02 ppm1 8.214 ppm2 1.459 CV 1 ASSI { 76} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HA1 )) 3.400 1.400 1.400 peak 76 spectrum 1 weight 0.11000E+01 volume 0.34377E-02 ppm1 8.209 ppm2 3.889 CV 1 ASSI { 77} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.11000E+01 volume 0.38451E-02 ppm1 8.213 ppm2 8.531 CV 1 ASSI { 78} (( segid " " and resid 124 and name HN )) (( segid " " and resid 126 and name HN )) 3.800 1.800 1.800 peak 78 spectrum 1 weight 0.11000E+01 volume 0.12858E-02 ppm1 8.212 ppm2 8.393 CV 1 ASSI { 79} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HN )) 3.200 1.300 1.300 peak 79 spectrum 1 weight 0.11000E+01 volume 0.25612E-02 ppm1 8.519 ppm2 8.255 CV 1 ASSI { 80} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.11000E+01 volume 0.59577E-02 ppm1 8.518 ppm2 4.346 CV 1 ASSI { 81} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.700 1.700 1.700 peak 81 spectrum 1 weight 0.11000E+01 volume 0.11829E-02 ppm1 8.519 ppm2 1.572 CV 1 ASSI { 82} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA1 )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.11000E+01 volume 0.66643E-02 ppm1 8.512 ppm2 3.887 CV 1 ASSI { 83} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HA2 )) 3.000 3.000 3.000 peak 83 spectrum 1 weight 0.11000E+01 volume 0.10251E-01 ppm1 8.517 ppm2 3.894 CV 1 ASSI { 86} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HA )) 4.300 2.300 1.700 peak 86 spectrum 1 weight 0.11000E+01 volume 0.28238E-03 ppm1 8.363 ppm2 4.339 CV 1 ASSI { 87} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 3.000 1.200 1.200 peak 87 spectrum 1 weight 0.11000E+01 volume 0.21386E-02 ppm1 8.365 ppm2 8.531 CV 1 ASSI { 88} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA1 )) 2.500 0.800 0.800 peak 88 spectrum 1 weight 0.11000E+01 volume 0.74959E-02 ppm1 8.368 ppm2 3.808 CV 1 ASSI { 89} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.400 0.700 0.700 peak 89 spectrum 1 weight 0.11000E+01 volume 0.10449E-01 ppm1 8.369 ppm2 3.921 CV 1 ASSI { 90} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HD% ) 4.900 3.000 1.100 peak 90 spectrum 1 weight 0.11000E+01 volume 0.16958E-03 ppm1 8.366 ppm2 6.867 CV 1 ASSI { 91} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 3.000 1.100 1.100 peak 91 spectrum 1 weight 0.11000E+01 volume 0.26645E-02 ppm1 8.368 ppm2 7.822 CV 1 ASSI { 92} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA1 )) 3.000 1.100 1.100 peak 92 spectrum 1 weight 0.11000E+01 volume 0.17452E-02 ppm1 7.800 ppm2 3.789 CV 1 ASSI { 93} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA2 )) 3.500 1.600 1.600 peak 93 spectrum 1 weight 0.11000E+01 volume 0.25875E-02 ppm1 7.800 ppm2 3.921 CV 1 ASSI { 95} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 95 spectrum 1 weight 0.11000E+01 volume 0.17817E-02 ppm1 7.802 ppm2 4.420 CV 1 ASSI { 96} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.700 0.900 0.900 peak 96 spectrum 1 weight 0.11000E+01 volume 0.36709E-02 ppm1 7.801 ppm2 2.922 CV 1 ASSI { 97} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HD% ) 2.900 2.900 3.100 peak 97 spectrum 1 weight 0.11000E+01 volume 0.37369E-02 ppm1 7.801 ppm2 6.851 CV 1 ASSI { 99} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB1 )) 5.600 3.900 0.400 peak 99 spectrum 1 weight 0.11000E+01 volume 0.18348E-03 ppm1 7.814 ppm2 1.573 CV 1 ASSI { 101} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 5.500 3.800 0.500 peak 101 spectrum 1 weight 0.11000E+01 volume 0.19594E-03 ppm1 7.809 ppm2 9.124 CV 1 ASSI { 102} (( segid " " and resid 127 and name HN )) (( segid " " and resid 163 and name HD2 )) 4.200 2.200 1.800 peak 102 spectrum 1 weight 0.11000E+01 volume 0.82374E-03 ppm1 7.813 ppm2 3.011 CV 1 ASSI { 103} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.200 0.600 0.600 peak 103 spectrum 1 weight 0.11000E+01 volume 0.43821E-02 ppm1 9.101 ppm2 4.412 CV 1 ASSI { 104} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.100 1.200 1.200 peak 104 spectrum 1 weight 0.11000E+01 volume 0.14681E-02 ppm1 9.101 ppm2 2.877 CV 1 ASSI { 105} (( segid " " and resid 128 and name HN )) ( segid " " and resid 127 and name HD% ) 4.500 2.500 1.500 peak 105 spectrum 1 weight 0.11000E+01 volume 0.70188E-03 ppm1 9.099 ppm2 6.854 CV 1 ASSI { 107} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.11000E+01 volume 0.31926E-02 ppm1 9.102 ppm2 4.477 CV 1 ASSI { 108} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 2.900 1.100 1.100 peak 108 spectrum 1 weight 0.11000E+01 volume 0.10371E-02 ppm1 9.100 ppm2 1.606 CV 1 ASSI { 109} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.900 1.900 1.900 peak 109 spectrum 1 weight 0.11000E+01 volume 0.16924E-02 ppm1 9.101 ppm2 1.057 CV 1 ASSI { 110} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG1 )) 3.200 1.300 1.300 peak 110 spectrum 1 weight 0.11000E+01 volume 0.13053E-02 ppm1 9.101 ppm2 2.211 CV 1 ASSI { 111} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HA )) 3.600 1.600 1.600 peak 111 spectrum 1 weight 0.11000E+01 volume 0.10681E-02 ppm1 9.102 ppm2 4.541 CV 1 ASSI { 112} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 5.300 3.500 0.700 peak 112 spectrum 1 weight 0.11000E+01 volume 0.12867E-03 ppm1 9.102 ppm2 8.064 CV 1 ASSI { 113} (( segid " " and resid 128 and name HN )) (( segid " " and resid 161 and name HA )) 5.600 3.900 0.400 peak 113 spectrum 1 weight 0.11000E+01 volume 0.13073E-03 ppm1 9.102 ppm2 5.562 CV 1 ASSI { 115} (( segid " " and resid 128 and name HN )) (( segid " " and resid 163 and name HA )) 3.400 1.400 1.400 peak 115 spectrum 1 weight 0.11000E+01 volume 0.27843E-03 ppm1 9.103 ppm2 4.652 CV 1 ASSI { 116} (( segid " " and resid 128 and name HN )) (( segid " " and resid 163 and name HG1 )) 6.000 6.000 0.000 peak 116 spectrum 1 weight 0.11000E+01 volume 0.75037E-05 ppm1 9.106 ppm2 1.677 CV 1 ASSI { 117} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.700 1.700 1.700 peak 117 spectrum 1 weight 0.11000E+01 volume 0.28166E-02 ppm1 8.037 ppm2 1.010 CV 1 ASSI { 118} (( segid " " and resid 129 and name HN )) ( segid " " and resid 128 and name HE% ) 5.400 3.700 0.600 peak 118 spectrum 1 weight 0.11000E+01 volume 0.12427E-03 ppm1 8.041 ppm2 1.985 CV 1 ASSI { 119} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG1 )) 4.200 2.200 1.800 peak 119 spectrum 1 weight 0.11000E+01 volume 0.56610E-03 ppm1 8.042 ppm2 2.223 CV 1 ASSI { 120} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.11000E+01 volume 0.82643E-02 ppm1 8.042 ppm2 4.501 CV 1 ASSI { 121} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 3.000 3.000 3.000 peak 121 spectrum 1 weight 0.11000E+01 volume 0.35106E-02 ppm1 8.033 ppm2 1.606 CV 1 ASSI { 122} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.600 2.600 3.400 peak 122 spectrum 1 weight 0.11000E+01 volume 0.28166E-02 ppm1 8.042 ppm2 1.011 CV 1 ASSI { 123} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD1%) 4.900 3.000 1.100 peak 123 spectrum 1 weight 0.11000E+01 volume 0.50481E-03 ppm1 8.044 ppm2 0.621 CV 1 ASSI { 124} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 5.000 5.000 1.000 peak 124 spectrum 1 weight 0.11000E+01 volume 0.30624E-03 ppm1 9.341 ppm2 1.628 CV 1 ASSI { 125} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 5.500 5.500 0.500 peak 125 spectrum 1 weight 0.11000E+01 volume 0.25328E-03 ppm1 9.336 ppm2 0.991 CV 1 ASSI { 126} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD1%) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.11000E+01 volume 0.17293E-03 ppm1 9.362 ppm2 0.637 CV 1 ASSI { 127} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD2%) 3.900 1.900 1.900 peak 127 spectrum 1 weight 0.11000E+01 volume 0.13340E-02 ppm1 9.342 ppm2 0.002 CV 1 ASSI { 128} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HG )) 6.000 4.800 0.000 peak 128 spectrum 1 weight 0.11000E+01 volume 0.46138E-04 ppm1 9.350 ppm2 1.434 CV 1 ASSI { 129} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA1 )) 2.300 2.300 3.700 peak 129 spectrum 1 weight 0.11000E+01 volume 0.31121E-02 ppm1 9.341 ppm2 4.478 CV 1 ASSI { 130} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA2 )) 3.000 1.100 1.100 peak 130 spectrum 1 weight 0.11000E+01 volume 0.14090E-02 ppm1 9.341 ppm2 4.155 CV 1 ASSI { 132} (( segid " " and resid 130 and name HN )) (( segid " " and resid 159 and name HA )) 4.500 2.500 1.500 peak 132 spectrum 1 weight 0.11000E+01 volume 0.63888E-03 ppm1 9.340 ppm2 4.576 CV 1 ASSI { 133} (( segid " " and resid 130 and name HN )) ( segid " " and resid 160 and name HG1%) 6.000 4.500 0.000 peak 133 spectrum 1 weight 0.11000E+01 volume 0.13934E-03 ppm1 9.343 ppm2 0.953 CV 1 ASSI { 135} (( segid " " and resid 130 and name HN )) (( segid " " and resid 161 and name HA )) 3.900 1.900 1.900 peak 135 spectrum 1 weight 0.11000E+01 volume 0.41634E-03 ppm1 9.339 ppm2 5.574 CV 1 ASSI { 136} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HD% ) 4.300 2.300 1.700 peak 136 spectrum 1 weight 0.11000E+01 volume 0.22668E-03 ppm1 9.345 ppm2 7.195 CV 1 ASSI { 137} (( segid " " and resid 130 and name HN )) ( segid " " and resid 162 and name HE% ) 4.400 2.500 1.600 peak 137 spectrum 1 weight 0.11000E+01 volume 0.70932E-03 ppm1 9.341 ppm2 6.501 CV 1 ASSI { 138} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA1 )) 2.800 1.000 1.000 peak 138 spectrum 1 weight 0.11000E+01 volume 0.86945E-02 ppm1 8.350 ppm2 4.423 CV 1 ASSI { 139} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA2 )) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.11000E+01 volume 0.40246E-02 ppm1 8.351 ppm2 4.156 CV 1 ASSI { 140} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 4.200 2.200 1.800 peak 140 spectrum 1 weight 0.11000E+01 volume 0.49411E-03 ppm1 8.352 ppm2 9.361 CV 1 ASSI { 141} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.11000E+01 volume 0.66901E-02 ppm1 8.352 ppm2 4.405 CV 1 ASSI { 142} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.000 1.200 1.200 peak 142 spectrum 1 weight 0.11000E+01 volume 0.51247E-02 ppm1 8.352 ppm2 3.962 CV 1 ASSI { 143} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.11000E+01 volume 0.40918E-02 ppm1 8.351 ppm2 3.902 CV 1 ASSI { 144} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 5.000 3.100 1.000 peak 144 spectrum 1 weight 0.11000E+01 volume 0.55069E-03 ppm1 8.353 ppm2 8.597 CV 1 ASSI { 145} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.300 0.600 0.600 peak 145 spectrum 1 weight 0.11000E+01 volume 0.98790E-02 ppm1 8.606 ppm2 4.408 CV 1 ASSI { 146} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 2.700 0.900 0.900 peak 146 spectrum 1 weight 0.11000E+01 volume 0.38963E-02 ppm1 8.605 ppm2 3.964 CV 1 ASSI { 147} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.500 1.600 1.600 peak 147 spectrum 1 weight 0.11000E+01 volume 0.23339E-02 ppm1 8.606 ppm2 3.895 CV 1 ASSI { 148} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HB% ) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.11000E+01 volume 0.79922E-02 ppm1 8.606 ppm2 1.273 CV 1 ASSI { 149} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 3.400 1.400 1.400 peak 149 spectrum 1 weight 0.11000E+01 volume 0.92056E-03 ppm1 8.604 ppm2 8.814 CV 1 ASSI { 150} (( segid " " and resid 132 and name HN )) (( segid " " and resid 159 and name HB2 )) 5.300 3.600 0.700 peak 150 spectrum 1 weight 0.11000E+01 volume 0.36740E-03 ppm1 8.608 ppm2 2.136 CV 1 ASSI { 151} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.200 0.600 0.600 peak 151 spectrum 1 weight 0.11000E+01 volume 0.65813E-02 ppm1 8.821 ppm2 4.374 CV 1 ASSI { 152} (( segid " " and resid 133 and name HN )) ( segid " " and resid 132 and name HB% ) 3.500 1.500 1.500 peak 152 spectrum 1 weight 0.11000E+01 volume 0.24281E-02 ppm1 8.820 ppm2 1.272 CV 1 ASSI { 153} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 3.300 1.300 1.300 peak 153 spectrum 1 weight 0.11000E+01 volume 0.11464E-02 ppm1 8.816 ppm2 4.748 CV 1 ASSI { 154} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.000 1.100 1.100 peak 154 spectrum 1 weight 0.11000E+01 volume 0.13604E-02 ppm1 8.822 ppm2 2.111 CV 1 ASSI { 155} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 4.000 2.000 2.000 peak 155 spectrum 1 weight 0.11000E+01 volume 0.14070E-02 ppm1 8.822 ppm2 1.964 CV 1 ASSI { 156} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HE% ) 5.000 3.200 1.000 peak 156 spectrum 1 weight 0.11000E+01 volume 0.44936E-03 ppm1 8.841 ppm2 1.883 CV 1 ASSI { 157} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG1 )) 3.200 1.300 1.300 peak 157 spectrum 1 weight 0.11000E+01 volume 0.74284E-03 ppm1 8.820 ppm2 2.508 CV 1 ASSI { 158} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG2 )) 3.300 1.400 1.400 peak 158 spectrum 1 weight 0.11000E+01 volume 0.14851E-02 ppm1 8.821 ppm2 2.451 CV 1 ASSI { 159} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 4.400 2.400 1.600 peak 159 spectrum 1 weight 0.11000E+01 volume 0.30234E-03 ppm1 8.828 ppm2 8.443 CV 1 ASSI { 160} (( segid " " and resid 133 and name HN )) (( segid " " and resid 158 and name HA )) 4.300 2.300 1.700 peak 160 spectrum 1 weight 0.11000E+01 volume 0.99367E-03 ppm1 8.806 ppm2 4.720 CV 1 ASSI { 161} (( segid " " and resid 133 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.100 2.100 1.900 peak 161 spectrum 1 weight 0.11000E+01 volume 0.55545E-03 ppm1 8.821 ppm2 3.668 CV 1 ASSI { 162} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HA )) 4.200 2.200 1.800 peak 162 spectrum 1 weight 0.11000E+01 volume 0.31761E-03 ppm1 8.814 ppm2 4.582 CV 1 ASSI { 163} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HG2 )) 5.000 3.200 1.000 peak 163 spectrum 1 weight 0.11000E+01 volume 0.45984E-03 ppm1 8.822 ppm2 2.381 CV 1 OR { 163} (( segid " " and resid 133 and name HN )) (( segid " " and resid 159 and name HG1 )) ASSI { 164} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 164 spectrum 1 weight 0.11000E+01 volume 0.66665E-02 ppm1 8.433 ppm2 4.748 CV 1 ASSI { 165} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.500 1.500 1.500 peak 165 spectrum 1 weight 0.11000E+01 volume 0.22137E-02 ppm1 8.437 ppm2 2.111 CV 1 ASSI { 166} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.000 1.100 1.100 peak 166 spectrum 1 weight 0.11000E+01 volume 0.22079E-02 ppm1 8.434 ppm2 1.980 CV 1 ASSI { 167} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HG2 )) 4.600 2.700 1.400 peak 167 spectrum 1 weight 0.11000E+01 volume 0.41838E-03 ppm1 8.442 ppm2 2.482 CV 1 ASSI { 168} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.11000E+01 volume 0.38497E-02 ppm1 8.434 ppm2 4.340 CV 1 ASSI { 169} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.800 1.000 1.000 peak 169 spectrum 1 weight 0.11000E+01 volume 0.49142E-02 ppm1 8.433 ppm2 3.778 CV 1 ASSI { 171} (( segid " " and resid 134 and name HN )) ( segid " " and resid 212 and name HE% ) 4.300 2.300 1.700 peak 171 spectrum 1 weight 0.11000E+01 volume 0.12237E-02 ppm1 8.437 ppm2 2.190 CV 1 ASSI { 172} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 2.300 0.700 0.700 peak 172 spectrum 1 weight 0.11000E+01 volume 0.82419E-02 ppm1 8.597 ppm2 4.336 CV 1 ASSI { 173} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) 5.000 5.000 1.000 peak 173 spectrum 1 weight 0.11000E+01 volume 0.19469E-03 ppm1 8.609 ppm2 3.696 CV 1 ASSI { 174} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.600 1.700 1.700 peak 174 spectrum 1 weight 0.11000E+01 volume 0.15193E-02 ppm1 8.598 ppm2 3.823 CV 1 ASSI { 175} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 3.900 1.900 1.900 peak 175 spectrum 1 weight 0.11000E+01 volume 0.35957E-03 ppm1 8.598 ppm2 8.438 CV 1 ASSI { 176} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.100 0.600 0.600 peak 176 spectrum 1 weight 0.11000E+01 volume 0.63901E-02 ppm1 8.598 ppm2 4.384 CV 1 ASSI { 177} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.700 0.900 0.900 peak 177 spectrum 1 weight 0.11000E+01 volume 0.44422E-02 ppm1 8.597 ppm2 1.848 CV 1 OR { 177} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) ASSI { 178} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD1 )) 5.100 3.200 0.900 peak 178 spectrum 1 weight 0.11000E+01 volume 0.28979E-03 ppm1 8.597 ppm2 3.038 CV 1 ASSI { 179} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HD2 )) 6.000 4.800 0.000 peak 179 spectrum 1 weight 0.11000E+01 volume 0.11349E-03 ppm1 8.579 ppm2 3.130 CV 1 ASSI { 180} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG2 )) 3.300 3.300 2.700 peak 180 spectrum 1 weight 0.11000E+01 volume 0.23636E-02 ppm1 8.598 ppm2 1.804 CV 1 ASSI { 181} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG1 )) 3.700 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24467E-02 ppm1 8.597 ppm2 1.659 CV 1 ASSI { 182} (( segid " " and resid 135 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.900 3.900 2.100 peak 182 spectrum 1 weight 0.11000E+01 volume 0.21226E-03 ppm1 8.582 ppm2 3.685 CV 1 ASSI { 183} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) 2.400 2.400 3.600 peak 183 spectrum 1 weight 0.11000E+01 volume 0.85446E-02 ppm1 8.668 ppm2 4.387 CV 1 ASSI { 184} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB1 )) 3.900 1.900 1.900 peak 184 spectrum 1 weight 0.11000E+01 volume 0.12277E-02 ppm1 8.669 ppm2 2.226 CV 1 ASSI { 185} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HG1 )) 3.900 1.900 1.900 peak 185 spectrum 1 weight 0.11000E+01 volume 0.12187E-02 ppm1 8.657 ppm2 1.731 CV 1 ASSI { 186} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.700 0.900 0.900 peak 186 spectrum 1 weight 0.11000E+01 volume 0.18729E-02 ppm1 8.671 ppm2 4.568 CV 1 ASSI { 187} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 3.200 1.200 1.200 peak 187 spectrum 1 weight 0.11000E+01 volume 0.43879E-02 ppm1 8.669 ppm2 1.629 CV 1 ASSI { 188} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.000 1.100 1.100 peak 188 spectrum 1 weight 0.11000E+01 volume 0.28450E-02 ppm1 8.671 ppm2 1.530 CV 1 ASSI { 189} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG )) 3.700 1.700 1.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.29563E-02 ppm1 8.670 ppm2 1.584 CV 1 ASSI { 190} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HG12)) 3.700 1.700 1.700 peak 190 spectrum 1 weight 0.11000E+01 volume 0.58658E-03 ppm1 8.667 ppm2 0.895 CV 1 ASSI { 191} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 4.000 2.000 2.000 peak 191 spectrum 1 weight 0.11000E+01 volume 0.36121E-03 ppm1 8.668 ppm2 6.979 CV 1 ASSI { 192} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.11000E+01 volume 0.76501E-02 ppm1 6.983 ppm2 4.555 CV 1 ASSI { 193} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB1 )) 4.100 2.100 1.900 peak 193 spectrum 1 weight 0.11000E+01 volume 0.69318E-03 ppm1 6.984 ppm2 1.641 CV 1 ASSI { 194} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 4.200 2.200 1.800 peak 194 spectrum 1 weight 0.11000E+01 volume 0.69770E-03 ppm1 6.985 ppm2 1.541 CV 1 ASSI { 195} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HG )) 5.100 3.300 0.900 peak 195 spectrum 1 weight 0.11000E+01 volume 0.56022E-03 ppm1 6.991 ppm2 1.618 CV 1 ASSI { 197} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 3.000 1.200 1.200 peak 197 spectrum 1 weight 0.11000E+01 volume 0.16619E-02 ppm1 6.983 ppm2 3.913 CV 1 ASSI { 198} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD1%) 5.200 3.400 0.800 peak 198 spectrum 1 weight 0.11000E+01 volume 0.30396E-03 ppm1 6.970 ppm2 0.377 CV 1 ASSI { 199} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG11)) 3.500 1.500 1.500 peak 199 spectrum 1 weight 0.11000E+01 volume 0.17735E-02 ppm1 6.983 ppm2 0.695 CV 1 ASSI { 200} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG12)) 2.500 2.500 3.500 peak 200 spectrum 1 weight 0.11000E+01 volume 0.22625E-02 ppm1 6.982 ppm2 0.888 CV 1 ASSI { 201} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HD1 )) 4.000 2.000 2.000 peak 201 spectrum 1 weight 0.11000E+01 volume 0.70229E-03 ppm1 6.981 ppm2 12.481 CV 1 ASSI { 202} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HE1 )) 4.300 2.300 1.700 peak 202 spectrum 1 weight 0.11000E+01 volume 0.46313E-03 ppm1 6.981 ppm2 7.168 CV 1 ASSI { 203} (( segid " " and resid 138 and name HN )) ( segid " " and resid 208 and name HG1%) 3.400 1.500 1.500 peak 203 spectrum 1 weight 0.11000E+01 volume 0.29400E-02 ppm1 6.982 ppm2 1.105 CV 1 ASSI { 204} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.400 2.400 3.600 peak 204 spectrum 1 weight 0.11000E+01 volume 0.89540E-02 ppm1 8.301 ppm2 3.916 CV 1 ASSI { 205} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 3.100 1.200 1.200 peak 205 spectrum 1 weight 0.11000E+01 volume 0.12878E-02 ppm1 8.300 ppm2 4.941 CV 1 ASSI { 206} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.300 1.400 1.400 peak 206 spectrum 1 weight 0.11000E+01 volume 0.16748E-02 ppm1 8.300 ppm2 3.291 CV 1 ASSI { 207} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.500 1.500 1.500 peak 207 spectrum 1 weight 0.11000E+01 volume 0.24573E-02 ppm1 8.300 ppm2 2.987 CV 1 ASSI { 208} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HD1 )) 3.100 1.200 1.200 peak 208 spectrum 1 weight 0.11000E+01 volume 0.22139E-02 ppm1 8.301 ppm2 12.478 CV 1 ASSI { 209} (( segid " " and resid 139 and name HN )) ( segid " " and resid 208 and name HG1%) 4.500 4.500 1.500 peak 209 spectrum 1 weight 0.11000E+01 volume 0.93089E-03 ppm1 8.299 ppm2 1.099 CV 1 ASSI { 210} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.100 1.100 peak 210 spectrum 1 weight 0.11000E+01 volume 0.40336E-02 ppm1 10.340 ppm2 4.941 CV 1 ASSI { 211} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.100 2.100 1.900 peak 211 spectrum 1 weight 0.11000E+01 volume 0.16384E-02 ppm1 10.341 ppm2 3.287 CV 1 ASSI { 212} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.200 1.300 1.300 peak 212 spectrum 1 weight 0.11000E+01 volume 0.61187E-03 ppm1 10.348 ppm2 2.981 CV 1 ASSI { 213} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 3.300 1.300 1.300 peak 213 spectrum 1 weight 0.11000E+01 volume 0.80044E-03 ppm1 10.340 ppm2 4.212 CV 1 ASSI { 214} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB1 )) 4.500 2.600 1.500 peak 214 spectrum 1 weight 0.11000E+01 volume 0.54351E-03 ppm1 10.339 ppm2 3.360 CV 1 ASSI { 215} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.300 1.400 1.400 peak 215 spectrum 1 weight 0.11000E+01 volume 0.13951E-02 ppm1 10.342 ppm2 2.843 CV 1 ASSI { 216} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HD% ) 3.400 1.500 1.500 peak 216 spectrum 1 weight 0.11000E+01 volume 0.19505E-02 ppm1 10.340 ppm2 7.374 CV 1 ASSI { 218} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 5.400 3.700 0.600 peak 218 spectrum 1 weight 0.11000E+01 volume 0.17074E-03 ppm1 10.315 ppm2 7.241 CV 1 ASSI { 219} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HA )) 5.500 3.800 0.500 peak 219 spectrum 1 weight 0.11000E+01 volume 0.19185E-03 ppm1 10.340 ppm2 4.683 CV 1 ASSI { 220} (( segid " " and resid 140 and name HN )) (( segid " " and resid 146 and name HB1 )) 4.600 2.600 1.400 peak 220 spectrum 1 weight 0.11000E+01 volume 0.64565E-03 ppm1 10.329 ppm2 2.943 CV 1 ASSI { 221} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HA )) 4.100 2.100 1.900 peak 221 spectrum 1 weight 0.11000E+01 volume 0.59801E-03 ppm1 9.018 ppm2 4.930 CV 1 ASSI { 222} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.300 2.400 1.700 peak 222 spectrum 1 weight 0.11000E+01 volume 0.12783E-02 ppm1 9.017 ppm2 3.290 CV 1 ASSI { 223} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 3.400 1.400 1.400 peak 223 spectrum 1 weight 0.11000E+01 volume 0.13616E-02 ppm1 9.022 ppm2 4.218 CV 1 ASSI { 224} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) 3.800 1.800 1.800 peak 224 spectrum 1 weight 0.11000E+01 volume 0.11816E-02 ppm1 9.023 ppm2 3.331 CV 1 ASSI { 225} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 3.000 1.100 1.100 peak 225 spectrum 1 weight 0.11000E+01 volume 0.15720E-02 ppm1 9.018 ppm2 10.361 CV 1 ASSI { 226} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA1 )) 3.000 1.200 1.200 peak 226 spectrum 1 weight 0.11000E+01 volume 0.34423E-02 ppm1 9.018 ppm2 4.134 CV 1 ASSI { 227} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA2 )) 2.600 0.800 0.800 peak 227 spectrum 1 weight 0.11000E+01 volume 0.36045E-02 ppm1 9.019 ppm2 3.725 CV 1 ASSI { 228} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 6.000 0.000 peak 228 spectrum 1 weight 0.11000E+01 volume 0.48342E-04 ppm1 9.019 ppm2 4.853 CV 1 ASSI { 229} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HB1 )) 4.900 3.000 1.100 peak 229 spectrum 1 weight 0.11000E+01 volume 0.62018E-03 ppm1 9.015 ppm2 2.818 CV 1 ASSI { 230} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HB2 )) 4.100 2.100 1.900 peak 230 spectrum 1 weight 0.11000E+01 volume 0.92226E-03 ppm1 9.018 ppm2 2.837 CV 1 ASSI { 232} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.600 2.700 1.400 peak 232 spectrum 1 weight 0.11000E+01 volume 0.11849E-02 ppm1 7.241 ppm2 3.290 CV 1 ASSI { 233} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HD2 )) 2.300 2.300 3.700 peak 233 spectrum 1 weight 0.11000E+01 volume 0.12278E-02 ppm1 7.240 ppm2 7.409 CV 1 ASSI { 234} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA1 )) 3.400 1.500 1.500 peak 234 spectrum 1 weight 0.11000E+01 volume 0.15900E-02 ppm1 7.241 ppm2 4.132 CV 1 ASSI { 235} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA2 )) 3.200 1.300 1.300 peak 235 spectrum 1 weight 0.11000E+01 volume 0.13695E-02 ppm1 7.241 ppm2 3.722 CV 1 ASSI { 236} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.500 0.800 0.800 peak 236 spectrum 1 weight 0.11000E+01 volume 0.50099E-02 ppm1 7.240 ppm2 9.044 CV 1 ASSI { 237} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.900 1.000 1.000 peak 237 spectrum 1 weight 0.11000E+01 volume 0.26446E-02 ppm1 7.241 ppm2 4.858 CV 1 ASSI { 238} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.11000E+01 volume 0.38688E-02 ppm1 7.239 ppm2 2.818 CV 1 ASSI { 239} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.11000E+01 volume 0.36486E-02 ppm1 7.231 ppm2 2.810 CV 1 ASSI { 240} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HD21)) 3.900 1.900 1.900 peak 240 spectrum 1 weight 0.11000E+01 volume 0.56800E-03 ppm1 7.238 ppm2 7.559 CV 1 ASSI { 241} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 3.500 1.500 1.500 peak 241 spectrum 1 weight 0.11000E+01 volume 0.26313E-02 ppm1 7.239 ppm2 8.972 CV 1 ASSI { 242} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HB1 )) 6.000 6.000 0.000 peak 242 spectrum 1 weight 0.11000E+01 volume 0.96758E-04 ppm1 7.249 ppm2 1.866 CV 1 ASSI { 243} (( segid " " and resid 142 and name HN )) (( segid " " and resid 146 and name HN )) 5.000 3.100 1.000 peak 243 spectrum 1 weight 0.11000E+01 volume 0.26780E-03 ppm1 7.243 ppm2 8.040 CV 1 ASSI { 244} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.400 0.700 0.700 peak 244 spectrum 1 weight 0.11000E+01 volume 0.76067E-02 ppm1 8.967 ppm2 4.855 CV 1 ASSI { 245} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB1 )) 2.700 0.900 0.900 peak 245 spectrum 1 weight 0.11000E+01 volume 0.20940E-02 ppm1 8.972 ppm2 2.800 CV 1 ASSI { 246} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.300 1.300 1.300 peak 246 spectrum 1 weight 0.11000E+01 volume 0.32308E-02 ppm1 8.965 ppm2 2.831 CV 1 ASSI { 247} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.900 1.000 1.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.28283E-02 ppm1 8.968 ppm2 4.430 CV 1 ASSI { 248} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.400 0.700 0.700 peak 248 spectrum 1 weight 0.11000E+01 volume 0.68618E-02 ppm1 8.966 ppm2 2.738 CV 1 ASSI { 250} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HN )) 4.300 2.300 1.700 peak 250 spectrum 1 weight 0.11000E+01 volume 0.33299E-03 ppm1 8.965 ppm2 8.312 CV 1 ASSI { 251} (( segid " " and resid 143 and name HN )) (( segid " " and resid 146 and name HA )) 4.700 2.800 1.300 peak 251 spectrum 1 weight 0.11000E+01 volume 0.66466E-03 ppm1 8.965 ppm2 4.674 CV 1 ASSI { 252} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 6.000 0.000 peak 252 spectrum 1 weight 0.11000E+01 volume 0.15764E-04 ppm1 8.355 ppm2 4.431 CV 1 ASSI { 253} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.11000E+01 volume 0.60825E-02 ppm1 8.361 ppm2 2.720 CV 1 ASSI { 254} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 2.900 1.000 1.000 peak 254 spectrum 1 weight 0.11000E+01 volume 0.18304E-02 ppm1 8.361 ppm2 8.990 CV 1 ASSI { 255} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 255 spectrum 1 weight 0.11000E+01 volume 0.19080E-02 ppm1 8.362 ppm2 4.212 CV 1 ASSI { 256} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.11000E+01 volume 0.44502E-02 ppm1 8.361 ppm2 3.234 CV 1 ASSI { 257} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.11000E+01 volume 0.48019E-02 ppm1 8.361 ppm2 3.038 CV 1 ASSI { 258} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD% ) 5.000 3.100 1.000 peak 258 spectrum 1 weight 0.11000E+01 volume 0.49676E-03 ppm1 8.362 ppm2 7.077 CV 1 ASSI { 259} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HN )) 4.700 2.700 1.300 peak 259 spectrum 1 weight 0.11000E+01 volume 0.21293E-03 ppm1 8.359 ppm2 8.060 CV 1 ASSI { 260} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.200 1.300 1.300 peak 260 spectrum 1 weight 0.11000E+01 volume 0.97102E-03 ppm1 8.314 ppm2 2.797 CV 1 ASSI { 261} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.800 1.800 1.800 peak 261 spectrum 1 weight 0.11000E+01 volume 0.97102E-03 ppm1 8.317 ppm2 2.802 CV 1 ASSI { 262} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 3.800 1.800 1.800 peak 262 spectrum 1 weight 0.11000E+01 volume 0.57013E-03 ppm1 8.312 ppm2 4.195 CV 1 ASSI { 263} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.100 1.200 1.200 peak 263 spectrum 1 weight 0.11000E+01 volume 0.11681E-02 ppm1 8.318 ppm2 3.240 CV 1 ASSI { 264} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.900 1.900 1.900 peak 264 spectrum 1 weight 0.11000E+01 volume 0.14340E-02 ppm1 8.317 ppm2 3.042 CV 1 ASSI { 265} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HD% ) 4.400 2.400 1.600 peak 265 spectrum 1 weight 0.11000E+01 volume 0.60382E-03 ppm1 8.315 ppm2 7.071 CV 1 ASSI { 266} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.300 peak 266 spectrum 1 weight 0.11000E+01 volume 0.11311E-02 ppm1 8.317 ppm2 3.534 CV 1 ASSI { 267} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.500 1.500 1.500 peak 267 spectrum 1 weight 0.11000E+01 volume 0.27520E-02 ppm1 8.318 ppm2 1.863 CV 1 ASSI { 268} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.11000E+01 volume 0.12304E-02 ppm1 8.319 ppm2 1.382 CV 1 ASSI { 269} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) 2.700 0.900 0.900 peak 269 spectrum 1 weight 0.11000E+01 volume 0.16245E-02 ppm1 8.318 ppm2 2.449 CV 1 ASSI { 270} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) 3.500 1.500 1.500 peak 270 spectrum 1 weight 0.11000E+01 volume 0.27520E-02 ppm1 8.318 ppm2 1.863 CV 1 ASSI { 271} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB1 )) 5.000 3.100 1.000 peak 271 spectrum 1 weight 0.11000E+01 volume 0.41402E-03 ppm1 8.317 ppm2 2.964 CV 1 ASSI { 272} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 2.700 0.900 0.900 peak 272 spectrum 1 weight 0.11000E+01 volume 0.18146E-02 ppm1 8.323 ppm2 8.024 CV 1 ASSI { 273} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HN )) 2.900 2.900 3.100 peak 273 spectrum 1 weight 0.11000E+01 volume 0.33874E-02 ppm1 8.322 ppm2 8.112 CV 1 ASSI { 274} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB1 )) 4.600 2.600 1.400 peak 274 spectrum 1 weight 0.11000E+01 volume 0.69251E-03 ppm1 8.311 ppm2 2.748 CV 1 ASSI { 275} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HN )) 3.700 1.700 1.700 peak 275 spectrum 1 weight 0.11000E+01 volume 0.62495E-03 ppm1 8.317 ppm2 8.438 CV 1 ASSI { 276} (( segid " " and resid 146 and name HN )) (( segid " " and resid 140 and name HB2 )) 2.900 1.000 1.000 peak 276 spectrum 1 weight 0.11000E+01 volume 0.32073E-02 ppm1 8.033 ppm2 2.868 CV 1 ASSI { 278} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 4.500 2.500 1.500 peak 278 spectrum 1 weight 0.11000E+01 volume 0.21903E-03 ppm1 8.031 ppm2 3.536 CV 1 ASSI { 279} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.900 1.900 1.900 peak 279 spectrum 1 weight 0.11000E+01 volume 0.17027E-02 ppm1 8.030 ppm2 1.876 CV 1 ASSI { 280} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.500 1.500 1.500 peak 280 spectrum 1 weight 0.11000E+01 volume 0.37894E-03 ppm1 8.033 ppm2 1.387 CV 1 ASSI { 282} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.000 peak 282 spectrum 1 weight 0.11000E+01 volume 0.17336E-02 ppm1 8.033 ppm2 4.685 CV 1 ASSI { 283} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.900 1.100 1.100 peak 283 spectrum 1 weight 0.11000E+01 volume 0.29325E-02 ppm1 8.037 ppm2 2.960 CV 1 ASSI { 285} (( segid " " and resid 147 and name HE )) ( segid " " and resid 144 and name HE% ) 4.300 4.300 1.700 peak 285 spectrum 1 weight 0.11000E+01 volume 0.52527E-03 ppm1 7.196 ppm2 6.683 CV 1 ASSI { 286} (( segid " " and resid 147 and name HE )) (( segid " " and resid 147 and name HD2 )) 3.700 3.700 2.300 peak 286 spectrum 1 weight 0.11000E+01 volume 0.64185E-03 ppm1 7.215 ppm2 3.185 CV 1 ASSI { 287} (( segid " " and resid 147 and name HE )) (( segid " " and resid 147 and name HG1 )) 4.400 4.400 1.600 peak 287 spectrum 1 weight 0.11000E+01 volume 0.31991E-03 ppm1 7.189 ppm2 1.719 CV 1 ASSI { 288} (( segid " " and resid 147 and name HE )) (( segid " " and resid 150 and name HB1 )) 5.700 5.700 0.300 peak 288 spectrum 1 weight 0.11000E+01 volume 0.17242E-03 ppm1 7.216 ppm2 1.953 CV 1 ASSI { 289} (( segid " " and resid 147 and name HE )) (( segid " " and resid 150 and name HD2 )) 3.800 3.800 2.200 peak 289 spectrum 1 weight 0.11000E+01 volume 0.15829E-02 ppm1 7.210 ppm2 3.208 CV 1 ASSI { 290} (( segid " " and resid 147 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.000 2.000 2.000 peak 290 spectrum 1 weight 0.11000E+01 volume 0.13392E-02 ppm1 8.075 ppm2 2.877 CV 1 ASSI { 291} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) 4.000 2.000 2.000 peak 291 spectrum 1 weight 0.11000E+01 volume 0.58862E-03 ppm1 8.077 ppm2 4.233 CV 1 ASSI { 292} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 3.800 1.800 1.800 peak 292 spectrum 1 weight 0.11000E+01 volume 0.50572E-03 ppm1 8.079 ppm2 4.681 CV 1 ASSI { 293} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.900 1.100 1.100 peak 293 spectrum 1 weight 0.11000E+01 volume 0.12920E-02 ppm1 8.078 ppm2 2.938 CV 1 ASSI { 294} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 5.800 4.100 0.200 peak 294 spectrum 1 weight 0.11000E+01 volume 0.87795E-04 ppm1 8.091 ppm2 2.727 CV 1 ASSI { 295} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.11000E+01 volume 0.21276E-02 ppm1 8.074 ppm2 4.005 CV 1 ASSI { 296} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB1 )) 2.300 0.700 0.700 peak 296 spectrum 1 weight 0.11000E+01 volume 0.63892E-02 ppm1 8.076 ppm2 1.910 CV 1 ASSI { 297} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG1 )) 4.500 2.600 1.500 peak 297 spectrum 1 weight 0.11000E+01 volume 0.92421E-03 ppm1 8.077 ppm2 1.737 CV 1 ASSI { 298} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HG2 )) 4.800 2.800 1.200 peak 298 spectrum 1 weight 0.11000E+01 volume 0.57072E-03 ppm1 8.075 ppm2 1.542 CV 1 ASSI { 300} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HD2 )) 5.000 3.100 1.000 peak 300 spectrum 1 weight 0.11000E+01 volume 0.30466E-03 ppm1 8.086 ppm2 3.207 CV 1 ASSI { 301} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HG1 )) 3.800 3.800 2.200 peak 301 spectrum 1 weight 0.11000E+01 volume 0.63892E-02 ppm1 8.076 ppm2 1.907 CV 1 ASSI { 302} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 3.700 1.700 1.700 peak 302 spectrum 1 weight 0.11000E+01 volume 0.55343E-03 ppm1 8.448 ppm2 3.552 CV 1 ASSI { 303} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.600 1.600 1.600 peak 303 spectrum 1 weight 0.11000E+01 volume 0.23068E-02 ppm1 8.442 ppm2 1.896 CV 1 ASSI { 304} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 4.000 2.000 2.000 peak 304 spectrum 1 weight 0.11000E+01 volume 0.41847E-03 ppm1 8.437 ppm2 4.042 CV 1 ASSI { 305} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB1 )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.11000E+01 volume 0.23068E-02 ppm1 8.442 ppm2 1.908 CV 1 ASSI { 306} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HD1 )) 4.100 2.100 1.900 peak 306 spectrum 1 weight 0.11000E+01 volume 0.39159E-03 ppm1 8.441 ppm2 3.226 CV 1 ASSI { 307} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG2 )) 4.300 4.300 1.700 peak 307 spectrum 1 weight 0.11000E+01 volume 0.82049E-03 ppm1 8.434 ppm2 1.493 CV 1 ASSI { 308} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HN )) 2.800 1.000 1.000 peak 308 spectrum 1 weight 0.11000E+01 volume 0.23948E-02 ppm1 8.439 ppm2 8.079 CV 1 ASSI { 309} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 3.000 1.100 1.100 peak 309 spectrum 1 weight 0.11000E+01 volume 0.16268E-02 ppm1 8.444 ppm2 3.847 CV 1 ASSI { 310} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB1 )) 3.300 1.300 1.300 peak 310 spectrum 1 weight 0.11000E+01 volume 0.22662E-02 ppm1 8.443 ppm2 2.746 CV 1 ASSI { 311} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.600 0.800 0.800 peak 311 spectrum 1 weight 0.11000E+01 volume 0.31667E-02 ppm1 8.449 ppm2 2.586 CV 1 ASSI { 312} (( segid " " and resid 148 and name HN )) ( segid " " and resid 148 and name HD% ) 3.500 1.600 1.600 peak 312 spectrum 1 weight 0.11000E+01 volume 0.14074E-02 ppm1 8.435 ppm2 6.870 CV 1 ASSI { 313} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 3.200 1.300 1.300 peak 313 spectrum 1 weight 0.11000E+01 volume 0.10403E-02 ppm1 8.442 ppm2 8.850 CV 1 ASSI { 314} (( segid " " and resid 148 and name HN )) (( segid " " and resid 151 and name HB1 )) 5.000 3.100 1.000 peak 314 spectrum 1 weight 0.11000E+01 volume 0.37148E-03 ppm1 8.444 ppm2 1.989 CV 1 ASSI { 315} (( segid " " and resid 149 and name HN )) (( segid " " and resid 140 and name HZ )) 4.900 3.000 1.100 peak 315 spectrum 1 weight 0.11000E+01 volume 0.88941E-03 ppm1 8.832 ppm2 7.293 CV 1 ASSI { 316} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.300 peak 316 spectrum 1 weight 0.11000E+01 volume 0.14913E-02 ppm1 8.834 ppm2 3.527 CV 1 ASSI { 317} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.000 3.000 3.000 peak 317 spectrum 1 weight 0.11000E+01 volume 0.27055E-02 ppm1 8.827 ppm2 1.902 CV 1 ASSI { 318} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HB2 )) 4.000 2.000 2.000 peak 318 spectrum 1 weight 0.11000E+01 volume 0.93419E-03 ppm1 8.833 ppm2 2.739 CV 1 ASSI { 319} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 3.900 1.900 1.900 peak 319 spectrum 1 weight 0.11000E+01 volume 0.38204E-03 ppm1 8.832 ppm2 3.850 CV 1 ASSI { 320} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.400 1.400 1.400 peak 320 spectrum 1 weight 0.11000E+01 volume 0.87852E-03 ppm1 8.833 ppm2 2.565 CV 1 ASSI { 321} (( segid " " and resid 149 and name HN )) ( segid " " and resid 148 and name HD% ) 3.500 1.600 1.600 peak 321 spectrum 1 weight 0.11000E+01 volume 0.11535E-02 ppm1 8.833 ppm2 6.862 CV 1 ASSI { 322} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.900 1.100 1.100 peak 322 spectrum 1 weight 0.11000E+01 volume 0.10966E-02 ppm1 8.831 ppm2 4.266 CV 1 ASSI { 323} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB1 )) 2.200 0.600 0.600 peak 323 spectrum 1 weight 0.11000E+01 volume 0.44489E-02 ppm1 8.830 ppm2 3.221 CV 1 ASSI { 325} (( segid " " and resid 149 and name HN )) ( segid " " and resid 204 and name HD1%) 3.200 1.300 1.300 peak 325 spectrum 1 weight 0.11000E+01 volume 0.14722E-02 ppm1 8.827 ppm2 0.675 CV 1 ASSI { 326} (( segid " " and resid 149 and name HN )) (( segid " " and resid 204 and name HG11)) 5.000 5.000 1.000 peak 326 spectrum 1 weight 0.11000E+01 volume 0.37282E-03 ppm1 8.796 ppm2 1.602 CV 1 ASSI { 327} (( segid " " and resid 149 and name HN )) ( segid " " and resid 204 and name HG2%) 6.000 5.000 0.000 peak 327 spectrum 1 weight 0.11000E+01 volume 0.17060E-04 ppm1 8.822 ppm2 0.799 CV 1 ASSI { 328} (( segid " " and resid 149 and name HN )) (( segid " " and resid 204 and name HN )) 4.400 4.400 1.600 peak 328 spectrum 1 weight 0.11000E+01 volume 0.14458E-02 ppm1 8.826 ppm2 7.985 CV 1 ASSI { 330} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HD1 )) 2.500 0.800 0.800 peak 330 spectrum 1 weight 0.11000E+01 volume 0.54445E-02 ppm1 7.442 ppm2 3.240 CV 1 ASSI { 331} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HG1 )) 3.000 1.100 1.100 peak 331 spectrum 1 weight 0.11000E+01 volume 0.12356E-02 ppm1 7.442 ppm2 1.917 CV 1 ASSI { 332} (( segid " " and resid 150 and name HE )) (( segid " " and resid 150 and name HN )) 4.600 2.600 1.400 peak 332 spectrum 1 weight 0.11000E+01 volume 0.17567E-02 ppm1 7.444 ppm2 7.639 CV 1 ASSI { 333} (( segid " " and resid 150 and name HE )) (( segid " " and resid 153 and name HB1 )) 4.500 2.600 1.500 peak 333 spectrum 1 weight 0.11000E+01 volume 0.54132E-03 ppm1 7.444 ppm2 1.723 CV 1 ASSI { 334} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HA )) 3.600 1.600 1.600 peak 334 spectrum 1 weight 0.11000E+01 volume 0.70019E-03 ppm1 7.649 ppm2 3.999 CV 1 ASSI { 335} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.11000E+01 volume 0.29338E-02 ppm1 7.645 ppm2 4.288 CV 1 ASSI { 336} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) 3.100 1.200 1.200 peak 336 spectrum 1 weight 0.11000E+01 volume 0.11645E-02 ppm1 7.645 ppm2 8.848 CV 1 ASSI { 337} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.900 1.000 1.000 peak 337 spectrum 1 weight 0.11000E+01 volume 0.26101E-02 ppm1 7.642 ppm2 3.677 CV 1 ASSI { 338} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.100 0.600 0.600 peak 338 spectrum 1 weight 0.11000E+01 volume 0.78011E-02 ppm1 7.642 ppm2 1.925 CV 1 ASSI { 339} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD1 )) 4.200 2.200 1.800 peak 339 spectrum 1 weight 0.11000E+01 volume 0.20770E-02 ppm1 7.649 ppm2 3.260 CV 1 ASSI { 340} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD2 )) 3.700 1.700 1.700 peak 340 spectrum 1 weight 0.11000E+01 volume 0.25281E-02 ppm1 7.645 ppm2 3.219 CV 1 ASSI { 341} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB1 )) 3.300 3.300 2.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.39100E-02 ppm1 7.644 ppm2 1.979 CV 1 ASSI { 342} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HG1 )) 4.400 2.500 1.600 peak 342 spectrum 1 weight 0.11000E+01 volume 0.58840E-03 ppm1 7.646 ppm2 2.194 CV 1 ASSI { 343} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 2.700 0.900 0.900 peak 343 spectrum 1 weight 0.11000E+01 volume 0.18329E-02 ppm1 7.647 ppm2 7.966 CV 1 ASSI { 344} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HA )) 4.200 2.200 1.800 peak 344 spectrum 1 weight 0.11000E+01 volume 0.40469E-03 ppm1 7.951 ppm2 3.844 CV 1 ASSI { 345} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.600 2.600 3.400 peak 345 spectrum 1 weight 0.11000E+01 volume 0.69082E-02 ppm1 7.953 ppm2 1.954 CV 1 ASSI { 346} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG1 )) 2.100 2.100 3.900 peak 346 spectrum 1 weight 0.11000E+01 volume 0.69082E-02 ppm1 7.954 ppm2 1.917 CV 1 ASSI { 347} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 2.800 1.000 1.000 peak 347 spectrum 1 weight 0.11000E+01 volume 0.23346E-02 ppm1 7.951 ppm2 4.104 CV 1 ASSI { 348} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.400 1.500 1.500 peak 348 spectrum 1 weight 0.11000E+01 volume 0.16269E-02 ppm1 7.952 ppm2 2.245 CV 1 ASSI { 349} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.000 1.200 1.200 peak 349 spectrum 1 weight 0.11000E+01 volume 0.11054E-02 ppm1 7.965 ppm2 2.212 CV 1 ASSI { 350} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG2 )) 2.600 0.900 0.900 peak 350 spectrum 1 weight 0.11000E+01 volume 0.25587E-02 ppm1 7.952 ppm2 2.439 CV 1 ASSI { 351} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HB2 )) 5.500 3.700 0.500 peak 351 spectrum 1 weight 0.11000E+01 volume 0.57614E-03 ppm1 7.966 ppm2 2.289 CV 1 ASSI { 353} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HA )) 4.900 4.900 1.100 peak 353 spectrum 1 weight 0.11000E+01 volume 0.58198E-03 ppm1 7.954 ppm2 3.700 CV 1 ASSI { 354} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.200 3.200 2.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.79064E-02 ppm1 7.953 ppm2 1.880 CV 1 ASSI { 355} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HN )) 3.500 1.500 1.500 peak 355 spectrum 1 weight 0.11000E+01 volume 0.11917E-02 ppm1 7.951 ppm2 7.520 CV 1 ASSI { 356} (( segid " " and resid 151 and name HN )) (( segid " " and resid 155 and name HD2 )) 6.000 6.000 0.000 peak 356 spectrum 1 weight 0.11000E+01 volume 0.88730E-04 ppm1 7.967 ppm2 3.226 CV 1 ASSI { 357} (( segid " " and resid 151 and name HN )) (( segid " " and resid 155 and name HN )) 3.800 3.800 2.200 peak 357 spectrum 1 weight 0.11000E+01 volume 0.27917E-02 ppm1 7.953 ppm2 7.600 CV 1 ASSI { 358} (( segid " " and resid 152 and name HD21)) (( segid " " and resid 148 and name HA )) 5.300 3.500 0.700 peak 358 spectrum 1 weight 0.11000E+01 volume 0.25064E-03 ppm1 6.765 ppm2 3.850 CV 1 ASSI { 359} (( segid " " and resid 152 and name HD21)) (( segid " " and resid 152 and name HB2 )) 4.300 2.300 1.700 peak 359 spectrum 1 weight 0.11000E+01 volume 0.39417E-03 ppm1 6.763 ppm2 2.277 CV 1 ASSI { 361} (( segid " " and resid 152 and name HD21)) (( segid " " and resid 153 and name HB2 )) 4.100 2.100 1.900 peak 361 spectrum 1 weight 0.11000E+01 volume 0.31956E-03 ppm1 6.757 ppm2 1.884 CV 1 ASSI { 362} (( segid " " and resid 152 and name HD22)) (( segid " " and resid 152 and name HB2 )) 4.700 2.700 1.300 peak 362 spectrum 1 weight 0.11000E+01 volume 0.49687E-03 ppm1 6.554 ppm2 2.291 CV 1 ASSI { 363} (( segid " " and resid 152 and name HD22)) (( segid " " and resid 152 and name HD21)) 2.500 0.800 0.800 peak 363 spectrum 1 weight 0.11000E+01 volume 0.91651E-03 ppm1 6.532 ppm2 6.751 CV 1 ASSI { 364} (( segid " " and resid 152 and name HD22)) (( segid " " and resid 153 and name HB2 )) 4.000 2.000 2.000 peak 364 spectrum 1 weight 0.11000E+01 volume 0.33941E-03 ppm1 6.551 ppm2 1.877 CV 1 ASSI { 365} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HA )) 4.300 2.300 1.700 peak 365 spectrum 1 weight 0.11000E+01 volume 0.21003E-03 ppm1 7.552 ppm2 4.275 CV 1 ASSI { 366} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HB1 )) 5.000 5.000 1.000 peak 366 spectrum 1 weight 0.11000E+01 volume 0.36408E-03 ppm1 7.602 ppm2 3.232 CV 1 ASSI { 367} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.600 2.600 1.400 peak 367 spectrum 1 weight 0.11000E+01 volume 0.29914E-03 ppm1 7.550 ppm2 3.692 CV 1 ASSI { 368} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HB2 )) 5.400 3.600 0.600 peak 368 spectrum 1 weight 0.11000E+01 volume 0.32939E-03 ppm1 7.564 ppm2 2.171 CV 1 ASSI { 369} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 4.000 2.000 2.000 peak 369 spectrum 1 weight 0.11000E+01 volume 0.50353E-03 ppm1 7.558 ppm2 4.102 CV 1 ASSI { 370} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB1 )) 5.800 4.200 0.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.11352E-03 ppm1 7.573 ppm2 1.994 CV 1 ASSI { 371} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HN )) 2.300 0.600 0.600 peak 371 spectrum 1 weight 0.11000E+01 volume 0.22560E-02 ppm1 7.558 ppm2 7.970 CV 1 ASSI { 372} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.11000E+01 volume 0.14584E-02 ppm1 7.558 ppm2 4.628 CV 1 ASSI { 373} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB1 )) 2.700 0.900 0.900 peak 373 spectrum 1 weight 0.11000E+01 volume 0.74156E-03 ppm1 7.541 ppm2 2.349 CV 1 ASSI { 374} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB2 )) 3.200 1.200 1.200 peak 374 spectrum 1 weight 0.11000E+01 volume 0.23669E-02 ppm1 7.559 ppm2 2.281 CV 1 ASSI { 375} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD21)) 3.500 1.500 1.500 peak 375 spectrum 1 weight 0.11000E+01 volume 0.10033E-02 ppm1 7.555 ppm2 6.782 CV 1 ASSI { 376} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD22)) 5.100 3.300 0.900 peak 376 spectrum 1 weight 0.11000E+01 volume 0.48439E-03 ppm1 7.558 ppm2 6.566 CV 1 ASSI { 377} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HA )) 4.700 2.700 1.300 peak 377 spectrum 1 weight 0.11000E+01 volume 0.38297E-03 ppm1 7.563 ppm2 3.691 CV 1 ASSI { 378} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.800 1.800 1.800 peak 378 spectrum 1 weight 0.11000E+01 volume 0.21853E-02 ppm1 7.558 ppm2 1.900 CV 1 ASSI { 379} (( segid " " and resid 153 and name HN )) (( segid " " and resid 135 and name HG2 )) 4.700 2.800 1.300 peak 379 spectrum 1 weight 0.11000E+01 volume 0.71536E-03 ppm1 7.510 ppm2 1.812 CV 1 ASSI { 380} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HG2 )) 2.100 2.100 3.900 peak 380 spectrum 1 weight 0.11000E+01 volume 0.20746E-02 ppm1 7.505 ppm2 1.682 CV 1 ASSI { 381} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HB2 )) 4.700 2.800 1.300 peak 381 spectrum 1 weight 0.11000E+01 volume 0.30613E-03 ppm1 7.522 ppm2 2.234 CV 1 ASSI { 382} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.11000E+01 volume 0.76521E-03 ppm1 7.506 ppm2 4.630 CV 1 ASSI { 383} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB1 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.11000E+01 volume 0.35401E-03 ppm1 7.503 ppm2 2.343 CV 1 ASSI { 384} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 4.300 2.300 1.700 peak 384 spectrum 1 weight 0.11000E+01 volume 0.48214E-03 ppm1 7.492 ppm2 2.252 CV 1 ASSI { 385} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HA )) 2.900 1.100 1.100 peak 385 spectrum 1 weight 0.11000E+01 volume 0.23985E-02 ppm1 7.506 ppm2 3.690 CV 1 ASSI { 386} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.500 1.600 1.600 peak 386 spectrum 1 weight 0.11000E+01 volume 0.17725E-02 ppm1 7.506 ppm2 1.885 CV 1 ASSI { 387} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HG2 )) 3.500 1.500 1.500 peak 387 spectrum 1 weight 0.11000E+01 volume 0.17507E-02 ppm1 7.505 ppm2 2.126 CV 1 ASSI { 388} (( segid " " and resid 153 and name HN )) (( segid " " and resid 156 and name HN )) 5.600 3.900 0.400 peak 388 spectrum 1 weight 0.11000E+01 volume 0.90876E-04 ppm1 7.501 ppm2 7.340 CV 1 ASSI { 389} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HA )) 4.300 2.300 1.700 peak 389 spectrum 1 weight 0.11000E+01 volume 0.31635E-03 ppm1 7.626 ppm2 4.626 CV 1 ASSI { 390} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 4.000 2.000 2.000 peak 390 spectrum 1 weight 0.11000E+01 volume 0.38996E-03 ppm1 7.630 ppm2 3.707 CV 1 ASSI { 391} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB1 )) 4.300 2.300 1.700 peak 391 spectrum 1 weight 0.11000E+01 volume 0.33822E-03 ppm1 7.631 ppm2 1.692 CV 1 ASSI { 392} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 4.200 2.200 1.800 peak 392 spectrum 1 weight 0.11000E+01 volume 0.10834E-02 ppm1 7.634 ppm2 1.882 CV 1 ASSI { 393} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HE% ) 4.200 2.200 1.800 peak 393 spectrum 1 weight 0.11000E+01 volume 0.56978E-03 ppm1 7.635 ppm2 1.824 CV 1 ASSI { 394} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HG2 )) 3.800 1.800 1.800 peak 394 spectrum 1 weight 0.11000E+01 volume 0.50212E-03 ppm1 7.630 ppm2 2.140 CV 1 ASSI { 395} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HN )) 3.400 1.500 1.500 peak 395 spectrum 1 weight 0.11000E+01 volume 0.48324E-03 ppm1 7.633 ppm2 7.502 CV 1 ASSI { 396} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 3.000 1.100 1.100 peak 396 spectrum 1 weight 0.11000E+01 volume 0.21605E-02 ppm1 7.633 ppm2 4.216 CV 1 ASSI { 397} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.300 3.300 2.700 peak 397 spectrum 1 weight 0.11000E+01 volume 0.26105E-02 ppm1 7.633 ppm2 2.996 CV 1 ASSI { 398} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB2 )) 2.700 0.900 0.900 peak 398 spectrum 1 weight 0.11000E+01 volume 0.24183E-02 ppm1 7.634 ppm2 2.972 CV 1 ASSI { 399} (( segid " " and resid 154 and name HN )) ( segid " " and resid 154 and name HD% ) 3.500 1.600 1.600 peak 399 spectrum 1 weight 0.11000E+01 volume 0.15059E-02 ppm1 7.612 ppm2 7.082 CV 1 ASSI { 400} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HD1 )) 3.500 1.600 1.600 peak 400 spectrum 1 weight 0.11000E+01 volume 0.25945E-02 ppm1 7.630 ppm2 3.084 CV 1 ASSI { 401} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HE )) 4.500 2.500 1.500 peak 401 spectrum 1 weight 0.11000E+01 volume 0.46576E-03 ppm1 7.641 ppm2 6.884 CV 1 ASSI { 403} (( segid " " and resid 155 and name HE )) (( segid " " and resid 152 and name HD21)) 4.500 2.600 1.500 peak 403 spectrum 1 weight 0.11000E+01 volume 0.69637E-03 ppm1 6.882 ppm2 6.737 CV 1 ASSI { 404} (( segid " " and resid 155 and name HE )) ( segid " " and resid 153 and name HE% ) 2.300 2.300 3.700 peak 404 spectrum 1 weight 0.11000E+01 volume 0.13501E-02 ppm1 6.881 ppm2 1.843 CV 1 ASSI { 405} (( segid " " and resid 155 and name HE )) (( segid " " and resid 155 and name HD1 )) 2.800 1.000 1.000 peak 405 spectrum 1 weight 0.11000E+01 volume 0.15448E-02 ppm1 6.881 ppm2 3.100 CV 1 ASSI { 407} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HA )) 5.100 3.300 0.900 peak 407 spectrum 1 weight 0.11000E+01 volume 0.17374E-03 ppm1 7.612 ppm2 3.693 CV 1 ASSI { 408} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 4.000 2.000 2.000 peak 408 spectrum 1 weight 0.11000E+01 volume 0.43155E-03 ppm1 7.602 ppm2 4.221 CV 1 ASSI { 409} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.200 1.300 1.300 peak 409 spectrum 1 weight 0.11000E+01 volume 0.10200E-02 ppm1 7.602 ppm2 3.040 CV 1 ASSI { 410} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HB2 )) 5.600 3.900 0.400 peak 410 spectrum 1 weight 0.11000E+01 volume 0.34627E-04 ppm1 7.611 ppm2 2.956 CV 1 ASSI { 411} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.11000E+01 volume 0.15151E-02 ppm1 7.604 ppm2 4.064 CV 1 ASSI { 412} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB1 )) 3.000 1.100 1.100 peak 412 spectrum 1 weight 0.11000E+01 volume 0.14415E-02 ppm1 7.606 ppm2 1.811 CV 1 ASSI { 413} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD1 )) 3.900 3.900 2.100 peak 413 spectrum 1 weight 0.11000E+01 volume 0.79953E-03 ppm1 7.611 ppm2 3.149 CV 1 ASSI { 414} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG1 )) 3.400 3.400 2.600 peak 414 spectrum 1 weight 0.11000E+01 volume 0.29455E-02 ppm1 7.605 ppm2 1.238 CV 1 ASSI { 415} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HB1 )) 6.000 4.500 0.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.26465E-03 ppm1 7.598 ppm2 3.191 CV 1 ASSI { 416} (( segid " " and resid 155 and name HN )) ( segid " " and resid 156 and name HD% ) 5.200 5.200 0.800 peak 416 spectrum 1 weight 0.11000E+01 volume 0.45105E-03 ppm1 7.605 ppm2 7.077 CV 1 ASSI { 417} (( segid " " and resid 155 and name HN )) ( segid " " and resid 156 and name HE% ) 4.700 4.700 1.300 peak 417 spectrum 1 weight 0.11000E+01 volume 0.81261E-03 ppm1 7.604 ppm2 7.811 CV 1 ASSI { 418} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HN )) 2.700 0.900 0.900 peak 418 spectrum 1 weight 0.11000E+01 volume 0.30680E-02 ppm1 7.604 ppm2 7.342 CV 1 ASSI { 419} (( segid " " and resid 156 and name HN )) (( segid " " and resid 153 and name HA )) 3.900 1.900 1.900 peak 419 spectrum 1 weight 0.11000E+01 volume 0.37688E-03 ppm1 7.331 ppm2 3.689 CV 1 ASSI { 420} (( segid " " and resid 156 and name HN )) ( segid " " and resid 153 and name HE% ) 2.700 2.700 3.300 peak 420 spectrum 1 weight 0.11000E+01 volume 0.51570E-03 ppm1 7.331 ppm2 1.822 CV 1 ASSI { 421} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HA )) 4.900 3.000 1.100 peak 421 spectrum 1 weight 0.11000E+01 volume 0.27674E-03 ppm1 7.327 ppm2 4.237 CV 1 ASSI { 422} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.800 1.800 1.800 peak 422 spectrum 1 weight 0.11000E+01 volume 0.27632E-02 ppm1 7.330 ppm2 3.029 CV 1 ASSI { 423} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HN )) 3.100 1.200 1.200 peak 423 spectrum 1 weight 0.11000E+01 volume 0.33939E-02 ppm1 7.331 ppm2 7.627 CV 1 ASSI { 424} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 3.800 1.800 1.800 peak 424 spectrum 1 weight 0.11000E+01 volume 0.72529E-03 ppm1 7.329 ppm2 4.055 CV 1 ASSI { 425} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HD2 )) 3.900 1.900 1.900 peak 425 spectrum 1 weight 0.11000E+01 volume 0.20879E-02 ppm1 7.330 ppm2 3.212 CV 1 ASSI { 426} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HE )) 5.100 3.300 0.900 peak 426 spectrum 1 weight 0.11000E+01 volume 0.38373E-03 ppm1 7.330 ppm2 6.896 CV 1 ASSI { 427} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HG1 )) 2.900 2.900 3.100 peak 427 spectrum 1 weight 0.11000E+01 volume 0.75345E-03 ppm1 7.333 ppm2 1.234 CV 1 ASSI { 428} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 3.000 3.000 3.000 peak 428 spectrum 1 weight 0.11000E+01 volume 0.11007E-02 ppm1 7.331 ppm2 4.947 CV 1 ASSI { 429} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 3.400 1.400 1.400 peak 429 spectrum 1 weight 0.11000E+01 volume 0.13411E-02 ppm1 7.344 ppm2 3.173 CV 1 ASSI { 430} (( segid " " and resid 156 and name HN )) ( segid " " and resid 156 and name HD% ) 3.200 1.200 1.200 peak 430 spectrum 1 weight 0.11000E+01 volume 0.13406E-02 ppm1 7.331 ppm2 7.045 CV 1 ASSI { 432} (( segid " " and resid 158 and name HN )) (( segid " " and resid 132 and name HA )) 3.600 1.600 1.600 peak 432 spectrum 1 weight 0.11000E+01 volume 0.19581E-02 ppm1 8.500 ppm2 4.378 CV 1 ASSI { 433} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB1 )) 4.400 2.500 1.600 peak 433 spectrum 1 weight 0.11000E+01 volume 0.91585E-03 ppm1 8.501 ppm2 2.325 CV 1 ASSI { 434} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG1 )) 4.800 2.900 1.200 peak 434 spectrum 1 weight 0.11000E+01 volume 0.87483E-03 ppm1 8.495 ppm2 1.772 CV 1 ASSI { 435} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 3.200 1.300 1.300 peak 435 spectrum 1 weight 0.11000E+01 volume 0.85181E-03 ppm1 8.494 ppm2 4.754 CV 1 ASSI { 436} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB1 )) 3.800 1.800 1.800 peak 436 spectrum 1 weight 0.11000E+01 volume 0.51459E-03 ppm1 8.512 ppm2 2.427 CV 1 ASSI { 437} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 4.100 2.100 1.900 peak 437 spectrum 1 weight 0.11000E+01 volume 0.24415E-03 ppm1 8.485 ppm2 3.665 CV 1 ASSI { 438} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HA )) 5.700 4.100 0.300 peak 438 spectrum 1 weight 0.11000E+01 volume 0.11564E-03 ppm1 8.491 ppm2 4.585 CV 1 ASSI { 439} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HG2 )) 3.200 1.300 1.300 peak 439 spectrum 1 weight 0.11000E+01 volume 0.20115E-02 ppm1 8.489 ppm2 2.389 CV 1 OR { 439} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HG1 )) ASSI { 440} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HN )) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.11000E+01 volume 0.46034E-02 ppm1 8.492 ppm2 7.209 CV 1 ASSI { 441} (( segid " " and resid 159 and name HN )) ( segid " " and resid 133 and name HE% ) 3.500 1.600 1.600 peak 441 spectrum 1 weight 0.11000E+01 volume 0.10190E-02 ppm1 7.200 ppm2 1.884 CV 1 ASSI { 442} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HA )) 4.100 2.100 1.900 peak 442 spectrum 1 weight 0.11000E+01 volume 0.16673E-02 ppm1 7.196 ppm2 4.417 CV 1 ASSI { 443} (( segid " " and resid 159 and name HN )) (( segid " " and resid 157 and name HG1 )) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.11000E+01 volume 0.15584E-02 ppm1 7.197 ppm2 1.726 CV 1 ASSI { 444} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) 3.400 1.400 1.400 peak 444 spectrum 1 weight 0.11000E+01 volume 0.67485E-03 ppm1 7.195 ppm2 4.749 CV 1 ASSI { 445} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB1 )) 5.900 4.300 0.100 peak 445 spectrum 1 weight 0.11000E+01 volume 0.99769E-04 ppm1 7.212 ppm2 2.460 CV 1 ASSI { 447} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 3.000 1.100 1.100 peak 447 spectrum 1 weight 0.11000E+01 volume 0.14892E-02 ppm1 7.196 ppm2 4.602 CV 1 ASSI { 448} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 4.100 2.100 1.900 peak 448 spectrum 1 weight 0.11000E+01 volume 0.53850E-03 ppm1 7.201 ppm2 2.127 CV 1 ASSI { 449} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG2 )) 3.000 1.100 1.100 peak 449 spectrum 1 weight 0.11000E+01 volume 0.15994E-02 ppm1 7.197 ppm2 2.377 CV 1 OR { 449} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HG1 )) ASSI { 450} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HN )) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.11000E+01 volume 0.26747E-02 ppm1 7.198 ppm2 8.517 CV 1 ASSI { 451} (( segid " " and resid 160 and name HN )) (( segid " " and resid 129 and name HA )) 3.500 1.500 1.500 peak 451 spectrum 1 weight 0.11000E+01 volume 0.14835E-02 ppm1 8.510 ppm2 4.530 CV 1 ASSI { 452} (( segid " " and resid 160 and name HN )) (( segid " " and resid 129 and name HB1 )) 4.400 2.400 1.600 peak 452 spectrum 1 weight 0.11000E+01 volume 0.57694E-03 ppm1 8.509 ppm2 1.668 CV 1 ASSI { 453} (( segid " " and resid 160 and name HN )) (( segid " " and resid 130 and name HA1 )) 4.200 2.200 1.800 peak 453 spectrum 1 weight 0.11000E+01 volume 0.22797E-03 ppm1 8.516 ppm2 4.422 CV 1 ASSI { 454} (( segid " " and resid 160 and name HN )) (( segid " " and resid 130 and name HN )) 4.600 2.600 1.400 peak 454 spectrum 1 weight 0.11000E+01 volume 0.14727E-03 ppm1 8.509 ppm2 9.366 CV 1 ASSI { 455} (( segid " " and resid 160 and name HN )) (( segid " " and resid 131 and name HN )) 4.600 2.700 1.400 peak 455 spectrum 1 weight 0.11000E+01 volume 0.27674E-03 ppm1 8.509 ppm2 8.330 CV 1 ASSI { 456} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) 2.600 0.800 0.800 peak 456 spectrum 1 weight 0.11000E+01 volume 0.31748E-02 ppm1 8.511 ppm2 4.601 CV 1 ASSI { 457} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.100 1.200 1.200 peak 457 spectrum 1 weight 0.11000E+01 volume 0.72132E-03 ppm1 8.506 ppm2 2.159 CV 1 ASSI { 459} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 3.100 1.200 1.200 peak 459 spectrum 1 weight 0.11000E+01 volume 0.60731E-03 ppm1 8.508 ppm2 4.909 CV 1 ASSI { 460} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG1%) 3.600 1.700 1.700 peak 460 spectrum 1 weight 0.11000E+01 volume 0.13914E-02 ppm1 8.509 ppm2 0.950 CV 1 ASSI { 461} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG2%) 2.600 0.900 0.900 peak 461 spectrum 1 weight 0.11000E+01 volume 0.21068E-02 ppm1 8.511 ppm2 0.748 CV 1 ASSI { 462} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HB1 )) 5.200 5.200 0.800 peak 462 spectrum 1 weight 0.11000E+01 volume 0.30208E-03 ppm1 8.507 ppm2 2.604 CV 1 ASSI { 463} (( segid " " and resid 161 and name HN )) (( segid " " and resid 129 and name HA )) 5.200 3.400 0.800 peak 463 spectrum 1 weight 0.11000E+01 volume 0.21488E-03 ppm1 8.419 ppm2 4.514 CV 1 ASSI { 464} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HA )) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.11000E+01 volume 0.18425E-02 ppm1 8.423 ppm2 4.902 CV 1 ASSI { 465} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB )) 2.400 0.700 0.700 peak 465 spectrum 1 weight 0.11000E+01 volume 0.36636E-02 ppm1 8.425 ppm2 2.622 CV 1 ASSI { 466} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG1%) 4.100 2.100 1.900 peak 466 spectrum 1 weight 0.11000E+01 volume 0.66194E-03 ppm1 8.421 ppm2 0.958 CV 1 ASSI { 467} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG2%) 5.100 3.200 0.900 peak 467 spectrum 1 weight 0.11000E+01 volume 0.29795E-03 ppm1 8.417 ppm2 0.750 CV 1 ASSI { 468} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 4.000 2.000 2.000 peak 468 spectrum 1 weight 0.11000E+01 volume 0.22647E-03 ppm1 8.418 ppm2 5.575 CV 1 ASSI { 469} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB2 )) 2.200 2.200 3.800 peak 469 spectrum 1 weight 0.11000E+01 volume 0.51258E-02 ppm1 8.433 ppm2 2.588 CV 1 ASSI { 470} (( segid " " and resid 161 and name HN )) ( segid " " and resid 161 and name HE% ) 4.600 2.700 1.400 peak 470 spectrum 1 weight 0.11000E+01 volume 0.68355E-03 ppm1 8.424 ppm2 6.338 CV 1 ASSI { 471} (( segid " " and resid 161 and name HN )) (( segid " " and resid 181 and name HG12)) 3.900 3.900 2.100 peak 471 spectrum 1 weight 0.11000E+01 volume 0.66194E-03 ppm1 8.425 ppm2 0.957 CV 1 ASSI { 472} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HA )) 5.500 3.800 0.500 peak 472 spectrum 1 weight 0.11000E+01 volume 0.12405E-03 ppm1 8.425 ppm2 4.081 CV 1 ASSI { 473} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HG1 )) 3.000 1.100 1.100 peak 473 spectrum 1 weight 0.11000E+01 volume 0.95434E-03 ppm1 8.426 ppm2 1.510 CV 1 ASSI { 474} (( segid " " and resid 161 and name HN )) (( segid " " and resid 182 and name HN )) 3.200 1.300 1.300 peak 474 spectrum 1 weight 0.11000E+01 volume 0.13732E-02 ppm1 8.425 ppm2 8.096 CV 1 ASSI { 475} (( segid " " and resid 162 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.200 1.300 1.300 peak 475 spectrum 1 weight 0.11000E+01 volume 0.64344E-03 ppm1 8.574 ppm2 2.880 CV 1 ASSI { 476} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HA )) 3.900 1.900 1.900 peak 476 spectrum 1 weight 0.11000E+01 volume 0.80424E-03 ppm1 8.578 ppm2 4.504 CV 1 ASSI { 477} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.800 4.800 1.200 peak 477 spectrum 1 weight 0.11000E+01 volume 0.41428E-03 ppm1 8.576 ppm2 1.071 CV 1 ASSI { 478} (( segid " " and resid 162 and name HN )) (( segid " " and resid 128 and name HN )) 3.100 1.200 1.200 peak 478 spectrum 1 weight 0.11000E+01 volume 0.11575E-02 ppm1 8.582 ppm2 9.114 CV 1 ASSI { 479} (( segid " " and resid 162 and name HN )) (( segid " " and resid 129 and name HA )) 4.300 2.300 1.700 peak 479 spectrum 1 weight 0.11000E+01 volume 0.32219E-03 ppm1 8.590 ppm2 4.522 CV 1 ASSI { 480} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) 2.500 0.800 0.800 peak 480 spectrum 1 weight 0.11000E+01 volume 0.33859E-02 ppm1 8.581 ppm2 5.577 CV 1 ASSI { 481} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB1 )) 3.800 1.800 1.800 peak 481 spectrum 1 weight 0.11000E+01 volume 0.95759E-03 ppm1 8.581 ppm2 2.595 CV 1 ASSI { 483} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 3.400 1.400 1.400 peak 483 spectrum 1 weight 0.11000E+01 volume 0.67439E-03 ppm1 8.602 ppm2 4.854 CV 1 ASSI { 484} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB1 )) 3.400 1.400 1.400 peak 484 spectrum 1 weight 0.11000E+01 volume 0.69936E-03 ppm1 8.587 ppm2 2.910 CV 1 ASSI { 485} (( segid " " and resid 162 and name HN )) ( segid " " and resid 162 and name HD% ) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.11000E+01 volume 0.14185E-02 ppm1 8.580 ppm2 7.193 CV 1 ASSI { 486} (( segid " " and resid 162 and name HN )) (( segid " " and resid 181 and name HG12)) 6.000 6.000 0.000 peak 486 spectrum 1 weight 0.11000E+01 volume 0.42081E-04 ppm1 8.587 ppm2 0.984 CV 1 ASSI { 488} (( segid " " and resid 163 and name HN )) (( segid " " and resid 128 and name HB2 )) 6.000 4.800 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.20657E-03 ppm1 7.931 ppm2 1.062 CV 1 ASSI { 489} (( segid " " and resid 163 and name HN )) (( segid " " and resid 127 and name HB2 )) 5.600 3.900 0.400 peak 489 spectrum 1 weight 0.11000E+01 volume 0.35267E-03 ppm1 7.924 ppm2 2.954 CV 1 ASSI { 490} (( segid " " and resid 163 and name HN )) (( segid " " and resid 128 and name HG2 )) 4.300 4.300 1.700 peak 490 spectrum 1 weight 0.11000E+01 volume 0.63229E-03 ppm1 7.931 ppm2 1.884 CV 1 ASSI { 491} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) 2.800 1.000 1.000 peak 491 spectrum 1 weight 0.11000E+01 volume 0.20979E-02 ppm1 7.934 ppm2 4.863 CV 1 ASSI { 492} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB1 )) 4.300 2.300 1.700 peak 492 spectrum 1 weight 0.11000E+01 volume 0.11542E-02 ppm1 7.930 ppm2 2.890 CV 1 ASSI { 493} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.200 1.300 1.300 peak 493 spectrum 1 weight 0.11000E+01 volume 0.74468E-03 ppm1 7.930 ppm2 2.739 CV 1 ASSI { 494} (( segid " " and resid 163 and name HN )) ( segid " " and resid 162 and name HD% ) 3.700 1.700 1.700 peak 494 spectrum 1 weight 0.11000E+01 volume 0.55853E-03 ppm1 7.933 ppm2 7.188 CV 1 ASSI { 496} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA )) 3.400 1.500 1.500 peak 496 spectrum 1 weight 0.11000E+01 volume 0.49758E-03 ppm1 7.928 ppm2 4.652 CV 1 ASSI { 497} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HG1 )) 4.000 4.000 2.000 peak 497 spectrum 1 weight 0.11000E+01 volume 0.47611E-03 ppm1 7.934 ppm2 1.647 CV 1 ASSI { 498} (( segid " " and resid 163 and name HN )) (( segid " " and resid 178 and name HA )) 4.900 3.000 1.100 peak 498 spectrum 1 weight 0.11000E+01 volume 0.57820E-03 ppm1 7.934 ppm2 4.664 CV 1 ASSI { 499} (( segid " " and resid 163 and name HN )) (( segid " " and resid 178 and name HB2 )) 5.100 3.200 0.900 peak 499 spectrum 1 weight 0.11000E+01 volume 0.13072E-02 ppm1 7.942 ppm2 3.186 CV 1 ASSI { 500} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HA )) 2.200 0.600 0.600 peak 500 spectrum 1 weight 0.11000E+01 volume 0.63880E-02 ppm1 8.588 ppm2 4.588 CV 1 ASSI { 501} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB1 )) 4.400 2.400 1.600 peak 501 spectrum 1 weight 0.11000E+01 volume 0.10684E-02 ppm1 8.593 ppm2 2.010 CV 1 ASSI { 502} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB2 )) 3.800 1.800 1.800 peak 502 spectrum 1 weight 0.11000E+01 volume 0.13076E-02 ppm1 8.589 ppm2 2.488 CV 1 ASSI { 503} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HG2 )) 3.700 1.700 1.700 peak 503 spectrum 1 weight 0.11000E+01 volume 0.32789E-02 ppm1 8.588 ppm2 2.101 CV 1 OR { 503} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HG1 )) ASSI { 504} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HA )) 3.100 1.200 1.200 peak 504 spectrum 1 weight 0.11000E+01 volume 0.12447E-02 ppm1 8.588 ppm2 4.309 CV 1 ASSI { 505} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HB )) 2.700 0.900 0.900 peak 505 spectrum 1 weight 0.11000E+01 volume 0.32789E-02 ppm1 8.588 ppm2 2.101 CV 1 ASSI { 506} (( segid " " and resid 165 and name HN )) ( segid " " and resid 165 and name HG1%) 2.400 0.700 0.700 peak 506 spectrum 1 weight 0.11000E+01 volume 0.49999E-02 ppm1 8.589 ppm2 0.843 CV 1 ASSI { 508} (( segid " " and resid 165 and name HN )) (( segid " " and resid 167 and name HN )) 5.000 3.100 1.000 peak 508 spectrum 1 weight 0.11000E+01 volume 0.71685E-03 ppm1 8.587 ppm2 8.240 CV 1 ASSI { 509} (( segid " " and resid 165 and name HN )) ( segid " " and resid 174 and name HE% ) 5.000 3.100 1.000 peak 509 spectrum 1 weight 0.11000E+01 volume 0.23703E-03 ppm1 8.586 ppm2 7.195 CV 1 ASSI { 510} (( segid " " and resid 165 and name HN )) (( segid " " and resid 220 and name HB1 )) 3.200 1.300 1.300 peak 510 spectrum 1 weight 0.11000E+01 volume 0.99541E-03 ppm1 8.587 ppm2 2.172 CV 1 ASSI { 511} (( segid " " and resid 165 and name HN )) (( segid " " and resid 220 and name HG1 )) 3.300 1.400 1.400 peak 511 spectrum 1 weight 0.11000E+01 volume 0.99541E-03 ppm1 8.587 ppm2 2.190 CV 1 ASSI { 512} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HA )) 3.100 1.200 1.200 peak 512 spectrum 1 weight 0.11000E+01 volume 0.88221E-03 ppm1 8.269 ppm2 4.305 CV 1 ASSI { 513} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HB )) 4.000 2.000 2.000 peak 513 spectrum 1 weight 0.11000E+01 volume 0.74957E-03 ppm1 8.275 ppm2 2.118 CV 1 ASSI { 514} (( segid " " and resid 166 and name HN )) ( segid " " and resid 165 and name HG1%) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.11000E+01 volume 0.29034E-02 ppm1 8.273 ppm2 0.841 CV 1 ASSI { 515} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HN )) 3.400 1.500 1.500 peak 515 spectrum 1 weight 0.11000E+01 volume 0.18401E-02 ppm1 8.273 ppm2 8.605 CV 1 ASSI { 516} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HA )) 2.600 0.900 0.900 peak 516 spectrum 1 weight 0.11000E+01 volume 0.31559E-02 ppm1 8.270 ppm2 4.606 CV 1 ASSI { 517} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB1 )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.19184E-02 ppm1 8.270 ppm2 2.902 CV 1 ASSI { 518} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HB2 )) 3.000 1.200 1.200 peak 518 spectrum 1 weight 0.11000E+01 volume 0.25890E-02 ppm1 8.273 ppm2 2.701 CV 1 ASSI { 519} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HA )) 2.800 1.000 1.000 peak 519 spectrum 1 weight 0.11000E+01 volume 0.20159E-02 ppm1 8.242 ppm2 4.116 CV 1 ASSI { 520} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB1 )) 3.000 1.100 1.100 peak 520 spectrum 1 weight 0.11000E+01 volume 0.22721E-02 ppm1 8.248 ppm2 1.931 CV 1 ASSI { 521} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB2 )) 3.200 1.200 1.200 peak 521 spectrum 1 weight 0.11000E+01 volume 0.27660E-02 ppm1 8.243 ppm2 1.727 CV 1 ASSI { 522} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HG2 )) 2.400 2.400 3.600 peak 522 spectrum 1 weight 0.11000E+01 volume 0.33409E-02 ppm1 8.244 ppm2 2.229 CV 1 ASSI { 523} (( segid " " and resid 167 and name HN )) ( segid " " and resid 168 and name HD% ) 3.800 1.800 1.800 peak 523 spectrum 1 weight 0.11000E+01 volume 0.69872E-03 ppm1 8.242 ppm2 7.374 CV 1 ASSI { 524} (( segid " " and resid 167 and name HN )) (( segid " " and resid 168 and name HN )) 2.600 0.800 0.800 peak 524 spectrum 1 weight 0.11000E+01 volume 0.23582E-02 ppm1 8.241 ppm2 7.889 CV 1 ASSI { 525} (( segid " " and resid 168 and name HN )) (( segid " " and resid 166 and name HA )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.11000E+01 volume 0.80209E-03 ppm1 7.874 ppm2 4.607 CV 1 ASSI { 526} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) 3.400 1.500 1.500 peak 526 spectrum 1 weight 0.11000E+01 volume 0.11243E-02 ppm1 7.877 ppm2 4.115 CV 1 ASSI { 527} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB1 )) 5.600 3.900 0.400 peak 527 spectrum 1 weight 0.11000E+01 volume 0.13903E-03 ppm1 7.884 ppm2 1.940 CV 1 ASSI { 528} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HG2 )) 4.600 2.600 1.400 peak 528 spectrum 1 weight 0.11000E+01 volume 0.24471E-03 ppm1 7.868 ppm2 2.226 CV 1 ASSI { 530} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) 3.100 1.200 1.200 peak 530 spectrum 1 weight 0.11000E+01 volume 0.16776E-02 ppm1 7.877 ppm2 4.906 CV 1 ASSI { 531} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.900 1.900 1.900 peak 531 spectrum 1 weight 0.11000E+01 volume 0.14835E-02 ppm1 7.875 ppm2 3.417 CV 1 ASSI { 532} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB2 )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.11000E+01 volume 0.22527E-02 ppm1 7.876 ppm2 3.027 CV 1 ASSI { 533} (( segid " " and resid 168 and name HN )) ( segid " " and resid 168 and name HD% ) 3.000 1.200 1.200 peak 533 spectrum 1 weight 0.11000E+01 volume 0.25767E-02 ppm1 7.877 ppm2 7.383 CV 1 ASSI { 534} (( segid " " and resid 168 and name HN )) (( segid " " and resid 169 and name HN )) 4.800 2.800 1.200 peak 534 spectrum 1 weight 0.11000E+01 volume 0.26706E-03 ppm1 7.875 ppm2 9.223 CV 1 ASSI { 535} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HA )) 3.100 1.200 1.200 peak 535 spectrum 1 weight 0.11000E+01 volume 0.20072E-02 ppm1 9.211 ppm2 4.905 CV 1 ASSI { 536} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB1 )) 3.500 1.600 1.600 peak 536 spectrum 1 weight 0.11000E+01 volume 0.50941E-03 ppm1 9.211 ppm2 3.416 CV 1 ASSI { 537} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB2 )) 5.000 3.100 1.000 peak 537 spectrum 1 weight 0.11000E+01 volume 0.37978E-03 ppm1 9.214 ppm2 3.019 CV 1 ASSI { 538} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HD% ) 4.500 2.500 1.500 peak 538 spectrum 1 weight 0.11000E+01 volume 0.35972E-03 ppm1 9.217 ppm2 7.377 CV 1 ASSI { 539} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HA )) 3.400 1.500 1.500 peak 539 spectrum 1 weight 0.11000E+01 volume 0.10278E-02 ppm1 9.208 ppm2 4.557 CV 1 ASSI { 540} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB2 )) 3.500 1.600 1.600 peak 540 spectrum 1 weight 0.11000E+01 volume 0.10950E-02 ppm1 9.209 ppm2 4.004 CV 1 OR { 540} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB1 )) ASSI { 542} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HA )) 4.900 3.000 1.100 peak 542 spectrum 1 weight 0.11000E+01 volume 0.40128E-03 ppm1 7.547 ppm2 4.916 CV 1 ASSI { 544} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HB2 )) 4.400 2.400 1.600 peak 544 spectrum 1 weight 0.11000E+01 volume 0.10311E-02 ppm1 7.536 ppm2 3.009 CV 1 ASSI { 545} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HA )) 3.500 1.600 1.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.14407E-02 ppm1 7.551 ppm2 4.575 CV 1 ASSI { 546} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HB1 )) 3.600 1.600 1.600 peak 546 spectrum 1 weight 0.11000E+01 volume 0.82754E-03 ppm1 7.541 ppm2 4.002 CV 1 OR { 546} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HB2 )) ASSI { 547} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HN )) 3.000 1.100 1.100 peak 547 spectrum 1 weight 0.11000E+01 volume 0.21666E-02 ppm1 7.552 ppm2 9.229 CV 1 ASSI { 548} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HA )) 3.700 1.700 1.700 peak 548 spectrum 1 weight 0.11000E+01 volume 0.56280E-03 ppm1 7.542 ppm2 4.759 CV 1 ASSI { 549} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB1 )) 4.800 2.800 1.200 peak 549 spectrum 1 weight 0.11000E+01 volume 0.33320E-03 ppm1 7.551 ppm2 3.220 CV 1 ASSI { 550} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.000 1.200 1.200 peak 550 spectrum 1 weight 0.11000E+01 volume 0.16254E-02 ppm1 7.544 ppm2 3.025 CV 1 ASSI { 552} (( segid " " and resid 171 and name HE21)) (( segid " " and resid 171 and name HE22)) 1.900 0.500 0.500 peak 552 spectrum 1 weight 0.11000E+01 volume 0.68691E-02 ppm1 6.782 ppm2 7.410 CV 1 ASSI { 553} (( segid " " and resid 171 and name HE21)) ( segid " " and resid 214 and name HG2%) 4.800 2.900 1.200 peak 553 spectrum 1 weight 0.11000E+01 volume 0.35182E-03 ppm1 6.798 ppm2 0.859 CV 1 ASSI { 554} (( segid " " and resid 171 and name HE22)) (( segid " " and resid 170 and name HD21)) 2.200 2.200 3.800 peak 554 spectrum 1 weight 0.11000E+01 volume 0.24695E-01 ppm1 7.419 ppm2 6.802 CV 1 ASSI { 555} (( segid " " and resid 171 and name HE22)) (( segid " " and resid 171 and name HG1 )) 4.200 2.200 1.800 peak 555 spectrum 1 weight 0.11000E+01 volume 0.77343E-03 ppm1 7.419 ppm2 2.479 CV 1 ASSI { 556} (( segid " " and resid 171 and name HE22)) ( segid " " and resid 214 and name HG2%) 4.100 2.100 1.900 peak 556 spectrum 1 weight 0.11000E+01 volume 0.87407E-03 ppm1 7.419 ppm2 0.863 CV 1 ASSI { 558} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HA )) 3.100 1.200 1.200 peak 558 spectrum 1 weight 0.11000E+01 volume 0.11177E-02 ppm1 8.619 ppm2 4.771 CV 1 ASSI { 559} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB1 )) 3.700 1.700 1.700 peak 559 spectrum 1 weight 0.11000E+01 volume 0.12094E-02 ppm1 8.620 ppm2 3.233 CV 1 ASSI { 560} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.700 1.700 1.700 peak 560 spectrum 1 weight 0.11000E+01 volume 0.22345E-02 ppm1 8.619 ppm2 3.024 CV 1 ASSI { 561} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HA )) 5.500 3.700 0.500 peak 561 spectrum 1 weight 0.11000E+01 volume 0.22463E-03 ppm1 8.635 ppm2 4.257 CV 1 ASSI { 562} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HD21)) 5.300 3.500 0.700 peak 562 spectrum 1 weight 0.11000E+01 volume 0.19605E-03 ppm1 8.602 ppm2 7.583 CV 1 ASSI { 565} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.500 3.500 2.500 peak 565 spectrum 1 weight 0.11000E+01 volume 0.16286E-02 ppm1 8.622 ppm2 2.713 CV 1 ASSI { 566} (( segid " " and resid 172 and name HN )) (( segid " " and resid 170 and name HB2 )) 4.300 2.300 1.700 peak 566 spectrum 1 weight 0.11000E+01 volume 0.71277E-03 ppm1 8.510 ppm2 3.024 CV 1 ASSI { 567} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HN )) 2.700 0.900 0.900 peak 567 spectrum 1 weight 0.11000E+01 volume 0.22656E-02 ppm1 8.509 ppm2 8.618 CV 1 ASSI { 568} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HA )) 2.500 0.800 0.800 peak 568 spectrum 1 weight 0.11000E+01 volume 0.35458E-02 ppm1 8.509 ppm2 4.220 CV 1 ASSI { 569} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB1 )) 2.400 2.400 3.600 peak 569 spectrum 1 weight 0.11000E+01 volume 0.45812E-02 ppm1 8.510 ppm2 2.775 CV 1 ASSI { 570} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB2 )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.11000E+01 volume 0.27203E-02 ppm1 8.497 ppm2 2.696 CV 1 ASSI { 572} (( segid " " and resid 172 and name HN )) (( segid " " and resid 175 and name HB )) 2.700 2.700 3.300 peak 572 spectrum 1 weight 0.11000E+01 volume 0.46500E-02 ppm1 8.516 ppm2 2.214 CV 1 ASSI { 573} (( segid " " and resid 173 and name HN )) (( segid " " and resid 170 and name HB2 )) 4.800 2.900 1.200 peak 573 spectrum 1 weight 0.11000E+01 volume 0.27734E-03 ppm1 8.411 ppm2 3.038 CV 1 ASSI { 574} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HN )) 4.600 2.600 1.400 peak 574 spectrum 1 weight 0.11000E+01 volume 0.27494E-03 ppm1 8.413 ppm2 8.618 CV 1 ASSI { 575} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HA )) 2.600 0.900 0.900 peak 575 spectrum 1 weight 0.11000E+01 volume 0.45166E-02 ppm1 8.411 ppm2 4.244 CV 1 ASSI { 576} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HB1 )) 3.300 1.300 1.300 peak 576 spectrum 1 weight 0.11000E+01 volume 0.20341E-02 ppm1 8.410 ppm2 2.735 CV 1 ASSI { 577} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HB2 )) 3.000 1.100 1.100 peak 577 spectrum 1 weight 0.11000E+01 volume 0.20341E-02 ppm1 8.406 ppm2 2.721 CV 1 ASSI { 578} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HD21)) 4.000 2.000 2.000 peak 578 spectrum 1 weight 0.11000E+01 volume 0.41972E-03 ppm1 8.413 ppm2 7.592 CV 1 ASSI { 579} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HN )) 2.200 0.600 0.600 peak 579 spectrum 1 weight 0.11000E+01 volume 0.77690E-02 ppm1 8.413 ppm2 8.510 CV 1 ASSI { 580} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HA )) 2.700 0.900 0.900 peak 580 spectrum 1 weight 0.11000E+01 volume 0.47552E-02 ppm1 8.407 ppm2 4.297 CV 1 ASSI { 581} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HN )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.11000E+01 volume 0.19249E-02 ppm1 8.411 ppm2 7.101 CV 1 ASSI { 582} (( segid " " and resid 173 and name HN )) (( segid " " and resid 176 and name HN )) 2.400 2.400 3.600 peak 582 spectrum 1 weight 0.11000E+01 volume 0.10104E-01 ppm1 8.413 ppm2 8.366 CV 1 ASSI { 583} (( segid " " and resid 174 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.400 1.500 1.500 peak 583 spectrum 1 weight 0.11000E+01 volume 0.14466E-02 ppm1 7.093 ppm2 3.058 CV 1 ASSI { 584} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HE22)) 5.200 3.400 0.800 peak 584 spectrum 1 weight 0.11000E+01 volume 0.45656E-03 ppm1 7.090 ppm2 7.383 CV 1 ASSI { 585} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HG1 )) 4.100 2.100 1.900 peak 585 spectrum 1 weight 0.11000E+01 volume 0.97322E-03 ppm1 7.091 ppm2 2.457 CV 1 ASSI { 586} (( segid " " and resid 174 and name HN )) (( segid " " and resid 172 and name HA )) 3.900 1.900 1.900 peak 586 spectrum 1 weight 0.11000E+01 volume 0.72763E-03 ppm1 7.094 ppm2 4.235 CV 1 ASSI { 588} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HA )) 3.900 1.900 1.900 peak 588 spectrum 1 weight 0.11000E+01 volume 0.42179E-03 ppm1 7.101 ppm2 4.208 CV 1 ASSI { 589} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.000 1.200 1.200 peak 589 spectrum 1 weight 0.11000E+01 volume 0.11053E-02 ppm1 7.093 ppm2 2.702 CV 1 ASSI { 590} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HA )) 5.000 3.100 1.000 peak 590 spectrum 1 weight 0.11000E+01 volume 0.34269E-03 ppm1 7.089 ppm2 3.395 CV 1 ASSI { 591} (( segid " " and resid 174 and name HN )) ( segid " " and resid 175 and name HG2%) 5.000 3.200 1.000 peak 591 spectrum 1 weight 0.11000E+01 volume 0.29593E-03 ppm1 7.094 ppm2 1.059 CV 1 ASSI { 592} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HN )) 3.300 1.300 1.300 peak 592 spectrum 1 weight 0.11000E+01 volume 0.85524E-03 ppm1 7.093 ppm2 8.907 CV 1 ASSI { 593} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HN )) 4.000 2.000 2.000 peak 593 spectrum 1 weight 0.11000E+01 volume 0.78100E-03 ppm1 7.081 ppm2 8.386 CV 1 ASSI { 595} (( segid " " and resid 175 and name HN )) (( segid " " and resid 171 and name HG1 )) 4.400 2.400 1.600 peak 595 spectrum 1 weight 0.11000E+01 volume 0.62024E-03 ppm1 8.897 ppm2 2.456 CV 1 ASSI { 596} (( segid " " and resid 175 and name HN )) (( segid " " and resid 172 and name HA )) 3.700 1.700 1.700 peak 596 spectrum 1 weight 0.11000E+01 volume 0.81676E-03 ppm1 8.895 ppm2 4.245 CV 1 ASSI { 597} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HA )) 5.000 3.100 1.000 peak 597 spectrum 1 weight 0.11000E+01 volume 0.13822E-03 ppm1 8.903 ppm2 4.316 CV 1 ASSI { 598} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HN )) 3.400 1.400 1.400 peak 598 spectrum 1 weight 0.11000E+01 volume 0.12748E-02 ppm1 8.899 ppm2 8.402 CV 1 ASSI { 599} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HA )) 4.100 2.100 1.900 peak 599 spectrum 1 weight 0.11000E+01 volume 0.41957E-03 ppm1 8.911 ppm2 4.189 CV 1 ASSI { 600} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB1 )) 3.300 1.400 1.400 peak 600 spectrum 1 weight 0.11000E+01 volume 0.71167E-03 ppm1 8.897 ppm2 2.704 CV 1 ASSI { 602} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HA )) 3.300 1.300 1.300 peak 602 spectrum 1 weight 0.11000E+01 volume 0.10890E-02 ppm1 8.897 ppm2 3.387 CV 1 ASSI { 603} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB )) 2.500 0.800 0.800 peak 603 spectrum 1 weight 0.11000E+01 volume 0.26778E-02 ppm1 8.898 ppm2 2.186 CV 1 ASSI { 604} (( segid " " and resid 175 and name HN )) ( segid " " and resid 175 and name HG1%) 3.500 1.500 1.500 peak 604 spectrum 1 weight 0.11000E+01 volume 0.32932E-02 ppm1 8.897 ppm2 1.048 CV 1 ASSI { 605} (( segid " " and resid 175 and name HN )) ( segid " " and resid 175 and name HG2%) 3.600 1.700 1.700 peak 605 spectrum 1 weight 0.11000E+01 volume 0.75039E-03 ppm1 8.892 ppm2 1.090 CV 1 ASSI { 607} (( segid " " and resid 175 and name HN )) (( segid " " and resid 177 and name HB1 )) 3.800 1.800 1.800 peak 607 spectrum 1 weight 0.11000E+01 volume 0.83426E-03 ppm1 8.892 ppm2 3.005 CV 1 ASSI { 608} (( segid " " and resid 175 and name HN )) (( segid " " and resid 177 and name HN )) 4.100 2.100 1.900 peak 608 spectrum 1 weight 0.11000E+01 volume 0.29244E-03 ppm1 8.900 ppm2 7.363 CV 1 ASSI { 609} (( segid " " and resid 175 and name HN )) ( segid " " and resid 217 and name HE% ) 3.800 3.800 2.200 peak 609 spectrum 1 weight 0.11000E+01 volume 0.12817E-02 ppm1 8.900 ppm2 7.135 CV 1 ASSI { 610} (( segid " " and resid 176 and name HN )) (( segid " " and resid 173 and name HA )) 2.700 2.700 3.300 peak 610 spectrum 1 weight 0.11000E+01 volume 0.47173E-02 ppm1 8.367 ppm2 4.295 CV 1 ASSI { 611} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HA )) 2.800 1.000 1.000 peak 611 spectrum 1 weight 0.11000E+01 volume 0.45294E-02 ppm1 8.368 ppm2 3.406 CV 1 ASSI { 612} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HB )) 2.500 0.800 0.800 peak 612 spectrum 1 weight 0.11000E+01 volume 0.30214E-02 ppm1 8.368 ppm2 2.196 CV 1 ASSI { 613} (( segid " " and resid 176 and name HN )) ( segid " " and resid 175 and name HG1%) 2.700 2.700 3.300 peak 613 spectrum 1 weight 0.11000E+01 volume 0.20786E-02 ppm1 8.370 ppm2 1.039 CV 1 ASSI { 614} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HN )) 3.200 1.300 1.300 peak 614 spectrum 1 weight 0.11000E+01 volume 0.14173E-02 ppm1 8.367 ppm2 8.906 CV 1 ASSI { 615} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HA )) 2.500 0.800 0.800 peak 615 spectrum 1 weight 0.11000E+01 volume 0.47173E-02 ppm1 8.367 ppm2 4.297 CV 1 ASSI { 616} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB1 )) 2.400 0.700 0.700 peak 616 spectrum 1 weight 0.11000E+01 volume 0.74638E-02 ppm1 8.369 ppm2 3.337 CV 1 OR { 616} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB2 )) ASSI { 617} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HD2 )) 3.500 3.500 2.500 peak 617 spectrum 1 weight 0.11000E+01 volume 0.15120E-02 ppm1 8.380 ppm2 8.184 CV 1 ASSI { 618} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HN )) 3.000 1.100 1.100 peak 618 spectrum 1 weight 0.11000E+01 volume 0.16785E-02 ppm1 8.366 ppm2 7.381 CV 1 ASSI { 619} (( segid " " and resid 176 and name HN )) (( segid " " and resid 178 and name HN )) 3.500 1.500 1.500 peak 619 spectrum 1 weight 0.11000E+01 volume 0.14528E-02 ppm1 8.371 ppm2 8.132 CV 1 ASSI { 621} (( segid " " and resid 177 and name HN )) ( segid " " and resid 175 and name HG1%) 5.300 3.500 0.700 peak 621 spectrum 1 weight 0.11000E+01 volume 0.15040E-03 ppm1 7.366 ppm2 1.062 CV 1 ASSI { 622} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB2 )) 2.900 1.100 1.100 peak 622 spectrum 1 weight 0.11000E+01 volume 0.27545E-02 ppm1 7.357 ppm2 3.353 CV 1 OR { 622} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 623} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HD2 )) 3.200 1.300 1.300 peak 623 spectrum 1 weight 0.11000E+01 volume 0.19931E-02 ppm1 7.359 ppm2 8.158 CV 1 ASSI { 625} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HA )) 2.900 1.100 1.100 peak 625 spectrum 1 weight 0.11000E+01 volume 0.24493E-02 ppm1 7.356 ppm2 4.585 CV 1 ASSI { 626} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB1 )) 2.700 0.900 0.900 peak 626 spectrum 1 weight 0.11000E+01 volume 0.44285E-02 ppm1 7.358 ppm2 3.020 CV 1 ASSI { 627} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HB2 )) 2.600 0.800 0.800 peak 627 spectrum 1 weight 0.11000E+01 volume 0.53657E-02 ppm1 7.357 ppm2 2.952 CV 1 ASSI { 628} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HB2 )) 6.000 6.000 0.000 peak 628 spectrum 1 weight 0.11000E+01 volume 0.20605E-03 ppm1 7.344 ppm2 3.148 CV 1 ASSI { 629} (( segid " " and resid 177 and name HN )) (( segid " " and resid 178 and name HN )) 3.000 1.100 1.100 peak 629 spectrum 1 weight 0.11000E+01 volume 0.19931E-02 ppm1 7.359 ppm2 8.160 CV 1 ASSI { 630} (( segid " " and resid 177 and name HN )) (( segid " " and resid 180 and name HB2 )) 4.800 2.900 1.200 peak 630 spectrum 1 weight 0.11000E+01 volume 0.52251E-03 ppm1 7.366 ppm2 2.797 CV 1 ASSI { 631} (( segid " " and resid 178 and name HN )) (( segid " " and resid 175 and name HA )) 4.500 2.600 1.500 peak 631 spectrum 1 weight 0.11000E+01 volume 0.14510E-03 ppm1 8.151 ppm2 3.383 CV 1 ASSI { 632} (( segid " " and resid 178 and name HN )) ( segid " " and resid 175 and name HG1%) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.11000E+01 volume 0.64457E-03 ppm1 8.139 ppm2 1.047 CV 1 ASSI { 633} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HA )) 4.000 2.000 2.000 peak 633 spectrum 1 weight 0.11000E+01 volume 0.52191E-03 ppm1 8.138 ppm2 4.607 CV 1 ASSI { 634} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HB1 )) 2.700 0.900 0.900 peak 634 spectrum 1 weight 0.11000E+01 volume 0.21924E-02 ppm1 8.138 ppm2 2.983 CV 1 ASSI { 636} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HA )) 2.900 1.100 1.100 peak 636 spectrum 1 weight 0.11000E+01 volume 0.16732E-02 ppm1 8.130 ppm2 4.681 CV 1 ASSI { 637} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB1 )) 2.700 0.900 0.900 peak 637 spectrum 1 weight 0.11000E+01 volume 0.20929E-02 ppm1 8.133 ppm2 2.838 CV 1 ASSI { 638} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.500 1.600 1.600 peak 638 spectrum 1 weight 0.11000E+01 volume 0.20629E-02 ppm1 8.130 ppm2 3.166 CV 1 ASSI { 639} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HB )) 5.600 5.600 0.400 peak 639 spectrum 1 weight 0.11000E+01 volume 0.27795E-03 ppm1 8.140 ppm2 2.127 CV 1 ASSI { 640} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HN )) 2.800 1.000 1.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.14230E-02 ppm1 8.132 ppm2 9.240 CV 1 ASSI { 641} (( segid " " and resid 179 and name HN )) (( segid " " and resid 175 and name HA )) 4.300 2.400 1.700 peak 641 spectrum 1 weight 0.11000E+01 volume 0.27706E-03 ppm1 9.219 ppm2 3.382 CV 1 ASSI { 642} (( segid " " and resid 179 and name HN )) (( segid " " and resid 176 and name HA )) 4.800 2.900 1.200 peak 642 spectrum 1 weight 0.11000E+01 volume 0.30205E-03 ppm1 9.208 ppm2 4.317 CV 1 ASSI { 643} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HA )) 3.800 1.800 1.800 peak 643 spectrum 1 weight 0.11000E+01 volume 0.31878E-03 ppm1 9.218 ppm2 4.673 CV 1 ASSI { 644} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB1 )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.11000E+01 volume 0.12534E-02 ppm1 9.221 ppm2 2.841 CV 1 ASSI { 645} (( segid " " and resid 179 and name HN )) (( segid " " and resid 178 and name HB2 )) 3.300 1.400 1.400 peak 645 spectrum 1 weight 0.11000E+01 volume 0.89520E-03 ppm1 9.218 ppm2 3.173 CV 1 ASSI { 647} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HA )) 2.800 1.000 1.000 peak 647 spectrum 1 weight 0.11000E+01 volume 0.12510E-02 ppm1 9.220 ppm2 3.675 CV 1 ASSI { 648} (( segid " " and resid 179 and name HN )) (( segid " " and resid 179 and name HB )) 3.200 1.200 1.200 peak 648 spectrum 1 weight 0.11000E+01 volume 0.33056E-02 ppm1 9.219 ppm2 2.133 CV 1 ASSI { 649} (( segid " " and resid 179 and name HN )) ( segid " " and resid 179 and name HG1%) 2.100 0.600 0.600 peak 649 spectrum 1 weight 0.11000E+01 volume 0.37993E-02 ppm1 9.218 ppm2 1.058 CV 1 ASSI { 650} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HA )) 4.600 2.600 1.400 peak 650 spectrum 1 weight 0.11000E+01 volume 0.51138E-03 ppm1 9.216 ppm2 4.309 CV 1 ASSI { 651} (( segid " " and resid 179 and name HN )) (( segid " " and resid 180 and name HN )) 2.700 0.900 0.900 peak 651 spectrum 1 weight 0.11000E+01 volume 0.15261E-02 ppm1 9.218 ppm2 7.643 CV 1 ASSI { 652} (( segid " " and resid 179 and name HN )) ( segid " " and resid 183 and name HG2%) 4.800 2.900 1.200 peak 652 spectrum 1 weight 0.11000E+01 volume 0.51963E-03 ppm1 9.188 ppm2 0.978 CV 1 ASSI { 653} (( segid " " and resid 179 and name HN )) ( segid " " and resid 209 and name HG1%) 4.400 2.400 1.600 peak 653 spectrum 1 weight 0.11000E+01 volume 0.14245E-02 ppm1 9.212 ppm2 0.939 CV 1 ASSI { 654} (( segid " " and resid 179 and name HN )) ( segid " " and resid 209 and name HG2%) 5.600 5.600 0.400 peak 654 spectrum 1 weight 0.11000E+01 volume 0.36610E-03 ppm1 9.219 ppm2 1.190 CV 1 ASSI { 655} (( segid " " and resid 179 and name HN )) (( segid " " and resid 210 and name HA )) 6.000 6.000 0.000 peak 655 spectrum 1 weight 0.11000E+01 volume 0.50129E-04 ppm1 9.224 ppm2 3.559 CV 1 ASSI { 656} (( segid " " and resid 179 and name HN )) (( segid " " and resid 213 and name HB2 )) 5.000 3.100 1.000 peak 656 spectrum 1 weight 0.11000E+01 volume 0.30231E-03 ppm1 9.232 ppm2 2.894 CV 1 ASSI { 657} (( segid " " and resid 180 and name HD21)) (( segid " " and resid 180 and name HB1 )) 3.700 1.700 1.700 peak 657 spectrum 1 weight 0.11000E+01 volume 0.75558E-03 ppm1 6.757 ppm2 2.842 CV 1 ASSI { 658} (( segid " " and resid 180 and name HD21)) (( segid " " and resid 180 and name HD22)) 1.700 0.400 0.500 peak 658 spectrum 1 weight 0.11000E+01 volume 0.25673E-01 ppm1 6.760 ppm2 7.653 CV 1 ASSI { 659} (( segid " " and resid 180 and name HD22)) (( segid " " and resid 180 and name HB1 )) 5.100 5.100 0.900 peak 659 spectrum 1 weight 0.11000E+01 volume 0.27715E-03 ppm1 7.633 ppm2 2.848 CV 1 ASSI { 661} (( segid " " and resid 180 and name HN )) (( segid " " and resid 177 and name HA )) 3.600 1.600 1.600 peak 661 spectrum 1 weight 0.11000E+01 volume 0.63478E-03 ppm1 7.622 ppm2 4.580 CV 1 ASSI { 662} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HA )) 3.000 1.100 1.100 peak 662 spectrum 1 weight 0.11000E+01 volume 0.17675E-02 ppm1 7.627 ppm2 3.679 CV 1 ASSI { 663} (( segid " " and resid 180 and name HN )) (( segid " " and resid 179 and name HB )) 3.300 1.400 1.400 peak 663 spectrum 1 weight 0.11000E+01 volume 0.30787E-02 ppm1 7.626 ppm2 2.127 CV 1 ASSI { 664} (( segid " " and resid 180 and name HN )) ( segid " " and resid 179 and name HG1%) 3.900 1.900 1.900 peak 664 spectrum 1 weight 0.11000E+01 volume 0.10959E-02 ppm1 7.626 ppm2 1.050 CV 1 ASSI { 665} (( segid " " and resid 180 and name HN )) ( segid " " and resid 179 and name HG2%) 2.900 1.000 1.000 peak 665 spectrum 1 weight 0.11000E+01 volume 0.15564E-02 ppm1 7.627 ppm2 0.954 CV 1 ASSI { 667} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HA )) 2.600 0.800 0.800 peak 667 spectrum 1 weight 0.11000E+01 volume 0.34293E-02 ppm1 7.627 ppm2 4.308 CV 1 ASSI { 668} (( segid " " and resid 180 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.100 1.200 1.200 peak 668 spectrum 1 weight 0.11000E+01 volume 0.49153E-02 ppm1 7.628 ppm2 2.839 CV 1 ASSI { 670} (( segid " " and resid 180 and name HN )) ( segid " " and resid 183 and name HG2%) 3.800 1.800 1.800 peak 670 spectrum 1 weight 0.11000E+01 volume 0.15564E-02 ppm1 7.628 ppm2 0.973 CV 1 ASSI { 671} (( segid " " and resid 180 and name HN )) (( segid " " and resid 183 and name HN )) 6.000 6.000 0.000 peak 671 spectrum 1 weight 0.11000E+01 volume 0.21254E-04 ppm1 7.621 ppm2 8.798 CV 1 ASSI { 672} (( segid " " and resid 181 and name HN )) (( segid " " and resid 177 and name HA )) 4.600 2.600 1.400 peak 672 spectrum 1 weight 0.11000E+01 volume 0.36631E-03 ppm1 8.669 ppm2 4.570 CV 1 ASSI { 673} (( segid " " and resid 181 and name HN )) (( segid " " and resid 178 and name HN )) 4.100 2.100 1.900 peak 673 spectrum 1 weight 0.11000E+01 volume 0.88266E-03 ppm1 8.664 ppm2 8.152 CV 1 ASSI { 674} (( segid " " and resid 181 and name HN )) (( segid " " and resid 179 and name HA )) 3.900 1.900 1.900 peak 674 spectrum 1 weight 0.11000E+01 volume 0.39950E-03 ppm1 8.659 ppm2 3.708 CV 1 ASSI { 675} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HA )) 3.600 1.600 1.600 peak 675 spectrum 1 weight 0.11000E+01 volume 0.46263E-03 ppm1 8.660 ppm2 4.305 CV 1 ASSI { 676} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HB1 )) 3.100 1.200 1.200 peak 676 spectrum 1 weight 0.11000E+01 volume 0.21575E-02 ppm1 8.661 ppm2 2.833 CV 1 ASSI { 677} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HD22)) 4.100 2.100 1.900 peak 677 spectrum 1 weight 0.11000E+01 volume 0.13113E-02 ppm1 8.649 ppm2 7.637 CV 1 ASSI { 678} (( segid " " and resid 181 and name HN )) (( segid " " and resid 180 and name HN )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.11000E+01 volume 0.14065E-02 ppm1 8.661 ppm2 7.640 CV 1 ASSI { 679} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HA )) 2.800 1.000 1.000 peak 679 spectrum 1 weight 0.11000E+01 volume 0.18800E-02 ppm1 8.661 ppm2 3.743 CV 1 ASSI { 680} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HB )) 2.900 2.900 3.100 peak 680 spectrum 1 weight 0.11000E+01 volume 0.35217E-02 ppm1 8.660 ppm2 1.584 CV 1 ASSI { 681} (( segid " " and resid 181 and name HN )) ( segid " " and resid 181 and name HD1%) 4.200 2.200 1.800 peak 681 spectrum 1 weight 0.11000E+01 volume 0.63994E-03 ppm1 8.658 ppm2 0.409 CV 1 ASSI { 682} (( segid " " and resid 181 and name HN )) (( segid " " and resid 181 and name HG11)) 3.900 3.900 2.100 peak 682 spectrum 1 weight 0.11000E+01 volume 0.16719E-02 ppm1 8.671 ppm2 0.854 CV 1 ASSI { 683} (( segid " " and resid 181 and name HN )) ( segid " " and resid 181 and name HG2%) 4.100 2.100 1.900 peak 683 spectrum 1 weight 0.11000E+01 volume 0.13587E-02 ppm1 8.661 ppm2 0.243 CV 1 ASSI { 684} (( segid " " and resid 181 and name HN )) (( segid " " and resid 182 and name HN )) 2.700 0.900 0.900 peak 684 spectrum 1 weight 0.11000E+01 volume 0.12834E-02 ppm1 8.663 ppm2 8.110 CV 1 ASSI { 685} (( segid " " and resid 181 and name HN )) (( segid " " and resid 183 and name HN )) 4.100 2.100 1.900 peak 685 spectrum 1 weight 0.11000E+01 volume 0.56288E-03 ppm1 8.665 ppm2 8.798 CV 1 ASSI { 686} (( segid " " and resid 182 and name HN )) (( segid " " and resid 161 and name HB2 )) 4.500 2.500 1.500 peak 686 spectrum 1 weight 0.11000E+01 volume 0.21449E-03 ppm1 8.116 ppm2 2.567 CV 1 ASSI { 687} (( segid " " and resid 182 and name HN )) ( segid " " and resid 161 and name HE% ) 3.800 3.800 2.200 peak 687 spectrum 1 weight 0.11000E+01 volume 0.22339E-02 ppm1 8.092 ppm2 6.356 CV 1 ASSI { 688} (( segid " " and resid 182 and name HN )) (( segid " " and resid 179 and name HA )) 3.600 1.600 1.600 peak 688 spectrum 1 weight 0.11000E+01 volume 0.27491E-03 ppm1 8.106 ppm2 3.674 CV 1 ASSI { 689} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HB )) 3.100 3.100 2.900 peak 689 spectrum 1 weight 0.11000E+01 volume 0.11719E-02 ppm1 8.091 ppm2 1.584 CV 1 ASSI { 690} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HG11)) 6.000 6.000 0.000 peak 690 spectrum 1 weight 0.11000E+01 volume 0.80150E-05 ppm1 8.094 ppm2 0.855 CV 1 ASSI { 691} (( segid " " and resid 182 and name HN )) ( segid " " and resid 181 and name HG2%) 4.300 2.300 1.700 peak 691 spectrum 1 weight 0.11000E+01 volume 0.82647E-03 ppm1 8.091 ppm2 0.240 CV 1 ASSI { 693} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HB )) 3.200 1.300 1.300 peak 693 spectrum 1 weight 0.11000E+01 volume 0.71548E-03 ppm1 8.102 ppm2 4.533 CV 1 ASSI { 694} (( segid " " and resid 182 and name HN )) ( segid " " and resid 183 and name HG2%) 3.900 1.900 1.900 peak 694 spectrum 1 weight 0.11000E+01 volume 0.94560E-03 ppm1 8.094 ppm2 0.968 CV 1 ASSI { 695} (( segid " " and resid 182 and name HN )) (( segid " " and resid 183 and name HN )) 2.700 0.900 0.900 peak 695 spectrum 1 weight 0.11000E+01 volume 0.16590E-02 ppm1 8.092 ppm2 8.812 CV 1 ASSI { 696} (( segid " " and resid 182 and name HN )) (( segid " " and resid 184 and name HA )) 4.000 4.000 2.000 peak 696 spectrum 1 weight 0.11000E+01 volume 0.10496E-02 ppm1 8.089 ppm2 4.081 CV 1 ASSI { 697} (( segid " " and resid 182 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.600 2.600 1.400 peak 697 spectrum 1 weight 0.11000E+01 volume 0.55343E-03 ppm1 8.106 ppm2 1.510 CV 1 ASSI { 698} (( segid " " and resid 182 and name HN )) (( segid " " and resid 185 and name HN )) 4.400 2.400 1.600 peak 698 spectrum 1 weight 0.11000E+01 volume 0.33750E-03 ppm1 8.092 ppm2 8.393 CV 1 ASSI { 699} (( segid " " and resid 182 and name HN )) ( segid " " and resid 209 and name HG1%) 5.400 3.700 0.600 peak 699 spectrum 1 weight 0.11000E+01 volume 0.34433E-03 ppm1 8.092 ppm2 0.957 CV 1 ASSI { 700} (( segid " " and resid 183 and name HN )) ( segid " " and resid 161 and name HE% ) 5.000 5.000 1.000 peak 700 spectrum 1 weight 0.11000E+01 volume 0.32910E-03 ppm1 8.801 ppm2 6.348 CV 1 ASSI { 701} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 701 spectrum 1 weight 0.11000E+01 volume 0.42276E-03 ppm1 8.802 ppm2 4.062 CV 1 ASSI { 702} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HB )) 2.500 0.800 0.800 peak 702 spectrum 1 weight 0.11000E+01 volume 0.10792E-02 ppm1 8.801 ppm2 4.506 CV 1 ASSI { 704} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HA )) 2.800 0.900 0.900 peak 704 spectrum 1 weight 0.11000E+01 volume 0.18737E-02 ppm1 8.800 ppm2 3.636 CV 1 ASSI { 705} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HB )) 3.200 1.200 1.200 peak 705 spectrum 1 weight 0.11000E+01 volume 0.32785E-02 ppm1 8.802 ppm2 2.294 CV 1 ASSI { 706} (( segid " " and resid 183 and name HN )) ( segid " " and resid 183 and name HG1%) 1.900 0.500 0.500 peak 706 spectrum 1 weight 0.11000E+01 volume 0.36846E-02 ppm1 8.802 ppm2 1.025 CV 1 ASSI { 707} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HA )) 4.300 2.300 1.700 peak 707 spectrum 1 weight 0.11000E+01 volume 0.48860E-03 ppm1 8.801 ppm2 4.062 CV 1 ASSI { 708} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HB2 )) 4.900 3.000 1.100 peak 708 spectrum 1 weight 0.11000E+01 volume 0.18711E-03 ppm1 8.804 ppm2 1.963 CV 1 ASSI { 709} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.500 2.600 1.500 peak 709 spectrum 1 weight 0.11000E+01 volume 0.67034E-03 ppm1 8.800 ppm2 1.514 CV 1 ASSI { 710} (( segid " " and resid 183 and name HN )) (( segid " " and resid 184 and name HN )) 2.600 0.800 0.800 peak 710 spectrum 1 weight 0.11000E+01 volume 0.16170E-02 ppm1 8.801 ppm2 7.914 CV 1 ASSI { 711} (( segid " " and resid 183 and name HN )) ( segid " " and resid 209 and name HG1%) 3.300 1.300 1.300 peak 711 spectrum 1 weight 0.11000E+01 volume 0.29042E-02 ppm1 8.802 ppm2 0.941 CV 1 ASSI { 712} (( segid " " and resid 183 and name HN )) ( segid " " and resid 209 and name HG2%) 4.400 2.400 1.600 peak 712 spectrum 1 weight 0.11000E+01 volume 0.57256E-03 ppm1 8.791 ppm2 1.227 CV 1 ASSI { 713} (( segid " " and resid 184 and name HN )) (( segid " " and resid 181 and name HA )) 4.000 2.000 2.000 peak 713 spectrum 1 weight 0.11000E+01 volume 0.70926E-03 ppm1 7.888 ppm2 3.735 CV 1 ASSI { 714} (( segid " " and resid 184 and name HN )) (( segid " " and resid 182 and name HN )) 3.300 1.400 1.400 peak 714 spectrum 1 weight 0.11000E+01 volume 0.81415E-03 ppm1 7.894 ppm2 8.100 CV 1 ASSI { 715} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HA )) 4.000 2.000 2.000 peak 715 spectrum 1 weight 0.11000E+01 volume 0.29554E-03 ppm1 7.886 ppm2 3.630 CV 1 ASSI { 716} (( segid " " and resid 184 and name HN )) (( segid " " and resid 183 and name HB )) 3.400 1.500 1.500 peak 716 spectrum 1 weight 0.11000E+01 volume 0.20581E-02 ppm1 7.893 ppm2 2.295 CV 1 ASSI { 717} (( segid " " and resid 184 and name HN )) ( segid " " and resid 183 and name HG2%) 3.200 1.300 1.300 peak 717 spectrum 1 weight 0.11000E+01 volume 0.18258E-02 ppm1 7.892 ppm2 0.978 CV 1 ASSI { 719} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HA )) 2.700 0.900 0.900 peak 719 spectrum 1 weight 0.11000E+01 volume 0.28186E-02 ppm1 7.893 ppm2 4.064 CV 1 ASSI { 720} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB1 )) 3.200 1.300 1.300 peak 720 spectrum 1 weight 0.11000E+01 volume 0.46446E-02 ppm1 7.891 ppm2 1.920 CV 1 ASSI { 721} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HB2 )) 2.400 0.700 0.700 peak 721 spectrum 1 weight 0.11000E+01 volume 0.37872E-02 ppm1 7.891 ppm2 1.974 CV 1 ASSI { 722} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HD1 )) 4.100 2.100 1.900 peak 722 spectrum 1 weight 0.11000E+01 volume 0.24920E-03 ppm1 7.884 ppm2 1.655 CV 1 OR { 722} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HD2 )) ASSI { 723} (( segid " " and resid 184 and name HN )) (( segid " " and resid 184 and name HG1 )) 4.500 2.600 1.500 peak 723 spectrum 1 weight 0.11000E+01 volume 0.73816E-03 ppm1 7.895 ppm2 1.500 CV 1 ASSI { 725} (( segid " " and resid 184 and name HN )) (( segid " " and resid 187 and name HN )) 4.400 2.400 1.600 peak 725 spectrum 1 weight 0.11000E+01 volume 0.29728E-03 ppm1 7.897 ppm2 8.186 CV 1 ASSI { 726} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB1 )) 2.900 1.100 1.100 peak 726 spectrum 1 weight 0.11000E+01 volume 0.44402E-02 ppm1 8.384 ppm2 1.949 CV 1 ASSI { 727} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HB2 )) 1.900 0.500 0.500 peak 727 spectrum 1 weight 0.11000E+01 volume 0.37911E-02 ppm1 8.389 ppm2 1.974 CV 1 ASSI { 728} (( segid " " and resid 185 and name HN )) (( segid " " and resid 184 and name HN )) 2.900 1.000 1.000 peak 728 spectrum 1 weight 0.11000E+01 volume 0.12396E-02 ppm1 8.386 ppm2 7.908 CV 1 ASSI { 729} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HA )) 2.500 0.800 0.800 peak 729 spectrum 1 weight 0.11000E+01 volume 0.35214E-02 ppm1 8.384 ppm2 4.048 CV 1 ASSI { 730} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB1 )) 3.100 1.200 1.200 peak 730 spectrum 1 weight 0.11000E+01 volume 0.25402E-02 ppm1 8.379 ppm2 2.156 CV 1 OR { 730} (( segid " " and resid 185 and name HN )) (( segid " " and resid 185 and name HB2 )) ASSI { 733} (( segid " " and resid 187 and name HN )) ( segid " " and resid 183 and name HG2%) 4.200 2.300 1.800 peak 733 spectrum 1 weight 0.11000E+01 volume 0.48817E-03 ppm1 8.168 ppm2 0.996 CV 1 ASSI { 734} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HA )) 3.700 1.700 1.700 peak 734 spectrum 1 weight 0.11000E+01 volume 0.65348E-03 ppm1 8.172 ppm2 4.605 CV 1 ASSI { 735} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB1 )) 3.400 1.400 1.400 peak 735 spectrum 1 weight 0.11000E+01 volume 0.12953E-02 ppm1 8.168 ppm2 3.302 CV 1 OR { 735} (( segid " " and resid 187 and name HN )) (( segid " " and resid 186 and name HB2 )) ASSI { 736} (( segid " " and resid 187 and name HN )) (( segid " " and resid 187 and name HA )) 3.000 1.100 1.100 peak 736 spectrum 1 weight 0.11000E+01 volume 0.20152E-02 ppm1 8.168 ppm2 4.192 CV 1 ASSI { 737} (( segid " " and resid 187 and name HN )) ( segid " " and resid 188 and name HG1%) 3.200 1.300 1.300 peak 737 spectrum 1 weight 0.11000E+01 volume 0.17823E-02 ppm1 8.168 ppm2 1.209 CV 1 ASSI { 738} (( segid " " and resid 187 and name HN )) (( segid " " and resid 188 and name HN )) 2.900 1.000 1.000 peak 738 spectrum 1 weight 0.11000E+01 volume 0.15956E-02 ppm1 8.167 ppm2 8.015 CV 1 ASSI { 739} (( segid " " and resid 187 and name HN )) (( segid " " and resid 190 and name HA )) 4.400 4.400 1.600 peak 739 spectrum 1 weight 0.11000E+01 volume 0.99595E-03 ppm1 8.177 ppm2 4.124 CV 1 ASSI { 740} (( segid " " and resid 187 and name HN )) (( segid " " and resid 191 and name HA )) 3.800 3.800 2.200 peak 740 spectrum 1 weight 0.11000E+01 volume 0.17971E-02 ppm1 8.168 ppm2 4.410 CV 1 ASSI { 743} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HA )) 2.700 0.900 0.900 peak 743 spectrum 1 weight 0.11000E+01 volume 0.38631E-02 ppm1 8.007 ppm2 4.016 CV 1 ASSI { 744} (( segid " " and resid 188 and name HN )) (( segid " " and resid 188 and name HB )) 3.100 1.200 1.200 peak 744 spectrum 1 weight 0.11000E+01 volume 0.41198E-02 ppm1 8.008 ppm2 2.208 CV 1 ASSI { 745} (( segid " " and resid 188 and name HN )) ( segid " " and resid 188 and name HG1%) 3.300 1.300 1.300 peak 745 spectrum 1 weight 0.11000E+01 volume 0.96862E-03 ppm1 8.006 ppm2 1.214 CV 1 ASSI { 746} (( segid " " and resid 188 and name HN )) (( segid " " and resid 189 and name HA )) 3.800 1.800 1.800 peak 746 spectrum 1 weight 0.11000E+01 volume 0.21337E-02 ppm1 8.011 ppm2 4.203 CV 1 ASSI { 747} (( segid " " and resid 188 and name HN )) (( segid " " and resid 189 and name HN )) 2.300 0.700 0.700 peak 747 spectrum 1 weight 0.11000E+01 volume 0.37712E-02 ppm1 8.011 ppm2 8.123 CV 1 ASSI { 748} (( segid " " and resid 188 and name HN )) (( segid " " and resid 191 and name HA )) 4.100 2.100 1.900 peak 748 spectrum 1 weight 0.11000E+01 volume 0.14855E-02 ppm1 8.005 ppm2 4.407 CV 1 ASSI { 749} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HA )) 2.800 1.000 1.000 peak 749 spectrum 1 weight 0.11000E+01 volume 0.23354E-02 ppm1 8.115 ppm2 4.018 CV 1 ASSI { 750} (( segid " " and resid 189 and name HN )) (( segid " " and resid 188 and name HB )) 3.500 1.500 1.500 peak 750 spectrum 1 weight 0.11000E+01 volume 0.21317E-02 ppm1 8.117 ppm2 2.211 CV 1 ASSI { 751} (( segid " " and resid 189 and name HN )) ( segid " " and resid 189 and name HG2%) 3.500 1.500 1.500 peak 751 spectrum 1 weight 0.11000E+01 volume 0.25775E-02 ppm1 8.115 ppm2 1.268 CV 1 OR { 751} (( segid " " and resid 189 and name HN )) (( segid " " and resid 189 and name HG1 )) ASSI { 752} (( segid " " and resid 189 and name HN )) (( segid " " and resid 192 and name HN )) 2.500 0.800 0.800 peak 752 spectrum 1 weight 0.11000E+01 volume 0.94484E-02 ppm1 8.130 ppm2 7.965 CV 1 ASSI { 753} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HA )) 2.600 0.800 0.800 peak 753 spectrum 1 weight 0.11000E+01 volume 0.90036E-02 ppm1 7.991 ppm2 4.195 CV 1 ASSI { 754} (( segid " " and resid 190 and name HN )) ( segid " " and resid 189 and name HG2%) 3.500 1.500 1.500 peak 754 spectrum 1 weight 0.11000E+01 volume 0.14365E-02 ppm1 7.994 ppm2 1.277 CV 1 OR { 754} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HG1 )) ASSI { 755} (( segid " " and resid 190 and name HN )) (( segid " " and resid 189 and name HN )) 2.100 0.500 0.500 peak 755 spectrum 1 weight 0.11000E+01 volume 0.48947E-02 ppm1 7.987 ppm2 8.146 CV 1 ASSI { 757} (( segid " " and resid 190 and name HN )) (( segid " " and resid 190 and name HA )) 2.400 0.700 0.700 peak 757 spectrum 1 weight 0.11000E+01 volume 0.60792E-02 ppm1 7.993 ppm2 4.162 CV 1 ASSI { 759} (( segid " " and resid 190 and name HN )) (( segid " " and resid 192 and name HN )) 2.800 2.800 3.200 peak 759 spectrum 1 weight 0.11000E+01 volume 0.12479E-01 ppm1 7.993 ppm2 7.970 CV 1 ASSI { 760} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HA )) 2.800 1.000 1.000 peak 760 spectrum 1 weight 0.11000E+01 volume 0.51926E-02 ppm1 8.155 ppm2 4.198 CV 1 ASSI { 761} (( segid " " and resid 191 and name HN )) ( segid " " and resid 189 and name HG2%) 3.500 1.500 1.500 peak 761 spectrum 1 weight 0.11000E+01 volume 0.31591E-02 ppm1 8.157 ppm2 1.283 CV 1 OR { 761} (( segid " " and resid 191 and name HN )) (( segid " " and resid 189 and name HG1 )) ASSI { 762} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HA )) 2.600 0.800 0.800 peak 762 spectrum 1 weight 0.11000E+01 volume 0.51926E-02 ppm1 8.154 ppm2 4.165 CV 1 ASSI { 763} (( segid " " and resid 191 and name HN )) (( segid " " and resid 190 and name HN )) 2.200 0.600 0.600 peak 763 spectrum 1 weight 0.11000E+01 volume 0.91393E-02 ppm1 8.155 ppm2 7.996 CV 1 ASSI { 764} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HA )) 2.400 0.700 0.700 peak 764 spectrum 1 weight 0.11000E+01 volume 0.64628E-02 ppm1 8.156 ppm2 4.387 CV 1 ASSI { 765} (( segid " " and resid 192 and name HN )) (( segid " " and resid 189 and name HA )) 2.800 1.000 1.000 peak 765 spectrum 1 weight 0.11000E+01 volume 0.37011E-02 ppm1 7.987 ppm2 4.198 CV 1 ASSI { 766} (( segid " " and resid 192 and name HN )) (( segid " " and resid 189 and name HB )) 3.200 3.200 2.800 peak 766 spectrum 1 weight 0.11000E+01 volume 0.56301E-02 ppm1 7.987 ppm2 4.270 CV 1 ASSI { 767} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HA )) 2.600 0.900 0.900 peak 767 spectrum 1 weight 0.11000E+01 volume 0.64109E-02 ppm1 7.985 ppm2 4.365 CV 1 ASSI { 768} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HN )) 3.000 1.100 1.100 peak 768 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 7.983 ppm2 8.172 CV 1 ASSI { 769} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HA )) 2.500 0.800 0.800 peak 769 spectrum 1 weight 0.11000E+01 volume 0.62558E-02 ppm1 7.986 ppm2 4.239 CV 1 ASSI { 770} (( segid " " and resid 192 and name HN )) ( segid " " and resid 192 and name HG2%) 2.600 0.900 0.900 peak 770 spectrum 1 weight 0.11000E+01 volume 0.40157E-02 ppm1 7.986 ppm2 1.279 CV 1 OR { 770} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HG1 )) ASSI { 771} (( segid " " and resid 192 and name HN )) (( segid " " and resid 193 and name HN )) 2.300 2.300 3.700 peak 771 spectrum 1 weight 0.11000E+01 volume 0.59829E-02 ppm1 7.986 ppm2 7.810 CV 1 ASSI { 772} (( segid " " and resid 193 and name HN )) (( segid " " and resid 189 and name HA )) 3.000 3.000 3.000 peak 772 spectrum 1 weight 0.11000E+01 volume 0.27743E-02 ppm1 7.789 ppm2 4.198 CV 1 ASSI { 773} (( segid " " and resid 193 and name HN )) (( segid " " and resid 192 and name HB )) 2.900 2.900 3.100 peak 773 spectrum 1 weight 0.11000E+01 volume 0.42256E-02 ppm1 7.788 ppm2 4.327 CV 1 ASSI { 774} (( segid " " and resid 193 and name HN )) (( segid " " and resid 192 and name HG1 )) 3.700 3.700 2.300 peak 774 spectrum 1 weight 0.11000E+01 volume 0.86999E-03 ppm1 7.788 ppm2 1.271 CV 1 OR { 774} (( segid " " and resid 193 and name HN )) ( segid " " and resid 192 and name HG2%) ASSI { 775} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HB2 )) 3.500 3.500 2.500 peak 775 spectrum 1 weight 0.11000E+01 volume 0.28736E-02 ppm1 7.788 ppm2 1.838 CV 1 ASSI { 776} (( segid " " and resid 193 and name HN )) (( segid " " and resid 193 and name HG1 )) 2.300 2.300 3.700 peak 776 spectrum 1 weight 0.11000E+01 volume 0.18009E-02 ppm1 7.791 ppm2 1.484 CV 1 ASSI { 778} (( segid " " and resid 193 and name HN )) (( segid " " and resid 195 and name HG2 )) 4.000 4.000 2.000 peak 778 spectrum 1 weight 0.11000E+01 volume 0.14936E-02 ppm1 7.789 ppm2 1.947 CV 1 ASSI { 779} (( segid " " and resid 194 and name HN )) (( segid " " and resid 191 and name HB )) 3.200 3.200 2.800 peak 779 spectrum 1 weight 0.11000E+01 volume 0.36900E-02 ppm1 8.065 ppm2 4.358 CV 1 ASSI { 780} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HB2 )) 4.700 4.700 1.300 peak 780 spectrum 1 weight 0.11000E+01 volume 0.33073E-03 ppm1 8.070 ppm2 1.831 CV 1 ASSI { 781} (( segid " " and resid 194 and name HN )) (( segid " " and resid 193 and name HN )) 2.300 0.700 0.700 peak 781 spectrum 1 weight 0.11000E+01 volume 0.48318E-02 ppm1 8.065 ppm2 7.775 CV 1 ASSI { 782} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA1 )) 2.900 1.000 1.000 peak 782 spectrum 1 weight 0.11000E+01 volume 0.43740E-02 ppm1 8.065 ppm2 4.100 CV 1 ASSI { 783} (( segid " " and resid 194 and name HN )) (( segid " " and resid 194 and name HA2 )) 2.400 0.700 0.700 peak 783 spectrum 1 weight 0.11000E+01 volume 0.62691E-02 ppm1 8.066 ppm2 3.836 CV 1 ASSI { 784} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HA )) 4.100 2.100 1.900 peak 784 spectrum 1 weight 0.11000E+01 volume 0.18326E-02 ppm1 8.067 ppm2 4.288 CV 1 ASSI { 785} (( segid " " and resid 194 and name HN )) (( segid " " and resid 195 and name HN )) 2.400 0.700 0.700 peak 785 spectrum 1 weight 0.11000E+01 volume 0.31902E-02 ppm1 8.065 ppm2 7.693 CV 1 ASSI { 786} (( segid " " and resid 195 and name HN )) (( segid " " and resid 192 and name HB )) 3.500 3.500 2.500 peak 786 spectrum 1 weight 0.11000E+01 volume 0.36052E-02 ppm1 7.703 ppm2 4.309 CV 1 ASSI { 787} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HD1 )) 2.300 0.700 0.700 peak 787 spectrum 1 weight 0.11000E+01 volume 0.70819E-02 ppm1 7.704 ppm2 1.711 CV 1 OR { 787} (( segid " " and resid 195 and name HN )) (( segid " " and resid 193 and name HD2 )) ASSI { 788} (( segid " " and resid 195 and name HN )) (( segid " " and resid 194 and name HA2 )) 3.300 1.300 1.300 peak 788 spectrum 1 weight 0.11000E+01 volume 0.23081E-02 ppm1 7.701 ppm2 3.825 CV 1 ASSI { 790} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HB1 )) 2.600 0.900 0.900 peak 790 spectrum 1 weight 0.11000E+01 volume 0.30138E-02 ppm1 7.705 ppm2 1.641 CV 1 ASSI { 791} (( segid " " and resid 195 and name HN )) (( segid " " and resid 195 and name HG1 )) 3.600 1.600 1.600 peak 791 spectrum 1 weight 0.11000E+01 volume 0.22200E-02 ppm1 7.703 ppm2 2.096 CV 1 ASSI { 792} (( segid " " and resid 195 and name HN )) (( segid " " and resid 196 and name HN )) 4.200 2.200 1.800 peak 792 spectrum 1 weight 0.11000E+01 volume 0.82417E-03 ppm1 7.705 ppm2 8.465 CV 1 ASSI { 793} (( segid " " and resid 196 and name HN )) (( segid " " and resid 193 and name HD1 )) 1.900 1.900 4.100 peak 793 spectrum 1 weight 0.11000E+01 volume 0.42578E-02 ppm1 8.447 ppm2 1.717 CV 1 OR { 793} (( segid " " and resid 196 and name HN )) (( segid " " and resid 193 and name HD2 )) ASSI { 794} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HA )) 2.200 0.600 0.600 peak 794 spectrum 1 weight 0.11000E+01 volume 0.11405E-01 ppm1 8.448 ppm2 4.268 CV 1 ASSI { 795} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HB1 )) 3.600 1.600 1.600 peak 795 spectrum 1 weight 0.11000E+01 volume 0.14665E-02 ppm1 8.451 ppm2 1.647 CV 1 ASSI { 797} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HA )) 4.700 4.700 1.300 peak 797 spectrum 1 weight 0.11000E+01 volume 0.13438E-03 ppm1 8.443 ppm2 4.732 CV 1 ASSI { 798} (( segid " " and resid 196 and name HN )) (( segid " " and resid 196 and name HB1 )) 3.400 1.500 1.500 peak 798 spectrum 1 weight 0.11000E+01 volume 0.38868E-02 ppm1 8.446 ppm2 2.655 CV 1 ASSI { 799} (( segid " " and resid 196 and name HN )) (( segid " " and resid 195 and name HG1 )) 3.200 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.12583E-02 ppm1 8.444 ppm2 2.106 CV 1 ASSI { 800} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HA )) 2.100 0.600 0.600 peak 800 spectrum 1 weight 0.11000E+01 volume 0.10631E-01 ppm1 8.573 ppm2 4.698 CV 1 ASSI { 801} (( segid " " and resid 197 and name HN )) (( segid " " and resid 196 and name HB1 )) 3.400 1.500 1.500 peak 801 spectrum 1 weight 0.11000E+01 volume 0.23037E-02 ppm1 8.574 ppm2 2.669 CV 1 ASSI { 802} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HA )) 2.900 2.900 3.100 peak 802 spectrum 1 weight 0.11000E+01 volume 0.18110E-02 ppm1 8.574 ppm2 5.202 CV 1 ASSI { 803} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB1 )) 2.800 1.000 1.000 peak 803 spectrum 1 weight 0.11000E+01 volume 0.27923E-02 ppm1 8.573 ppm2 3.206 CV 1 ASSI { 804} (( segid " " and resid 197 and name HN )) (( segid " " and resid 197 and name HB2 )) 3.100 1.200 1.200 peak 804 spectrum 1 weight 0.11000E+01 volume 0.43986E-02 ppm1 8.574 ppm2 2.990 CV 1 ASSI { 805} (( segid " " and resid 197 and name HN )) ( segid " " and resid 197 and name HD% ) 3.000 1.100 1.100 peak 805 spectrum 1 weight 0.11000E+01 volume 0.13080E-02 ppm1 8.572 ppm2 7.364 CV 1 ASSI { 807} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HA )) 2.200 2.200 3.800 peak 807 spectrum 1 weight 0.11000E+01 volume 0.48561E-02 ppm1 9.564 ppm2 5.208 CV 1 ASSI { 808} (( segid " " and resid 198 and name HN )) (( segid " " and resid 197 and name HB2 )) 4.600 2.600 1.400 peak 808 spectrum 1 weight 0.11000E+01 volume 0.43476E-03 ppm1 9.560 ppm2 2.990 CV 1 ASSI { 809} (( segid " " and resid 198 and name HN )) ( segid " " and resid 197 and name HD% ) 4.300 2.300 1.700 peak 809 spectrum 1 weight 0.11000E+01 volume 0.90527E-03 ppm1 9.564 ppm2 7.342 CV 1 ASSI { 811} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HA )) 3.100 1.200 1.200 peak 811 spectrum 1 weight 0.11000E+01 volume 0.11327E-02 ppm1 9.563 ppm2 4.623 CV 1 ASSI { 812} (( segid " " and resid 198 and name HN )) (( segid " " and resid 198 and name HB )) 3.700 1.700 1.700 peak 812 spectrum 1 weight 0.11000E+01 volume 0.49368E-03 ppm1 9.569 ppm2 4.791 CV 1 ASSI { 813} (( segid " " and resid 198 and name HN )) ( segid " " and resid 198 and name HG2%) 2.500 0.800 0.800 peak 813 spectrum 1 weight 0.11000E+01 volume 0.35379E-02 ppm1 9.565 ppm2 1.421 CV 1 ASSI { 814} (( segid " " and resid 198 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.600 2.600 3.400 peak 814 spectrum 1 weight 0.11000E+01 volume 0.11677E-02 ppm1 9.565 ppm2 2.505 CV 1 ASSI { 815} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HA )) 2.500 0.800 0.800 peak 815 spectrum 1 weight 0.11000E+01 volume 0.54293E-02 ppm1 9.066 ppm2 4.619 CV 1 ASSI { 816} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HB )) 3.100 1.200 1.200 peak 816 spectrum 1 weight 0.11000E+01 volume 0.45352E-02 ppm1 9.067 ppm2 4.806 CV 1 ASSI { 817} (( segid " " and resid 199 and name HN )) (( segid " " and resid 198 and name HG1 )) 3.200 1.300 1.300 peak 817 spectrum 1 weight 0.11000E+01 volume 0.15997E-02 ppm1 9.065 ppm2 1.423 CV 1 OR { 817} (( segid " " and resid 199 and name HN )) ( segid " " and resid 198 and name HG2%) ASSI { 818} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HA )) 2.700 0.900 0.900 peak 818 spectrum 1 weight 0.11000E+01 volume 0.25706E-02 ppm1 9.067 ppm2 4.063 CV 1 ASSI { 819} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB2 )) 2.500 2.500 3.500 peak 819 spectrum 1 weight 0.11000E+01 volume 0.50761E-02 ppm1 9.067 ppm2 2.107 CV 1 OR { 819} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HB1 )) ASSI { 820} (( segid " " and resid 199 and name HN )) (( segid " " and resid 199 and name HG1 )) 4.400 2.400 1.600 peak 820 spectrum 1 weight 0.11000E+01 volume 0.10696E-02 ppm1 9.067 ppm2 2.396 CV 1 ASSI { 821} (( segid " " and resid 199 and name HN )) (( segid " " and resid 200 and name HN )) 2.900 1.100 1.100 peak 821 spectrum 1 weight 0.11000E+01 volume 0.18130E-02 ppm1 9.066 ppm2 7.929 CV 1 ASSI { 822} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HA )) 4.400 2.400 1.600 peak 822 spectrum 1 weight 0.11000E+01 volume 0.55783E-03 ppm1 7.914 ppm2 4.629 CV 1 ASSI { 823} (( segid " " and resid 200 and name HN )) (( segid " " and resid 198 and name HB )) 4.300 2.300 1.700 peak 823 spectrum 1 weight 0.11000E+01 volume 0.17146E-02 ppm1 7.916 ppm2 4.798 CV 1 ASSI { 824} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HB1 )) 2.900 2.900 3.100 peak 824 spectrum 1 weight 0.11000E+01 volume 0.19467E-02 ppm1 7.914 ppm2 2.098 CV 1 OR { 824} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HB2 )) ASSI { 826} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HA )) 2.400 0.700 0.700 peak 826 spectrum 1 weight 0.11000E+01 volume 0.51488E-02 ppm1 7.914 ppm2 3.771 CV 1 ASSI { 827} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HB )) 2.400 0.700 0.700 peak 827 spectrum 1 weight 0.11000E+01 volume 0.51488E-02 ppm1 7.915 ppm2 3.739 CV 1 ASSI { 828} (( segid " " and resid 200 and name HN )) (( segid " " and resid 200 and name HG1 )) 3.400 1.400 1.400 peak 828 spectrum 1 weight 0.11000E+01 volume 0.99723E-03 ppm1 7.915 ppm2 0.646 CV 1 OR { 828} (( segid " " and resid 200 and name HN )) ( segid " " and resid 200 and name HG2%) ASSI { 830} (( segid " " and resid 200 and name HN )) (( segid " " and resid 202 and name HN )) 4.100 2.100 1.900 peak 830 spectrum 1 weight 0.11000E+01 volume 0.36208E-03 ppm1 7.915 ppm2 8.069 CV 1 ASSI { 831} (( segid " " and resid 200 and name HN )) (( segid " " and resid 199 and name HA )) 3.500 1.500 1.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.74659E-03 ppm1 7.913 ppm2 4.052 CV 1 ASSI { 832} (( segid " " and resid 200 and name HN )) (( segid " " and resid 203 and name HG2 )) 4.500 2.600 1.500 peak 832 spectrum 1 weight 0.11000E+01 volume 0.44855E-03 ppm1 7.917 ppm2 1.420 CV 1 ASSI { 833} (( segid " " and resid 201 and name HN )) (( segid " " and resid 197 and name HA )) 5.700 5.700 0.300 peak 833 spectrum 1 weight 0.11000E+01 volume 0.23000E-03 ppm1 7.480 ppm2 5.221 CV 1 ASSI { 834} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HB )) 4.500 2.600 1.500 peak 834 spectrum 1 weight 0.11000E+01 volume 0.84634E-03 ppm1 7.482 ppm2 4.792 CV 1 ASSI { 835} (( segid " " and resid 201 and name HN )) (( segid " " and resid 198 and name HN )) 3.500 1.500 1.500 peak 835 spectrum 1 weight 0.11000E+01 volume 0.59083E-03 ppm1 7.481 ppm2 9.585 CV 1 ASSI { 836} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HA )) 3.300 1.400 1.400 peak 836 spectrum 1 weight 0.11000E+01 volume 0.11139E-02 ppm1 7.483 ppm2 3.790 CV 1 ASSI { 837} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HB )) 2.800 1.000 1.000 peak 837 spectrum 1 weight 0.11000E+01 volume 0.26942E-02 ppm1 7.479 ppm2 3.724 CV 1 ASSI { 838} (( segid " " and resid 201 and name HN )) (( segid " " and resid 200 and name HN )) 2.700 0.900 0.900 peak 838 spectrum 1 weight 0.11000E+01 volume 0.23363E-02 ppm1 7.481 ppm2 7.926 CV 1 ASSI { 839} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HA )) 2.800 1.000 1.000 peak 839 spectrum 1 weight 0.11000E+01 volume 0.14876E-02 ppm1 7.479 ppm2 4.510 CV 1 ASSI { 840} (( segid " " and resid 201 and name HN )) (( segid " " and resid 201 and name HB2 )) 2.900 2.900 3.100 peak 840 spectrum 1 weight 0.11000E+01 volume 0.12827E-02 ppm1 7.478 ppm2 2.503 CV 1 ASSI { 841} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HB )) 5.400 3.600 0.600 peak 841 spectrum 1 weight 0.11000E+01 volume 0.34549E-03 ppm1 7.485 ppm2 1.963 CV 1 ASSI { 842} (( segid " " and resid 201 and name HN )) (( segid " " and resid 202 and name HN )) 2.600 0.800 0.800 peak 842 spectrum 1 weight 0.11000E+01 volume 0.18270E-02 ppm1 7.482 ppm2 8.082 CV 1 ASSI { 843} (( segid " " and resid 201 and name HN )) ( segid " " and resid 204 and name HD1%) 4.200 2.200 1.800 peak 843 spectrum 1 weight 0.11000E+01 volume 0.10108E-02 ppm1 7.480 ppm2 0.647 CV 1 ASSI { 844} (( segid " " and resid 201 and name HN )) (( segid " " and resid 204 and name HN )) 4.000 2.000 2.000 peak 844 spectrum 1 weight 0.11000E+01 volume 0.84817E-03 ppm1 7.467 ppm2 7.975 CV 1 ASSI { 845} (( segid " " and resid 202 and name HN )) (( segid " " and resid 202 and name HG12)) 2.100 2.100 3.900 peak 845 spectrum 1 weight 0.11000E+01 volume 0.78475E-03 ppm1 8.077 ppm2 1.273 CV 1 ASSI { 846} (( segid " " and resid 202 and name HN )) (( segid " " and resid 203 and name HN )) 2.300 0.700 0.700 peak 846 spectrum 1 weight 0.11000E+01 volume 0.52255E-02 ppm1 8.069 ppm2 7.758 CV 1 ASSI { 847} (( segid " " and resid 202 and name HN )) ( segid " " and resid 204 and name HG2%) 4.300 2.300 1.700 peak 847 spectrum 1 weight 0.11000E+01 volume 0.61400E-03 ppm1 8.078 ppm2 0.801 CV 1 ASSI { 850} (( segid " " and resid 203 and name HN )) (( segid " " and resid 202 and name HG11)) 3.500 1.500 1.500 peak 850 spectrum 1 weight 0.11000E+01 volume 0.28630E-02 ppm1 7.735 ppm2 1.551 CV 1 ASSI { 852} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HB1 )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.11000E+01 volume 0.11524E-02 ppm1 7.717 ppm2 1.893 CV 1 ASSI { 853} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HB2 )) 3.000 1.100 1.100 peak 853 spectrum 1 weight 0.11000E+01 volume 0.48004E-02 ppm1 7.717 ppm2 1.641 CV 1 ASSI { 854} (( segid " " and resid 203 and name HN )) (( segid " " and resid 203 and name HG2 )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.11000E+01 volume 0.49047E-02 ppm1 7.711 ppm2 1.407 CV 1 ASSI { 855} (( segid " " and resid 203 and name HN )) (( segid " " and resid 204 and name HB )) 3.400 3.400 2.600 peak 855 spectrum 1 weight 0.11000E+01 volume 0.63970E-02 ppm1 7.751 ppm2 1.939 CV 1 ASSI { 856} (( segid " " and resid 203 and name HN )) ( segid " " and resid 204 and name HG2%) 4.200 2.300 1.800 peak 856 spectrum 1 weight 0.11000E+01 volume 0.18039E-02 ppm1 7.724 ppm2 0.775 CV 1 ASSI { 857} (( segid " " and resid 203 and name HN )) (( segid " " and resid 206 and name HB2 )) 2.900 2.900 3.100 peak 857 spectrum 1 weight 0.11000E+01 volume 0.44734E-02 ppm1 7.753 ppm2 1.965 CV 1 ASSI { 858} (( segid " " and resid 204 and name HN )) (( segid " " and resid 201 and name HA )) 5.300 3.600 0.700 peak 858 spectrum 1 weight 0.11000E+01 volume 0.21276E-03 ppm1 7.976 ppm2 4.519 CV 1 ASSI { 859} (( segid " " and resid 204 and name HN )) (( segid " " and resid 202 and name HB )) 3.600 1.600 1.600 peak 859 spectrum 1 weight 0.11000E+01 volume 0.35499E-02 ppm1 7.975 ppm2 1.947 CV 1 ASSI { 860} (( segid " " and resid 204 and name HN )) ( segid " " and resid 202 and name HD1%) 3.800 3.800 2.200 peak 860 spectrum 1 weight 0.11000E+01 volume 0.24506E-02 ppm1 7.976 ppm2 0.707 CV 1 ASSI { 861} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HA )) 4.000 2.000 2.000 peak 861 spectrum 1 weight 0.11000E+01 volume 0.42126E-03 ppm1 7.969 ppm2 4.050 CV 1 ASSI { 862} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HB1 )) 3.200 1.300 1.300 peak 862 spectrum 1 weight 0.11000E+01 volume 0.48016E-02 ppm1 7.980 ppm2 1.895 CV 1 ASSI { 863} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HG1 )) 1.800 0.400 0.400 peak 863 spectrum 1 weight 0.11000E+01 volume 0.24530E-02 ppm1 7.979 ppm2 1.572 CV 1 ASSI { 864} (( segid " " and resid 204 and name HN )) (( segid " " and resid 203 and name HN )) 2.900 1.100 1.100 peak 864 spectrum 1 weight 0.11000E+01 volume 0.24257E-02 ppm1 7.976 ppm2 7.756 CV 1 ASSI { 865} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HA )) 2.700 0.900 0.900 peak 865 spectrum 1 weight 0.11000E+01 volume 0.10646E-02 ppm1 7.981 ppm2 3.605 CV 1 ASSI { 866} (( segid " " and resid 204 and name HN )) ( segid " " and resid 204 and name HD1%) 3.700 1.800 1.800 peak 866 spectrum 1 weight 0.11000E+01 volume 0.18321E-02 ppm1 7.994 ppm2 0.676 CV 1 ASSI { 867} (( segid " " and resid 204 and name HN )) (( segid " " and resid 204 and name HG12)) 2.200 2.200 3.800 peak 867 spectrum 1 weight 0.11000E+01 volume 0.11439E-02 ppm1 7.985 ppm2 0.784 CV 1 ASSI { 868} (( segid " " and resid 204 and name HN )) ( segid " " and resid 204 and name HG2%) 3.400 1.400 1.400 peak 868 spectrum 1 weight 0.11000E+01 volume 0.56683E-03 ppm1 7.981 ppm2 0.816 CV 1 ASSI { 869} (( segid " " and resid 204 and name HN )) (( segid " " and resid 205 and name HN )) 3.200 1.300 1.300 peak 869 spectrum 1 weight 0.11000E+01 volume 0.16191E-02 ppm1 7.979 ppm2 8.826 CV 1 ASSI { 870} (( segid " " and resid 205 and name HN )) (( segid " " and resid 202 and name HA )) 3.100 3.100 2.900 peak 870 spectrum 1 weight 0.11000E+01 volume 0.22369E-02 ppm1 8.814 ppm2 3.476 CV 1 ASSI { 871} (( segid " " and resid 205 and name HN )) ( segid " " and resid 202 and name HD1%) 4.400 2.400 1.600 peak 871 spectrum 1 weight 0.11000E+01 volume 0.75877E-03 ppm1 8.809 ppm2 0.751 CV 1 ASSI { 872} (( segid " " and resid 205 and name HN )) (( segid " " and resid 203 and name HG1 )) 5.100 3.300 0.900 peak 872 spectrum 1 weight 0.11000E+01 volume 0.52268E-03 ppm1 8.814 ppm2 1.574 CV 1 ASSI { 873} (( segid " " and resid 205 and name HN )) (( segid " " and resid 204 and name HA )) 3.700 1.700 1.700 peak 873 spectrum 1 weight 0.11000E+01 volume 0.47318E-03 ppm1 8.812 ppm2 3.629 CV 1 ASSI { 875} (( segid " " and resid 205 and name HN )) (( segid " " and resid 206 and name HB2 )) 2.900 2.900 3.100 peak 875 spectrum 1 weight 0.11000E+01 volume 0.44977E-02 ppm1 8.814 ppm2 1.966 CV 1 ASSI { 877} (( segid " " and resid 205 and name HN )) (( segid " " and resid 207 and name HG2 )) 6.000 6.000 0.000 peak 877 spectrum 1 weight 0.11000E+01 volume 0.92247E-05 ppm1 8.815 ppm2 1.794 CV 1 ASSI { 878} (( segid " " and resid 205 and name HN )) (( segid " " and resid 207 and name HN )) 4.400 4.400 1.600 peak 878 spectrum 1 weight 0.11000E+01 volume 0.13772E-03 ppm1 8.978 ppm2 7.222 CV 1 ASSI { 879} (( segid " " and resid 205 and name HN )) (( segid " " and resid 208 and name HB )) 3.200 3.200 2.800 peak 879 spectrum 1 weight 0.11000E+01 volume 0.20312E-02 ppm1 8.815 ppm2 2.109 CV 1 ASSI { 880} (( segid " " and resid 205 and name HN )) ( segid " " and resid 208 and name HG2%) 4.600 2.600 1.400 peak 880 spectrum 1 weight 0.11000E+01 volume 0.19243E-03 ppm1 8.802 ppm2 1.007 CV 1 ASSI { 882} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HA )) 4.300 2.300 1.700 peak 882 spectrum 1 weight 0.11000E+01 volume 0.24155E-03 ppm1 8.530 ppm2 4.042 CV 1 ASSI { 883} (( segid " " and resid 206 and name HN )) (( segid " " and resid 203 and name HG1 )) 3.700 3.700 2.300 peak 883 spectrum 1 weight 0.11000E+01 volume 0.16860E-02 ppm1 8.510 ppm2 1.562 CV 1 ASSI { 884} (( segid " " and resid 206 and name HN )) (( segid " " and resid 204 and name HA )) 3.000 3.000 3.000 peak 884 spectrum 1 weight 0.11000E+01 volume 0.22649E-02 ppm1 8.517 ppm2 3.630 CV 1 ASSI { 885} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HA )) 3.900 1.900 1.900 peak 885 spectrum 1 weight 0.11000E+01 volume 0.45869E-03 ppm1 8.519 ppm2 3.459 CV 1 ASSI { 887} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HB1 )) 2.300 2.300 3.700 peak 887 spectrum 1 weight 0.11000E+01 volume 0.39449E-02 ppm1 8.516 ppm2 2.009 CV 1 ASSI { 888} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HG1 )) 4.100 2.100 1.900 peak 888 spectrum 1 weight 0.11000E+01 volume 0.13762E-02 ppm1 8.515 ppm2 2.091 CV 1 ASSI { 889} (( segid " " and resid 206 and name HN )) (( segid " " and resid 205 and name HN )) 2.600 0.900 0.900 peak 889 spectrum 1 weight 0.11000E+01 volume 0.17161E-02 ppm1 8.516 ppm2 8.829 CV 1 ASSI { 890} (( segid " " and resid 206 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.000 1.200 1.200 peak 890 spectrum 1 weight 0.11000E+01 volume 0.46500E-02 ppm1 8.517 ppm2 2.211 CV 1 ASSI { 892} (( segid " " and resid 206 and name HN )) ( segid " " and resid 208 and name HG2%) 4.200 2.300 1.800 peak 892 spectrum 1 weight 0.11000E+01 volume 0.45023E-03 ppm1 8.521 ppm2 1.031 CV 1 ASSI { 893} (( segid " " and resid 206 and name HN )) ( segid " " and resid 209 and name HG1%) 5.500 3.800 0.500 peak 893 spectrum 1 weight 0.11000E+01 volume 0.13336E-03 ppm1 8.524 ppm2 0.957 CV 1 ASSI { 895} (( segid " " and resid 207 and name HE )) (( segid " " and resid 203 and name HB1 )) 5.400 5.400 0.600 peak 895 spectrum 1 weight 0.11000E+01 volume 0.54700E-03 ppm1 7.313 ppm2 1.864 CV 1 ASSI { 896} (( segid " " and resid 207 and name HE )) (( segid " " and resid 207 and name HD2 )) 3.100 3.100 2.900 peak 896 spectrum 1 weight 0.11000E+01 volume 0.12849E-02 ppm1 7.310 ppm2 3.202 CV 1 ASSI { 897} (( segid " " and resid 207 and name HE )) (( segid " " and resid 211 and name HE22)) 4.300 4.300 1.700 peak 897 spectrum 1 weight 0.11000E+01 volume 0.48333E-03 ppm1 7.312 ppm2 6.849 CV 1 ASSI { 899} (( segid " " and resid 207 and name HN )) (( segid " " and resid 204 and name HA )) 3.700 1.700 1.700 peak 899 spectrum 1 weight 0.11000E+01 volume 0.12470E-02 ppm1 7.214 ppm2 3.621 CV 1 ASSI { 900} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HA )) 4.900 3.000 1.100 peak 900 spectrum 1 weight 0.11000E+01 volume 0.13620E-03 ppm1 7.211 ppm2 3.464 CV 1 ASSI { 901} (( segid " " and resid 207 and name HN )) (( segid " " and resid 205 and name HG1 )) 4.100 4.100 1.900 peak 901 spectrum 1 weight 0.11000E+01 volume 0.18794E-02 ppm1 7.217 ppm2 2.081 CV 1 ASSI { 902} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.800 1.800 1.800 peak 902 spectrum 1 weight 0.11000E+01 volume 0.21133E-02 ppm1 7.215 ppm2 2.211 CV 1 ASSI { 903} (( segid " " and resid 207 and name HN )) (( segid " " and resid 206 and name HN )) 2.800 1.000 1.000 peak 903 spectrum 1 weight 0.11000E+01 volume 0.16612E-02 ppm1 7.214 ppm2 8.531 CV 1 ASSI { 904} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HA )) 3.000 1.100 1.100 peak 904 spectrum 1 weight 0.11000E+01 volume 0.18306E-02 ppm1 7.215 ppm2 4.164 CV 1 ASSI { 905} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HB1 )) 2.400 0.700 0.700 peak 905 spectrum 1 weight 0.11000E+01 volume 0.28604E-02 ppm1 7.214 ppm2 1.918 CV 1 ASSI { 906} (( segid " " and resid 207 and name HN )) (( segid " " and resid 207 and name HG2 )) 3.400 1.500 1.500 peak 906 spectrum 1 weight 0.11000E+01 volume 0.66711E-03 ppm1 7.214 ppm2 1.788 CV 1 ASSI { 907} (( segid " " and resid 207 and name HN )) ( segid " " and resid 208 and name HG2%) 4.600 2.600 1.400 peak 907 spectrum 1 weight 0.11000E+01 volume 0.62074E-03 ppm1 7.218 ppm2 1.014 CV 1 ASSI { 908} (( segid " " and resid 207 and name HN )) (( segid " " and resid 208 and name HN )) 2.700 0.900 0.900 peak 908 spectrum 1 weight 0.11000E+01 volume 0.24818E-02 ppm1 7.214 ppm2 8.281 CV 1 ASSI { 909} (( segid " " and resid 207 and name HN )) ( segid " " and resid 209 and name HG1%) 5.000 3.100 1.000 peak 909 spectrum 1 weight 0.11000E+01 volume 0.19033E-03 ppm1 7.205 ppm2 0.965 CV 1 ASSI { 911} (( segid " " and resid 208 and name HN )) (( segid " " and resid 138 and name HG11)) 6.000 6.000 0.000 peak 911 spectrum 1 weight 0.11000E+01 volume 0.16549E-03 ppm1 8.265 ppm2 0.716 CV 1 ASSI { 912} (( segid " " and resid 208 and name HN )) (( segid " " and resid 204 and name HB )) 3.700 1.700 1.700 peak 912 spectrum 1 weight 0.11000E+01 volume 0.12487E-02 ppm1 8.267 ppm2 1.935 CV 1 ASSI { 914} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HG2 )) 2.800 2.800 3.200 peak 914 spectrum 1 weight 0.11000E+01 volume 0.42263E-02 ppm1 8.274 ppm2 2.099 CV 1 OR { 914} (( segid " " and resid 208 and name HN )) (( segid " " and resid 205 and name HG1 )) ASSI { 915} (( segid " " and resid 208 and name HN )) (( segid " " and resid 206 and name HA )) 3.800 1.800 1.800 peak 915 spectrum 1 weight 0.11000E+01 volume 0.46420E-03 ppm1 8.274 ppm2 3.635 CV 1 ASSI { 916} (( segid " " and resid 208 and name HN )) (( segid " " and resid 207 and name HA )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.11000E+01 volume 0.28522E-03 ppm1 8.262 ppm2 4.171 CV 1 ASSI { 918} (( segid " " and resid 208 and name HN )) ( segid " " and resid 208 and name HG1%) 4.200 2.200 1.800 peak 918 spectrum 1 weight 0.11000E+01 volume 0.97013E-03 ppm1 8.265 ppm2 1.100 CV 1 ASSI { 919} (( segid " " and resid 208 and name HN )) ( segid " " and resid 208 and name HG2%) 2.300 0.700 0.700 peak 919 spectrum 1 weight 0.11000E+01 volume 0.41360E-02 ppm1 8.269 ppm2 1.028 CV 1 ASSI { 920} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HB )) 3.800 1.800 1.800 peak 920 spectrum 1 weight 0.11000E+01 volume 0.13492E-02 ppm1 8.269 ppm2 2.181 CV 1 ASSI { 922} (( segid " " and resid 208 and name HN )) (( segid " " and resid 209 and name HN )) 2.700 0.900 0.900 peak 922 spectrum 1 weight 0.11000E+01 volume 0.19712E-02 ppm1 8.269 ppm2 9.009 CV 1 ASSI { 923} (( segid " " and resid 208 and name HN )) (( segid " " and resid 210 and name HN )) 4.200 2.200 1.800 peak 923 spectrum 1 weight 0.11000E+01 volume 0.22298E-03 ppm1 8.263 ppm2 8.159 CV 1 ASSI { 924} (( segid " " and resid 209 and name HN )) (( segid " " and resid 205 and name HA )) 3.500 1.500 1.500 peak 924 spectrum 1 weight 0.11000E+01 volume 0.81129E-03 ppm1 8.998 ppm2 3.434 CV 1 ASSI { 925} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HA )) 3.000 1.200 1.200 peak 925 spectrum 1 weight 0.11000E+01 volume 0.17662E-02 ppm1 8.999 ppm2 3.636 CV 1 ASSI { 926} (( segid " " and resid 209 and name HN )) (( segid " " and resid 206 and name HB1 )) 3.200 3.200 2.800 peak 926 spectrum 1 weight 0.11000E+01 volume 0.37967E-02 ppm1 8.995 ppm2 2.199 CV 1 ASSI { 927} (( segid " " and resid 209 and name HN )) (( segid " " and resid 207 and name HB1 )) 5.000 3.100 1.000 peak 927 spectrum 1 weight 0.11000E+01 volume 0.35436E-03 ppm1 8.995 ppm2 1.929 CV 1 ASSI { 928} (( segid " " and resid 209 and name HN )) (( segid " " and resid 207 and name HN )) 4.400 2.400 1.600 peak 928 spectrum 1 weight 0.11000E+01 volume 0.26979E-03 ppm1 8.994 ppm2 7.222 CV 1 ASSI { 929} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HA )) 3.600 3.600 2.400 peak 929 spectrum 1 weight 0.11000E+01 volume 0.83530E-03 ppm1 8.996 ppm2 3.479 CV 1 ASSI { 930} (( segid " " and resid 209 and name HN )) (( segid " " and resid 208 and name HB )) 2.600 0.800 0.800 peak 930 spectrum 1 weight 0.11000E+01 volume 0.25005E-02 ppm1 8.995 ppm2 2.109 CV 1 ASSI { 931} (( segid " " and resid 209 and name HN )) ( segid " " and resid 208 and name HG1%) 3.700 1.800 1.800 peak 931 spectrum 1 weight 0.11000E+01 volume 0.11027E-02 ppm1 8.995 ppm2 1.100 CV 1 ASSI { 932} (( segid " " and resid 209 and name HN )) ( segid " " and resid 208 and name HG2%) 3.800 3.800 2.200 peak 932 spectrum 1 weight 0.11000E+01 volume 0.17394E-02 ppm1 8.976 ppm2 1.000 CV 1 ASSI { 934} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG1%) 2.800 1.000 1.000 peak 934 spectrum 1 weight 0.11000E+01 volume 0.37132E-02 ppm1 8.997 ppm2 0.977 CV 1 ASSI { 935} (( segid " " and resid 209 and name HN )) ( segid " " and resid 209 and name HG2%) 3.700 1.700 1.700 peak 935 spectrum 1 weight 0.11000E+01 volume 0.10622E-02 ppm1 9.000 ppm2 1.218 CV 1 ASSI { 936} (( segid " " and resid 209 and name HN )) (( segid " " and resid 210 and name HB1 )) 3.300 1.300 1.300 peak 936 spectrum 1 weight 0.11000E+01 volume 0.37967E-02 ppm1 8.996 ppm2 2.163 CV 1 ASSI { 938} (( segid " " and resid 209 and name HN )) (( segid " " and resid 211 and name HN )) 4.500 2.500 1.500 peak 938 spectrum 1 weight 0.11000E+01 volume 0.27702E-03 ppm1 9.000 ppm2 7.222 CV 1 ASSI { 939} (( segid " " and resid 210 and name HN )) (( segid " " and resid 207 and name HA )) 3.800 1.800 1.800 peak 939 spectrum 1 weight 0.11000E+01 volume 0.66350E-03 ppm1 8.138 ppm2 4.145 CV 1 ASSI { 940} (( segid " " and resid 210 and name HN )) (( segid " " and resid 207 and name HN )) 3.400 1.400 1.400 peak 940 spectrum 1 weight 0.11000E+01 volume 0.12429E-02 ppm1 8.143 ppm2 7.232 CV 1 ASSI { 941} (( segid " " and resid 210 and name HN )) (( segid " " and resid 208 and name HA )) 3.400 1.500 1.500 peak 941 spectrum 1 weight 0.11000E+01 volume 0.10794E-02 ppm1 8.144 ppm2 3.518 CV 1 ASSI { 942} (( segid " " and resid 210 and name HN )) ( segid " " and resid 208 and name HG2%) 3.800 1.800 1.800 peak 942 spectrum 1 weight 0.11000E+01 volume 0.16596E-02 ppm1 8.141 ppm2 1.029 CV 1 ASSI { 943} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HA )) 3.500 1.500 1.500 peak 943 spectrum 1 weight 0.11000E+01 volume 0.83463E-03 ppm1 8.155 ppm2 3.650 CV 1 ASSI { 944} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HG1%) 3.000 1.100 1.100 peak 944 spectrum 1 weight 0.11000E+01 volume 0.14881E-02 ppm1 8.134 ppm2 0.948 CV 1 ASSI { 945} (( segid " " and resid 210 and name HN )) ( segid " " and resid 209 and name HG2%) 4.100 2.100 1.900 peak 945 spectrum 1 weight 0.11000E+01 volume 0.59202E-03 ppm1 8.142 ppm2 1.211 CV 1 ASSI { 946} (( segid " " and resid 210 and name HN )) (( segid " " and resid 209 and name HN )) 2.900 1.100 1.100 peak 946 spectrum 1 weight 0.11000E+01 volume 0.14082E-02 ppm1 8.142 ppm2 9.007 CV 1 ASSI { 947} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HA )) 2.900 1.100 1.100 peak 947 spectrum 1 weight 0.11000E+01 volume 0.18405E-02 ppm1 8.137 ppm2 3.570 CV 1 ASSI { 948} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HB1 )) 2.100 0.500 0.500 peak 948 spectrum 1 weight 0.11000E+01 volume 0.66889E-02 ppm1 8.140 ppm2 2.167 CV 1 ASSI { 949} (( segid " " and resid 210 and name HN )) (( segid " " and resid 210 and name HG1 )) 3.000 1.200 1.200 peak 949 spectrum 1 weight 0.11000E+01 volume 0.59243E-02 ppm1 8.137 ppm2 2.127 CV 1 ASSI { 950} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HG2 )) 5.300 5.300 0.700 peak 950 spectrum 1 weight 0.11000E+01 volume 0.18321E-03 ppm1 8.134 ppm2 2.370 CV 1 ASSI { 951} (( segid " " and resid 210 and name HN )) (( segid " " and resid 211 and name HN )) 3.000 1.200 1.200 peak 951 spectrum 1 weight 0.11000E+01 volume 0.11383E-02 ppm1 8.132 ppm2 7.220 CV 1 ASSI { 952} (( segid " " and resid 211 and name HN )) (( segid " " and resid 207 and name HA )) 4.700 2.800 1.300 peak 952 spectrum 1 weight 0.11000E+01 volume 0.17478E-03 ppm1 7.206 ppm2 4.144 CV 1 ASSI { 953} (( segid " " and resid 211 and name HN )) (( segid " " and resid 208 and name HA )) 3.700 1.700 1.700 peak 953 spectrum 1 weight 0.11000E+01 volume 0.74319E-03 ppm1 7.214 ppm2 3.540 CV 1 ASSI { 954} (( segid " " and resid 211 and name HN )) ( segid " " and resid 208 and name HG2%) 5.000 3.100 1.000 peak 954 spectrum 1 weight 0.11000E+01 volume 0.31960E-03 ppm1 7.196 ppm2 1.041 CV 1 ASSI { 955} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HG1 )) 2.400 0.700 0.700 peak 955 spectrum 1 weight 0.11000E+01 volume 0.53143E-02 ppm1 7.212 ppm2 2.143 CV 1 ASSI { 956} (( segid " " and resid 211 and name HN )) (( segid " " and resid 210 and name HG2 )) 3.400 1.400 1.400 peak 956 spectrum 1 weight 0.11000E+01 volume 0.78322E-03 ppm1 7.213 ppm2 2.343 CV 1 ASSI { 958} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HA )) 3.000 1.100 1.100 peak 958 spectrum 1 weight 0.11000E+01 volume 0.14404E-02 ppm1 7.213 ppm2 3.967 CV 1 ASSI { 959} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HB2 )) 3.500 1.500 1.500 peak 959 spectrum 1 weight 0.11000E+01 volume 0.23918E-02 ppm1 7.206 ppm2 2.217 CV 1 ASSI { 960} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG1 )) 3.000 1.100 1.100 peak 960 spectrum 1 weight 0.11000E+01 volume 0.12127E-02 ppm1 7.213 ppm2 2.487 CV 1 ASSI { 961} (( segid " " and resid 211 and name HN )) (( segid " " and resid 211 and name HG2 )) 3.000 1.100 1.100 peak 961 spectrum 1 weight 0.11000E+01 volume 0.18876E-02 ppm1 7.214 ppm2 2.419 CV 1 ASSI { 962} (( segid " " and resid 211 and name HN )) ( segid " " and resid 212 and name HE% ) 3.500 3.500 2.500 peak 962 spectrum 1 weight 0.11000E+01 volume 0.46756E-02 ppm1 7.213 ppm2 2.181 CV 1 ASSI { 963} (( segid " " and resid 211 and name HN )) (( segid " " and resid 212 and name HG2 )) 5.900 5.900 0.100 peak 963 spectrum 1 weight 0.11000E+01 volume 0.14891E-03 ppm1 7.213 ppm2 2.505 CV 1 ASSI { 965} (( segid " " and resid 211 and name HN )) (( segid " " and resid 213 and name HB1 )) 4.100 2.100 1.900 peak 965 spectrum 1 weight 0.11000E+01 volume 0.68509E-03 ppm1 7.205 ppm2 3.546 CV 1 ASSI { 966} (( segid " " and resid 212 and name HN )) (( segid " " and resid 209 and name HA )) 3.500 1.500 1.500 peak 966 spectrum 1 weight 0.11000E+01 volume 0.79758E-03 ppm1 7.975 ppm2 3.651 CV 1 ASSI { 967} (( segid " " and resid 212 and name HN )) ( segid " " and resid 209 and name HG1%) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.11000E+01 volume 0.62218E-03 ppm1 7.979 ppm2 0.967 CV 1 ASSI { 968} (( segid " " and resid 212 and name HN )) (( segid " " and resid 210 and name HB1 )) 3.300 3.300 2.700 peak 968 spectrum 1 weight 0.11000E+01 volume 0.38983E-02 ppm1 7.978 ppm2 2.162 CV 1 ASSI { 969} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HA )) 3.900 1.900 1.900 peak 969 spectrum 1 weight 0.11000E+01 volume 0.45545E-03 ppm1 7.975 ppm2 3.964 CV 1 ASSI { 970} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HB2 )) 3.500 1.500 1.500 peak 970 spectrum 1 weight 0.11000E+01 volume 0.19416E-02 ppm1 7.981 ppm2 2.235 CV 1 ASSI { 971} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HG1 )) 2.800 1.000 1.000 peak 971 spectrum 1 weight 0.11000E+01 volume 0.17000E-02 ppm1 7.979 ppm2 2.460 CV 1 ASSI { 972} (( segid " " and resid 212 and name HN )) (( segid " " and resid 211 and name HN )) 2.900 1.000 1.000 peak 972 spectrum 1 weight 0.11000E+01 volume 0.13180E-02 ppm1 7.979 ppm2 7.230 CV 1 ASSI { 973} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HA )) 3.000 1.100 1.100 peak 973 spectrum 1 weight 0.11000E+01 volume 0.11218E-02 ppm1 7.977 ppm2 4.131 CV 1 ASSI { 974} (( segid " " and resid 212 and name HN )) (( segid " " and resid 212 and name HG1 )) 3.300 1.400 1.400 peak 974 spectrum 1 weight 0.11000E+01 volume 0.14670E-02 ppm1 7.978 ppm2 2.752 CV 1 ASSI { 975} (( segid " " and resid 212 and name HN )) (( segid " " and resid 213 and name HB1 )) 4.700 2.700 1.300 peak 975 spectrum 1 weight 0.11000E+01 volume 0.41371E-03 ppm1 7.978 ppm2 3.561 CV 1 ASSI { 976} (( segid " " and resid 212 and name HN )) (( segid " " and resid 213 and name HN )) 2.800 1.000 1.000 peak 976 spectrum 1 weight 0.11000E+01 volume 0.14484E-02 ppm1 7.979 ppm2 9.253 CV 1 ASSI { 977} (( segid " " and resid 212 and name HN )) (( segid " " and resid 215 and name HN )) 4.200 2.200 1.800 peak 977 spectrum 1 weight 0.11000E+01 volume 0.48068E-03 ppm1 7.975 ppm2 8.087 CV 1 ASSI { 978} (( segid " " and resid 213 and name HN )) ( segid " " and resid 160 and name HG2%) 4.700 2.700 1.300 peak 978 spectrum 1 weight 0.11000E+01 volume 0.27923E-03 ppm1 9.241 ppm2 0.772 CV 1 ASSI { 979} (( segid " " and resid 213 and name HN )) ( segid " " and resid 175 and name HG1%) 4.100 2.100 1.900 peak 979 spectrum 1 weight 0.11000E+01 volume 0.12543E-02 ppm1 9.239 ppm2 1.041 CV 1 ASSI { 980} (( segid " " and resid 213 and name HN )) ( segid " " and resid 175 and name HG2%) 5.700 5.700 0.300 peak 980 spectrum 1 weight 0.11000E+01 volume 0.17670E-03 ppm1 9.226 ppm2 1.130 CV 1 ASSI { 981} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG1%) 3.700 1.700 1.700 peak 981 spectrum 1 weight 0.11000E+01 volume 0.11598E-02 ppm1 9.240 ppm2 0.959 CV 1 ASSI { 982} (( segid " " and resid 213 and name HN )) ( segid " " and resid 209 and name HG2%) 5.300 3.400 0.700 peak 982 spectrum 1 weight 0.11000E+01 volume 0.20328E-03 ppm1 9.242 ppm2 1.205 CV 1 ASSI { 983} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HA )) 2.700 0.900 0.900 peak 983 spectrum 1 weight 0.11000E+01 volume 0.24975E-02 ppm1 9.241 ppm2 3.553 CV 1 ASSI { 985} (( segid " " and resid 213 and name HN )) (( segid " " and resid 210 and name HN )) 4.400 2.400 1.600 peak 985 spectrum 1 weight 0.11000E+01 volume 0.29275E-03 ppm1 9.243 ppm2 8.149 CV 1 ASSI { 986} (( segid " " and resid 213 and name HN )) (( segid " " and resid 211 and name HG1 )) 5.500 3.800 0.500 peak 986 spectrum 1 weight 0.11000E+01 volume 0.23350E-03 ppm1 9.237 ppm2 2.482 CV 1 ASSI { 987} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HA )) 3.900 1.900 1.900 peak 987 spectrum 1 weight 0.11000E+01 volume 0.42428E-03 ppm1 9.244 ppm2 4.119 CV 1 ASSI { 988} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG1 )) 3.900 1.900 1.900 peak 988 spectrum 1 weight 0.11000E+01 volume 0.62699E-03 ppm1 9.240 ppm2 2.757 CV 1 ASSI { 989} (( segid " " and resid 213 and name HN )) (( segid " " and resid 212 and name HG2 )) 5.400 3.700 0.600 peak 989 spectrum 1 weight 0.11000E+01 volume 0.13047E-03 ppm1 9.243 ppm2 2.473 CV 1 ASSI { 991} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HA )) 3.100 1.200 1.200 peak 991 spectrum 1 weight 0.11000E+01 volume 0.13184E-02 ppm1 9.242 ppm2 4.363 CV 1 ASSI { 992} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB1 )) 2.600 0.900 0.900 peak 992 spectrum 1 weight 0.11000E+01 volume 0.24716E-02 ppm1 9.244 ppm2 3.552 CV 1 ASSI { 993} (( segid " " and resid 213 and name HN )) (( segid " " and resid 213 and name HB2 )) 2.900 1.000 1.000 peak 993 spectrum 1 weight 0.11000E+01 volume 0.11526E-02 ppm1 9.242 ppm2 2.842 CV 1 ASSI { 994} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HB )) 4.700 2.800 1.300 peak 994 spectrum 1 weight 0.11000E+01 volume 0.50765E-03 ppm1 9.246 ppm2 1.986 CV 1 ASSI { 995} (( segid " " and resid 213 and name HN )) (( segid " " and resid 214 and name HN )) 2.900 1.000 1.000 peak 995 spectrum 1 weight 0.11000E+01 volume 0.13084E-02 ppm1 9.241 ppm2 8.359 CV 1 ASSI { 996} (( segid " " and resid 213 and name HN )) (( segid " " and resid 215 and name HN )) 5.600 3.900 0.400 peak 996 spectrum 1 weight 0.11000E+01 volume 0.80478E-04 ppm1 9.254 ppm2 8.098 CV 1 ASSI { 997} (( segid " " and resid 214 and name HN )) ( segid " " and resid 175 and name HG1%) 2.900 1.000 1.000 peak 997 spectrum 1 weight 0.11000E+01 volume 0.14024E-02 ppm1 8.343 ppm2 1.044 CV 1 ASSI { 998} (( segid " " and resid 214 and name HN )) (( segid " " and resid 211 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.11000E+01 volume 0.81463E-03 ppm1 8.345 ppm2 3.961 CV 1 ASSI { 999} (( segid " " and resid 214 and name HN )) (( segid " " and resid 213 and name HB2 )) 5.100 3.300 0.900 peak 999 spectrum 1 weight 0.11000E+01 volume 0.21098E-03 ppm1 8.343 ppm2 2.846 CV 1 ASSI { 1001} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HA )) 2.800 1.000 1.000 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.15983E-02 ppm1 8.343 ppm2 3.488 CV 1 ASSI { 1002} (( segid " " and resid 214 and name HN )) (( segid " " and resid 214 and name HB )) 2.200 0.600 0.600 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.37156E-02 ppm1 8.343 ppm2 1.973 CV 1 ASSI { 1003} (( segid " " and resid 214 and name HN )) ( segid " " and resid 214 and name HG2%) 3.300 1.400 1.400 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.35238E-02 ppm1 8.344 ppm2 0.842 CV 1 ASSI { 1004} (( segid " " and resid 214 and name HN )) (( segid " " and resid 215 and name HB )) 4.900 3.000 1.100 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.39341E-03 ppm1 8.342 ppm2 4.304 CV 1 ASSI { 1005} (( segid " " and resid 214 and name HN )) (( segid " " and resid 217 and name HB2 )) 4.000 2.000 2.000 peak 1005 spectrum 1 weight 0.11000E+01 volume 0.97031E-03 ppm1 8.338 ppm2 2.123 CV 1 ASSI { 1006} (( segid " " and resid 215 and name HN )) (( segid " " and resid 212 and name HA )) 4.200 4.200 1.800 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.27031E-03 ppm1 8.103 ppm2 4.078 CV 1 ASSI { 1007} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HB )) 3.200 1.300 1.300 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.11500E-02 ppm1 8.095 ppm2 1.965 CV 1 ASSI { 1008} (( segid " " and resid 215 and name HN )) (( segid " " and resid 214 and name HG11)) 4.100 2.100 1.900 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.10093E-02 ppm1 8.101 ppm2 1.526 CV 1 ASSI { 1009} (( segid " " and resid 215 and name HN )) ( segid " " and resid 214 and name HG2%) 3.000 1.100 1.100 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.14356E-02 ppm1 8.086 ppm2 0.850 CV 1 ASSI { 1010} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HA )) 2.900 1.100 1.100 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.17803E-02 ppm1 8.083 ppm2 3.892 CV 1 ASSI { 1011} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HB )) 2.900 1.000 1.000 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.21862E-02 ppm1 8.083 ppm2 4.306 CV 1 ASSI { 1012} (( segid " " and resid 215 and name HN )) (( segid " " and resid 215 and name HG1 )) 3.000 1.200 1.200 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.98107E-03 ppm1 8.087 ppm2 1.220 CV 1 ASSI { 1013} (( segid " " and resid 215 and name HN )) (( segid " " and resid 216 and name HN )) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.20341E-02 ppm1 8.084 ppm2 8.762 CV 1 ASSI { 1014} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HG2 )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.80461E-03 ppm1 8.108 ppm2 2.478 CV 1 ASSI { 1015} (( segid " " and resid 215 and name HN )) (( segid " " and resid 218 and name HN )) 3.700 1.700 1.700 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.11455E-02 ppm1 8.089 ppm2 8.321 CV 1 ASSI { 1016} (( segid " " and resid 216 and name HN )) ( segid " " and resid 160 and name HG2%) 4.900 3.000 1.100 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.29479E-03 ppm1 8.751 ppm2 0.766 CV 1 ASSI { 1017} (( segid " " and resid 216 and name HN )) (( segid " " and resid 212 and name HB2 )) 3.600 3.600 2.400 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.17540E-02 ppm1 8.754 ppm2 2.311 CV 1 ASSI { 1018} (( segid " " and resid 216 and name HN )) (( segid " " and resid 214 and name HN )) 4.000 2.000 2.000 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.45020E-03 ppm1 8.762 ppm2 8.350 CV 1 ASSI { 1019} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HA )) 4.100 2.100 1.900 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.42467E-03 ppm1 8.755 ppm2 3.881 CV 1 ASSI { 1020} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HB )) 2.800 1.000 1.000 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.18924E-02 ppm1 8.752 ppm2 4.310 CV 1 ASSI { 1021} (( segid " " and resid 216 and name HN )) ( segid " " and resid 215 and name HG2%) 4.300 2.300 1.700 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.75341E-03 ppm1 8.752 ppm2 1.237 CV 1 OR { 1021} (( segid " " and resid 216 and name HN )) (( segid " " and resid 215 and name HG1 )) ASSI { 1023} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HA )) 2.900 1.100 1.100 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.15472E-02 ppm1 8.753 ppm2 3.687 CV 1 ASSI { 1024} (( segid " " and resid 216 and name HN )) (( segid " " and resid 216 and name HG1 )) 4.900 3.000 1.100 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.36542E-03 ppm1 8.756 ppm2 1.637 CV 1 ASSI { 1025} (( segid " " and resid 216 and name HN )) (( segid " " and resid 219 and name HB1 )) 4.000 2.000 2.000 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.16254E-02 ppm1 8.752 ppm2 2.097 CV 1 ASSI { 1026} (( segid " " and resid 216 and name HN )) (( segid " " and resid 220 and name HN )) 4.000 2.000 2.000 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.10904E-02 ppm1 8.749 ppm2 8.501 CV 1 ASSI { 1027} (( segid " " and resid 217 and name HN )) ( segid " " and resid 175 and name HG1%) 5.700 4.000 0.300 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.15944E-03 ppm1 8.502 ppm2 1.042 CV 1 ASSI { 1028} (( segid " " and resid 217 and name HN )) (( segid " " and resid 213 and name HA )) 4.700 2.800 1.300 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.17541E-03 ppm1 8.511 ppm2 4.337 CV 1 ASSI { 1029} (( segid " " and resid 217 and name HN )) (( segid " " and resid 214 and name HA )) 3.500 1.600 1.600 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.53535E-03 ppm1 8.498 ppm2 3.471 CV 1 ASSI { 1030} (( segid " " and resid 217 and name HN )) ( segid " " and resid 214 and name HG2%) 4.400 2.500 1.600 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.34629E-03 ppm1 8.502 ppm2 0.834 CV 1 ASSI { 1031} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HA )) 3.700 1.700 1.700 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.48260E-03 ppm1 8.501 ppm2 3.705 CV 1 ASSI { 1032} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.800 1.800 1.800 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.57623E-03 ppm1 8.499 ppm2 2.315 CV 1 ASSI { 1033} (( segid " " and resid 217 and name HN )) (( segid " " and resid 216 and name HN )) 3.000 1.200 1.200 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.13533E-02 ppm1 8.501 ppm2 8.766 CV 1 ASSI { 1034} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HA )) 2.800 1.000 1.000 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.31125E-02 ppm1 8.499 ppm2 2.948 CV 1 ASSI { 1035} (( segid " " and resid 217 and name HN )) (( segid " " and resid 217 and name HB2 )) 3.100 1.200 1.200 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.13216E-02 ppm1 8.497 ppm2 2.109 CV 1 ASSI { 1036} (( segid " " and resid 217 and name HN )) ( segid " " and resid 217 and name HD% ) 4.600 2.600 1.400 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.74558E-03 ppm1 8.501 ppm2 6.179 CV 1 ASSI { 1037} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HB2 )) 4.600 2.600 1.400 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.13216E-02 ppm1 8.498 ppm2 2.084 CV 1 ASSI { 1038} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HG1 )) 4.000 2.000 2.000 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.19794E-02 ppm1 8.500 ppm2 2.696 CV 1 ASSI { 1039} (( segid " " and resid 217 and name HN )) (( segid " " and resid 218 and name HN )) 3.000 1.100 1.100 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.13905E-02 ppm1 8.515 ppm2 8.321 CV 1 ASSI { 1040} (( segid " " and resid 217 and name HN )) (( segid " " and resid 220 and name HB1 )) 5.800 4.200 0.200 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.21397E-03 ppm1 8.497 ppm2 2.163 CV 1 ASSI { 1041} (( segid " " and resid 218 and name HN )) (( segid " " and resid 214 and name HA )) 4.700 2.800 1.300 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.26439E-03 ppm1 8.348 ppm2 3.493 CV 1 ASSI { 1042} (( segid " " and resid 218 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.600 3.600 2.400 peak 1042 spectrum 1 weight 0.11000E+01 volume 0.19466E-02 ppm1 8.359 ppm2 2.327 CV 1 ASSI { 1043} (( segid " " and resid 218 and name HN )) (( segid " " and resid 217 and name HA )) 3.400 1.500 1.500 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.12409E-02 ppm1 8.359 ppm2 2.937 CV 1 ASSI { 1045} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HA )) 2.900 1.100 1.100 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.19089E-02 ppm1 8.356 ppm2 3.744 CV 1 ASSI { 1046} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG1 )) 3.400 1.400 1.400 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.25070E-02 ppm1 8.359 ppm2 2.721 CV 1 ASSI { 1047} (( segid " " and resid 218 and name HN )) (( segid " " and resid 218 and name HG2 )) 3.000 1.100 1.100 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.87600E-03 ppm1 8.359 ppm2 2.451 CV 1 ASSI { 1048} (( segid " " and resid 218 and name HN )) (( segid " " and resid 219 and name HB1 )) 3.600 1.600 1.600 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.24673E-02 ppm1 8.357 ppm2 2.087 CV 1 ASSI { 1049} (( segid " " and resid 219 and name HN )) (( segid " " and resid 215 and name HN )) 2.200 2.200 3.800 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.14724E-02 ppm1 8.252 ppm2 8.090 CV 1 ASSI { 1050} (( segid " " and resid 219 and name HN )) (( segid " " and resid 218 and name HA )) 3.400 1.400 1.400 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.11247E-02 ppm1 8.251 ppm2 3.722 CV 1 ASSI { 1051} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HA )) 2.900 1.000 1.000 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.24662E-02 ppm1 8.252 ppm2 4.013 CV 1 ASSI { 1052} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.200 0.600 0.600 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.64643E-02 ppm1 8.250 ppm2 2.106 CV 1 ASSI { 1053} (( segid " " and resid 219 and name HN )) (( segid " " and resid 219 and name HG1 )) 3.800 1.800 1.800 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.21703E-02 ppm1 8.250 ppm2 2.377 CV 1 ASSI { 1054} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HB1 )) 4.400 2.400 1.600 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.17575E-02 ppm1 8.245 ppm2 2.172 CV 1 ASSI { 1055} (( segid " " and resid 219 and name HN )) (( segid " " and resid 220 and name HN )) 2.700 0.900 0.900 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.20801E-02 ppm1 8.252 ppm2 8.508 CV 1 ASSI { 1056} (( segid " " and resid 219 and name HN )) (( segid " " and resid 222 and name HG2 )) 3.600 3.600 2.400 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.17819E-02 ppm1 8.251 ppm2 2.424 CV 1 ASSI { 1058} (( segid " " and resid 220 and name HN )) (( segid " " and resid 216 and name HA )) 4.600 2.700 1.400 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.25791E-03 ppm1 8.492 ppm2 3.703 CV 1 ASSI { 1059} (( segid " " and resid 220 and name HN )) (( segid " " and resid 216 and name HB1 )) 3.700 1.700 1.700 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.80306E-03 ppm1 8.503 ppm2 2.334 CV 1 ASSI { 1060} (( segid " " and resid 220 and name HN )) (( segid " " and resid 218 and name HN )) 3.900 1.900 1.900 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.67682E-03 ppm1 8.497 ppm2 8.348 CV 1 ASSI { 1061} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HA )) 3.300 1.300 1.300 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.14751E-02 ppm1 8.508 ppm2 4.028 CV 1 ASSI { 1062} (( segid " " and resid 220 and name HN )) (( segid " " and resid 219 and name HB1 )) 2.300 0.700 0.700 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.49314E-02 ppm1 8.500 ppm2 2.123 CV 1 ASSI { 1064} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HA )) 2.900 1.000 1.000 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.20816E-02 ppm1 8.500 ppm2 4.071 CV 1 ASSI { 1065} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG1 )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.25242E-02 ppm1 8.491 ppm2 2.172 CV 1 ASSI { 1066} (( segid " " and resid 220 and name HN )) (( segid " " and resid 220 and name HG2 )) 3.700 1.700 1.700 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.20538E-02 ppm1 8.502 ppm2 2.407 CV 1 ASSI { 1067} (( segid " " and resid 220 and name HN )) (( segid " " and resid 221 and name HN )) 2.400 0.700 0.700 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.40026E-02 ppm1 8.497 ppm2 8.438 CV 1 ASSI { 1068} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HB1 )) 3.100 3.100 2.900 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.49314E-02 ppm1 8.497 ppm2 2.154 CV 1 ASSI { 1069} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HG2 )) 3.400 3.400 2.600 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.20538E-02 ppm1 8.503 ppm2 2.424 CV 1 ASSI { 1070} (( segid " " and resid 220 and name HN )) (( segid " " and resid 222 and name HN )) 6.000 4.500 0.000 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.65635E-04 ppm1 8.488 ppm2 7.827 CV 1 ASSI { 1072} (( segid " " and resid 221 and name HN )) ( segid " " and resid 165 and name HG1%) 2.600 2.600 3.400 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.56575E-03 ppm1 8.453 ppm2 0.846 CV 1 ASSI { 1073} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HA )) 2.700 0.900 0.900 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.24415E-02 ppm1 8.449 ppm2 3.967 CV 1 ASSI { 1074} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB1 )) 2.900 1.100 1.100 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.18548E-02 ppm1 8.452 ppm2 3.573 CV 1 ASSI { 1075} (( segid " " and resid 221 and name HN )) (( segid " " and resid 221 and name HB2 )) 3.000 1.100 1.100 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.16047E-02 ppm1 8.451 ppm2 3.378 CV 1 ASSI { 1076} (( segid " " and resid 221 and name HN )) (( segid " " and resid 222 and name HB1 )) 3.800 1.800 1.800 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.17807E-02 ppm1 8.449 ppm2 2.136 CV 1 ASSI { 1077} (( segid " " and resid 221 and name HN )) (( segid " " and resid 222 and name HN )) 2.800 0.900 0.900 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.20979E-02 ppm1 8.456 ppm2 7.849 CV 1 ASSI { 1078} (( segid " " and resid 221 and name HN )) (( segid " " and resid 223 and name HN )) 3.900 1.900 1.900 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.89781E-03 ppm1 8.461 ppm2 7.826 CV 1 ASSI { 1079} (( segid " " and resid 222 and name HN )) (( segid " " and resid 219 and name HG2 )) 3.600 1.600 1.600 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.19636E-02 ppm1 7.829 ppm2 2.459 CV 1 ASSI { 1080} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HA )) 3.300 1.400 1.400 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.95341E-03 ppm1 7.825 ppm2 3.955 CV 1 ASSI { 1081} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HB1 )) 3.100 1.200 1.200 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.10071E-02 ppm1 7.823 ppm2 3.566 CV 1 ASSI { 1082} (( segid " " and resid 222 and name HN )) (( segid " " and resid 221 and name HB2 )) 4.500 2.500 1.500 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.67008E-03 ppm1 7.820 ppm2 3.369 CV 1 ASSI { 1084} (( segid " " and resid 223 and name HN )) (( segid " " and resid 219 and name HA )) 3.300 1.300 1.300 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.16947E-02 ppm1 7.824 ppm2 3.983 CV 1 ASSI { 1085} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HA )) 2.500 2.500 3.500 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.75569E-02 ppm1 7.839 ppm2 4.178 CV 1 ASSI { 1086} (( segid " " and resid 223 and name HN )) (( segid " " and resid 222 and name HB1 )) 2.600 0.800 0.800 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.94556E-02 ppm1 7.833 ppm2 2.148 CV 1 ASSI { 1087} (( segid " " and resid 223 and name HN )) ( segid " " and resid 223 and name HB% ) 2.200 0.600 0.600 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.10578E-01 ppm1 7.846 ppm2 1.499 CV 1 ASSI { 1088} (( segid " " and resid 223 and name HN )) (( segid " " and resid 224 and name HA )) 4.300 2.300 1.700 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.93421E-03 ppm1 7.837 ppm2 4.081 CV 1 ASSI { 1090} (( segid " " and resid 223 and name HN )) (( segid " " and resid 225 and name HN )) 2.900 1.100 1.100 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.35241E-02 ppm1 7.831 ppm2 7.970 CV 1 ASSI { 1091} (( segid " " and resid 223 and name HN )) (( segid " " and resid 226 and name HN )) 4.700 2.800 1.300 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.25866E-03 ppm1 7.831 ppm2 8.114 CV 1 ASSI { 1092} (( segid " " and resid 224 and name HN )) (( segid " " and resid 222 and name HB1 )) 4.800 2.900 1.200 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.50023E-03 ppm1 8.000 ppm2 2.148 CV 1 ASSI { 1093} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HA )) 3.200 1.300 1.300 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.18115E-02 ppm1 8.005 ppm2 4.189 CV 1 ASSI { 1094} (( segid " " and resid 224 and name HN )) (( segid " " and resid 223 and name HN )) 2.300 0.700 0.700 peak 1094 spectrum 1 weight 0.11000E+01 volume 0.66709E-02 ppm1 8.008 ppm2 7.864 CV 1 ASSI { 1095} (( segid " " and resid 224 and name HN )) (( segid " " and resid 224 and name HA )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.49138E-02 ppm1 8.003 ppm2 4.059 CV 1 ASSI { 1096} (( segid " " and resid 224 and name HN )) ( segid " " and resid 224 and name HB% ) 2.200 0.600 0.600 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.13000E-01 ppm1 8.001 ppm2 1.474 CV 1 ASSI { 1097} (( segid " " and resid 224 and name HN )) (( segid " " and resid 227 and name HN )) 2.700 2.700 3.300 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.91269E-02 ppm1 8.005 ppm2 8.078 CV 1 ASSI { 1098} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HA )) 2.800 1.000 1.000 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.27342E-02 ppm1 7.969 ppm2 4.305 CV 1 ASSI { 1099} (( segid " " and resid 225 and name HN )) (( segid " " and resid 225 and name HB1 )) 2.700 0.900 0.900 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.81732E-02 ppm1 7.969 ppm2 3.187 CV 1 ASSI { 1100} (( segid " " and resid 226 and name HN )) (( segid " " and resid 223 and name HA )) 3.000 1.100 1.100 peak 1100 spectrum 1 weight 0.11000E+01 volume 0.18458E-02 ppm1 8.110 ppm2 4.204 CV 1 ASSI { 1101} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HA )) 2.800 1.000 1.000 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.37358E-02 ppm1 8.091 ppm2 4.302 CV 1 ASSI { 1102} (( segid " " and resid 226 and name HN )) (( segid " " and resid 225 and name HB2 )) 3.100 1.200 1.200 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.32175E-02 ppm1 8.111 ppm2 3.185 CV 1 ASSI { 1103} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HA )) 2.700 0.900 0.900 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.44272E-02 ppm1 8.103 ppm2 3.903 CV 1 ASSI { 1104} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.400 0.700 0.700 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.77374E-02 ppm1 8.116 ppm2 2.187 CV 1 OR { 1104} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HB1 )) ASSI { 1105} (( segid " " and resid 226 and name HN )) (( segid " " and resid 226 and name HG2 )) 2.900 1.100 1.100 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.30761E-02 ppm1 8.110 ppm2 2.506 CV 1 ASSI { 1110} (( segid " " and resid 227 and name HE )) (( segid " " and resid 227 and name HD2 )) 3.200 3.200 2.800 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.12865E-02 ppm1 7.318 ppm2 3.137 CV 1 ASSI { 1111} (( segid " " and resid 227 and name HE )) (( segid " " and resid 227 and name HG2 )) 3.500 3.500 2.500 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.76260E-03 ppm1 7.319 ppm2 1.807 CV 1 ASSI { 1112} (( segid " " and resid 227 and name HN )) (( segid " " and resid 223 and name HN )) 2.900 2.900 3.100 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.32338E-03 ppm1 8.071 ppm2 7.853 CV 1 ASSI { 1113} (( segid " " and resid 227 and name HN )) (( segid " " and resid 224 and name HA )) 2.800 1.000 1.000 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.60361E-02 ppm1 8.068 ppm2 4.084 CV 1 ASSI { 1114} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HA )) 3.900 1.900 1.900 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.56217E-03 ppm1 8.067 ppm2 3.903 CV 1 ASSI { 1115} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB2 )) 2.800 1.000 1.000 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.28852E-02 ppm1 8.066 ppm2 2.179 CV 1 OR { 1115} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HB1 )) ASSI { 1116} (( segid " " and resid 227 and name HN )) (( segid " " and resid 226 and name HG2 )) 3.900 1.900 1.900 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.76742E-03 ppm1 8.072 ppm2 2.526 CV 1 ASSI { 1117} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB1 )) 2.400 0.700 0.700 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.70370E-02 ppm1 8.071 ppm2 1.963 CV 1 ASSI { 1118} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.100 1.200 1.200 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.51242E-02 ppm1 8.068 ppm2 1.848 CV 1 ASSI { 1119} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HD1 )) 6.000 6.000 0.000 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.50750E-04 ppm1 8.103 ppm2 3.304 CV 1 ASSI { 1120} (( segid " " and resid 227 and name HN )) (( segid " " and resid 227 and name HG1 )) 2.800 1.000 1.000 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.35778E-02 ppm1 8.072 ppm2 1.605 CV 1 ASSI { 1121} (( segid " " and resid 227 and name HN )) ( segid " " and resid 228 and name HB% ) 4.500 2.500 1.500 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.91418E-03 ppm1 8.062 ppm2 1.451 CV 1 ASSI { 1122} (( segid " " and resid 228 and name HN )) (( segid " " and resid 225 and name HA )) 3.800 1.800 1.800 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.73560E-03 ppm1 7.730 ppm2 4.322 CV 1 ASSI { 1123} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HA )) 2.600 0.800 0.800 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.63595E-02 ppm1 7.732 ppm2 4.127 CV 1 ASSI { 1124} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB1 )) 3.700 1.700 1.700 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.20733E-02 ppm1 7.731 ppm2 1.954 CV 1 ASSI { 1125} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HB2 )) 3.400 1.500 1.500 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.21950E-02 ppm1 7.732 ppm2 1.837 CV 1 ASSI { 1126} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HG1 )) 3.400 1.500 1.500 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.82380E-03 ppm1 7.731 ppm2 1.614 CV 1 ASSI { 1127} (( segid " " and resid 228 and name HN )) (( segid " " and resid 227 and name HN )) 2.400 0.700 0.700 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.48420E-02 ppm1 7.731 ppm2 8.073 CV 1 ASSI { 1128} (( segid " " and resid 228 and name HN )) ( segid " " and resid 228 and name HB% ) 2.200 0.600 0.600 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.12309E-01 ppm1 7.732 ppm2 1.441 CV 1 ASSI { 4} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 184 and name HB2 )) 3.800 1.800 1.800 peak 4 spectrum 1 weight 0.11000E+01 volume 0.11989E-02 ppm1 0.634 ppm2 1.964 CV 1 ASSI { 7} (( segid " " and resid 155 and name HA )) (( segid " " and resid 193 and name HG1 )) 3.000 3.000 3.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.52644E-02 ppm1 4.021 ppm2 1.481 CV 1 ASSI { 9} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 164 and name HG2 )) 3.700 1.700 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.99372E-03 ppm1 3.154 ppm2 2.076 CV 1 OR { 9} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 164 and name HG1 )) ASSI { 11} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 155 and name HA )) 3.800 3.800 2.200 peak 11 spectrum 1 weight 0.11000E+01 volume 0.15293E-02 ppm1 1.619 ppm2 4.053 CV 1 ASSI { 21} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.700 3.700 2.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28921E-02 ppm1 1.116 ppm2 0.755 CV 1 ASSI { 22} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 93 and name HN )) 3.600 1.600 1.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13397E-02 ppm1 1.114 ppm2 8.311 CV 1 ASSI { 24} (( segid " " and resid 209 and name HA )) ( segid " " and resid 133 and name HE% ) 3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 3.654 ppm2 1.890 CV 1 ASSI { 25} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HG2 )) 3.300 1.300 1.300 peak 25 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 4.177 ppm2 1.815 CV 1 ASSI { 27} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 184 and name HB2 )) 3.800 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 0.533 ppm2 1.979 CV 1 ASSI { 28} (( segid " " and resid 195 and name HG1 )) (( segid " " and resid 155 and name HA )) 4.900 3.000 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.57198E-03 ppm1 2.066 ppm2 4.050 CV 1 ASSI { 31} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 151 and name HA )) 5.100 3.300 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.32589E-03 ppm1 1.284 ppm2 4.116 CV 1 ASSI { 33} (( segid " " and resid 132 and name HA )) (( segid " " and resid 129 and name HG )) 5.200 3.400 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.61621E-03 ppm1 4.376 ppm2 1.419 CV 1 ASSI { 37} (( segid " " and resid 207 and name HD1 )) (( segid " " and resid 138 and name HG12)) 5.100 3.200 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.52689E-03 ppm1 3.291 ppm2 0.903 CV 1 ASSI { 42} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 155 and name HD2 )) 3.800 1.800 1.800 peak 42 spectrum 1 weight 0.11000E+01 volume 0.12344E-02 ppm1 2.918 ppm2 3.193 CV 1 OR { 42} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 155 and name HD2 )) ASSI { 46} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 136 and name HG2 )) 3.900 1.900 1.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.73779E-03 ppm1 2.722 ppm2 2.021 CV 1 ASSI { 52} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 186 and name HB1 )) 2.600 2.600 3.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.56570E-03 ppm1 1.223 ppm2 3.134 CV 1 ASSI { 60} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HG1 )) 3.000 3.000 3.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.75987E-03 ppm1 4.589 ppm2 1.265 CV 1 ASSI { 79} ( segid " " and resid 188 and name HG2%) ( segid " " and resid 120 and name HG2%) 2.700 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.43272E-02 ppm1 0.748 ppm2 0.907 CV 1 ASSI { 83} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 140 and name HD% ) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.11859E-02 ppm1 2.856 ppm2 7.382 CV 1 ASSI { 87} (( segid " " and resid 164 and name HD2 )) ( segid " " and resid 165 and name HG1%) 4.900 3.000 1.100 peak 87 spectrum 1 weight 0.10000E+01 volume 0.32561E-03 ppm1 3.655 ppm2 0.872 CV 1 ASSI { 90} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 207 and name HE )) 3.800 1.800 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.97769E-03 ppm1 1.033 ppm2 7.324 CV 1 ASSI { 95} (( segid " " and resid 109 and name HA )) ( segid " " and resid 111 and name HG1%) 3.800 1.800 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.70184E-03 ppm1 4.290 ppm2 0.891 CV 1 ASSI { 96} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 98 and name HB2 )) 4.100 2.100 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.42615E-03 ppm1 1.712 ppm2 3.395 CV 1 ASSI { 107} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HG1 )) 2.600 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 1.926 ppm2 1.270 CV 1 ASSI { 110} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 138 and name HA )) 3.700 1.700 1.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 3.636 ppm2 3.970 CV 1 ASSI { 111} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 129 and name HD1%) 6.000 6.000 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.33492E-04 ppm1 2.044 ppm2 0.602 CV 1 ASSI { 122} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 124 and name HD2%) 5.000 3.100 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.41881E-03 ppm1 2.894 ppm2 0.535 CV 1 ASSI { 128} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 136 and name HD2 )) 5.400 3.600 0.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.25337E-03 ppm1 2.479 ppm2 3.607 CV 1 ASSI { 130} (( segid " " and resid 95 and name HA )) (( segid " " and resid 98 and name HA )) 3.600 3.600 2.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 4.598 ppm2 4.724 CV 1 ASSI { 134} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 215 and name HA )) 4.500 2.600 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.60052E-03 ppm1 2.711 ppm2 3.872 CV 1 ASSI { 138} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 98 and name HZ3 )) 2.700 2.700 3.300 peak 138 spectrum 1 weight 0.11000E+01 volume 0.44897E-03 ppm1 2.994 ppm2 6.625 CV 1 OR { 138} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 98 and name HZ3 )) ASSI { 141} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 152 and name HD22)) 2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13498E-02 ppm1 1.032 ppm2 6.588 CV 1 ASSI { 143} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 185 and name HG2 )) 5.500 3.800 0.500 peak 143 spectrum 1 weight 0.11000E+01 volume 0.37777E-03 ppm1 1.662 ppm2 2.501 CV 1 ASSI { 146} (( segid " " and resid 204 and name HA )) (( segid " " and resid 152 and name HD22)) 3.800 1.800 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.76883E-03 ppm1 3.627 ppm2 6.571 CV 1 ASSI { 148} (( segid " " and resid 222 and name HA )) ( segid " " and resid 225 and name HD% ) 4.100 2.100 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.63151E-03 ppm1 4.175 ppm2 7.133 CV 1 ASSI { 150} (( segid " " and resid 217 and name HA )) (( segid " " and resid 165 and name HN )) 4.100 2.100 1.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.67715E-03 ppm1 2.934 ppm2 8.578 CV 1 ASSI { 151} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 197 and name HD% ) 3.700 1.700 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.35661E-03 ppm1 2.942 ppm2 7.377 CV 1 ASSI { 152} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 129 and name HB2 )) 4.600 2.700 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.34648E-03 ppm1 2.958 ppm2 1.318 CV 1 ASSI { 153} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HG1 )) 3.300 1.400 1.400 peak 153 spectrum 1 weight 0.10000E+01 volume 0.35149E-02 ppm1 1.222 ppm2 1.482 CV 1 ASSI { 186} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG2 )) 2.700 2.700 3.300 peak 186 spectrum 1 weight 0.11000E+01 volume 0.44968E-02 ppm1 2.021 ppm2 2.369 CV 1 OR { 186} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HG1 )) OR { 186} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HG2 )) OR { 186} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG1 )) ASSI { 189} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HG2%) 3.700 1.700 1.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.97842E-03 ppm1 4.292 ppm2 1.131 CV 1 ASSI { 190} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HA )) 4.100 2.100 1.900 peak 190 spectrum 1 weight 0.11000E+01 volume 0.78061E-03 ppm1 4.298 ppm2 4.642 CV 1 ASSI { 191} (( segid " " and resid 94 and name HB )) (( segid " " and resid 93 and name HA2 )) 3.300 1.400 1.400 peak 191 spectrum 1 weight 0.11000E+01 volume 0.22120E-02 ppm1 4.166 ppm2 3.998 CV 1 OR { 191} (( segid " " and resid 94 and name HB )) (( segid " " and resid 93 and name HA1 )) ASSI { 192} (( segid " " and resid 94 and name HB )) (( segid " " and resid 94 and name HA )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.11000E+01 volume 0.60595E-02 ppm1 4.167 ppm2 4.313 CV 1 ASSI { 195} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 94 and name HB )) 2.800 1.000 1.000 peak 195 spectrum 1 weight 0.11000E+01 volume 0.34414E-02 ppm1 1.143 ppm2 4.162 CV 1 ASSI { 196} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB2 )) 2.300 2.300 3.700 peak 196 spectrum 1 weight 0.11000E+01 volume 0.12095E-01 ppm1 4.618 ppm2 3.124 CV 1 ASSI { 197} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HD2 )) 4.400 4.400 1.600 peak 197 spectrum 1 weight 0.11000E+01 volume 0.31678E-03 ppm1 4.571 ppm2 7.100 CV 1 ASSI { 198} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 95 and name HA )) 2.700 2.700 3.300 peak 198 spectrum 1 weight 0.11000E+01 volume 0.45908E-02 ppm1 3.076 ppm2 4.586 CV 1 ASSI { 200} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 200 spectrum 1 weight 0.11000E+01 volume 0.43743E-02 ppm1 4.581 ppm2 2.645 CV 1 OR { 200} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB1 )) ASSI { 201} (( segid " " and resid 96 and name HA )) (( segid " " and resid 98 and name HA )) 3.300 3.300 2.700 peak 201 spectrum 1 weight 0.11000E+01 volume 0.25072E-02 ppm1 4.583 ppm2 4.756 CV 1 ASSI { 203} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 98 and name HZ3 )) 4.200 2.200 1.800 peak 203 spectrum 1 weight 0.11000E+01 volume 0.47999E-03 ppm1 2.653 ppm2 6.632 CV 1 OR { 203} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 98 and name HZ3 )) ASSI { 204} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 3.300 1.400 1.400 peak 204 spectrum 1 weight 0.11000E+01 volume 0.11954E-02 ppm1 4.216 ppm2 1.883 CV 1 ASSI { 205} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HG2 )) 4.100 2.200 1.900 peak 205 spectrum 1 weight 0.11000E+01 volume 0.59304E-03 ppm1 4.214 ppm2 2.014 CV 1 ASSI { 206} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 91 and name HA )) 3.400 3.400 2.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.84238E-03 ppm1 1.802 ppm2 4.388 CV 1 ASSI { 207} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HB1 )) 1.500 0.300 0.700 peak 207 spectrum 1 weight 0.11000E+01 volume 0.55123E-01 ppm1 1.812 ppm2 1.854 CV 1 ASSI { 209} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB1 )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.11000E+01 volume 0.26825E-02 ppm1 4.701 ppm2 3.218 CV 1 ASSI { 210} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 210 spectrum 1 weight 0.11000E+01 volume 0.24374E-02 ppm1 4.702 ppm2 3.362 CV 1 ASSI { 211} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HD1 )) 4.300 2.300 1.700 peak 211 spectrum 1 weight 0.11000E+01 volume 0.49387E-03 ppm1 4.731 ppm2 7.643 CV 1 ASSI { 212} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HE3 )) 4.100 2.100 1.900 peak 212 spectrum 1 weight 0.11000E+01 volume 0.77508E-03 ppm1 4.697 ppm2 7.238 CV 1 ASSI { 216} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HB1 )) 1.700 0.300 0.500 peak 216 spectrum 1 weight 0.11000E+01 volume 0.28621E-01 ppm1 3.357 ppm2 3.221 CV 1 ASSI { 217} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB1 )) 2.800 1.000 1.000 peak 217 spectrum 1 weight 0.11000E+01 volume 0.21831E-02 ppm1 4.619 ppm2 1.803 CV 1 ASSI { 219} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.900 1.100 1.100 peak 219 spectrum 1 weight 0.11000E+01 volume 0.25467E-02 ppm1 4.609 ppm2 1.696 CV 1 ASSI { 220} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG1 )) 3.300 1.300 1.300 peak 220 spectrum 1 weight 0.11000E+01 volume 0.13364E-02 ppm1 4.599 ppm2 1.454 CV 1 OR { 220} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG2 )) ASSI { 226} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 100 and name HG2 )) 2.400 0.700 0.700 peak 226 spectrum 1 weight 0.11000E+01 volume 0.90082E-02 ppm1 1.816 ppm2 1.461 CV 1 OR { 226} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 100 and name HG1 )) ASSI { 230} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HD2 )) 3.700 1.700 1.700 peak 230 spectrum 1 weight 0.11000E+01 volume 0.17644E-02 ppm1 1.692 ppm2 3.646 CV 1 ASSI { 232} (( segid " " and resid 100 and name HG1 )) (( segid " " and resid 100 and name HB2 )) 1.900 0.500 0.500 peak 232 spectrum 1 weight 0.11000E+01 volume 0.30839E-01 ppm1 1.460 ppm2 1.691 CV 1 OR { 232} (( segid " " and resid 100 and name HG2 )) (( segid " " and resid 100 and name HB2 )) ASSI { 233} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB1 )) 3.000 1.100 1.100 peak 233 spectrum 1 weight 0.11000E+01 volume 0.17074E-02 ppm1 4.455 ppm2 1.878 CV 1 ASSI { 234} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.900 1.100 1.100 peak 234 spectrum 1 weight 0.11000E+01 volume 0.36354E-02 ppm1 4.455 ppm2 2.293 CV 1 ASSI { 236} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HB2 )) 1.700 0.400 0.500 peak 236 spectrum 1 weight 0.11000E+01 volume 0.19046E-01 ppm1 1.906 ppm2 2.298 CV 1 ASSI { 237} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HD2 )) 4.600 4.600 1.400 peak 237 spectrum 1 weight 0.11000E+01 volume 0.63611E-03 ppm1 1.880 ppm2 3.669 CV 1 ASSI { 240} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HD1 )) 4.500 2.500 1.500 peak 240 spectrum 1 weight 0.11000E+01 volume 0.89114E-03 ppm1 2.300 ppm2 3.833 CV 1 ASSI { 241} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HD2 )) 4.500 2.600 1.500 peak 241 spectrum 1 weight 0.11000E+01 volume 0.57705E-03 ppm1 2.294 ppm2 3.641 CV 1 ASSI { 242} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 102 and name HA )) 3.200 1.300 1.300 peak 242 spectrum 1 weight 0.11000E+01 volume 0.26227E-02 ppm1 2.302 ppm2 4.425 CV 1 ASSI { 243} (( segid " " and resid 101 and name HD1 )) (( segid " " and resid 100 and name HA )) 2.200 0.600 0.600 peak 243 spectrum 1 weight 0.11000E+01 volume 0.79202E-02 ppm1 3.826 ppm2 4.613 CV 1 ASSI { 245} (( segid " " and resid 101 and name HD1 )) (( segid " " and resid 101 and name HD2 )) 1.500 0.300 0.700 peak 245 spectrum 1 weight 0.11000E+01 volume 0.33251E-01 ppm1 3.825 ppm2 3.674 CV 1 ASSI { 246} (( segid " " and resid 101 and name HD1 )) (( segid " " and resid 101 and name HG1 )) 2.300 0.700 0.700 peak 246 spectrum 1 weight 0.11000E+01 volume 0.79410E-02 ppm1 3.826 ppm2 2.005 CV 1 OR { 246} (( segid " " and resid 101 and name HD1 )) (( segid " " and resid 101 and name HG2 )) ASSI { 247} (( segid " " and resid 101 and name HD1 )) (( segid " " and resid 102 and name HA )) 4.400 2.400 1.600 peak 247 spectrum 1 weight 0.11000E+01 volume 0.10661E-02 ppm1 3.818 ppm2 4.418 CV 1 ASSI { 248} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 100 and name HA )) 2.500 0.800 0.800 peak 248 spectrum 1 weight 0.11000E+01 volume 0.76024E-02 ppm1 3.634 ppm2 4.614 CV 1 ASSI { 249} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 100 and name HG1 )) 4.300 2.300 1.700 peak 249 spectrum 1 weight 0.11000E+01 volume 0.69427E-03 ppm1 3.642 ppm2 1.458 CV 1 OR { 249} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 100 and name HG2 )) ASSI { 251} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HG2 )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.11000E+01 volume 0.74310E-02 ppm1 3.634 ppm2 2.017 CV 1 OR { 251} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HG1 )) ASSI { 252} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 102 and name HA )) 3.300 1.300 1.300 peak 252 spectrum 1 weight 0.11000E+01 volume 0.17646E-02 ppm1 3.635 ppm2 4.411 CV 1 ASSI { 253} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 100 and name HB2 )) 3.900 3.900 2.100 peak 253 spectrum 1 weight 0.11000E+01 volume 0.27201E-02 ppm1 2.017 ppm2 1.740 CV 1 OR { 253} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 100 and name HB2 )) ASSI { 254} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 101 and name HA )) 3.900 1.900 1.900 peak 254 spectrum 1 weight 0.11000E+01 volume 0.18822E-02 ppm1 2.032 ppm2 4.455 CV 1 OR { 254} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HA )) ASSI { 255} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HB2 )) 2.100 0.500 0.500 peak 255 spectrum 1 weight 0.11000E+01 volume 0.15706E-01 ppm1 2.019 ppm2 2.292 CV 1 OR { 255} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 101 and name HB2 )) ASSI { 258} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 102 and name HA )) 3.800 1.800 1.800 peak 258 spectrum 1 weight 0.11000E+01 volume 0.10759E-02 ppm1 1.996 ppm2 4.414 CV 1 OR { 258} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 102 and name HA )) ASSI { 261} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 261 spectrum 1 weight 0.11000E+01 volume 0.30479E-02 ppm1 4.432 ppm2 4.598 CV 1 ASSI { 262} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.11000E+01 volume 0.40157E-02 ppm1 3.834 ppm2 4.440 CV 1 OR { 262} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 102 and name HA )) ASSI { 263} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) 3.000 1.100 1.100 peak 263 spectrum 1 weight 0.11000E+01 volume 0.23116E-02 ppm1 4.610 ppm2 1.806 CV 1 ASSI { 264} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HD1 )) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.11000E+01 volume 0.27632E-02 ppm1 4.593 ppm2 1.684 CV 1 OR { 264} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HD2 )) ASSI { 266} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HG2 )) 3.500 1.500 1.500 peak 266 spectrum 1 weight 0.11000E+01 volume 0.14032E-02 ppm1 4.605 ppm2 1.452 CV 1 OR { 266} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HG1 )) ASSI { 271} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 104 and name HA )) 3.300 3.300 2.700 peak 271 spectrum 1 weight 0.11000E+01 volume 0.22994E-02 ppm1 1.763 ppm2 4.391 CV 1 ASSI { 272} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 107 and name HN )) 4.100 2.100 1.900 peak 272 spectrum 1 weight 0.11000E+01 volume 0.46179E-03 ppm1 1.771 ppm2 8.380 CV 1 ASSI { 274} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HG2 )) 2.300 0.700 0.700 peak 274 spectrum 1 weight 0.11000E+01 volume 0.90082E-02 ppm1 1.816 ppm2 1.461 CV 1 OR { 274} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HG1 )) ASSI { 278} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 103 and name HE2 )) 2.400 2.400 3.600 peak 278 spectrum 1 weight 0.11000E+01 volume 0.72139E-02 ppm1 1.674 ppm2 2.960 CV 1 OR { 278} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 103 and name HE1 )) OR { 278} (( segid " " and resid 103 and name HD1 )) (( segid " " and resid 103 and name HE1 )) OR { 278} (( segid " " and resid 103 and name HD1 )) (( segid " " and resid 103 and name HE2 )) ASSI { 281} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 104 and name HA )) 3.600 3.600 2.400 peak 281 spectrum 1 weight 0.11000E+01 volume 0.12856E-02 ppm1 1.685 ppm2 4.397 CV 1 OR { 281} (( segid " " and resid 103 and name HD1 )) (( segid " " and resid 104 and name HA )) ASSI { 282} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 104 and name HD2 )) 3.400 3.400 2.600 peak 282 spectrum 1 weight 0.11000E+01 volume 0.17644E-02 ppm1 1.692 ppm2 3.646 CV 1 OR { 282} (( segid " " and resid 103 and name HD1 )) (( segid " " and resid 104 and name HD2 )) ASSI { 284} (( segid " " and resid 103 and name HG2 )) (( segid " " and resid 103 and name HD1 )) 1.900 0.400 0.400 peak 284 spectrum 1 weight 0.11000E+01 volume 0.30724E-01 ppm1 1.468 ppm2 1.691 CV 1 OR { 284} (( segid " " and resid 103 and name HG1 )) (( segid " " and resid 103 and name HD2 )) OR { 284} (( segid " " and resid 103 and name HG2 )) (( segid " " and resid 103 and name HD2 )) OR { 284} (( segid " " and resid 103 and name HG1 )) (( segid " " and resid 103 and name HD1 )) ASSI { 288} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HD2 )) 3.100 3.100 2.900 peak 288 spectrum 1 weight 0.11000E+01 volume 0.26007E-02 ppm1 4.395 ppm2 1.689 CV 1 OR { 288} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HD1 )) ASSI { 289} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HB2 )) 1.700 0.400 0.500 peak 289 spectrum 1 weight 0.11000E+01 volume 0.20087E-01 ppm1 2.298 ppm2 1.912 CV 1 ASSI { 290} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HD1 )) 3.900 1.900 1.900 peak 290 spectrum 1 weight 0.11000E+01 volume 0.89114E-03 ppm1 2.300 ppm2 3.833 CV 1 ASSI { 291} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 3.200 1.300 1.300 peak 291 spectrum 1 weight 0.11000E+01 volume 0.21462E-02 ppm1 1.890 ppm2 4.401 CV 1 ASSI { 293} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HD1 )) 4.300 2.300 1.700 peak 293 spectrum 1 weight 0.11000E+01 volume 0.11573E-02 ppm1 1.911 ppm2 3.856 CV 1 ASSI { 294} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 103 and name HA )) 2.100 0.500 0.500 peak 294 spectrum 1 weight 0.11000E+01 volume 0.78306E-02 ppm1 3.825 ppm2 4.613 CV 1 ASSI { 295} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 104 and name HA )) 3.700 1.700 1.700 peak 295 spectrum 1 weight 0.11000E+01 volume 0.10661E-02 ppm1 3.818 ppm2 4.418 CV 1 ASSI { 298} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 104 and name HG2 )) 2.400 0.700 0.700 peak 298 spectrum 1 weight 0.11000E+01 volume 0.65684E-02 ppm1 3.827 ppm2 2.033 CV 1 OR { 298} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 104 and name HG1 )) ASSI { 299} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 107 and name HB2 )) 3.500 3.500 2.500 peak 299 spectrum 1 weight 0.11000E+01 volume 0.13290E-02 ppm1 3.834 ppm2 4.019 CV 1 ASSI { 300} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 300 spectrum 1 weight 0.11000E+01 volume 0.76024E-02 ppm1 3.635 ppm2 4.615 CV 1 ASSI { 301} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 103 and name HB2 )) 3.300 1.300 1.300 peak 301 spectrum 1 weight 0.11000E+01 volume 0.29066E-02 ppm1 3.636 ppm2 1.829 CV 1 ASSI { 302} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 302 spectrum 1 weight 0.11000E+01 volume 0.17646E-02 ppm1 3.635 ppm2 4.411 CV 1 ASSI { 303} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HB1 )) 4.500 2.600 1.500 peak 303 spectrum 1 weight 0.11000E+01 volume 0.68257E-03 ppm1 3.639 ppm2 2.286 CV 1 ASSI { 304} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HD1 )) 1.500 0.300 0.700 peak 304 spectrum 1 weight 0.11000E+01 volume 0.43805E-01 ppm1 3.635 ppm2 3.836 CV 1 ASSI { 305} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HG1 )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.11000E+01 volume 0.48081E-02 ppm1 3.621 ppm2 2.013 CV 1 OR { 305} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 306} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 105 and name HB2 )) 3.000 3.000 3.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.31233E-02 ppm1 3.635 ppm2 1.850 CV 1 ASSI { 307} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 3.900 1.900 1.900 peak 307 spectrum 1 weight 0.11000E+01 volume 0.17396E-02 ppm1 2.012 ppm2 4.396 CV 1 OR { 307} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HA )) ASSI { 308} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HB1 )) 2.100 0.600 0.600 peak 308 spectrum 1 weight 0.11000E+01 volume 0.15706E-01 ppm1 2.019 ppm2 2.292 CV 1 OR { 308} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB1 )) ASSI { 311} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 3.200 1.300 1.300 peak 311 spectrum 1 weight 0.11000E+01 volume 0.15071E-02 ppm1 4.356 ppm2 1.861 CV 1 ASSI { 312} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 104 and name HD2 )) 3.600 1.600 1.600 peak 312 spectrum 1 weight 0.11000E+01 volume 0.96358E-03 ppm1 1.813 ppm2 3.637 CV 1 ASSI { 314} (( segid " " and resid 105 and name HD2 )) (( segid " " and resid 104 and name HD2 )) 3.300 3.300 2.700 peak 314 spectrum 1 weight 0.11000E+01 volume 0.17644E-02 ppm1 1.692 ppm2 3.646 CV 1 OR { 314} (( segid " " and resid 105 and name HD1 )) (( segid " " and resid 104 and name HD2 )) ASSI { 315} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 105 and name HD2 )) 2.500 2.500 3.500 peak 315 spectrum 1 weight 0.11000E+01 volume 0.69529E-02 ppm1 1.335 ppm2 1.666 CV 1 OR { 315} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 105 and name HD1 )) ASSI { 316} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB )) 2.600 0.800 0.800 peak 316 spectrum 1 weight 0.11000E+01 volume 0.74275E-02 ppm1 4.366 ppm2 4.201 CV 1 ASSI { 317} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HG2%) 3.700 1.700 1.700 peak 317 spectrum 1 weight 0.11000E+01 volume 0.76675E-03 ppm1 4.379 ppm2 1.238 CV 1 OR { 317} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HG1 )) ASSI { 320} (( segid " " and resid 106 and name HB )) (( segid " " and resid 107 and name HB2 )) 3.600 1.700 1.700 peak 320 spectrum 1 weight 0.11000E+01 volume 0.17786E-02 ppm1 4.201 ppm2 4.033 CV 1 ASSI { 321} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 106 and name HB )) 2.600 0.900 0.900 peak 321 spectrum 1 weight 0.11000E+01 volume 0.53516E-02 ppm1 1.200 ppm2 4.204 CV 1 OR { 321} (( segid " " and resid 106 and name HG1 )) (( segid " " and resid 106 and name HB )) ASSI { 322} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 109 and name HD1 )) 3.800 1.800 1.800 peak 322 spectrum 1 weight 0.11000E+01 volume 0.74588E-03 ppm1 1.228 ppm2 1.648 CV 1 OR { 322} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 109 and name HD2 )) ASSI { 323} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB1 )) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.11000E+01 volume 0.34329E-02 ppm1 4.483 ppm2 3.861 CV 1 ASSI { 324} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 106 and name HB )) 3.900 3.900 2.100 peak 324 spectrum 1 weight 0.11000E+01 volume 0.12033E-02 ppm1 3.835 ppm2 4.211 CV 1 ASSI { 326} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB1 )) 3.200 1.200 1.200 peak 326 spectrum 1 weight 0.11000E+01 volume 0.20232E-02 ppm1 4.483 ppm2 2.040 CV 1 ASSI { 327} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HG1 )) 3.900 1.900 1.900 peak 327 spectrum 1 weight 0.11000E+01 volume 0.63229E-03 ppm1 4.483 ppm2 2.536 CV 1 ASSI { 329} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HB1 )) 1.400 0.300 0.800 peak 329 spectrum 1 weight 0.11000E+01 volume 0.60662E-01 ppm1 1.982 ppm2 2.035 CV 1 ASSI { 331} ( segid " " and resid 108 and name HE% ) (( segid " " and resid 109 and name HB2 )) 3.700 1.700 1.700 peak 331 spectrum 1 weight 0.11000E+01 volume 0.98673E-03 ppm1 2.085 ppm2 1.707 CV 1 OR { 331} ( segid " " and resid 108 and name HE% ) (( segid " " and resid 109 and name HB1 )) ASSI { 332} ( segid " " and resid 108 and name HE% ) (( segid " " and resid 109 and name HG1 )) 3.800 1.800 1.800 peak 332 spectrum 1 weight 0.11000E+01 volume 0.94746E-03 ppm1 2.088 ppm2 1.382 CV 1 ASSI { 333} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) 3.000 1.100 1.100 peak 333 spectrum 1 weight 0.11000E+01 volume 0.20944E-02 ppm1 4.257 ppm2 1.728 CV 1 OR { 333} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) ASSI { 334} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG1 )) 4.300 4.300 1.700 peak 334 spectrum 1 weight 0.11000E+01 volume 0.47147E-03 ppm1 4.286 ppm2 1.324 CV 1 ASSI { 335} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HA )) 4.700 2.700 1.300 peak 335 spectrum 1 weight 0.11000E+01 volume 0.36455E-03 ppm1 4.261 ppm2 4.673 CV 1 ASSI { 337} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HG1 )) 2.800 1.000 1.000 peak 337 spectrum 1 weight 0.11000E+01 volume 0.27661E-02 ppm1 1.731 ppm2 1.377 CV 1 OR { 337} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 109 and name HG1 )) ASSI { 339} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HD1 )) 2.000 0.500 0.500 peak 339 spectrum 1 weight 0.11000E+01 volume 0.22486E-01 ppm1 1.413 ppm2 1.643 CV 1 OR { 339} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HD2 )) ASSI { 340} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HE1 )) 3.100 3.100 2.900 peak 340 spectrum 1 weight 0.11000E+01 volume 0.21788E-02 ppm1 1.410 ppm2 2.910 CV 1 OR { 340} (( segid " " and resid 109 and name HG1 )) (( segid " " and resid 109 and name HE2 )) ASSI { 341} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB1 )) 2.700 2.700 3.300 peak 341 spectrum 1 weight 0.11000E+01 volume 0.52614E-02 ppm1 4.666 ppm2 3.109 CV 1 ASSI { 342} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 107 and name HB2 )) 3.300 3.300 2.700 peak 342 spectrum 1 weight 0.11000E+01 volume 0.97267E-03 ppm1 3.093 ppm2 4.019 CV 1 ASSI { 344} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD1 )) 3.600 1.700 1.700 peak 344 spectrum 1 weight 0.11000E+01 volume 0.83845E-03 ppm1 3.102 ppm2 7.089 CV 1 ASSI { 345} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD1 )) 3.700 1.700 1.700 peak 345 spectrum 1 weight 0.11000E+01 volume 0.85954E-03 ppm1 3.144 ppm2 7.103 CV 1 ASSI { 346} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.900 1.900 1.900 peak 346 spectrum 1 weight 0.11000E+01 volume 0.84700E-03 ppm1 3.136 ppm2 4.061 CV 1 ASSI { 347} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB )) 2.700 0.900 0.900 peak 347 spectrum 1 weight 0.11000E+01 volume 0.41385E-02 ppm1 4.084 ppm2 2.042 CV 1 ASSI { 348} (( segid " " and resid 111 and name HA )) ( segid " " and resid 111 and name HG1%) 2.700 0.900 0.900 peak 348 spectrum 1 weight 0.11000E+01 volume 0.65381E-02 ppm1 4.067 ppm2 0.881 CV 1 ASSI { 350} (( segid " " and resid 111 and name HB )) ( segid " " and resid 111 and name HG1%) 2.300 0.700 0.700 peak 350 spectrum 1 weight 0.11000E+01 volume 0.10319E-01 ppm1 2.014 ppm2 0.881 CV 1 ASSI { 351} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 110 and name HN )) 3.400 1.400 1.400 peak 351 spectrum 1 weight 0.11000E+01 volume 0.14597E-02 ppm1 0.895 ppm2 8.564 CV 1 ASSI { 355} (( segid " " and resid 112 and name HA )) ( segid " " and resid 111 and name HG1%) 4.900 3.000 1.100 peak 355 spectrum 1 weight 0.11000E+01 volume 0.22808E-03 ppm1 4.326 ppm2 0.897 CV 1 ASSI { 356} (( segid " " and resid 112 and name HA )) ( segid " " and resid 112 and name HB% ) 2.200 0.600 0.600 peak 356 spectrum 1 weight 0.11000E+01 volume 0.15399E-01 ppm1 4.287 ppm2 1.380 CV 1 ASSI { 357} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 111 and name HG1%) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.11000E+01 volume 0.40122E-02 ppm1 1.378 ppm2 0.900 CV 1 ASSI { 358} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 111 and name HG2%) 3.000 1.200 1.200 peak 358 spectrum 1 weight 0.11000E+01 volume 0.37590E-02 ppm1 1.377 ppm2 1.000 CV 1 ASSI { 359} (( segid " " and resid 113 and name HA1 )) ( segid " " and resid 114 and name HB% ) 4.100 2.100 1.900 peak 359 spectrum 1 weight 0.11000E+01 volume 0.95464E-03 ppm1 3.947 ppm2 1.413 CV 1 OR { 359} (( segid " " and resid 113 and name HA2 )) ( segid " " and resid 114 and name HB% ) ASSI { 360} (( segid " " and resid 114 and name HA )) ( segid " " and resid 114 and name HB% ) 2.200 0.600 0.600 peak 360 spectrum 1 weight 0.11000E+01 volume 0.15399E-01 ppm1 4.287 ppm2 1.380 CV 1 ASSI { 363} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HB% ) 2.200 0.600 0.600 peak 363 spectrum 1 weight 0.11000E+01 volume 0.14462E-01 ppm1 4.278 ppm2 1.379 CV 1 ASSI { 366} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HB% ) 2.200 0.600 0.600 peak 366 spectrum 1 weight 0.11000E+01 volume 0.15399E-01 ppm1 4.287 ppm2 1.379 CV 1 ASSI { 367} (( segid " " and resid 117 and name HA )) ( segid " " and resid 117 and name HB% ) 2.200 0.600 0.600 peak 367 spectrum 1 weight 0.11000E+01 volume 0.15132E-01 ppm1 4.289 ppm2 1.383 CV 1 ASSI { 369} (( segid " " and resid 118 and name HA1 )) ( segid " " and resid 119 and name HB% ) 3.700 1.700 1.700 peak 369 spectrum 1 weight 0.11000E+01 volume 0.15905E-02 ppm1 3.933 ppm2 1.373 CV 1 OR { 369} (( segid " " and resid 118 and name HA2 )) ( segid " " and resid 119 and name HB% ) ASSI { 372} ( segid " " and resid 119 and name HB% ) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 372 spectrum 1 weight 0.11000E+01 volume 0.10476E-01 ppm1 1.354 ppm2 4.350 CV 1 ASSI { 373} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.11000E+01 volume 0.30259E-02 ppm1 4.132 ppm2 2.015 CV 1 ASSI { 374} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HG2%) 2.700 0.900 0.900 peak 374 spectrum 1 weight 0.11000E+01 volume 0.81849E-02 ppm1 4.132 ppm2 0.876 CV 1 ASSI { 375} (( segid " " and resid 120 and name HB )) ( segid " " and resid 120 and name HG2%) 2.300 0.600 0.600 peak 375 spectrum 1 weight 0.11000E+01 volume 0.10244E-01 ppm1 2.017 ppm2 0.883 CV 1 ASSI { 376} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 118 and name HA2 )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.11000E+01 volume 0.63276E-02 ppm1 0.960 ppm2 3.909 CV 1 OR { 376} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 118 and name HA1 )) ASSI { 378} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 121 and name HA )) 2.400 2.400 3.600 peak 378 spectrum 1 weight 0.11000E+01 volume 0.16949E-01 ppm1 0.888 ppm2 4.065 CV 1 ASSI { 379} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 122 and name HA2 )) 3.100 3.100 2.900 peak 379 spectrum 1 weight 0.11000E+01 volume 0.34520E-02 ppm1 0.845 ppm2 3.970 CV 1 OR { 379} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 122 and name HA1 )) ASSI { 381} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB )) 2.700 0.900 0.900 peak 381 spectrum 1 weight 0.11000E+01 volume 0.29413E-02 ppm1 4.080 ppm2 2.015 CV 1 ASSI { 383} ( segid " " and resid 121 and name HG1%) ( segid " " and resid 124 and name HD2%) 3.000 1.100 1.100 peak 383 spectrum 1 weight 0.11000E+01 volume 0.28711E-02 ppm1 0.891 ppm2 0.514 CV 1 ASSI { 385} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 121 and name HB )) 4.300 2.300 1.700 peak 385 spectrum 1 weight 0.11000E+01 volume 0.61387E-03 ppm1 3.943 ppm2 2.011 CV 1 OR { 385} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 121 and name HB )) ASSI { 386} (( segid " " and resid 122 and name HA1 )) ( segid " " and resid 121 and name HG1%) 4.100 2.100 1.900 peak 386 spectrum 1 weight 0.11000E+01 volume 0.12842E-02 ppm1 3.924 ppm2 0.877 CV 1 OR { 386} (( segid " " and resid 122 and name HA2 )) ( segid " " and resid 121 and name HG1%) ASSI { 387} (( segid " " and resid 123 and name HA2 )) ( segid " " and resid 124 and name HD2%) 4.400 2.500 1.600 peak 387 spectrum 1 weight 0.11000E+01 volume 0.69453E-03 ppm1 3.962 ppm2 0.564 CV 1 OR { 387} (( segid " " and resid 123 and name HA1 )) ( segid " " and resid 124 and name HD2%) ASSI { 388} (( segid " " and resid 124 and name HA )) (( segid " " and resid 123 and name HA2 )) 4.100 2.100 1.900 peak 388 spectrum 1 weight 0.11000E+01 volume 0.66789E-03 ppm1 4.346 ppm2 3.950 CV 1 OR { 388} (( segid " " and resid 124 and name HA )) (( segid " " and resid 123 and name HA1 )) ASSI { 389} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 389 spectrum 1 weight 0.11000E+01 volume 0.45943E-02 ppm1 4.338 ppm2 1.557 CV 1 ASSI { 390} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 2.800 1.000 1.000 peak 390 spectrum 1 weight 0.11000E+01 volume 0.32002E-02 ppm1 4.339 ppm2 1.608 CV 1 ASSI { 392} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HD2%) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.11000E+01 volume 0.43580E-02 ppm1 4.340 ppm2 0.526 CV 1 ASSI { 393} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG )) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.11000E+01 volume 0.30865E-02 ppm1 4.331 ppm2 1.479 CV 1 ASSI { 394} (( segid " " and resid 124 and name HA )) (( segid " " and resid 126 and name HA2 )) 4.300 2.400 1.700 peak 394 spectrum 1 weight 0.11000E+01 volume 0.78150E-03 ppm1 4.346 ppm2 3.921 CV 1 ASSI { 395} (( segid " " and resid 124 and name HA )) ( segid " " and resid 127 and name HD% ) 3.100 1.200 1.200 peak 395 spectrum 1 weight 0.11000E+01 volume 0.14885E-02 ppm1 4.345 ppm2 6.847 CV 1 ASSI { 396} (( segid " " and resid 124 and name HA )) ( segid " " and resid 161 and name HD% ) 3.800 3.800 2.200 peak 396 spectrum 1 weight 0.11000E+01 volume 0.13948E-02 ppm1 4.328 ppm2 6.879 CV 1 ASSI { 398} (( segid " " and resid 124 and name HA )) ( segid " " and resid 181 and name HD1%) 5.300 3.500 0.700 peak 398 spectrum 1 weight 0.11000E+01 volume 0.21078E-03 ppm1 4.323 ppm2 0.422 CV 1 ASSI { 400} (( segid " " and resid 124 and name HB1 )) ( segid " " and resid 121 and name HG1%) 4.600 2.600 1.400 peak 400 spectrum 1 weight 0.11000E+01 volume 0.45175E-03 ppm1 1.544 ppm2 0.895 CV 1 ASSI { 404} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 127 and name HB1 )) 5.700 5.700 0.300 peak 404 spectrum 1 weight 0.11000E+01 volume 0.17499E-03 ppm1 1.525 ppm2 2.863 CV 1 ASSI { 405} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 127 and name HB2 )) 4.000 4.000 2.000 peak 405 spectrum 1 weight 0.11000E+01 volume 0.36041E-03 ppm1 1.523 ppm2 2.933 CV 1 ASSI { 406} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 121 and name HG1%) 4.600 2.600 1.400 peak 406 spectrum 1 weight 0.11000E+01 volume 0.41862E-03 ppm1 1.605 ppm2 0.903 CV 1 ASSI { 408} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 124 and name HD1%) 3.200 3.200 2.800 peak 408 spectrum 1 weight 0.11000E+01 volume 0.13821E-02 ppm1 1.569 ppm2 0.610 CV 1 ASSI { 409} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 124 and name HD2%) 3.400 1.400 1.400 peak 409 spectrum 1 weight 0.11000E+01 volume 0.15461E-02 ppm1 1.602 ppm2 0.559 CV 1 ASSI { 411} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 127 and name HD% ) 4.200 2.200 1.800 peak 411 spectrum 1 weight 0.11000E+01 volume 0.41035E-03 ppm1 1.617 ppm2 6.857 CV 1 ASSI { 412} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 121 and name HG1%) 3.200 1.300 1.300 peak 412 spectrum 1 weight 0.11000E+01 volume 0.21324E-02 ppm1 0.631 ppm2 0.907 CV 1 ASSI { 413} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HA )) 3.400 1.500 1.500 peak 413 spectrum 1 weight 0.11000E+01 volume 0.22924E-02 ppm1 0.634 ppm2 4.341 CV 1 ASSI { 414} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB1 )) 2.600 0.900 0.900 peak 414 spectrum 1 weight 0.11000E+01 volume 0.58922E-02 ppm1 0.633 ppm2 1.541 CV 1 ASSI { 415} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 124 and name HD2%) 2.200 0.600 0.600 peak 415 spectrum 1 weight 0.11000E+01 volume 0.13592E-01 ppm1 0.632 ppm2 0.523 CV 1 ASSI { 416} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.11000E+01 volume 0.26066E-02 ppm1 0.640 ppm2 1.462 CV 1 ASSI { 417} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 127 and name HD% ) 3.800 1.800 1.800 peak 417 spectrum 1 weight 0.11000E+01 volume 0.95796E-03 ppm1 0.632 ppm2 6.841 CV 1 ASSI { 419} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 181 and name HD1%) 4.000 4.000 2.000 peak 419 spectrum 1 weight 0.11000E+01 volume 0.19937E-02 ppm1 0.635 ppm2 0.378 CV 1 ASSI { 420} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 181 and name HG11)) 3.200 3.200 2.800 peak 420 spectrum 1 weight 0.11000E+01 volume 0.44324E-02 ppm1 0.633 ppm2 0.800 CV 1 ASSI { 421} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 181 and name HG2%) 2.900 1.100 1.100 peak 421 spectrum 1 weight 0.11000E+01 volume 0.23085E-02 ppm1 0.632 ppm2 0.252 CV 1 ASSI { 422} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HA )) 4.600 2.700 1.400 peak 422 spectrum 1 weight 0.11000E+01 volume 0.40883E-03 ppm1 0.641 ppm2 4.031 CV 1 ASSI { 423} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HB2 )) 3.800 1.800 1.800 peak 423 spectrum 1 weight 0.11000E+01 volume 0.98001E-03 ppm1 0.630 ppm2 2.157 CV 1 OR { 423} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 185 and name HB1 )) ASSI { 427} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HB1 )) 2.500 0.800 0.800 peak 427 spectrum 1 weight 0.11000E+01 volume 0.53666E-02 ppm1 0.529 ppm2 1.536 CV 1 ASSI { 431} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 127 and name HD% ) 4.000 2.000 2.000 peak 431 spectrum 1 weight 0.11000E+01 volume 0.11212E-02 ppm1 0.532 ppm2 6.837 CV 1 ASSI { 433} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 161 and name HH )) 3.000 1.200 1.200 peak 433 spectrum 1 weight 0.11000E+01 volume 0.35163E-02 ppm1 0.528 ppm2 8.590 CV 1 ASSI { 434} ( segid " " and resid 124 and name HD2%) ( segid " " and resid 181 and name HG2%) 2.800 0.900 0.900 peak 434 spectrum 1 weight 0.11000E+01 volume 0.35163E-02 ppm1 0.528 ppm2 0.252 CV 1 ASSI { 436} (( segid " " and resid 124 and name HG )) (( segid " " and resid 123 and name HA2 )) 4.000 2.000 2.000 peak 436 spectrum 1 weight 0.11000E+01 volume 0.12986E-02 ppm1 1.490 ppm2 3.982 CV 1 OR { 436} (( segid " " and resid 124 and name HG )) (( segid " " and resid 123 and name HA1 )) ASSI { 439} (( segid " " and resid 124 and name HG )) ( segid " " and resid 124 and name HD2%) 3.000 1.200 1.200 peak 439 spectrum 1 weight 0.11000E+01 volume 0.16086E-02 ppm1 1.474 ppm2 0.537 CV 1 ASSI { 440} (( segid " " and resid 125 and name HA1 )) (( segid " " and resid 121 and name HB )) 4.500 4.500 1.500 peak 440 spectrum 1 weight 0.11000E+01 volume 0.35217E-03 ppm1 3.859 ppm2 2.004 CV 1 ASSI { 441} (( segid " " and resid 125 and name HA1 )) (( segid " " and resid 124 and name HA )) 4.500 2.500 1.500 peak 441 spectrum 1 weight 0.11000E+01 volume 0.50151E-03 ppm1 3.859 ppm2 4.348 CV 1 ASSI { 442} (( segid " " and resid 125 and name HA1 )) (( segid " " and resid 126 and name HA2 )) 2.600 2.600 3.400 peak 442 spectrum 1 weight 0.11000E+01 volume 0.11980E-01 ppm1 3.859 ppm2 3.933 CV 1 ASSI { 443} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 124 and name HA )) 4.100 2.100 1.900 peak 443 spectrum 1 weight 0.11000E+01 volume 0.84394E-03 ppm1 3.792 ppm2 4.359 CV 1 ASSI { 444} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 127 and name HA )) 4.100 2.100 1.900 peak 444 spectrum 1 weight 0.11000E+01 volume 0.15551E-02 ppm1 3.935 ppm2 4.436 CV 1 ASSI { 445} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 128 and name HA )) 3.400 3.400 2.600 peak 445 spectrum 1 weight 0.11000E+01 volume 0.13049E-02 ppm1 3.937 ppm2 4.510 CV 1 ASSI { 446} (( segid " " and resid 127 and name HA )) (( segid " " and resid 124 and name HB2 )) 5.500 3.800 0.500 peak 446 spectrum 1 weight 0.11000E+01 volume 0.54661E-03 ppm1 4.414 ppm2 1.615 CV 1 ASSI { 448} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) 3.000 1.100 1.100 peak 448 spectrum 1 weight 0.11000E+01 volume 0.12674E-02 ppm1 4.416 ppm2 2.836 CV 1 ASSI { 449} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 3.200 1.300 1.300 peak 449 spectrum 1 weight 0.11000E+01 volume 0.17962E-02 ppm1 4.412 ppm2 2.929 CV 1 ASSI { 450} (( segid " " and resid 127 and name HA )) ( segid " " and resid 127 and name HD% ) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.11000E+01 volume 0.14161E-02 ppm1 4.423 ppm2 6.867 CV 1 ASSI { 451} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HH )) 5.200 5.200 0.800 peak 451 spectrum 1 weight 0.11000E+01 volume 0.43587E-03 ppm1 4.405 ppm2 8.591 CV 1 ASSI { 452} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HA )) 3.100 1.200 1.200 peak 452 spectrum 1 weight 0.11000E+01 volume 0.43268E-02 ppm1 4.409 ppm2 4.511 CV 1 ASSI { 453} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HB2 )) 5.500 5.500 0.500 peak 453 spectrum 1 weight 0.11000E+01 volume 0.67552E-03 ppm1 4.409 ppm2 0.962 CV 1 ASSI { 454} (( segid " " and resid 127 and name HA )) ( segid " " and resid 128 and name HE% ) 5.000 5.000 1.000 peak 454 spectrum 1 weight 0.11000E+01 volume 0.54720E-03 ppm1 4.407 ppm2 1.973 CV 1 ASSI { 455} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HG1 )) 4.900 3.000 1.100 peak 455 spectrum 1 weight 0.11000E+01 volume 0.51173E-03 ppm1 4.402 ppm2 2.236 CV 1 ASSI { 456} (( segid " " and resid 127 and name HA )) (( segid " " and resid 163 and name HA )) 3.600 1.600 1.600 peak 456 spectrum 1 weight 0.11000E+01 volume 0.14069E-02 ppm1 4.409 ppm2 4.643 CV 1 ASSI { 457} (( segid " " and resid 127 and name HA )) (( segid " " and resid 163 and name HN )) 4.400 2.400 1.600 peak 457 spectrum 1 weight 0.11000E+01 volume 0.24960E-03 ppm1 4.407 ppm2 7.962 CV 1 ASSI { 460} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 127 and name HD% ) 3.400 1.500 1.500 peak 460 spectrum 1 weight 0.11000E+01 volume 0.95495E-03 ppm1 2.892 ppm2 6.851 CV 1 ASSI { 461} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 161 and name HB1 )) 3.400 1.400 1.400 peak 461 spectrum 1 weight 0.11000E+01 volume 0.53175E-03 ppm1 2.863 ppm2 2.614 CV 1 ASSI { 462} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 161 and name HB2 )) 4.800 4.800 1.200 peak 462 spectrum 1 weight 0.11000E+01 volume 0.45962E-03 ppm1 2.863 ppm2 2.551 CV 1 ASSI { 464} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 163 and name HA )) 4.300 4.300 1.700 peak 464 spectrum 1 weight 0.11000E+01 volume 0.80599E-03 ppm1 2.869 ppm2 4.683 CV 1 ASSI { 465} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 124 and name HB2 )) 3.400 1.500 1.500 peak 465 spectrum 1 weight 0.11000E+01 volume 0.61235E-03 ppm1 2.928 ppm2 1.613 CV 1 ASSI { 467} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 127 and name HD% ) 3.100 1.200 1.200 peak 467 spectrum 1 weight 0.11000E+01 volume 0.12205E-02 ppm1 2.941 ppm2 6.880 CV 1 ASSI { 468} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 161 and name HA )) 5.100 3.200 0.900 peak 468 spectrum 1 weight 0.11000E+01 volume 0.29928E-03 ppm1 2.930 ppm2 5.611 CV 1 ASSI { 471} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 181 and name HG12)) 5.500 3.700 0.500 peak 471 spectrum 1 weight 0.11000E+01 volume 0.30030E-03 ppm1 2.958 ppm2 1.016 CV 1 ASSI { 472} (( segid " " and resid 128 and name HA )) (( segid " " and resid 127 and name HB2 )) 4.700 2.800 1.300 peak 472 spectrum 1 weight 0.11000E+01 volume 0.31040E-03 ppm1 4.492 ppm2 2.940 CV 1 ASSI { 474} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.11000E+01 volume 0.30886E-02 ppm1 4.504 ppm2 1.599 CV 1 ASSI { 475} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 2.700 0.900 0.900 peak 475 spectrum 1 weight 0.11000E+01 volume 0.24612E-02 ppm1 4.499 ppm2 1.039 CV 1 ASSI { 476} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG1 )) 3.100 1.200 1.200 peak 476 spectrum 1 weight 0.11000E+01 volume 0.32142E-02 ppm1 4.499 ppm2 2.217 CV 1 ASSI { 477} (( segid " " and resid 128 and name HA )) ( segid " " and resid 129 and name HD1%) 5.600 3.900 0.400 peak 477 spectrum 1 weight 0.11000E+01 volume 0.40280E-03 ppm1 4.487 ppm2 0.604 CV 1 ASSI { 478} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HN )) 4.500 4.500 1.500 peak 478 spectrum 1 weight 0.11000E+01 volume 0.39269E-03 ppm1 4.471 ppm2 8.356 CV 1 ASSI { 479} (( segid " " and resid 128 and name HA )) (( segid " " and resid 161 and name HA )) 4.400 4.400 1.600 peak 479 spectrum 1 weight 0.11000E+01 volume 0.90891E-03 ppm1 4.544 ppm2 5.593 CV 1 ASSI { 480} (( segid " " and resid 128 and name HA )) (( segid " " and resid 163 and name HA )) 4.800 2.900 1.200 peak 480 spectrum 1 weight 0.11000E+01 volume 0.57482E-03 ppm1 4.487 ppm2 4.643 CV 1 ASSI { 482} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HB2 )) 2.000 0.500 0.500 peak 482 spectrum 1 weight 0.11000E+01 volume 0.51973E-02 ppm1 1.583 ppm2 1.034 CV 1 ASSI { 488} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 216 and name HB1 )) 3.800 1.800 1.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.93755E-03 ppm1 1.972 ppm2 2.336 CV 1 ASSI { 489} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 213 and name HA )) 5.300 3.500 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.45328E-03 ppm1 1.973 ppm2 4.338 CV 1 ASSI { 490} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HB1 )) 3.500 1.500 1.500 peak 490 spectrum 1 weight 0.11000E+01 volume 0.38174E-02 ppm1 1.971 ppm2 1.590 CV 1 ASSI { 491} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HB2 )) 3.200 1.300 1.300 peak 491 spectrum 1 weight 0.11000E+01 volume 0.29841E-02 ppm1 1.972 ppm2 1.011 CV 1 ASSI { 493} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 128 and name HG2 )) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.11000E+01 volume 0.99979E-02 ppm1 1.971 ppm2 2.137 CV 1 ASSI { 494} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 129 and name HA )) 3.800 1.800 1.800 peak 494 spectrum 1 weight 0.11000E+01 volume 0.21374E-02 ppm1 1.971 ppm2 4.566 CV 1 ASSI { 495} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 129 and name HG )) 4.100 2.100 1.900 peak 495 spectrum 1 weight 0.11000E+01 volume 0.12934E-02 ppm1 1.970 ppm2 1.382 CV 1 ASSI { 496} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 162 and name HD% ) 3.900 1.900 1.900 peak 496 spectrum 1 weight 0.11000E+01 volume 0.96447E-03 ppm1 1.974 ppm2 7.208 CV 1 ASSI { 497} ( segid " " and resid 128 and name HE% ) ( segid " " and resid 162 and name HE% ) 3.100 1.200 1.200 peak 497 spectrum 1 weight 0.11000E+01 volume 0.20143E-02 ppm1 1.971 ppm2 6.504 CV 1 ASSI { 498} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 163 and name HB1 )) 3.200 3.200 2.800 peak 498 spectrum 1 weight 0.11000E+01 volume 0.88360E-02 ppm1 1.971 ppm2 1.813 CV 1 ASSI { 499} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 163 and name HG1 )) 3.600 3.600 2.400 peak 499 spectrum 1 weight 0.11000E+01 volume 0.21241E-02 ppm1 1.971 ppm2 1.678 CV 1 ASSI { 500} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HB2 )) 4.300 2.300 1.700 peak 500 spectrum 1 weight 0.11000E+01 volume 0.10385E-02 ppm1 1.971 ppm2 2.465 CV 1 ASSI { 501} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HD1 )) 4.700 2.700 1.300 peak 501 spectrum 1 weight 0.11000E+01 volume 0.80530E-03 ppm1 1.972 ppm2 3.421 CV 1 ASSI { 502} ( segid " " and resid 128 and name HE% ) (( segid " " and resid 164 and name HD2 )) 4.800 2.900 1.200 peak 502 spectrum 1 weight 0.11000E+01 volume 0.10469E-02 ppm1 1.971 ppm2 3.686 CV 1 ASSI { 504} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HB1 )) 2.900 1.000 1.000 peak 504 spectrum 1 weight 0.11000E+01 volume 0.25931E-02 ppm1 2.218 ppm2 1.588 CV 1 ASSI { 505} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HB2 )) 2.500 0.800 0.800 peak 505 spectrum 1 weight 0.11000E+01 volume 0.86166E-02 ppm1 2.210 ppm2 1.029 CV 1 ASSI { 506} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 128 and name HE% ) 2.300 0.700 0.700 peak 506 spectrum 1 weight 0.11000E+01 volume 0.47684E-02 ppm1 2.214 ppm2 1.974 CV 1 ASSI { 508} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 2.900 2.900 3.100 peak 508 spectrum 1 weight 0.11000E+01 volume 0.32678E-02 ppm1 4.499 ppm2 1.596 CV 1 ASSI { 509} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 2.900 2.900 3.100 peak 509 spectrum 1 weight 0.11000E+01 volume 0.15303E-02 ppm1 4.512 ppm2 1.003 CV 1 ASSI { 511} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HG )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.11000E+01 volume 0.90152E-03 ppm1 4.529 ppm2 1.390 CV 1 ASSI { 512} (( segid " " and resid 129 and name HA )) (( segid " " and resid 131 and name HN )) 3.200 3.200 2.800 peak 512 spectrum 1 weight 0.11000E+01 volume 0.28235E-02 ppm1 4.535 ppm2 8.334 CV 1 ASSI { 513} (( segid " " and resid 129 and name HA )) (( segid " " and resid 161 and name HA )) 2.900 1.000 1.000 peak 513 spectrum 1 weight 0.11000E+01 volume 0.13821E-02 ppm1 4.529 ppm2 5.586 CV 1 ASSI { 514} (( segid " " and resid 129 and name HA )) ( segid " " and resid 161 and name HD% ) 4.400 2.400 1.600 peak 514 spectrum 1 weight 0.11000E+01 volume 0.23599E-03 ppm1 4.526 ppm2 6.900 CV 1 ASSI { 516} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HB2 )) 2.300 2.300 3.700 peak 516 spectrum 1 weight 0.11000E+01 volume 0.30420E-02 ppm1 1.610 ppm2 0.996 CV 1 ASSI { 517} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 129 and name HD1%) 3.700 3.700 2.300 peak 517 spectrum 1 weight 0.11000E+01 volume 0.20245E-02 ppm1 1.609 ppm2 0.610 CV 1 ASSI { 518} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 129 and name HD2%) 3.100 3.100 2.900 peak 518 spectrum 1 weight 0.11000E+01 volume 0.10196E-02 ppm1 1.616 ppm2 -0.003 CV 1 ASSI { 519} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HG )) 3.300 3.300 2.700 peak 519 spectrum 1 weight 0.11000E+01 volume 0.11982E-02 ppm1 1.608 ppm2 1.384 CV 1 ASSI { 522} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD1%) 3.000 3.000 3.000 peak 522 spectrum 1 weight 0.11000E+01 volume 0.14153E-02 ppm1 0.994 ppm2 0.606 CV 1 ASSI { 523} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD2%) 3.900 3.900 2.100 peak 523 spectrum 1 weight 0.11000E+01 volume 0.12246E-02 ppm1 0.994 ppm2 -0.008 CV 1 ASSI { 524} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HG )) 3.400 3.400 2.600 peak 524 spectrum 1 weight 0.11000E+01 volume 0.10051E-02 ppm1 1.001 ppm2 1.368 CV 1 ASSI { 525} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 161 and name HA )) 4.800 4.800 1.200 peak 525 spectrum 1 weight 0.11000E+01 volume 0.41194E-03 ppm1 1.004 ppm2 5.641 CV 1 ASSI { 527} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 128 and name HE% ) 4.400 2.400 1.600 peak 527 spectrum 1 weight 0.11000E+01 volume 0.11211E-02 ppm1 0.610 ppm2 1.997 CV 1 ASSI { 528} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HA )) 3.400 1.400 1.400 peak 528 spectrum 1 weight 0.11000E+01 volume 0.19876E-02 ppm1 0.608 ppm2 4.532 CV 1 ASSI { 531} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 129 and name HD2%) 2.400 0.700 0.700 peak 531 spectrum 1 weight 0.11000E+01 volume 0.92182E-02 ppm1 0.609 ppm2 -0.001 CV 1 ASSI { 532} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HG )) 2.300 0.600 0.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.87049E-02 ppm1 0.609 ppm2 1.399 CV 1 ASSI { 533} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HB1 )) 4.300 2.300 1.700 peak 533 spectrum 1 weight 0.11000E+01 volume 0.11211E-02 ppm1 0.610 ppm2 1.997 CV 1 ASSI { 534} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 159 and name HE21)) 3.500 1.600 1.600 peak 534 spectrum 1 weight 0.11000E+01 volume 0.10346E-02 ppm1 0.609 ppm2 6.790 CV 1 ASSI { 535} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 160 and name HN )) 4.200 2.200 1.800 peak 535 spectrum 1 weight 0.11000E+01 volume 0.72438E-03 ppm1 0.607 ppm2 8.509 CV 1 ASSI { 536} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 161 and name HD% ) 3.800 1.800 1.800 peak 536 spectrum 1 weight 0.11000E+01 volume 0.55160E-03 ppm1 0.610 ppm2 6.935 CV 1 ASSI { 537} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 182 and name HA )) 4.100 2.100 1.900 peak 537 spectrum 1 weight 0.11000E+01 volume 0.32590E-02 ppm1 0.604 ppm2 4.096 CV 1 ASSI { 538} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 128 and name HE% ) 3.500 1.600 1.600 peak 538 spectrum 1 weight 0.11000E+01 volume 0.25686E-02 ppm1 -0.002 ppm2 1.987 CV 1 ASSI { 539} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HA )) 3.300 1.300 1.300 peak 539 spectrum 1 weight 0.11000E+01 volume 0.47029E-02 ppm1 -0.002 ppm2 4.528 CV 1 ASSI { 543} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HG )) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.11000E+01 volume 0.46396E-02 ppm1 -0.002 ppm2 1.401 CV 1 ASSI { 544} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HA )) 3.700 1.700 1.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.31661E-02 ppm1 0.002 ppm2 4.571 CV 1 ASSI { 545} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HB1 )) 3.200 1.300 1.300 peak 545 spectrum 1 weight 0.11000E+01 volume 0.22321E-02 ppm1 0.007 ppm2 1.989 CV 1 ASSI { 546} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HB2 )) 3.500 1.500 1.500 peak 546 spectrum 1 weight 0.11000E+01 volume 0.41478E-03 ppm1 0.010 ppm2 2.137 CV 1 ASSI { 547} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 159 and name HE21)) 3.100 1.200 1.200 peak 547 spectrum 1 weight 0.11000E+01 volume 0.17102E-02 ppm1 -0.002 ppm2 6.771 CV 1 ASSI { 548} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 161 and name HA )) 4.500 2.500 1.500 peak 548 spectrum 1 weight 0.11000E+01 volume 0.10220E-02 ppm1 0.000 ppm2 5.587 CV 1 ASSI { 549} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 161 and name HD% ) 4.200 4.200 1.800 peak 549 spectrum 1 weight 0.11000E+01 volume 0.93792E-03 ppm1 -0.002 ppm2 6.931 CV 1 ASSI { 550} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 182 and name HG1 )) 3.800 3.800 2.200 peak 550 spectrum 1 weight 0.11000E+01 volume 0.16859E-02 ppm1 -0.001 ppm2 1.481 CV 1 ASSI { 551} (( segid " " and resid 129 and name HG )) (( segid " " and resid 127 and name HB1 )) 4.900 4.900 1.100 peak 551 spectrum 1 weight 0.11000E+01 volume 0.38380E-03 ppm1 1.416 ppm2 2.868 CV 1 ASSI { 555} (( segid " " and resid 129 and name HG )) (( segid " " and resid 131 and name HN )) 3.300 3.300 2.700 peak 555 spectrum 1 weight 0.11000E+01 volume 0.17611E-02 ppm1 1.392 ppm2 8.333 CV 1 ASSI { 556} (( segid " " and resid 129 and name HG )) (( segid " " and resid 160 and name HA )) 3.900 1.900 1.900 peak 556 spectrum 1 weight 0.11000E+01 volume 0.33813E-03 ppm1 1.400 ppm2 4.957 CV 1 ASSI { 557} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 128 and name HN )) 4.800 4.800 1.200 peak 557 spectrum 1 weight 0.11000E+01 volume 0.48609E-03 ppm1 4.434 ppm2 9.096 CV 1 ASSI { 558} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 129 and name HG )) 4.600 2.700 1.400 peak 558 spectrum 1 weight 0.11000E+01 volume 0.33705E-03 ppm1 4.423 ppm2 1.405 CV 1 ASSI { 559} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 130 and name HA2 )) 2.000 0.500 0.500 peak 559 spectrum 1 weight 0.11000E+01 volume 0.28274E-02 ppm1 4.434 ppm2 4.145 CV 1 ASSI { 560} (( segid " " and resid 130 and name HA1 )) (( segid " " and resid 131 and name HA )) 3.800 1.800 1.800 peak 560 spectrum 1 weight 0.11000E+01 volume 0.28606E-02 ppm1 4.437 ppm2 4.410 CV 1 ASSI { 561} (( segid " " and resid 130 and name HA1 )) ( segid " " and resid 162 and name HD% ) 3.700 1.700 1.700 peak 561 spectrum 1 weight 0.11000E+01 volume 0.35069E-03 ppm1 4.438 ppm2 7.199 CV 1 ASSI { 562} (( segid " " and resid 130 and name HA1 )) ( segid " " and resid 162 and name HE% ) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.11000E+01 volume 0.94525E-03 ppm1 4.425 ppm2 6.514 CV 1 ASSI { 564} (( segid " " and resid 130 and name HA2 )) (( segid " " and resid 131 and name HA )) 3.700 1.700 1.700 peak 564 spectrum 1 weight 0.11000E+01 volume 0.26341E-02 ppm1 4.146 ppm2 4.403 CV 1 ASSI { 565} (( segid " " and resid 130 and name HA2 )) ( segid " " and resid 162 and name HE% ) 3.200 1.300 1.300 peak 565 spectrum 1 weight 0.11000E+01 volume 0.10128E-02 ppm1 4.162 ppm2 6.512 CV 1 ASSI { 566} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.400 0.700 0.700 peak 566 spectrum 1 weight 0.11000E+01 volume 0.71804E-02 ppm1 4.408 ppm2 3.935 CV 1 ASSI { 567} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) 2.600 0.900 0.900 peak 567 spectrum 1 weight 0.11000E+01 volume 0.57775E-02 ppm1 4.412 ppm2 3.893 CV 1 ASSI { 568} (( segid " " and resid 131 and name HA )) ( segid " " and resid 132 and name HB% ) 4.500 2.500 1.500 peak 568 spectrum 1 weight 0.11000E+01 volume 0.61142E-03 ppm1 4.415 ppm2 1.258 CV 1 ASSI { 569} (( segid " " and resid 131 and name HA )) (( segid " " and resid 159 and name HA )) 3.400 3.400 2.600 peak 569 spectrum 1 weight 0.11000E+01 volume 0.22770E-02 ppm1 4.414 ppm2 4.584 CV 1 ASSI { 570} (( segid " " and resid 131 and name HA )) (( segid " " and resid 159 and name HB2 )) 4.500 2.500 1.500 peak 570 spectrum 1 weight 0.11000E+01 volume 0.41230E-03 ppm1 4.420 ppm2 2.150 CV 1 ASSI { 573} (( segid " " and resid 132 and name HA )) (( segid " " and resid 129 and name HB1 )) 4.900 3.000 1.100 peak 573 spectrum 1 weight 0.11000E+01 volume 0.66863E-03 ppm1 4.385 ppm2 1.673 CV 1 ASSI { 575} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HB2 )) 3.900 1.900 1.900 peak 575 spectrum 1 weight 0.11000E+01 volume 0.24526E-02 ppm1 4.390 ppm2 1.965 CV 1 ASSI { 576} (( segid " " and resid 132 and name HA )) (( segid " " and resid 158 and name HB1 )) 5.000 3.100 1.000 peak 576 spectrum 1 weight 0.11000E+01 volume 0.30604E-03 ppm1 4.390 ppm2 2.420 CV 1 ASSI { 577} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HA )) 4.200 2.200 1.800 peak 577 spectrum 1 weight 0.11000E+01 volume 0.64860E-03 ppm1 4.386 ppm2 4.584 CV 1 ASSI { 578} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.200 0.600 0.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.26454E-02 ppm1 4.392 ppm2 2.000 CV 1 ASSI { 579} (( segid " " and resid 132 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.700 1.700 1.700 peak 579 spectrum 1 weight 0.11000E+01 volume 0.27320E-02 ppm1 4.391 ppm2 2.154 CV 1 ASSI { 580} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 131 and name HB1 )) 4.400 2.400 1.600 peak 580 spectrum 1 weight 0.11000E+01 volume 0.75148E-03 ppm1 1.267 ppm2 3.942 CV 1 ASSI { 581} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 132 and name HA )) 2.100 0.600 0.600 peak 581 spectrum 1 weight 0.11000E+01 volume 0.11206E-01 ppm1 1.266 ppm2 4.392 CV 1 ASSI { 582} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 133 and name HA )) 4.000 2.000 2.000 peak 582 spectrum 1 weight 0.11000E+01 volume 0.77723E-03 ppm1 1.268 ppm2 4.732 CV 1 ASSI { 583} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 158 and name HB1 )) 4.700 4.700 1.300 peak 583 spectrum 1 weight 0.11000E+01 volume 0.50796E-03 ppm1 1.264 ppm2 2.467 CV 1 ASSI { 584} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 158 and name HB2 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.11000E+01 volume 0.49874E-03 ppm1 1.265 ppm2 3.650 CV 1 ASSI { 585} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HA )) 5.700 4.100 0.300 peak 585 spectrum 1 weight 0.11000E+01 volume 0.35210E-03 ppm1 1.252 ppm2 4.571 CV 1 ASSI { 586} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HB1 )) 3.400 1.500 1.500 peak 586 spectrum 1 weight 0.11000E+01 volume 0.26135E-02 ppm1 1.266 ppm2 2.011 CV 1 ASSI { 587} ( segid " " and resid 132 and name HB% ) (( segid " " and resid 159 and name HB2 )) 4.100 2.100 1.900 peak 587 spectrum 1 weight 0.11000E+01 volume 0.19892E-02 ppm1 1.263 ppm2 2.158 CV 1 ASSI { 588} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 2.700 0.900 0.900 peak 588 spectrum 1 weight 0.11000E+01 volume 0.30036E-02 ppm1 4.732 ppm2 2.066 CV 1 ASSI { 589} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.900 1.100 1.100 peak 589 spectrum 1 weight 0.11000E+01 volume 0.24363E-02 ppm1 4.748 ppm2 1.987 CV 1 ASSI { 590} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG1 )) 4.400 2.400 1.600 peak 590 spectrum 1 weight 0.11000E+01 volume 0.47786E-03 ppm1 4.750 ppm2 2.535 CV 1 ASSI { 591} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG2 )) 4.200 2.200 1.800 peak 591 spectrum 1 weight 0.11000E+01 volume 0.11763E-02 ppm1 4.761 ppm2 2.471 CV 1 ASSI { 592} (( segid " " and resid 133 and name HA )) (( segid " " and resid 159 and name HB1 )) 3.800 3.800 2.200 peak 592 spectrum 1 weight 0.11000E+01 volume 0.27776E-02 ppm1 4.739 ppm2 1.989 CV 1 ASSI { 595} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 133 and name HE% ) 3.400 1.400 1.400 peak 595 spectrum 1 weight 0.11000E+01 volume 0.38907E-02 ppm1 2.077 ppm2 1.895 CV 1 ASSI { 596} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HG1 )) 3.200 1.200 1.200 peak 596 spectrum 1 weight 0.11000E+01 volume 0.17421E-02 ppm1 2.081 ppm2 2.528 CV 1 ASSI { 597} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 158 and name HA )) 4.500 2.500 1.500 peak 597 spectrum 1 weight 0.11000E+01 volume 0.14228E-02 ppm1 2.086 ppm2 4.744 CV 1 ASSI { 598} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 212 and name HE% ) 2.700 2.700 3.300 peak 598 spectrum 1 weight 0.11000E+01 volume 0.57753E-02 ppm1 2.077 ppm2 2.176 CV 1 ASSI { 599} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 212 and name HG2 )) 3.500 1.600 1.600 peak 599 spectrum 1 weight 0.11000E+01 volume 0.13896E-02 ppm1 2.084 ppm2 2.492 CV 1 ASSI { 600} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 132 and name HB% ) 4.500 4.500 1.500 peak 600 spectrum 1 weight 0.11000E+01 volume 0.87932E-03 ppm1 1.951 ppm2 1.303 CV 1 ASSI { 602} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 133 and name HE% ) 3.100 1.200 1.200 peak 602 spectrum 1 weight 0.11000E+01 volume 0.44203E-02 ppm1 1.952 ppm2 1.895 CV 1 ASSI { 604} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 136 and name HG2 )) 2.900 2.900 3.100 peak 604 spectrum 1 weight 0.11000E+01 volume 0.87674E-02 ppm1 1.952 ppm2 2.046 CV 1 ASSI { 605} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 4.500 2.500 1.500 peak 605 spectrum 1 weight 0.11000E+01 volume 0.71132E-03 ppm1 1.957 ppm2 2.438 CV 1 ASSI { 606} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 212 and name HE% ) 3.800 1.800 1.800 peak 606 spectrum 1 weight 0.11000E+01 volume 0.28635E-02 ppm1 1.952 ppm2 2.176 CV 1 ASSI { 607} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 212 and name HG1 )) 4.800 4.800 1.200 peak 607 spectrum 1 weight 0.11000E+01 volume 0.22885E-03 ppm1 1.941 ppm2 2.779 CV 1 ASSI { 608} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 212 and name HG2 )) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.11000E+01 volume 0.11530E-02 ppm1 1.959 ppm2 2.492 CV 1 ASSI { 610} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HA )) 3.400 3.400 2.600 peak 610 spectrum 1 weight 0.11000E+01 volume 0.62465E-02 ppm1 1.894 ppm2 4.710 CV 1 ASSI { 611} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 133 and name HG2 )) 2.200 0.600 0.600 peak 611 spectrum 1 weight 0.11000E+01 volume 0.66774E-02 ppm1 1.894 ppm2 2.467 CV 1 ASSI { 612} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HA )) 2.900 1.000 1.000 peak 612 spectrum 1 weight 0.11000E+01 volume 0.30320E-02 ppm1 1.896 ppm2 4.391 CV 1 ASSI { 613} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 135 and name HD2 )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.11000E+01 volume 0.17090E-02 ppm1 1.895 ppm2 3.140 CV 1 ASSI { 614} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HD1 )) 2.600 0.800 0.800 peak 614 spectrum 1 weight 0.11000E+01 volume 0.16627E-02 ppm1 1.893 ppm2 3.888 CV 1 ASSI { 615} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 136 and name HD2 )) 2.800 1.000 1.000 peak 615 spectrum 1 weight 0.11000E+01 volume 0.88316E-02 ppm1 1.894 ppm2 3.650 CV 1 ASSI { 616} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HA )) 2.200 0.600 0.600 peak 616 spectrum 1 weight 0.11000E+01 volume 0.62465E-02 ppm1 1.894 ppm2 4.710 CV 1 ASSI { 617} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HB1 )) 2.600 0.800 0.800 peak 617 spectrum 1 weight 0.11000E+01 volume 0.66774E-02 ppm1 1.894 ppm2 2.467 CV 1 ASSI { 618} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 158 and name HB2 )) 2.500 0.800 0.800 peak 618 spectrum 1 weight 0.11000E+01 volume 0.88316E-02 ppm1 1.894 ppm2 3.650 CV 1 ASSI { 619} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HA )) 3.100 1.200 1.200 peak 619 spectrum 1 weight 0.11000E+01 volume 0.22311E-02 ppm1 1.896 ppm2 4.586 CV 1 ASSI { 620} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HG2 )) 3.400 1.400 1.400 peak 620 spectrum 1 weight 0.11000E+01 volume 0.30544E-02 ppm1 1.891 ppm2 2.348 CV 1 OR { 620} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 159 and name HG1 )) ASSI { 623} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 208 and name HB )) 2.700 0.900 0.900 peak 623 spectrum 1 weight 0.11000E+01 volume 0.98350E-02 ppm1 1.893 ppm2 2.111 CV 1 ASSI { 624} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 208 and name HG1%) 2.000 0.500 0.500 peak 624 spectrum 1 weight 0.11000E+01 volume 0.93130E-02 ppm1 1.893 ppm2 1.114 CV 1 ASSI { 625} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 209 and name HB )) 2.500 2.500 3.500 peak 625 spectrum 1 weight 0.11000E+01 volume 0.12345E-01 ppm1 1.895 ppm2 2.173 CV 1 ASSI { 626} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HA )) 3.800 1.800 1.800 peak 626 spectrum 1 weight 0.11000E+01 volume 0.19388E-02 ppm1 1.896 ppm2 4.118 CV 1 ASSI { 627} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HB1 )) 2.000 0.500 0.500 peak 627 spectrum 1 weight 0.11000E+01 volume 0.10696E-01 ppm1 1.893 ppm2 2.192 CV 1 ASSI { 628} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HB2 )) 2.800 1.000 1.000 peak 628 spectrum 1 weight 0.11000E+01 volume 0.30544E-02 ppm1 1.886 ppm2 2.335 CV 1 ASSI { 629} ( segid " " and resid 133 and name HE% ) ( segid " " and resid 212 and name HE% ) 2.100 0.500 0.500 peak 629 spectrum 1 weight 0.11000E+01 volume 0.10696E-01 ppm1 1.893 ppm2 2.192 CV 1 ASSI { 630} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 212 and name HG1 )) 2.400 0.700 0.700 peak 630 spectrum 1 weight 0.11000E+01 volume 0.35575E-02 ppm1 1.894 ppm2 2.738 CV 1 ASSI { 631} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 215 and name HB )) 4.400 2.400 1.600 peak 631 spectrum 1 weight 0.11000E+01 volume 0.10160E-02 ppm1 1.892 ppm2 4.306 CV 1 ASSI { 632} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 215 and name HG1 )) 3.800 1.800 1.800 peak 632 spectrum 1 weight 0.11000E+01 volume 0.38484E-02 ppm1 1.896 ppm2 1.238 CV 1 ASSI { 633} ( segid " " and resid 133 and name HE% ) (( segid " " and resid 216 and name HN )) 4.600 4.600 1.400 peak 633 spectrum 1 weight 0.11000E+01 volume 0.68663E-03 ppm1 1.894 ppm2 8.748 CV 1 ASSI { 635} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.11000E+01 volume 0.19866E-02 ppm1 2.534 ppm2 1.986 CV 1 ASSI { 636} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 135 and name HA )) 4.200 2.200 1.800 peak 636 spectrum 1 weight 0.11000E+01 volume 0.45448E-03 ppm1 2.508 ppm2 4.388 CV 1 ASSI { 637} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 158 and name HA )) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.11000E+01 volume 0.78565E-03 ppm1 2.536 ppm2 4.722 CV 1 ASSI { 638} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 159 and name HB1 )) 3.300 3.300 2.700 peak 638 spectrum 1 weight 0.11000E+01 volume 0.19866E-02 ppm1 2.534 ppm2 1.986 CV 1 ASSI { 639} (( segid " " and resid 133 and name HG1 )) ( segid " " and resid 212 and name HE% ) 3.400 1.500 1.500 peak 639 spectrum 1 weight 0.11000E+01 volume 0.17255E-02 ppm1 2.530 ppm2 2.176 CV 1 ASSI { 640} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 212 and name HG2 )) 2.800 1.000 1.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.14961E-01 ppm1 2.530 ppm2 2.492 CV 1 ASSI { 641} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 132 and name HA )) 4.500 2.600 1.500 peak 641 spectrum 1 weight 0.11000E+01 volume 0.58716E-03 ppm1 2.457 ppm2 4.386 CV 1 ASSI { 643} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HB2 )) 3.000 1.100 1.100 peak 643 spectrum 1 weight 0.11000E+01 volume 0.22246E-02 ppm1 2.449 ppm2 1.987 CV 1 ASSI { 645} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 158 and name HB1 )) 2.900 1.000 1.000 peak 645 spectrum 1 weight 0.11000E+01 volume 0.12022E-01 ppm1 2.454 ppm2 2.425 CV 1 ASSI { 646} (( segid " " and resid 133 and name HG2 )) ( segid " " and resid 212 and name HE% ) 2.700 0.900 0.900 peak 646 spectrum 1 weight 0.11000E+01 volume 0.17805E-02 ppm1 2.451 ppm2 2.176 CV 1 ASSI { 647} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 212 and name HG2 )) 2.200 2.200 3.800 peak 647 spectrum 1 weight 0.11000E+01 volume 0.14721E-01 ppm1 2.447 ppm2 2.492 CV 1 ASSI { 648} (( segid " " and resid 134 and name HA )) (( segid " " and resid 133 and name HA )) 5.000 3.100 1.000 peak 648 spectrum 1 weight 0.11000E+01 volume 0.31179E-03 ppm1 4.366 ppm2 4.730 CV 1 ASSI { 649} (( segid " " and resid 134 and name HA )) (( segid " " and resid 133 and name HB1 )) 6.000 6.000 0.000 peak 649 spectrum 1 weight 0.11000E+01 volume 0.32166E-04 ppm1 4.358 ppm2 2.061 CV 1 ASSI { 651} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.600 0.900 0.900 peak 651 spectrum 1 weight 0.11000E+01 volume 0.43447E-02 ppm1 4.350 ppm2 3.807 CV 1 ASSI { 652} (( segid " " and resid 134 and name HA )) (( segid " " and resid 158 and name HA )) 4.800 2.800 1.200 peak 652 spectrum 1 weight 0.11000E+01 volume 0.70373E-03 ppm1 4.357 ppm2 4.750 CV 1 ASSI { 653} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.000 peak 653 spectrum 1 weight 0.11000E+01 volume 0.43593E-02 ppm1 3.746 ppm2 4.352 CV 1 ASSI { 654} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 1.600 0.300 0.600 peak 654 spectrum 1 weight 0.11000E+01 volume 0.29433E-01 ppm1 3.744 ppm2 3.779 CV 1 ASSI { 655} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 2.800 1.000 1.000 peak 655 spectrum 1 weight 0.11000E+01 volume 0.20757E-02 ppm1 4.397 ppm2 1.859 CV 1 OR { 655} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB1 )) ASSI { 656} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HD1 )) 3.400 1.500 1.500 peak 656 spectrum 1 weight 0.11000E+01 volume 0.43788E-03 ppm1 4.382 ppm2 3.041 CV 1 ASSI { 657} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG1 )) 3.500 1.600 1.600 peak 657 spectrum 1 weight 0.11000E+01 volume 0.10884E-02 ppm1 4.394 ppm2 1.687 CV 1 ASSI { 658} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG2 )) 2.600 0.900 0.900 peak 658 spectrum 1 weight 0.11000E+01 volume 0.18281E-02 ppm1 4.394 ppm2 1.802 CV 1 ASSI { 659} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HB1 )) 5.300 3.500 0.700 peak 659 spectrum 1 weight 0.11000E+01 volume 0.43599E-03 ppm1 4.398 ppm2 2.219 CV 1 ASSI { 660} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 660 spectrum 1 weight 0.11000E+01 volume 0.13635E-02 ppm1 4.386 ppm2 3.882 CV 1 ASSI { 661} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HD2 )) 3.400 1.400 1.400 peak 661 spectrum 1 weight 0.11000E+01 volume 0.14708E-02 ppm1 4.390 ppm2 3.642 CV 1 ASSI { 662} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 134 and name HA )) 3.600 1.600 1.600 peak 662 spectrum 1 weight 0.11000E+01 volume 0.95579E-03 ppm1 1.855 ppm2 4.360 CV 1 OR { 662} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 134 and name HA )) ASSI { 666} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG1 )) 2.500 0.800 0.800 peak 666 spectrum 1 weight 0.11000E+01 volume 0.36069E-02 ppm1 1.862 ppm2 1.680 CV 1 OR { 666} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HG1 )) ASSI { 667} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HD1 )) 4.600 2.600 1.400 peak 667 spectrum 1 weight 0.11000E+01 volume 0.61005E-03 ppm1 1.875 ppm2 3.874 CV 1 OR { 667} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 136 and name HD1 )) ASSI { 668} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HD2 )) 4.200 2.200 1.800 peak 668 spectrum 1 weight 0.11000E+01 volume 0.66557E-03 ppm1 1.860 ppm2 3.650 CV 1 OR { 668} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 136 and name HD2 )) ASSI { 669} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 149 and name HH )) 4.900 3.000 1.100 peak 669 spectrum 1 weight 0.11000E+01 volume 0.13721E-03 ppm1 1.900 ppm2 6.945 CV 1 OR { 669} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 149 and name HH )) ASSI { 670} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB1 )) 3.100 1.200 1.200 peak 670 spectrum 1 weight 0.11000E+01 volume 0.25228E-02 ppm1 3.037 ppm2 1.859 CV 1 OR { 670} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HB2 )) ASSI { 671} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HG1 )) 3.200 1.300 1.300 peak 671 spectrum 1 weight 0.11000E+01 volume 0.12284E-02 ppm1 3.021 ppm2 1.680 CV 1 ASSI { 672} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HB1 )) 3.000 1.100 1.100 peak 672 spectrum 1 weight 0.11000E+01 volume 0.23888E-02 ppm1 3.145 ppm2 1.844 CV 1 OR { 672} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HB2 )) ASSI { 674} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HD2 )) 2.500 0.800 0.800 peak 674 spectrum 1 weight 0.11000E+01 volume 0.31396E-02 ppm1 1.703 ppm2 3.165 CV 1 ASSI { 676} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 137 and name HN )) 4.100 4.100 1.900 peak 676 spectrum 1 weight 0.11000E+01 volume 0.59632E-03 ppm1 1.705 ppm2 8.728 CV 1 ASSI { 679} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HD2 )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.11000E+01 volume 0.15355E-02 ppm1 1.786 ppm2 3.148 CV 1 ASSI { 680} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 137 and name HN )) 4.200 4.200 1.800 peak 680 spectrum 1 weight 0.11000E+01 volume 0.74110E-03 ppm1 1.812 ppm2 8.755 CV 1 ASSI { 681} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB1 )) 2.600 0.800 0.800 peak 681 spectrum 1 weight 0.11000E+01 volume 0.36223E-02 ppm1 4.386 ppm2 2.233 CV 1 ASSI { 682} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HD2 )) 3.900 1.900 1.900 peak 682 spectrum 1 weight 0.11000E+01 volume 0.59254E-03 ppm1 4.396 ppm2 3.650 CV 1 ASSI { 683} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG1 )) 3.200 1.300 1.300 peak 683 spectrum 1 weight 0.11000E+01 volume 0.28433E-02 ppm1 4.387 ppm2 1.764 CV 1 ASSI { 684} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG2 )) 4.000 2.000 2.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.16165E-02 ppm1 4.393 ppm2 2.038 CV 1 ASSI { 685} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HB1 )) 4.400 2.400 1.600 peak 685 spectrum 1 weight 0.11000E+01 volume 0.74558E-03 ppm1 4.384 ppm2 1.651 CV 1 ASSI { 687} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HG1 )) 2.300 0.700 0.700 peak 687 spectrum 1 weight 0.11000E+01 volume 0.45433E-02 ppm1 2.244 ppm2 1.774 CV 1 ASSI { 688} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 137 and name HD2%) 4.500 2.600 1.500 peak 688 spectrum 1 weight 0.11000E+01 volume 0.59853E-03 ppm1 2.241 ppm2 0.877 CV 1 ASSI { 690} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 208 and name HG2%) 4.700 2.700 1.300 peak 690 spectrum 1 weight 0.11000E+01 volume 0.16109E-02 ppm1 2.242 ppm2 1.024 CV 1 ASSI { 691} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 3.300 1.400 1.400 peak 691 spectrum 1 weight 0.11000E+01 volume 0.21462E-02 ppm1 1.886 ppm2 4.405 CV 1 ASSI { 692} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 138 and name HD1%) 3.700 1.700 1.700 peak 692 spectrum 1 weight 0.11000E+01 volume 0.54208E-03 ppm1 1.872 ppm2 0.408 CV 1 ASSI { 697} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 149 and name HH )) 4.500 2.500 1.500 peak 697 spectrum 1 weight 0.11000E+01 volume 0.42254E-03 ppm1 3.625 ppm2 6.906 CV 1 ASSI { 698} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 208 and name HA )) 3.900 3.900 2.100 peak 698 spectrum 1 weight 0.11000E+01 volume 0.11767E-02 ppm1 3.634 ppm2 3.460 CV 1 ASSI { 701} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 701 spectrum 1 weight 0.11000E+01 volume 0.27609E-02 ppm1 2.031 ppm2 3.839 CV 1 ASSI { 702} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD2 )) 2.500 0.800 0.800 peak 702 spectrum 1 weight 0.11000E+01 volume 0.22942E-02 ppm1 2.031 ppm2 3.629 CV 1 ASSI { 703} (( segid " " and resid 136 and name HG2 )) ( segid " " and resid 138 and name HD1%) 3.300 1.300 1.300 peak 703 spectrum 1 weight 0.11000E+01 volume 0.79697E-03 ppm1 2.044 ppm2 0.427 CV 1 ASSI { 705} (( segid " " and resid 136 and name HG2 )) ( segid " " and resid 208 and name HG1%) 3.300 1.400 1.400 peak 705 spectrum 1 weight 0.11000E+01 volume 0.84745E-03 ppm1 2.023 ppm2 1.111 CV 1 ASSI { 706} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 2.400 0.700 0.700 peak 706 spectrum 1 weight 0.11000E+01 volume 0.40458E-02 ppm1 4.562 ppm2 1.643 CV 1 ASSI { 707} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.900 1.100 1.100 peak 707 spectrum 1 weight 0.11000E+01 volume 0.25901E-02 ppm1 4.565 ppm2 1.528 CV 1 ASSI { 709} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HG11)) 5.000 3.100 1.000 peak 709 spectrum 1 weight 0.11000E+01 volume 0.56820E-03 ppm1 4.561 ppm2 0.690 CV 1 ASSI { 710} (( segid " " and resid 137 and name HA )) ( segid " " and resid 149 and name HD% ) 3.800 3.800 2.200 peak 710 spectrum 1 weight 0.11000E+01 volume 0.20464E-02 ppm1 4.565 ppm2 6.968 CV 1 ASSI { 711} (( segid " " and resid 137 and name HA )) (( segid " " and resid 149 and name HH )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.11000E+01 volume 0.20287E-02 ppm1 4.559 ppm2 6.946 CV 1 ASSI { 713} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 137 and name HD1%) 3.200 1.300 1.300 peak 713 spectrum 1 weight 0.11000E+01 volume 0.14279E-02 ppm1 1.658 ppm2 0.916 CV 1 ASSI { 714} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 135 and name HD2 )) 3.700 3.700 2.300 peak 714 spectrum 1 weight 0.11000E+01 volume 0.15991E-02 ppm1 1.583 ppm2 3.139 CV 1 ASSI { 716} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 137 and name HD1%) 4.100 4.100 1.900 peak 716 spectrum 1 weight 0.11000E+01 volume 0.15636E-02 ppm1 1.527 ppm2 0.914 CV 1 ASSI { 717} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HG )) 2.300 0.600 0.600 peak 717 spectrum 1 weight 0.11000E+01 volume 0.97831E-02 ppm1 1.528 ppm2 1.616 CV 1 ASSI { 718} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HA )) 3.000 1.200 1.200 peak 718 spectrum 1 weight 0.11000E+01 volume 0.13761E-02 ppm1 0.940 ppm2 4.548 CV 1 ASSI { 719} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HG )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.11000E+01 volume 0.60560E-02 ppm1 0.941 ppm2 1.610 CV 1 ASSI { 720} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 138 and name HB )) 3.400 3.400 2.600 peak 720 spectrum 1 weight 0.11000E+01 volume 0.63921E-02 ppm1 0.939 ppm2 1.218 CV 1 ASSI { 721} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HA )) 2.700 0.900 0.900 peak 721 spectrum 1 weight 0.11000E+01 volume 0.49407E-02 ppm1 0.870 ppm2 4.560 CV 1 ASSI { 722} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HG )) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.11000E+01 volume 0.73902E-02 ppm1 0.870 ppm2 1.594 CV 1 ASSI { 723} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 138 and name HG11)) 3.200 3.200 2.800 peak 723 spectrum 1 weight 0.11000E+01 volume 0.62036E-02 ppm1 0.870 ppm2 0.713 CV 1 ASSI { 724} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 149 and name HH )) 4.200 2.200 1.800 peak 724 spectrum 1 weight 0.11000E+01 volume 0.10185E-02 ppm1 0.871 ppm2 6.946 CV 1 ASSI { 726} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB )) 3.100 1.200 1.200 peak 726 spectrum 1 weight 0.11000E+01 volume 0.17460E-02 ppm1 3.942 ppm2 1.174 CV 1 ASSI { 728} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG11)) 3.800 1.800 1.800 peak 728 spectrum 1 weight 0.11000E+01 volume 0.12909E-02 ppm1 3.948 ppm2 0.708 CV 1 ASSI { 729} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG12)) 3.500 1.500 1.500 peak 729 spectrum 1 weight 0.11000E+01 volume 0.62779E-03 ppm1 3.943 ppm2 0.900 CV 1 ASSI { 731} (( segid " " and resid 138 and name HA )) (( segid " " and resid 140 and name HZ )) 5.100 3.200 0.900 peak 731 spectrum 1 weight 0.11000E+01 volume 0.46955E-03 ppm1 3.941 ppm2 7.275 CV 1 ASSI { 732} (( segid " " and resid 138 and name HB )) (( segid " " and resid 137 and name HA )) 5.100 3.200 0.900 peak 732 spectrum 1 weight 0.11000E+01 volume 0.38150E-03 ppm1 1.159 ppm2 4.571 CV 1 ASSI { 735} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG11)) 2.800 1.000 1.000 peak 735 spectrum 1 weight 0.11000E+01 volume 0.12041E-02 ppm1 1.172 ppm2 0.697 CV 1 ASSI { 736} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HG12)) 2.900 1.100 1.100 peak 736 spectrum 1 weight 0.11000E+01 volume 0.17111E-02 ppm1 1.172 ppm2 0.884 CV 1 ASSI { 738} (( segid " " and resid 138 and name HB )) (( segid " " and resid 139 and name HE2 )) 4.500 4.500 1.500 peak 738 spectrum 1 weight 0.11000E+01 volume 0.46936E-03 ppm1 1.177 ppm2 6.570 CV 1 ASSI { 740} (( segid " " and resid 138 and name HB )) (( segid " " and resid 208 and name HB )) 5.600 4.000 0.400 peak 740 spectrum 1 weight 0.11000E+01 volume 0.38445E-03 ppm1 1.174 ppm2 2.110 CV 1 ASSI { 741} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 135 and name HE )) 3.100 3.100 2.900 peak 741 spectrum 1 weight 0.11000E+01 volume 0.52991E-02 ppm1 0.406 ppm2 8.610 CV 1 ASSI { 742} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HB1 )) 3.900 1.900 1.900 peak 742 spectrum 1 weight 0.11000E+01 volume 0.19106E-02 ppm1 0.414 ppm2 2.230 CV 1 ASSI { 743} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 136 and name HG1 )) 3.800 1.800 1.800 peak 743 spectrum 1 weight 0.11000E+01 volume 0.24556E-02 ppm1 0.408 ppm2 1.780 CV 1 ASSI { 745} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HA )) 2.900 1.100 1.100 peak 745 spectrum 1 weight 0.11000E+01 volume 0.22454E-02 ppm1 0.408 ppm2 3.943 CV 1 ASSI { 746} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HB )) 3.200 1.300 1.300 peak 746 spectrum 1 weight 0.11000E+01 volume 0.37928E-02 ppm1 0.409 ppm2 1.178 CV 1 ASSI { 747} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG11)) 2.200 0.600 0.600 peak 747 spectrum 1 weight 0.11000E+01 volume 0.60792E-02 ppm1 0.408 ppm2 0.700 CV 1 ASSI { 748} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HG12)) 2.400 0.700 0.700 peak 748 spectrum 1 weight 0.11000E+01 volume 0.45216E-02 ppm1 0.412 ppm2 0.895 CV 1 ASSI { 749} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 138 and name HG2%) 2.500 0.800 0.800 peak 749 spectrum 1 weight 0.11000E+01 volume 0.54926E-02 ppm1 0.408 ppm2 0.044 CV 1 ASSI { 750} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 139 and name HE2 )) 3.700 1.700 1.700 peak 750 spectrum 1 weight 0.11000E+01 volume 0.12358E-02 ppm1 0.409 ppm2 6.580 CV 1 ASSI { 752} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HA )) 4.500 2.500 1.500 peak 752 spectrum 1 weight 0.11000E+01 volume 0.55614E-03 ppm1 0.409 ppm2 4.171 CV 1 ASSI { 753} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HB1 )) 3.900 3.900 2.100 peak 753 spectrum 1 weight 0.11000E+01 volume 0.19837E-02 ppm1 0.408 ppm2 1.918 CV 1 ASSI { 754} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 207 and name HD2 )) 4.300 2.300 1.700 peak 754 spectrum 1 weight 0.11000E+01 volume 0.86056E-03 ppm1 0.409 ppm2 3.197 CV 1 ASSI { 755} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 208 and name HA )) 2.800 1.000 1.000 peak 755 spectrum 1 weight 0.11000E+01 volume 0.31323E-02 ppm1 0.409 ppm2 3.530 CV 1 ASSI { 756} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 208 and name HG2%) 3.200 1.200 1.200 peak 756 spectrum 1 weight 0.11000E+01 volume 0.42955E-02 ppm1 0.407 ppm2 1.054 CV 1 ASSI { 757} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 211 and name HG2 )) 3.100 1.200 1.200 peak 757 spectrum 1 weight 0.11000E+01 volume 0.23046E-02 ppm1 0.406 ppm2 2.405 CV 1 ASSI { 758} (( segid " " and resid 138 and name HG11)) (( segid " " and resid 136 and name HG1 )) 4.900 3.000 1.100 peak 758 spectrum 1 weight 0.11000E+01 volume 0.61050E-03 ppm1 0.697 ppm2 1.784 CV 1 ASSI { 766} (( segid " " and resid 138 and name HG11)) ( segid " " and resid 208 and name HG1%) 3.200 1.300 1.300 peak 766 spectrum 1 weight 0.11000E+01 volume 0.76721E-03 ppm1 0.703 ppm2 1.109 CV 1 ASSI { 767} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 136 and name HG1 )) 5.300 3.600 0.700 peak 767 spectrum 1 weight 0.11000E+01 volume 0.26114E-03 ppm1 0.866 ppm2 1.737 CV 1 ASSI { 771} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 138 and name HG11)) 1.900 0.400 0.400 peak 771 spectrum 1 weight 0.11000E+01 volume 0.37649E-02 ppm1 0.893 ppm2 0.731 CV 1 ASSI { 773} (( segid " " and resid 138 and name HG12)) ( segid " " and resid 208 and name HG1%) 4.000 4.000 2.000 peak 773 spectrum 1 weight 0.11000E+01 volume 0.52078E-03 ppm1 0.864 ppm2 1.069 CV 1 ASSI { 774} (( segid " " and resid 138 and name HG12)) (( segid " " and resid 212 and name HB2 )) 4.800 2.900 1.200 peak 774 spectrum 1 weight 0.11000E+01 volume 0.37293E-03 ppm1 0.896 ppm2 2.312 CV 1 ASSI { 775} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 135 and name HG2 )) 3.900 3.900 2.100 peak 775 spectrum 1 weight 0.11000E+01 volume 0.18036E-02 ppm1 0.051 ppm2 1.787 CV 1 ASSI { 776} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HB1 )) 4.900 3.000 1.100 peak 776 spectrum 1 weight 0.11000E+01 volume 0.97102E-03 ppm1 0.048 ppm2 2.234 CV 1 ASSI { 777} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HG2 )) 4.300 2.300 1.700 peak 777 spectrum 1 weight 0.11000E+01 volume 0.13075E-02 ppm1 0.056 ppm2 2.065 CV 1 ASSI { 778} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HA )) 2.700 0.900 0.900 peak 778 spectrum 1 weight 0.11000E+01 volume 0.43272E-02 ppm1 0.046 ppm2 3.943 CV 1 ASSI { 779} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HB )) 2.300 0.700 0.700 peak 779 spectrum 1 weight 0.11000E+01 volume 0.67157E-02 ppm1 0.045 ppm2 1.169 CV 1 ASSI { 781} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG11)) 2.600 0.900 0.900 peak 781 spectrum 1 weight 0.11000E+01 volume 0.34881E-02 ppm1 0.046 ppm2 0.702 CV 1 ASSI { 782} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG12)) 3.300 1.300 1.300 peak 782 spectrum 1 weight 0.11000E+01 volume 0.32787E-02 ppm1 0.048 ppm2 0.879 CV 1 ASSI { 783} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HE2 )) 3.800 1.800 1.800 peak 783 spectrum 1 weight 0.11000E+01 volume 0.10042E-02 ppm1 0.047 ppm2 6.575 CV 1 ASSI { 784} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 140 and name HA )) 3.500 1.600 1.600 peak 784 spectrum 1 weight 0.11000E+01 volume 0.11293E-02 ppm1 0.049 ppm2 4.230 CV 1 ASSI { 785} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 140 and name HD% ) 3.200 1.300 1.300 peak 785 spectrum 1 weight 0.11000E+01 volume 0.15496E-02 ppm1 0.045 ppm2 7.387 CV 1 ASSI { 787} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 207 and name HB1 )) 4.600 2.600 1.400 peak 787 spectrum 1 weight 0.11000E+01 volume 0.79959E-03 ppm1 0.030 ppm2 1.941 CV 1 ASSI { 788} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 207 and name HD2 )) 4.300 2.300 1.700 peak 788 spectrum 1 weight 0.11000E+01 volume 0.69470E-03 ppm1 0.051 ppm2 3.200 CV 1 ASSI { 789} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 208 and name HA )) 4.400 2.500 1.600 peak 789 spectrum 1 weight 0.11000E+01 volume 0.57937E-03 ppm1 0.051 ppm2 3.541 CV 1 ASSI { 790} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 211 and name HG2 )) 3.900 1.900 1.900 peak 790 spectrum 1 weight 0.11000E+01 volume 0.10781E-02 ppm1 0.049 ppm2 2.396 CV 1 ASSI { 791} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.600 0.900 0.900 peak 791 spectrum 1 weight 0.11000E+01 volume 0.25215E-02 ppm1 4.934 ppm2 3.278 CV 1 ASSI { 792} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 3.100 1.200 1.200 peak 792 spectrum 1 weight 0.11000E+01 volume 0.21996E-02 ppm1 4.935 ppm2 2.970 CV 1 ASSI { 793} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HD2 )) 4.600 2.700 1.400 peak 793 spectrum 1 weight 0.11000E+01 volume 0.47034E-03 ppm1 4.928 ppm2 7.384 CV 1 ASSI { 795} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 2.000 0.500 0.500 peak 795 spectrum 1 weight 0.11000E+01 volume 0.62549E-02 ppm1 3.277 ppm2 2.981 CV 1 ASSI { 796} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 140 and name HA )) 6.000 6.000 0.000 peak 796 spectrum 1 weight 0.11000E+01 volume 0.41885E-03 ppm1 3.268 ppm2 4.202 CV 1 ASSI { 799} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 140 and name HA )) 5.000 3.100 1.000 peak 799 spectrum 1 weight 0.11000E+01 volume 0.41382E-03 ppm1 2.969 ppm2 4.200 CV 1 ASSI { 800} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 142 and name HN )) 4.800 2.800 1.200 peak 800 spectrum 1 weight 0.11000E+01 volume 0.44122E-03 ppm1 2.975 ppm2 7.232 CV 1 ASSI { 801} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.11000E+01 volume 0.23808E-02 ppm1 4.239 ppm2 3.356 CV 1 ASSI { 803} (( segid " " and resid 140 and name HA )) ( segid " " and resid 140 and name HD% ) 3.000 1.200 1.200 peak 803 spectrum 1 weight 0.11000E+01 volume 0.14426E-02 ppm1 4.241 ppm2 7.382 CV 1 ASSI { 806} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HB2 )) 2.300 0.700 0.700 peak 806 spectrum 1 weight 0.11000E+01 volume 0.24498E-02 ppm1 3.361 ppm2 2.860 CV 1 ASSI { 807} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 140 and name HD% ) 3.500 1.600 1.600 peak 807 spectrum 1 weight 0.11000E+01 volume 0.10165E-02 ppm1 3.361 ppm2 7.383 CV 1 ASSI { 808} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 142 and name HB1 )) 3.500 1.500 1.500 peak 808 spectrum 1 weight 0.11000E+01 volume 0.21786E-02 ppm1 3.363 ppm2 2.815 CV 1 ASSI { 809} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 142 and name HB2 )) 2.900 1.000 1.000 peak 809 spectrum 1 weight 0.11000E+01 volume 0.21786E-02 ppm1 3.363 ppm2 2.829 CV 1 ASSI { 810} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 145 and name HB1 )) 4.300 2.300 1.700 peak 810 spectrum 1 weight 0.11000E+01 volume 0.50644E-03 ppm1 3.352 ppm2 1.894 CV 1 ASSI { 811} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 3.700 1.700 1.700 peak 811 spectrum 1 weight 0.11000E+01 volume 0.49131E-03 ppm1 3.370 ppm2 1.387 CV 1 ASSI { 812} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 146 and name HB1 )) 5.200 3.300 0.800 peak 812 spectrum 1 weight 0.11000E+01 volume 0.88383E-03 ppm1 3.363 ppm2 2.946 CV 1 ASSI { 813} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HA )) 3.900 1.900 1.900 peak 813 spectrum 1 weight 0.11000E+01 volume 0.72666E-03 ppm1 2.840 ppm2 4.244 CV 1 ASSI { 816} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 142 and name HB1 )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.11000E+01 volume 0.32991E-02 ppm1 2.857 ppm2 2.815 CV 1 ASSI { 817} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 142 and name HB2 )) 2.600 0.800 0.800 peak 817 spectrum 1 weight 0.11000E+01 volume 0.32991E-02 ppm1 2.857 ppm2 2.829 CV 1 ASSI { 818} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 145 and name HB1 )) 4.400 2.400 1.600 peak 818 spectrum 1 weight 0.11000E+01 volume 0.57132E-03 ppm1 2.864 ppm2 1.888 CV 1 ASSI { 820} (( segid " " and resid 141 and name HA1 )) (( segid " " and resid 141 and name HA2 )) 2.100 0.600 0.600 peak 820 spectrum 1 weight 0.11000E+01 volume 0.67663E-02 ppm1 4.120 ppm2 3.746 CV 1 ASSI { 822} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HB1 )) 2.500 0.800 0.800 peak 822 spectrum 1 weight 0.11000E+01 volume 0.51047E-02 ppm1 4.870 ppm2 2.822 CV 1 ASSI { 823} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HB1 )) 4.200 2.200 1.800 peak 823 spectrum 1 weight 0.11000E+01 volume 0.15250E-02 ppm1 4.872 ppm2 2.923 CV 1 ASSI { 824} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HB2 )) 3.700 1.700 1.700 peak 824 spectrum 1 weight 0.11000E+01 volume 0.18167E-02 ppm1 4.868 ppm2 2.736 CV 1 ASSI { 826} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 143 and name HA )) 4.100 2.100 1.900 peak 826 spectrum 1 weight 0.11000E+01 volume 0.96374E-03 ppm1 2.842 ppm2 4.433 CV 1 ASSI { 829} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HA )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.11000E+01 volume 0.19950E-02 ppm1 2.840 ppm2 4.859 CV 1 ASSI { 830} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 147 and name HB1 )) 5.400 5.400 0.600 peak 830 spectrum 1 weight 0.11000E+01 volume 0.32130E-03 ppm1 2.846 ppm2 1.935 CV 1 ASSI { 834} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.800 1.000 1.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.40632E-02 ppm1 4.448 ppm2 2.763 CV 1 ASSI { 835} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HN )) 4.300 2.300 1.700 peak 835 spectrum 1 weight 0.11000E+01 volume 0.36542E-03 ppm1 4.421 ppm2 8.020 CV 1 ASSI { 836} (( segid " " and resid 143 and name HA )) (( segid " " and resid 147 and name HA )) 3.800 3.800 2.200 peak 836 spectrum 1 weight 0.11000E+01 volume 0.10105E-02 ppm1 4.418 ppm2 4.055 CV 1 ASSI { 837} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HA )) 3.500 1.600 1.600 peak 837 spectrum 1 weight 0.11000E+01 volume 0.10092E-02 ppm1 2.941 ppm2 4.420 CV 1 ASSI { 838} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 146 and name HB2 )) 3.800 3.800 2.200 peak 838 spectrum 1 weight 0.11000E+01 volume 0.18364E-02 ppm1 2.942 ppm2 2.730 CV 1 ASSI { 840} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HA )) 2.600 0.800 0.800 peak 840 spectrum 1 weight 0.11000E+01 volume 0.68628E-02 ppm1 2.720 ppm2 4.432 CV 1 ASSI { 841} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) 3.100 1.200 1.200 peak 841 spectrum 1 weight 0.11000E+01 volume 0.29275E-02 ppm1 4.224 ppm2 3.227 CV 1 ASSI { 842} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB2 )) 2.900 1.000 1.000 peak 842 spectrum 1 weight 0.11000E+01 volume 0.20484E-02 ppm1 4.222 ppm2 3.046 CV 1 ASSI { 843} (( segid " " and resid 144 and name HA )) ( segid " " and resid 144 and name HD% ) 3.000 1.100 1.100 peak 843 spectrum 1 weight 0.11000E+01 volume 0.16744E-02 ppm1 4.222 ppm2 7.084 CV 1 ASSI { 844} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB1 )) 3.000 1.100 1.100 peak 844 spectrum 1 weight 0.11000E+01 volume 0.10771E-02 ppm1 4.235 ppm2 1.923 CV 1 ASSI { 845} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HD1 )) 3.500 3.500 2.500 peak 845 spectrum 1 weight 0.11000E+01 volume 0.26196E-02 ppm1 4.219 ppm2 3.233 CV 1 ASSI { 846} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HD2 )) 3.200 1.300 1.300 peak 846 spectrum 1 weight 0.11000E+01 volume 0.22604E-02 ppm1 4.225 ppm2 3.170 CV 1 ASSI { 848} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HB2 )) 2.300 0.600 0.600 peak 848 spectrum 1 weight 0.11000E+01 volume 0.35820E-02 ppm1 3.228 ppm2 3.061 CV 1 ASSI { 851} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 144 and name HD% ) 3.600 1.600 1.600 peak 851 spectrum 1 weight 0.11000E+01 volume 0.86650E-03 ppm1 3.047 ppm2 7.083 CV 1 ASSI { 852} (( segid " " and resid 145 and name HA )) ( segid " " and resid 144 and name HD% ) 4.200 2.200 1.800 peak 852 spectrum 1 weight 0.11000E+01 volume 0.43155E-03 ppm1 3.537 ppm2 7.060 CV 1 ASSI { 853} (( segid " " and resid 145 and name HA )) ( segid " " and resid 144 and name HE% ) 4.400 4.400 1.600 peak 853 spectrum 1 weight 0.11000E+01 volume 0.57905E-03 ppm1 3.529 ppm2 6.702 CV 1 ASSI { 854} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) 2.600 0.900 0.900 peak 854 spectrum 1 weight 0.11000E+01 volume 0.24122E-02 ppm1 3.537 ppm2 1.886 CV 1 ASSI { 855} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 3.500 1.500 1.500 peak 855 spectrum 1 weight 0.11000E+01 volume 0.13753E-02 ppm1 3.540 ppm2 1.376 CV 1 ASSI { 856} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG1 )) 3.600 1.600 1.600 peak 856 spectrum 1 weight 0.11000E+01 volume 0.13198E-02 ppm1 3.542 ppm2 2.509 CV 1 ASSI { 857} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG2 )) 2.800 1.000 1.000 peak 857 spectrum 1 weight 0.11000E+01 volume 0.24213E-02 ppm1 3.541 ppm2 1.852 CV 1 ASSI { 858} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB1 )) 3.600 1.700 1.700 peak 858 spectrum 1 weight 0.11000E+01 volume 0.13070E-02 ppm1 3.535 ppm2 2.765 CV 1 ASSI { 859} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.900 1.100 1.100 peak 859 spectrum 1 weight 0.11000E+01 volume 0.13237E-02 ppm1 3.534 ppm2 2.574 CV 1 ASSI { 860} (( segid " " and resid 145 and name HA )) ( segid " " and resid 148 and name HD% ) 3.600 1.600 1.600 peak 860 spectrum 1 weight 0.11000E+01 volume 0.50639E-03 ppm1 3.528 ppm2 6.844 CV 1 ASSI { 861} (( segid " " and resid 145 and name HA )) ( segid " " and resid 200 and name HG2%) 3.600 1.600 1.600 peak 861 spectrum 1 weight 0.11000E+01 volume 0.83843E-03 ppm1 3.547 ppm2 0.631 CV 1 ASSI { 862} (( segid " " and resid 145 and name HA )) ( segid " " and resid 204 and name HD1%) 4.000 2.000 2.000 peak 862 spectrum 1 weight 0.11000E+01 volume 0.85554E-03 ppm1 3.527 ppm2 0.640 CV 1 ASSI { 863} (( segid " " and resid 145 and name HA )) (( segid " " and resid 204 and name HG11)) 5.000 3.200 1.000 peak 863 spectrum 1 weight 0.11000E+01 volume 0.39030E-03 ppm1 3.536 ppm2 1.573 CV 1 ASSI { 864} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HB1 )) 4.900 3.000 1.100 peak 864 spectrum 1 weight 0.11000E+01 volume 0.80502E-03 ppm1 1.887 ppm2 2.818 CV 1 ASSI { 865} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HB2 )) 4.700 2.700 1.300 peak 865 spectrum 1 weight 0.11000E+01 volume 0.90371E-03 ppm1 1.877 ppm2 2.816 CV 1 ASSI { 866} (( segid " " and resid 145 and name HB1 )) ( segid " " and resid 204 and name HD1%) 4.300 4.300 1.700 peak 866 spectrum 1 weight 0.11000E+01 volume 0.42027E-03 ppm1 1.903 ppm2 0.629 CV 1 ASSI { 867} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 140 and name HB2 )) 3.500 1.500 1.500 peak 867 spectrum 1 weight 0.11000E+01 volume 0.85646E-03 ppm1 1.384 ppm2 2.861 CV 1 ASSI { 869} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HB1 )) 2.300 0.700 0.700 peak 869 spectrum 1 weight 0.11000E+01 volume 0.23154E-02 ppm1 1.385 ppm2 1.890 CV 1 ASSI { 870} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG1 )) 3.100 1.200 1.200 peak 870 spectrum 1 weight 0.11000E+01 volume 0.96451E-03 ppm1 1.374 ppm2 2.488 CV 1 ASSI { 872} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 144 and name HD% ) 5.100 5.100 0.900 peak 872 spectrum 1 weight 0.11000E+01 volume 0.22345E-03 ppm1 2.500 ppm2 7.118 CV 1 ASSI { 874} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HG2 )) 2.200 0.600 0.600 peak 874 spectrum 1 weight 0.11000E+01 volume 0.37729E-02 ppm1 2.481 ppm2 1.862 CV 1 ASSI { 875} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 148 and name HB1 )) 6.000 4.400 0.000 peak 875 spectrum 1 weight 0.11000E+01 volume 0.21458E-03 ppm1 2.483 ppm2 2.766 CV 1 ASSI { 876} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 148 and name HB2 )) 4.300 2.400 1.700 peak 876 spectrum 1 weight 0.11000E+01 volume 0.11019E-02 ppm1 2.483 ppm2 2.587 CV 1 ASSI { 877} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 200 and name HG2%) 4.600 2.600 1.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.62968E-03 ppm1 2.484 ppm2 0.642 CV 1 ASSI { 878} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 204 and name HD1%) 4.700 2.700 1.300 peak 878 spectrum 1 weight 0.11000E+01 volume 0.67958E-03 ppm1 2.496 ppm2 0.632 CV 1 ASSI { 879} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 143 and name HB2 )) 5.500 5.500 0.500 peak 879 spectrum 1 weight 0.11000E+01 volume 0.45031E-03 ppm1 1.869 ppm2 2.811 CV 1 ASSI { 880} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 144 and name HD% ) 4.200 2.200 1.800 peak 880 spectrum 1 weight 0.11000E+01 volume 0.48706E-03 ppm1 1.848 ppm2 7.077 CV 1 ASSI { 882} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HB2 )) 3.700 1.700 1.700 peak 882 spectrum 1 weight 0.11000E+01 volume 0.96415E-03 ppm1 1.842 ppm2 1.385 CV 1 ASSI { 884} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 148 and name HB1 )) 4.900 4.900 1.100 peak 884 spectrum 1 weight 0.11000E+01 volume 0.46012E-03 ppm1 1.868 ppm2 2.806 CV 1 ASSI { 886} (( segid " " and resid 146 and name HA )) ( segid " " and resid 140 and name HD% ) 2.700 0.900 0.900 peak 886 spectrum 1 weight 0.11000E+01 volume 0.16768E-02 ppm1 4.668 ppm2 7.375 CV 1 ASSI { 888} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB1 )) 3.000 1.100 1.100 peak 888 spectrum 1 weight 0.11000E+01 volume 0.18007E-02 ppm1 4.687 ppm2 2.959 CV 1 ASSI { 890} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.800 1.000 1.000 peak 890 spectrum 1 weight 0.11000E+01 volume 0.20788E-02 ppm1 4.689 ppm2 3.242 CV 1 ASSI { 891} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HB2 )) 4.700 2.800 1.300 peak 891 spectrum 1 weight 0.11000E+01 volume 0.64615E-03 ppm1 4.685 ppm2 3.045 CV 1 ASSI { 892} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 143 and name HA )) 3.400 1.500 1.500 peak 892 spectrum 1 weight 0.11000E+01 volume 0.10092E-02 ppm1 2.941 ppm2 4.420 CV 1 ASSI { 893} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.400 1.400 1.400 peak 893 spectrum 1 weight 0.11000E+01 volume 0.57653E-03 ppm1 2.729 ppm2 4.687 CV 1 ASSI { 894} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 147 and name HD1 )) 4.700 4.700 1.300 peak 894 spectrum 1 weight 0.11000E+01 volume 0.72915E-03 ppm1 2.720 ppm2 3.219 CV 1 ASSI { 895} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.11000E+01 volume 0.78975E-02 ppm1 4.000 ppm2 1.919 CV 1 ASSI { 896} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HD1 )) 3.100 1.200 1.200 peak 896 spectrum 1 weight 0.11000E+01 volume 0.14404E-02 ppm1 4.000 ppm2 3.216 CV 1 ASSI { 897} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG1 )) 3.400 1.400 1.400 peak 897 spectrum 1 weight 0.11000E+01 volume 0.24482E-02 ppm1 4.003 ppm2 1.750 CV 1 ASSI { 898} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG2 )) 2.900 1.100 1.100 peak 898 spectrum 1 weight 0.11000E+01 volume 0.14632E-02 ppm1 3.996 ppm2 1.548 CV 1 ASSI { 899} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HA )) 4.000 2.000 2.000 peak 899 spectrum 1 weight 0.11000E+01 volume 0.60666E-03 ppm1 3.997 ppm2 3.850 CV 1 ASSI { 900} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.200 0.600 0.600 peak 900 spectrum 1 weight 0.11000E+01 volume 0.69852E-02 ppm1 4.001 ppm2 1.939 CV 1 ASSI { 901} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HD1 )) 3.700 1.700 1.700 peak 901 spectrum 1 weight 0.11000E+01 volume 0.14802E-02 ppm1 3.998 ppm2 3.250 CV 1 ASSI { 902} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HG2 )) 2.500 0.800 0.800 peak 902 spectrum 1 weight 0.11000E+01 volume 0.12121E-02 ppm1 4.005 ppm2 1.680 CV 1 ASSI { 903} (( segid " " and resid 147 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.200 3.200 2.800 peak 903 spectrum 1 weight 0.11000E+01 volume 0.46346E-02 ppm1 4.001 ppm2 1.974 CV 1 ASSI { 906} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HG1 )) 2.400 0.700 0.700 peak 906 spectrum 1 weight 0.11000E+01 volume 0.51551E-02 ppm1 1.921 ppm2 1.737 CV 1 ASSI { 907} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HG2 )) 2.800 1.000 1.000 peak 907 spectrum 1 weight 0.11000E+01 volume 0.46164E-02 ppm1 1.917 ppm2 1.536 CV 1 ASSI { 908} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 148 and name HB1 )) 4.500 4.500 1.500 peak 908 spectrum 1 weight 0.11000E+01 volume 0.78651E-03 ppm1 1.926 ppm2 2.811 CV 1 ASSI { 910} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 150 and name HG2 )) 4.400 2.400 1.600 peak 910 spectrum 1 weight 0.11000E+01 volume 0.72477E-03 ppm1 1.920 ppm2 1.653 CV 1 ASSI { 911} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 151 and name HG1 )) 3.300 1.400 1.400 peak 911 spectrum 1 weight 0.11000E+01 volume 0.43979E-02 ppm1 1.925 ppm2 2.197 CV 1 ASSI { 912} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 151 and name HG2 )) 3.700 3.700 2.300 peak 912 spectrum 1 weight 0.11000E+01 volume 0.10729E-02 ppm1 1.921 ppm2 2.413 CV 1 ASSI { 915} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HB1 )) 2.500 0.800 0.800 peak 915 spectrum 1 weight 0.11000E+01 volume 0.59732E-02 ppm1 3.234 ppm2 1.921 CV 1 ASSI { 916} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HG1 )) 2.600 0.900 0.900 peak 916 spectrum 1 weight 0.11000E+01 volume 0.52260E-02 ppm1 3.205 ppm2 1.728 CV 1 ASSI { 918} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HG1 )) 2.900 1.100 1.100 peak 918 spectrum 1 weight 0.11000E+01 volume 0.13428E-02 ppm1 3.173 ppm2 1.754 CV 1 ASSI { 919} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 148 and name HB1 )) 4.400 4.400 1.600 peak 919 spectrum 1 weight 0.11000E+01 volume 0.54490E-03 ppm1 3.190 ppm2 2.806 CV 1 ASSI { 923} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 151 and name HA )) 4.000 4.000 2.000 peak 923 spectrum 1 weight 0.11000E+01 volume 0.17310E-02 ppm1 1.719 ppm2 4.105 CV 1 ASSI { 925} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HD1 )) 2.500 0.800 0.800 peak 925 spectrum 1 weight 0.11000E+01 volume 0.35657E-02 ppm1 1.540 ppm2 3.211 CV 1 ASSI { 926} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HG1 )) 1.800 0.400 0.400 peak 926 spectrum 1 weight 0.11000E+01 volume 0.12646E-01 ppm1 1.537 ppm2 1.715 CV 1 ASSI { 927} (( segid " " and resid 148 and name HA )) (( segid " " and resid 147 and name HD1 )) 4.600 2.700 1.400 peak 927 spectrum 1 weight 0.11000E+01 volume 0.14622E-03 ppm1 3.817 ppm2 3.218 CV 1 ASSI { 928} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) 3.700 3.700 2.300 peak 928 spectrum 1 weight 0.11000E+01 volume 0.50132E-03 ppm1 3.841 ppm2 2.810 CV 1 ASSI { 929} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.11000E+01 volume 0.19226E-02 ppm1 3.850 ppm2 2.599 CV 1 ASSI { 930} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HD% ) 3.100 1.200 1.200 peak 930 spectrum 1 weight 0.11000E+01 volume 0.14115E-02 ppm1 3.852 ppm2 6.842 CV 1 ASSI { 931} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HB1 )) 4.800 2.800 1.200 peak 931 spectrum 1 weight 0.11000E+01 volume 0.38135E-03 ppm1 3.818 ppm2 1.958 CV 1 ASSI { 932} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HG1 )) 3.800 1.800 1.800 peak 932 spectrum 1 weight 0.11000E+01 volume 0.13986E-02 ppm1 3.870 ppm2 1.921 CV 1 ASSI { 933} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HB1 )) 4.200 2.200 1.800 peak 933 spectrum 1 weight 0.11000E+01 volume 0.10154E-02 ppm1 3.851 ppm2 1.972 CV 1 ASSI { 934} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.500 1.500 1.500 peak 934 spectrum 1 weight 0.11000E+01 volume 0.60211E-03 ppm1 3.856 ppm2 2.172 CV 1 ASSI { 935} (( segid " " and resid 148 and name HA )) ( segid " " and resid 204 and name HD1%) 3.900 1.900 1.900 peak 935 spectrum 1 weight 0.11000E+01 volume 0.63871E-03 ppm1 3.863 ppm2 0.611 CV 1 ASSI { 937} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 148 and name HD% ) 3.600 1.600 1.600 peak 937 spectrum 1 weight 0.11000E+01 volume 0.70388E-03 ppm1 2.742 ppm2 6.858 CV 1 ASSI { 938} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 148 and name HE% ) 4.600 4.600 1.400 peak 938 spectrum 1 weight 0.11000E+01 volume 0.67895E-03 ppm1 2.800 ppm2 6.879 CV 1 ASSI { 941} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB1 )) 2.800 2.800 3.200 peak 941 spectrum 1 weight 0.11000E+01 volume 0.90206E-03 ppm1 2.559 ppm2 2.748 CV 1 ASSI { 942} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 148 and name HD% ) 3.500 1.500 1.500 peak 942 spectrum 1 weight 0.11000E+01 volume 0.65917E-03 ppm1 2.589 ppm2 6.859 CV 1 ASSI { 943} (( segid " " and resid 148 and name HB2 )) ( segid " " and resid 204 and name HD1%) 4.800 2.900 1.200 peak 943 spectrum 1 weight 0.11000E+01 volume 0.19640E-03 ppm1 2.578 ppm2 0.632 CV 1 ASSI { 946} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.700 2.700 3.300 peak 946 spectrum 1 weight 0.11000E+01 volume 0.29275E-02 ppm1 4.224 ppm2 3.221 CV 1 ASSI { 948} (( segid " " and resid 149 and name HA )) (( segid " " and resid 204 and name HB )) 2.700 0.900 0.900 peak 948 spectrum 1 weight 0.11000E+01 volume 0.12917E-02 ppm1 4.218 ppm2 1.923 CV 1 ASSI { 949} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HA )) 2.700 0.900 0.900 peak 949 spectrum 1 weight 0.11000E+01 volume 0.80539E-03 ppm1 3.050 ppm2 4.216 CV 1 ASSI { 950} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HB1 )) 2.100 0.500 0.500 peak 950 spectrum 1 weight 0.11000E+01 volume 0.26370E-02 ppm1 3.050 ppm2 3.229 CV 1 ASSI { 951} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 204 and name HB )) 3.400 1.500 1.500 peak 951 spectrum 1 weight 0.11000E+01 volume 0.29301E-03 ppm1 3.044 ppm2 1.915 CV 1 ASSI { 954} (( segid " " and resid 150 and name HA )) (( segid " " and resid 147 and name HD1 )) 4.200 4.200 1.800 peak 954 spectrum 1 weight 0.11000E+01 volume 0.10876E-02 ppm1 3.681 ppm2 3.203 CV 1 ASSI { 956} (( segid " " and resid 150 and name HA )) ( segid " " and resid 149 and name HE% ) 2.900 2.900 3.100 peak 956 spectrum 1 weight 0.11000E+01 volume 0.24313E-02 ppm1 3.680 ppm2 7.009 CV 1 ASSI { 958} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.500 0.800 0.800 peak 958 spectrum 1 weight 0.11000E+01 volume 0.55195E-02 ppm1 3.681 ppm2 1.939 CV 1 ASSI { 959} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 959 spectrum 1 weight 0.11000E+01 volume 0.13034E-02 ppm1 3.683 ppm2 2.183 CV 1 ASSI { 960} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HD1 )) 4.600 2.700 1.400 peak 960 spectrum 1 weight 0.11000E+01 volume 0.11673E-02 ppm1 3.682 ppm2 3.237 CV 1 ASSI { 961} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG1 )) 2.700 0.900 0.900 peak 961 spectrum 1 weight 0.11000E+01 volume 0.61604E-02 ppm1 3.680 ppm2 1.910 CV 1 ASSI { 962} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG2 )) 3.000 1.200 1.200 peak 962 spectrum 1 weight 0.11000E+01 volume 0.48524E-02 ppm1 3.680 ppm2 1.664 CV 1 ASSI { 963} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HA )) 3.800 1.800 1.800 peak 963 spectrum 1 weight 0.11000E+01 volume 0.77859E-03 ppm1 3.668 ppm2 4.103 CV 1 ASSI { 964} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB1 )) 2.700 0.900 0.900 peak 964 spectrum 1 weight 0.11000E+01 volume 0.39738E-02 ppm1 3.681 ppm2 1.709 CV 1 ASSI { 965} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB2 )) 3.100 3.100 2.900 peak 965 spectrum 1 weight 0.11000E+01 volume 0.57460E-02 ppm1 3.678 ppm2 1.888 CV 1 ASSI { 966} (( segid " " and resid 150 and name HA )) ( segid " " and resid 153 and name HE% ) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.11000E+01 volume 0.36443E-02 ppm1 3.681 ppm2 1.831 CV 1 ASSI { 967} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HG2 )) 4.300 2.300 1.700 peak 967 spectrum 1 weight 0.11000E+01 volume 0.83140E-03 ppm1 3.681 ppm2 2.133 CV 1 ASSI { 971} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HG1 )) 2.300 0.700 0.700 peak 971 spectrum 1 weight 0.11000E+01 volume 0.56989E-02 ppm1 3.286 ppm2 1.931 CV 1 ASSI { 974} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HD1 )) 2.700 0.900 0.900 peak 974 spectrum 1 weight 0.11000E+01 volume 0.23289E-02 ppm1 1.674 ppm2 3.274 CV 1 ASSI { 975} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HG1 )) 1.700 0.400 0.500 peak 975 spectrum 1 weight 0.11000E+01 volume 0.83305E-02 ppm1 1.671 ppm2 1.918 CV 1 ASSI { 976} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 151 and name HB1 )) 2.700 2.700 3.300 peak 976 spectrum 1 weight 0.11000E+01 volume 0.53362E-02 ppm1 1.670 ppm2 1.974 CV 1 ASSI { 977} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB1 )) 2.300 0.700 0.700 peak 977 spectrum 1 weight 0.11000E+01 volume 0.78278E-02 ppm1 4.056 ppm2 1.977 CV 1 ASSI { 978} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.100 1.200 1.200 peak 978 spectrum 1 weight 0.11000E+01 volume 0.19735E-02 ppm1 4.055 ppm2 2.247 CV 1 ASSI { 979} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.300 1.300 1.300 peak 979 spectrum 1 weight 0.11000E+01 volume 0.25615E-02 ppm1 4.058 ppm2 2.197 CV 1 ASSI { 980} (( segid " " and resid 151 and name HA )) (( segid " " and resid 155 and name HD1 )) 3.900 1.900 1.900 peak 980 spectrum 1 weight 0.11000E+01 volume 0.74609E-03 ppm1 4.060 ppm2 3.090 CV 1 ASSI { 981} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 147 and name HD1 )) 3.400 1.400 1.400 peak 981 spectrum 1 weight 0.11000E+01 volume 0.98402E-03 ppm1 1.976 ppm2 3.233 CV 1 ASSI { 983} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HG2 )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.11000E+01 volume 0.77979E-03 ppm1 2.001 ppm2 2.407 CV 1 ASSI { 984} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 149 and name HN )) 4.400 2.400 1.600 peak 984 spectrum 1 weight 0.11000E+01 volume 0.34438E-03 ppm1 2.180 ppm2 8.833 CV 1 ASSI { 987} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HB1 )) 2.500 0.800 0.800 peak 987 spectrum 1 weight 0.11000E+01 volume 0.96660E-02 ppm1 2.196 ppm2 1.984 CV 1 ASSI { 988} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HG2 )) 1.700 0.400 0.500 peak 988 spectrum 1 weight 0.11000E+01 volume 0.12254E-01 ppm1 2.197 ppm2 2.424 CV 1 ASSI { 989} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 152 and name HB1 )) 2.100 2.100 3.900 peak 989 spectrum 1 weight 0.11000E+01 volume 0.26322E-01 ppm1 2.189 ppm2 2.330 CV 1 ASSI { 990} (( segid " " and resid 151 and name HG1 )) ( segid " " and resid 153 and name HE% ) 3.900 3.900 2.100 peak 990 spectrum 1 weight 0.11000E+01 volume 0.15973E-02 ppm1 2.192 ppm2 1.832 CV 1 ASSI { 991} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 147 and name HG1 )) 3.500 3.500 2.500 peak 991 spectrum 1 weight 0.11000E+01 volume 0.17981E-02 ppm1 2.422 ppm2 1.724 CV 1 ASSI { 993} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 154 and name HB2 )) 4.600 2.600 1.400 peak 993 spectrum 1 weight 0.11000E+01 volume 0.53197E-03 ppm1 2.408 ppm2 2.938 CV 1 ASSI { 994} (( segid " " and resid 152 and name HA )) ( segid " " and resid 149 and name HD% ) 4.300 4.300 1.700 peak 994 spectrum 1 weight 0.11000E+01 volume 0.11012E-02 ppm1 4.586 ppm2 6.952 CV 1 ASSI { 995} (( segid " " and resid 152 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.700 3.700 2.300 peak 995 spectrum 1 weight 0.11000E+01 volume 0.28346E-02 ppm1 4.572 ppm2 1.978 CV 1 ASSI { 996} (( segid " " and resid 152 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.500 3.500 2.500 peak 996 spectrum 1 weight 0.11000E+01 volume 0.12132E-02 ppm1 4.588 ppm2 2.201 CV 1 ASSI { 997} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB1 )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.11000E+01 volume 0.20647E-02 ppm1 4.593 ppm2 2.311 CV 1 ASSI { 998} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB2 )) 2.300 0.700 0.700 peak 998 spectrum 1 weight 0.11000E+01 volume 0.19649E-02 ppm1 4.594 ppm2 2.283 CV 1 ASSI { 999} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HB2 )) 4.100 2.100 1.900 peak 999 spectrum 1 weight 0.11000E+01 volume 0.90935E-03 ppm1 4.584 ppm2 1.886 CV 1 ASSI { 1000} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HB1 )) 4.900 3.000 1.100 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.44812E-03 ppm1 4.591 ppm2 1.805 CV 1 ASSI { 1001} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HB2 )) 4.800 2.900 1.200 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.54416E-03 ppm1 4.591 ppm2 1.931 CV 1 ASSI { 1002} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HD1 )) 3.500 1.600 1.600 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.98691E-03 ppm1 4.591 ppm2 3.059 CV 1 ASSI { 1004} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HB2 )) 2.100 0.500 0.500 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.18310E-02 ppm1 2.353 ppm2 2.282 CV 1 ASSI { 1007} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 155 and name HB2 )) 5.300 5.300 0.700 peak 1007 spectrum 1 weight 0.11000E+01 volume 0.38000E-03 ppm1 2.257 ppm2 1.964 CV 1 ASSI { 1008} (( segid " " and resid 152 and name HB2 )) ( segid " " and resid 204 and name HG2%) 5.200 5.200 0.800 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.34633E-03 ppm1 2.252 ppm2 0.753 CV 1 ASSI { 1009} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) 2.200 0.600 0.600 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.61604E-02 ppm1 3.680 ppm2 1.903 CV 1 ASSI { 1010} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HB1 )) 3.600 1.600 1.600 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.10876E-02 ppm1 3.679 ppm2 3.215 CV 1 ASSI { 1011} (( segid " " and resid 153 and name HA )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.90151E-03 ppm1 3.680 ppm2 3.065 CV 1 ASSI { 1014} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 135 and name HA )) 3.900 3.900 2.100 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.19384E-02 ppm1 1.715 ppm2 4.394 CV 1 ASSI { 1015} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 135 and name HD2 )) 4.100 2.100 1.900 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.97603E-03 ppm1 1.714 ppm2 3.131 CV 1 ASSI { 1016} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 149 and name HD% ) 3.600 3.600 2.400 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.60068E-03 ppm1 1.707 ppm2 6.955 CV 1 ASSI { 1017} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 151 and name HG2 )) 3.800 3.800 2.200 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.23031E-02 ppm1 1.724 ppm2 2.377 CV 1 ASSI { 1018} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HA )) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.67780E-03 ppm1 1.713 ppm2 3.670 CV 1 ASSI { 1019} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 155 and name HG1 )) 4.200 4.200 1.800 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.17360E-02 ppm1 1.711 ppm2 1.293 CV 1 ASSI { 1020} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 156 and name HN )) 4.900 3.000 1.100 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.32381E-03 ppm1 1.692 ppm2 7.341 CV 1 ASSI { 1021} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 135 and name HA )) 3.500 1.500 1.500 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.14930E-02 ppm1 1.894 ppm2 4.410 CV 1 ASSI { 1023} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 135 and name HA )) 4.100 4.100 1.900 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.14949E-02 ppm1 1.827 ppm2 4.360 CV 1 ASSI { 1024} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 137 and name HD2%) 1.700 1.700 4.300 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.72444E-02 ppm1 1.828 ppm2 0.878 CV 1 ASSI { 1025} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 150 and name HD2 )) 2.000 2.000 4.000 peak 1025 spectrum 1 weight 0.11000E+01 volume 0.26252E-02 ppm1 1.827 ppm2 3.219 CV 1 ASSI { 1026} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 150 and name HG2 )) 1.400 1.400 4.600 peak 1026 spectrum 1 weight 0.11000E+01 volume 0.20935E-01 ppm1 1.827 ppm2 1.665 CV 1 ASSI { 1028} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 152 and name HA )) 4.000 2.000 2.000 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.14883E-02 ppm1 1.829 ppm2 4.570 CV 1 ASSI { 1029} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 153 and name HA )) 3.400 1.400 1.400 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.88017E-02 ppm1 1.828 ppm2 3.676 CV 1 ASSI { 1030} ( segid " " and resid 153 and name HE% ) ( segid " " and resid 154 and name HE% ) 2.900 2.900 3.100 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.40232E-02 ppm1 1.828 ppm2 6.943 CV 1 ASSI { 1032} ( segid " " and resid 153 and name HE% ) (( segid " " and resid 156 and name HB2 )) 3.500 3.500 2.500 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.27311E-02 ppm1 1.829 ppm2 3.040 CV 1 ASSI { 1033} (( segid " " and resid 153 and name HG1 )) (( segid " " and resid 153 and name HG2 )) 2.100 0.600 0.600 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.61751E-02 ppm1 2.573 ppm2 2.134 CV 1 ASSI { 1035} (( segid " " and resid 154 and name HA )) ( segid " " and resid 153 and name HE% ) 4.300 2.300 1.700 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.59925E-03 ppm1 4.233 ppm2 1.840 CV 1 ASSI { 1036} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB1 )) 2.900 1.100 1.100 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.26663E-02 ppm1 4.238 ppm2 3.017 CV 1 ASSI { 1037} (( segid " " and resid 154 and name HA )) ( segid " " and resid 154 and name HD% ) 3.600 1.600 1.600 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.93288E-03 ppm1 4.234 ppm2 7.075 CV 1 ASSI { 1039} (( segid " " and resid 154 and name HB1 )) ( segid " " and resid 154 and name HD% ) 3.400 1.500 1.500 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.10557E-02 ppm1 3.046 ppm2 7.098 CV 1 ASSI { 1040} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HA )) 3.600 1.600 1.600 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.84967E-03 ppm1 2.963 ppm2 4.244 CV 1 ASSI { 1041} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 154 and name HD% ) 3.600 1.600 1.600 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.69833E-03 ppm1 2.957 ppm2 7.088 CV 1 ASSI { 1043} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HD1 )) 4.700 2.700 1.300 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.80235E-03 ppm1 4.028 ppm2 3.099 CV 1 ASSI { 1044} (( segid " " and resid 155 and name HA )) (( segid " " and resid 157 and name HA )) 3.900 3.900 2.100 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.54796E-03 ppm1 4.010 ppm2 4.404 CV 1 ASSI { 1045} (( segid " " and resid 155 and name HA )) (( segid " " and resid 190 and name HA )) 3.600 3.600 2.400 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.15296E-02 ppm1 4.024 ppm2 4.176 CV 1 ASSI { 1047} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HA )) 2.600 2.600 3.400 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.36412E-02 ppm1 1.832 ppm2 4.103 CV 1 ASSI { 1048} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HD2 )) 3.100 1.200 1.200 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.10683E-02 ppm1 1.819 ppm2 3.218 CV 1 ASSI { 1049} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HG2 )) 3.200 3.200 2.800 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.73408E-03 ppm1 1.827 ppm2 1.503 CV 1 ASSI { 1050} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 195 and name HG1 )) 5.300 3.500 0.700 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.20323E-03 ppm1 1.836 ppm2 2.075 CV 1 ASSI { 1051} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 151 and name HA )) 3.500 3.500 2.500 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.46454E-02 ppm1 1.927 ppm2 4.102 CV 1 ASSI { 1052} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HD2 )) 3.300 1.300 1.300 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.14254E-02 ppm1 1.932 ppm2 3.214 CV 1 ASSI { 1055} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 152 and name HB2 )) 4.500 2.600 1.500 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.53440E-03 ppm1 3.056 ppm2 2.267 CV 1 ASSI { 1056} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 155 and name HG1 )) 3.200 1.300 1.300 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.12323E-02 ppm1 3.075 ppm2 1.273 CV 1 ASSI { 1058} (( segid " " and resid 155 and name HD1 )) ( segid " " and resid 204 and name HD1%) 4.000 2.000 2.000 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.98448E-03 ppm1 3.082 ppm2 0.682 CV 1 ASSI { 1059} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 151 and name HG2 )) 5.400 3.700 0.600 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.24805E-03 ppm1 3.217 ppm2 2.402 CV 1 ASSI { 1060} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HE )) 3.700 1.700 1.700 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.41567E-03 ppm1 3.198 ppm2 6.909 CV 1 ASSI { 1061} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HG1 )) 2.800 1.000 1.000 peak 1061 spectrum 1 weight 0.11000E+01 volume 0.16384E-02 ppm1 3.202 ppm2 1.273 CV 1 ASSI { 1062} (( segid " " and resid 155 and name HD2 )) ( segid " " and resid 204 and name HD1%) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.10584E-02 ppm1 3.202 ppm2 0.678 CV 1 ASSI { 1064} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 151 and name HG2 )) 5.100 3.200 0.900 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.62018E-03 ppm1 1.289 ppm2 2.384 CV 1 ASSI { 1066} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HG2 )) 2.000 0.500 0.500 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.30353E-02 ppm1 1.306 ppm2 1.559 CV 1 ASSI { 1067} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 156 and name HA )) 4.300 2.300 1.700 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.46602E-03 ppm1 1.283 ppm2 4.992 CV 1 ASSI { 1068} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 157 and name HA )) 4.500 4.500 1.500 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.50999E-03 ppm1 1.313 ppm2 4.375 CV 1 ASSI { 1069} (( segid " " and resid 155 and name HG1 )) ( segid " " and resid 190 and name HG2%) 3.800 1.800 1.800 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.96343E-03 ppm1 1.312 ppm2 0.907 CV 1 ASSI { 1070} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 201 and name HB1 )) 3.500 3.500 2.500 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.66993E-03 ppm1 1.304 ppm2 3.399 CV 1 ASSI { 1071} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 151 and name HG2 )) 4.700 2.700 1.300 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.57733E-03 ppm1 1.579 ppm2 2.384 CV 1 ASSI { 1072} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HD1 )) 2.700 2.700 3.300 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.15991E-02 ppm1 1.583 ppm2 3.139 CV 1 ASSI { 1074} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 156 and name HA )) 4.800 2.900 1.200 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.43226E-03 ppm1 1.558 ppm2 4.996 CV 1 ASSI { 1075} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 157 and name HA )) 4.500 4.500 1.500 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.37640E-03 ppm1 1.572 ppm2 4.404 CV 1 ASSI { 1076} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 195 and name HG2 )) 5.100 3.300 0.900 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.20825E-03 ppm1 1.567 ppm2 1.958 CV 1 ASSI { 1080} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) 3.100 1.200 1.200 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.18918E-02 ppm1 5.000 ppm2 3.040 CV 1 ASSI { 1081} (( segid " " and resid 156 and name HA )) ( segid " " and resid 156 and name HD% ) 3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.13368E-02 ppm1 4.993 ppm2 7.029 CV 1 ASSI { 1083} (( segid " " and resid 156 and name HA )) (( segid " " and resid 205 and name HA )) 5.800 4.200 0.200 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.28429E-03 ppm1 4.999 ppm2 3.427 CV 1 ASSI { 1084} (( segid " " and resid 156 and name HA )) (( segid " " and resid 205 and name HG2 )) 5.700 4.000 0.300 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.34062E-03 ppm1 4.999 ppm2 1.991 CV 1 ASSI { 1085} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HA )) 3.900 1.900 1.900 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.22964E-03 ppm1 3.207 ppm2 4.996 CV 1 ASSI { 1087} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 205 and name HG1 )) 3.500 1.500 1.500 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.29322E-03 ppm1 3.220 ppm2 2.062 CV 1 ASSI { 1088} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 155 and name HB2 )) 4.900 3.000 1.100 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.34301E-03 ppm1 3.022 ppm2 1.959 CV 1 ASSI { 1091} (( segid " " and resid 156 and name HB2 )) ( segid " " and resid 208 and name HG2%) 4.800 2.900 1.200 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.23211E-03 ppm1 3.025 ppm2 1.012 CV 1 ASSI { 1092} (( segid " " and resid 157 and name HA )) (( segid " " and resid 153 and name HB1 )) 3.400 3.400 2.600 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.21686E-02 ppm1 4.384 ppm2 1.711 CV 1 ASSI { 1095} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB1 )) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.23026E-02 ppm1 4.410 ppm2 2.313 CV 1 ASSI { 1096} (( segid " " and resid 157 and name HA )) (( segid " " and resid 159 and name HG2 )) 3.700 1.700 1.700 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.34360E-02 ppm1 4.388 ppm2 2.381 CV 1 OR { 1096} (( segid " " and resid 157 and name HA )) (( segid " " and resid 159 and name HG1 )) ASSI { 1097} (( segid " " and resid 157 and name HA )) (( segid " " and resid 186 and name HE1 )) 4.200 2.200 1.800 peak 1097 spectrum 1 weight 0.11000E+01 volume 0.65201E-03 ppm1 4.396 ppm2 7.847 CV 1 ASSI { 1098} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HD2 )) 4.100 2.100 1.900 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.89114E-03 ppm1 2.298 ppm2 3.832 CV 1 ASSI { 1099} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG1 )) 2.900 1.100 1.100 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.11387E-02 ppm1 2.299 ppm2 1.734 CV 1 ASSI { 1101} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HA )) 3.000 1.100 1.100 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.22143E-02 ppm1 1.890 ppm2 4.414 CV 1 ASSI { 1102} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HD2 )) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.14103E-02 ppm1 1.893 ppm2 3.795 CV 1 ASSI { 1103} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 182 and name HG1 )) 3.400 3.400 2.600 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.26443E-02 ppm1 1.893 ppm2 1.491 CV 1 ASSI { 1105} (( segid " " and resid 157 and name HB2 )) ( segid " " and resid 209 and name HG2%) 4.700 2.700 1.300 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.40660E-03 ppm1 1.897 ppm2 1.231 CV 1 ASSI { 1106} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HA )) 3.300 1.300 1.300 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.17646E-02 ppm1 3.635 ppm2 4.411 CV 1 ASSI { 1107} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HB1 )) 3.400 1.400 1.400 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.68257E-03 ppm1 3.639 ppm2 2.286 CV 1 ASSI { 1109} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 157 and name HD2 )) 1.400 0.200 0.800 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.43805E-01 ppm1 3.632 ppm2 3.837 CV 1 ASSI { 1110} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 182 and name HA )) 4.100 4.100 1.900 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.79973E-03 ppm1 3.637 ppm2 4.107 CV 1 ASSI { 1111} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 182 and name HG1 )) 4.400 2.400 1.600 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.86329E-03 ppm1 3.631 ppm2 1.471 CV 1 ASSI { 1112} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 205 and name HA )) 4.400 2.400 1.600 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.11767E-02 ppm1 3.634 ppm2 3.460 CV 1 ASSI { 1113} (( segid " " and resid 157 and name HD1 )) (( segid " " and resid 205 and name HB1 )) 3.500 1.600 1.600 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.60536E-02 ppm1 3.636 ppm2 1.976 CV 1 ASSI { 1114} (( segid " " and resid 157 and name HD1 )) ( segid " " and resid 205 and name HE% ) 4.500 2.600 1.500 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.81769E-03 ppm1 3.632 ppm2 1.489 CV 1 ASSI { 1115} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 157 and name HA )) 3.900 1.900 1.900 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.69986E-03 ppm1 3.805 ppm2 4.423 CV 1 ASSI { 1118} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 157 and name HG1 )) 3.600 1.600 1.600 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.88364E-03 ppm1 3.826 ppm2 1.761 CV 1 ASSI { 1119} (( segid " " and resid 157 and name HD2 )) (( segid " " and resid 182 and name HA )) 4.100 2.100 1.900 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.10361E-02 ppm1 3.830 ppm2 4.095 CV 1 ASSI { 1121} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 158 and name HB1 )) 3.600 3.600 2.400 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.19428E-02 ppm1 2.044 ppm2 2.407 CV 1 ASSI { 1122} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 159 and name HA )) 5.000 3.200 1.000 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.20102E-03 ppm1 2.044 ppm2 4.571 CV 1 ASSI { 1123} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 160 and name HG1%) 4.100 2.100 1.900 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.62081E-03 ppm1 2.053 ppm2 0.931 CV 1 ASSI { 1124} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 183 and name HG1%) 4.200 2.300 1.800 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.90737E-03 ppm1 2.041 ppm2 1.025 CV 1 ASSI { 1125} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 138 and name HG11)) 3.900 1.900 1.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.57087E-03 ppm1 2.042 ppm2 0.681 CV 1 ASSI { 1126} (( segid " " and resid 157 and name HG2 )) ( segid " " and resid 208 and name HG1%) 3.800 3.800 2.200 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.95542E-03 ppm1 2.061 ppm2 1.121 CV 1 ASSI { 1129} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB1 )) 2.600 0.800 0.800 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.25220E-02 ppm1 4.714 ppm2 2.435 CV 1 ASSI { 1130} (( segid " " and resid 158 and name HA )) (( segid " " and resid 158 and name HB2 )) 3.100 1.200 1.200 peak 1130 spectrum 1 weight 0.11000E+01 volume 0.20165E-02 ppm1 4.723 ppm2 3.654 CV 1 ASSI { 1131} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HG2 )) 3.800 1.800 1.800 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.15041E-02 ppm1 4.713 ppm2 2.380 CV 1 OR { 1131} (( segid " " and resid 158 and name HA )) (( segid " " and resid 159 and name HG1 )) ASSI { 1132} (( segid " " and resid 158 and name HA )) ( segid " " and resid 209 and name HG1%) 4.600 2.600 1.400 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.31533E-03 ppm1 4.706 ppm2 0.984 CV 1 ASSI { 1136} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 208 and name HB )) 4.400 4.400 1.600 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.47044E-03 ppm1 2.429 ppm2 2.097 CV 1 ASSI { 1139} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 2.300 0.600 0.600 peak 1139 spectrum 1 weight 0.11000E+01 volume 0.25769E-02 ppm1 3.641 ppm2 2.425 CV 1 ASSI { 1144} (( segid " " and resid 159 and name HA )) (( segid " " and resid 157 and name HG1 )) 4.200 2.200 1.800 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.12385E-02 ppm1 4.570 ppm2 1.756 CV 1 ASSI { 1145} (( segid " " and resid 159 and name HA )) (( segid " " and resid 158 and name HA )) 2.900 2.900 3.100 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.33351E-02 ppm1 4.598 ppm2 4.706 CV 1 ASSI { 1146} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB1 )) 2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.27700E-02 ppm1 4.580 ppm2 1.983 CV 1 ASSI { 1147} (( segid " " and resid 159 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.000 1.100 1.100 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.17492E-02 ppm1 4.571 ppm2 2.168 CV 1 ASSI { 1148} (( segid " " and resid 159 and name HA )) (( segid " " and resid 160 and name HA )) 3.900 1.900 1.900 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.49507E-03 ppm1 4.602 ppm2 4.940 CV 1 ASSI { 1151} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 207 and name HG2 )) 3.800 1.800 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.77310E-03 ppm1 1.994 ppm2 1.814 CV 1 ASSI { 1156} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 129 and name HB1 )) 3.900 1.900 1.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.17437E-02 ppm1 2.147 ppm2 1.674 CV 1 ASSI { 1157} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 129 and name HG )) 3.600 1.700 1.700 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.36436E-03 ppm1 2.148 ppm2 1.420 CV 1 ASSI { 1160} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 133 and name HG2 )) 4.200 2.200 1.800 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.15569E-02 ppm1 2.149 ppm2 2.445 CV 1 ASSI { 1163} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HG1 )) 2.600 2.600 3.400 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.27943E-02 ppm1 2.151 ppm2 2.383 CV 1 OR { 1163} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HG2 )) ASSI { 1164} (( segid " " and resid 160 and name HA )) ( segid " " and resid 133 and name HE% ) 4.300 2.300 1.700 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.44667E-03 ppm1 4.941 ppm2 1.905 CV 1 ASSI { 1166} (( segid " " and resid 160 and name HA )) (( segid " " and resid 159 and name HB2 )) 3.600 1.600 1.600 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.46368E-03 ppm1 4.937 ppm2 2.163 CV 1 ASSI { 1167} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB )) 2.700 0.900 0.900 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.19512E-02 ppm1 4.934 ppm2 2.606 CV 1 ASSI { 1168} (( segid " " and resid 160 and name HA )) ( segid " " and resid 160 and name HG1%) 2.600 0.800 0.800 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.21078E-02 ppm1 4.934 ppm2 0.944 CV 1 ASSI { 1170} (( segid " " and resid 160 and name HA )) (( segid " " and resid 161 and name HA )) 4.300 2.300 1.700 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.37082E-03 ppm1 4.946 ppm2 5.561 CV 1 ASSI { 1172} (( segid " " and resid 160 and name HA )) ( segid " " and resid 209 and name HG2%) 4.300 2.300 1.700 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.46175E-03 ppm1 4.959 ppm2 1.235 CV 1 ASSI { 1173} (( segid " " and resid 160 and name HA )) (( segid " " and resid 182 and name HA )) 6.000 4.700 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.13063E-03 ppm1 4.937 ppm2 4.120 CV 1 ASSI { 1174} (( segid " " and resid 160 and name HB )) (( segid " " and resid 159 and name HB2 )) 4.200 2.200 1.800 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.95046E-03 ppm1 2.601 ppm2 2.161 CV 1 ASSI { 1179} (( segid " " and resid 160 and name HB )) (( segid " " and resid 179 and name HB )) 4.100 2.200 1.900 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.79252E-03 ppm1 2.601 ppm2 2.124 CV 1 ASSI { 1180} (( segid " " and resid 160 and name HB )) (( segid " " and resid 181 and name HG11)) 4.100 2.100 1.900 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.83385E-03 ppm1 2.611 ppm2 0.856 CV 1 ASSI { 1183} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 133 and name HE% ) 3.100 1.200 1.200 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.26866E-02 ppm1 0.939 ppm2 1.898 CV 1 ASSI { 1184} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 133 and name HG1 )) 3.800 1.800 1.800 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.14999E-02 ppm1 0.933 ppm2 2.538 CV 1 ASSI { 1185} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 159 and name HA )) 3.600 1.600 1.600 peak 1185 spectrum 1 weight 0.11000E+01 volume 0.95384E-03 ppm1 0.940 ppm2 4.555 CV 1 ASSI { 1187} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 160 and name HB )) 2.500 0.800 0.800 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.32448E-02 ppm1 0.939 ppm2 2.607 CV 1 ASSI { 1189} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 181 and name HG11)) 3.000 3.000 3.000 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.67745E-02 ppm1 0.938 ppm2 0.836 CV 1 ASSI { 1190} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 181 and name HG12)) 2.500 2.500 3.500 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.17651E-01 ppm1 0.938 ppm2 1.015 CV 1 ASSI { 1191} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 182 and name HB )) 3.200 1.200 1.200 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.71728E-03 ppm1 0.935 ppm2 4.503 CV 1 ASSI { 1193} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 183 and name HA )) 4.400 2.400 1.600 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.12274E-02 ppm1 0.938 ppm2 3.602 CV 1 ASSI { 1194} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 183 and name HB )) 4.400 4.400 1.600 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.15400E-02 ppm1 0.938 ppm2 2.281 CV 1 ASSI { 1195} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 183 and name HG1%) 3.300 1.400 1.400 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.55306E-02 ppm1 0.938 ppm2 1.051 CV 1 ASSI { 1196} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 209 and name HA )) 3.100 1.200 1.200 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.14066E-02 ppm1 0.937 ppm2 3.659 CV 1 ASSI { 1197} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 209 and name HB )) 3.100 1.200 1.200 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.37538E-02 ppm1 0.939 ppm2 2.171 CV 1 ASSI { 1198} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.700 0.900 0.900 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.25992E-02 ppm1 0.937 ppm2 1.217 CV 1 ASSI { 1199} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 212 and name HA )) 4.500 4.500 1.500 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.51205E-03 ppm1 0.948 ppm2 4.118 CV 1 ASSI { 1200} ( segid " " and resid 160 and name HG1%) ( segid " " and resid 212 and name HE% ) 2.900 1.000 1.000 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.36738E-02 ppm1 0.940 ppm2 2.165 CV 1 ASSI { 1201} ( segid " " and resid 160 and name HG1%) (( segid " " and resid 213 and name HA )) 4.500 2.600 1.500 peak 1201 spectrum 1 weight 0.11000E+01 volume 0.69949E-03 ppm1 0.945 ppm2 4.377 CV 1 ASSI { 1203} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 130 and name HA2 )) 4.600 2.700 1.400 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.72870E-03 ppm1 0.760 ppm2 4.145 CV 1 ASSI { 1204} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 159 and name HA )) 3.800 1.800 1.800 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.88919E-03 ppm1 0.763 ppm2 4.557 CV 1 ASSI { 1205} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HA )) 3.300 1.300 1.300 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.14743E-02 ppm1 0.760 ppm2 4.925 CV 1 ASSI { 1206} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HB )) 2.300 0.700 0.700 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.49162E-02 ppm1 0.760 ppm2 2.611 CV 1 ASSI { 1207} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 160 and name HG1%) 2.200 0.600 0.600 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.80565E-02 ppm1 0.761 ppm2 0.932 CV 1 ASSI { 1208} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 161 and name HD% ) 4.700 2.700 1.300 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.84257E-03 ppm1 0.773 ppm2 6.889 CV 1 ASSI { 1210} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 162 and name HA )) 4.300 2.400 1.700 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.99869E-03 ppm1 0.755 ppm2 4.879 CV 1 ASSI { 1211} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 162 and name HD% ) 3.000 1.100 1.100 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.17918E-02 ppm1 0.759 ppm2 7.209 CV 1 ASSI { 1212} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 178 and name HB1 )) 3.900 1.900 1.900 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.98076E-03 ppm1 0.759 ppm2 2.863 CV 1 ASSI { 1213} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 138 and name HD1%) 4.400 2.400 1.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.11201E-02 ppm1 0.763 ppm2 0.391 CV 1 ASSI { 1214} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 182 and name HG1 )) 4.300 2.300 1.700 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.13359E-02 ppm1 0.765 ppm2 1.509 CV 1 ASSI { 1215} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 209 and name HA )) 3.700 1.700 1.700 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.97675E-03 ppm1 0.760 ppm2 3.663 CV 1 ASSI { 1216} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 209 and name HG2%) 4.300 2.300 1.700 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.88006E-03 ppm1 0.755 ppm2 1.207 CV 1 ASSI { 1218} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 212 and name HG1 )) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.10750E-02 ppm1 0.757 ppm2 2.757 CV 1 ASSI { 1219} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 213 and name HA )) 2.800 1.000 1.000 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.18649E-02 ppm1 0.759 ppm2 4.383 CV 1 ASSI { 1220} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 216 and name HB1 )) 3.900 1.900 1.900 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.10895E-02 ppm1 0.755 ppm2 2.319 CV 1 ASSI { 1224} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB1 )) 2.700 0.900 0.900 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.20564E-02 ppm1 5.591 ppm2 2.605 CV 1 ASSI { 1225} (( segid " " and resid 161 and name HA )) ( segid " " and resid 161 and name HD% ) 3.200 1.300 1.300 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.10500E-02 ppm1 5.591 ppm2 6.904 CV 1 ASSI { 1226} (( segid " " and resid 161 and name HA )) (( segid " " and resid 162 and name HB1 )) 4.700 2.800 1.300 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.21625E-03 ppm1 5.587 ppm2 2.905 CV 1 ASSI { 1227} (( segid " " and resid 161 and name HA )) (( segid " " and resid 162 and name HB2 )) 5.300 5.300 0.700 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.34438E-03 ppm1 5.632 ppm2 2.680 CV 1 ASSI { 1228} (( segid " " and resid 161 and name HA )) ( segid " " and resid 162 and name HD% ) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.59758E-03 ppm1 5.586 ppm2 7.208 CV 1 ASSI { 1229} (( segid " " and resid 161 and name HA )) (( segid " " and resid 178 and name HA )) 4.200 2.200 1.800 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.55384E-03 ppm1 5.559 ppm2 4.690 CV 1 ASSI { 1230} (( segid " " and resid 161 and name HA )) ( segid " " and resid 181 and name HG2%) 4.700 2.800 1.300 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.53377E-03 ppm1 5.598 ppm2 0.245 CV 1 ASSI { 1231} (( segid " " and resid 161 and name HA )) (( segid " " and resid 182 and name HG1 )) 4.700 2.800 1.300 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.29850E-03 ppm1 5.594 ppm2 1.499 CV 1 ASSI { 1235} (( segid " " and resid 161 and name HB1 )) (( segid " " and resid 185 and name HE21)) 4.200 2.200 1.800 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.50986E-03 ppm1 2.597 ppm2 7.363 CV 1 ASSI { 1236} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 127 and name HB2 )) 4.400 2.400 1.600 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.12805E-02 ppm1 2.580 ppm2 2.927 CV 1 ASSI { 1237} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 127 and name HD% ) 4.400 2.400 1.600 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.46476E-03 ppm1 2.553 ppm2 6.838 CV 1 ASSI { 1239} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 161 and name HA )) 3.900 1.900 1.900 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.45175E-03 ppm1 2.610 ppm2 5.585 CV 1 ASSI { 1240} (( segid " " and resid 161 and name HB2 )) ( segid " " and resid 161 and name HD% ) 3.200 1.300 1.300 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.80348E-03 ppm1 2.590 ppm2 6.895 CV 1 ASSI { 1241} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 162 and name HB2 )) 4.200 4.200 1.800 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.12152E-02 ppm1 2.594 ppm2 2.695 CV 1 ASSI { 1242} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 182 and name HA )) 4.700 2.700 1.300 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.29619E-03 ppm1 2.591 ppm2 4.066 CV 1 ASSI { 1243} (( segid " " and resid 161 and name HB2 )) (( segid " " and resid 182 and name HG1 )) 3.800 1.800 1.800 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.75115E-03 ppm1 2.592 ppm2 1.486 CV 1 ASSI { 1244} (( segid " " and resid 162 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.800 1.000 1.000 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.18153E-02 ppm1 4.862 ppm2 2.847 CV 1 ASSI { 1245} (( segid " " and resid 162 and name HA )) (( segid " " and resid 127 and name HB2 )) 4.600 4.600 1.400 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.67533E-03 ppm1 4.865 ppm2 2.981 CV 1 ASSI { 1246} (( segid " " and resid 162 and name HA )) (( segid " " and resid 128 and name HB1 )) 6.000 5.100 0.000 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.89327E-04 ppm1 4.896 ppm2 1.570 CV 1 ASSI { 1247} (( segid " " and resid 162 and name HA )) (( segid " " and resid 128 and name HN )) 4.000 4.000 2.000 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.46409E-03 ppm1 4.866 ppm2 9.035 CV 1 ASSI { 1250} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB1 )) 2.900 1.100 1.100 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.17715E-02 ppm1 4.872 ppm2 2.900 CV 1 ASSI { 1251} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 3.000 1.100 1.100 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.11752E-02 ppm1 4.842 ppm2 2.699 CV 1 ASSI { 1252} (( segid " " and resid 162 and name HA )) ( segid " " and resid 162 and name HD% ) 4.100 2.100 1.900 peak 1252 spectrum 1 weight 0.11000E+01 volume 0.91763E-03 ppm1 4.870 ppm2 7.199 CV 1 ASSI { 1255} (( segid " " and resid 162 and name HA )) ( segid " " and resid 181 and name HD1%) 5.000 3.100 1.000 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.30693E-03 ppm1 4.873 ppm2 0.400 CV 1 ASSI { 1256} (( segid " " and resid 162 and name HA )) ( segid " " and resid 181 and name HG2%) 4.800 2.900 1.200 peak 1256 spectrum 1 weight 0.11000E+01 volume 0.47684E-03 ppm1 4.865 ppm2 0.239 CV 1 ASSI { 1258} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 127 and name HD% ) 4.100 2.100 1.900 peak 1258 spectrum 1 weight 0.11000E+01 volume 0.83507E-03 ppm1 2.903 ppm2 6.849 CV 1 ASSI { 1260} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 162 and name HB2 )) 1.900 0.400 0.400 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.69557E-02 ppm1 2.896 ppm2 2.695 CV 1 ASSI { 1261} (( segid " " and resid 162 and name HB1 )) ( segid " " and resid 162 and name HD% ) 3.600 1.600 1.600 peak 1261 spectrum 1 weight 0.11000E+01 volume 0.51483E-03 ppm1 2.892 ppm2 7.207 CV 1 ASSI { 1262} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 174 and name HZ )) 5.200 3.400 0.800 peak 1262 spectrum 1 weight 0.11000E+01 volume 0.40007E-03 ppm1 2.904 ppm2 6.702 CV 1 ASSI { 1263} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 178 and name HA )) 3.300 1.400 1.400 peak 1263 spectrum 1 weight 0.11000E+01 volume 0.12736E-02 ppm1 2.896 ppm2 4.688 CV 1 ASSI { 1264} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 178 and name HB2 )) 3.100 3.100 2.900 peak 1264 spectrum 1 weight 0.11000E+01 volume 0.45686E-03 ppm1 2.892 ppm2 3.188 CV 1 ASSI { 1265} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 128 and name HG1 )) 4.300 2.400 1.700 peak 1265 spectrum 1 weight 0.11000E+01 volume 0.35982E-03 ppm1 2.699 ppm2 2.231 CV 1 ASSI { 1266} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 128 and name HN )) 4.600 2.700 1.400 peak 1266 spectrum 1 weight 0.11000E+01 volume 0.41061E-03 ppm1 2.703 ppm2 9.128 CV 1 ASSI { 1269} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 163 and name HA )) 3.800 1.800 1.800 peak 1269 spectrum 1 weight 0.11000E+01 volume 0.10396E-02 ppm1 2.720 ppm2 4.625 CV 1 ASSI { 1270} (( segid " " and resid 163 and name HA )) (( segid " " and resid 128 and name HB2 )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.11000E+01 volume 0.11891E-02 ppm1 4.636 ppm2 1.023 CV 1 ASSI { 1271} (( segid " " and resid 163 and name HA )) (( segid " " and resid 128 and name HG1 )) 3.200 1.300 1.300 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.83162E-03 ppm1 4.629 ppm2 2.205 CV 1 ASSI { 1272} (( segid " " and resid 163 and name HA )) (( segid " " and resid 164 and name HD1 )) 2.800 1.000 1.000 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.98756E-03 ppm1 4.641 ppm2 3.408 CV 1 ASSI { 1274} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 128 and name HB2 )) 5.300 3.500 0.700 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.72175E-03 ppm1 1.995 ppm2 1.051 CV 1 ASSI { 1275} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 128 and name HN )) 3.500 3.500 2.500 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.21282E-02 ppm1 1.990 ppm2 9.180 CV 1 ASSI { 1276} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 163 and name HB1 )) 2.200 0.600 0.600 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.25715E-02 ppm1 2.001 ppm2 1.823 CV 1 ASSI { 1277} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 164 and name HD1 )) 3.800 1.800 1.800 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.26478E-03 ppm1 1.996 ppm2 3.442 CV 1 ASSI { 1278} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 201 and name HB2 )) 2.400 0.700 0.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 3.390 ppm2 2.592 CV 1 ASSI { 1279} (( segid " " and resid 164 and name HA )) ( segid " " and resid 162 and name HD% ) 3.700 3.700 2.300 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.64977E-03 ppm1 4.592 ppm2 7.177 CV 1 ASSI { 1280} (( segid " " and resid 164 and name HA )) ( segid " " and resid 162 and name HE% ) 3.500 3.500 2.500 peak 1280 spectrum 1 weight 0.11000E+01 volume 0.74918E-03 ppm1 4.606 ppm2 6.474 CV 1 ASSI { 1281} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB1 )) 2.500 0.800 0.800 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.26519E-02 ppm1 4.597 ppm2 1.991 CV 1 ASSI { 1282} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB2 )) 3.000 1.200 1.200 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.23144E-02 ppm1 4.592 ppm2 2.484 CV 1 ASSI { 1284} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG1 )) 3.700 1.700 1.700 peak 1284 spectrum 1 weight 0.11000E+01 volume 0.16443E-02 ppm1 4.593 ppm2 2.075 CV 1 OR { 1284} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HG2 )) ASSI { 1285} (( segid " " and resid 164 and name HA )) ( segid " " and resid 165 and name HG1%) 5.000 3.100 1.000 peak 1285 spectrum 1 weight 0.11000E+01 volume 0.59484E-03 ppm1 4.599 ppm2 0.849 CV 1 ASSI { 1286} (( segid " " and resid 164 and name HA )) (( segid " " and resid 220 and name HG1 )) 3.900 1.900 1.900 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.23354E-03 ppm1 4.609 ppm2 2.195 CV 1 ASSI { 1287} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 128 and name HG1 )) 3.400 1.400 1.400 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.34355E-02 ppm1 2.017 ppm2 2.198 CV 1 ASSI { 1288} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 163 and name HB1 )) 3.400 3.400 2.600 peak 1288 spectrum 1 weight 0.11000E+01 volume 0.70987E-02 ppm1 2.008 ppm2 1.823 CV 1 ASSI { 1289} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 163 and name HG1 )) 3.300 3.300 2.700 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.30407E-02 ppm1 2.019 ppm2 1.653 CV 1 ASSI { 1294} (( segid " " and resid 164 and name HB1 )) (( segid " " and resid 166 and name HB1 )) 4.500 2.500 1.500 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.43510E-03 ppm1 2.009 ppm2 2.912 CV 1 ASSI { 1295} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 163 and name HD1 )) 4.900 3.000 1.100 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.54121E-03 ppm1 2.481 ppm2 3.380 CV 1 ASSI { 1298} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HB1 )) 2.200 0.600 0.600 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.35343E-02 ppm1 2.483 ppm2 2.013 CV 1 ASSI { 1299} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HG1 )) 2.900 1.000 1.000 peak 1299 spectrum 1 weight 0.11000E+01 volume 0.22679E-02 ppm1 2.485 ppm2 2.089 CV 1 OR { 1299} (( segid " " and resid 164 and name HB2 )) (( segid " " and resid 164 and name HG2 )) ASSI { 1301} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 128 and name HB2 )) 4.600 2.700 1.400 peak 1301 spectrum 1 weight 0.11000E+01 volume 0.43634E-03 ppm1 3.437 ppm2 1.026 CV 1 ASSI { 1302} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 163 and name HG1 )) 4.100 2.200 1.900 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.51351E-03 ppm1 3.426 ppm2 1.663 CV 1 ASSI { 1303} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HA )) 3.600 1.700 1.700 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.85155E-03 ppm1 3.428 ppm2 4.622 CV 1 ASSI { 1304} (( segid " " and resid 164 and name HD1 )) (( segid " " and resid 164 and name HB1 )) 3.800 1.800 1.800 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.93096E-03 ppm1 3.439 ppm2 1.992 CV 1 ASSI { 1306} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 128 and name HG2 )) 4.400 2.500 1.600 peak 1306 spectrum 1 weight 0.11000E+01 volume 0.72497E-03 ppm1 3.672 ppm2 2.176 CV 1 ASSI { 1307} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 163 and name HG1 )) 3.600 1.700 1.700 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.45628E-03 ppm1 3.663 ppm2 1.690 CV 1 ASSI { 1308} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HB1 )) 4.100 2.100 1.900 peak 1308 spectrum 1 weight 0.11000E+01 volume 0.10020E-02 ppm1 3.674 ppm2 1.994 CV 1 ASSI { 1309} (( segid " " and resid 164 and name HD2 )) (( segid " " and resid 164 and name HD1 )) 2.600 0.800 0.800 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.10642E-02 ppm1 3.664 ppm2 3.422 CV 1 ASSI { 1312} (( segid " " and resid 165 and name HA )) ( segid " " and resid 168 and name HD% ) 3.600 3.600 2.400 peak 1312 spectrum 1 weight 0.11000E+01 volume 0.17539E-02 ppm1 4.315 ppm2 7.377 CV 1 ASSI { 1314} (( segid " " and resid 165 and name HA )) (( segid " " and resid 168 and name HN )) 5.600 3.900 0.400 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.52268E-03 ppm1 4.324 ppm2 7.873 CV 1 ASSI { 1315} (( segid " " and resid 208 and name HB )) (( segid " " and resid 152 and name HD22)) 3.600 1.600 1.600 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.51863E-03 ppm1 2.128 ppm2 6.545 CV 1 ASSI { 1316} (( segid " " and resid 165 and name HB )) (( segid " " and resid 162 and name HB2 )) 4.700 2.700 1.300 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.31886E-03 ppm1 2.128 ppm2 2.711 CV 1 ASSI { 1317} (( segid " " and resid 165 and name HB )) (( segid " " and resid 165 and name HA )) 3.000 1.100 1.100 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.17099E-02 ppm1 2.115 ppm2 4.311 CV 1 ASSI { 1318} (( segid " " and resid 165 and name HB )) ( segid " " and resid 165 and name HG1%) 2.400 0.700 0.700 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.57300E-02 ppm1 2.121 ppm2 0.862 CV 1 ASSI { 1320} (( segid " " and resid 165 and name HB )) (( segid " " and resid 166 and name HA )) 4.800 2.900 1.200 peak 1320 spectrum 1 weight 0.11000E+01 volume 0.45400E-03 ppm1 2.129 ppm2 4.604 CV 1 ASSI { 1321} (( segid " " and resid 165 and name HB )) ( segid " " and resid 174 and name HE% ) 4.200 2.200 1.800 peak 1321 spectrum 1 weight 0.11000E+01 volume 0.31986E-03 ppm1 2.102 ppm2 7.183 CV 1 ASSI { 1323} (( segid " " and resid 165 and name HB )) (( segid " " and resid 220 and name HB1 )) 2.200 2.200 3.800 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.28999E-01 ppm1 2.131 ppm2 2.183 CV 1 ASSI { 1324} (( segid " " and resid 165 and name HB )) (( segid " " and resid 220 and name HB2 )) 4.100 2.100 1.900 peak 1324 spectrum 1 weight 0.11000E+01 volume 0.13732E-02 ppm1 2.131 ppm2 1.895 CV 1 ASSI { 1326} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 128 and name HG2 )) 3.300 3.300 2.700 peak 1326 spectrum 1 weight 0.11000E+01 volume 0.38516E-02 ppm1 0.851 ppm2 2.161 CV 1 ASSI { 1327} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 163 and name HG1 )) 3.300 1.400 1.400 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.18169E-02 ppm1 0.844 ppm2 1.698 CV 1 ASSI { 1328} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 163 and name HN )) 4.000 4.000 2.000 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.94250E-03 ppm1 0.875 ppm2 7.886 CV 1 ASSI { 1330} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HB1 )) 3.600 1.600 1.600 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.74110E-02 ppm1 0.880 ppm2 2.018 CV 1 ASSI { 1331} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HB2 )) 5.300 3.500 0.700 peak 1331 spectrum 1 weight 0.11000E+01 volume 0.44745E-03 ppm1 0.841 ppm2 2.456 CV 1 ASSI { 1332} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HG2 )) 3.300 3.300 2.700 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.79653E-02 ppm1 0.844 ppm2 2.072 CV 1 OR { 1332} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 164 and name HG1 )) ASSI { 1333} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 165 and name HA )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.11000E+01 volume 0.22831E-02 ppm1 0.855 ppm2 4.324 CV 1 ASSI { 1335} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 166 and name HB1 )) 3.700 1.700 1.700 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.14976E-02 ppm1 0.853 ppm2 2.936 CV 1 ASSI { 1337} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 167 and name HN )) 4.600 2.700 1.400 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.68520E-03 ppm1 0.856 ppm2 8.241 CV 1 ASSI { 1338} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 168 and name HD% ) 4.200 2.200 1.800 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.79896E-03 ppm1 0.859 ppm2 7.387 CV 1 ASSI { 1340} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 174 and name HA )) 3.500 3.500 2.500 peak 1340 spectrum 1 weight 0.11000E+01 volume 0.40141E-02 ppm1 0.847 ppm2 4.157 CV 1 ASSI { 1341} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 217 and name HD% ) 3.200 1.300 1.300 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.12482E-02 ppm1 0.851 ppm2 6.162 CV 1 ASSI { 1342} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 221 and name HA )) 2.700 2.700 3.300 peak 1342 spectrum 1 weight 0.11000E+01 volume 0.93096E-02 ppm1 0.880 ppm2 4.000 CV 1 ASSI { 1343} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 221 and name HB1 )) 4.800 2.800 1.200 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.51119E-03 ppm1 0.851 ppm2 3.586 CV 1 ASSI { 1344} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 221 and name HB2 )) 3.700 1.700 1.700 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.90909E-03 ppm1 0.846 ppm2 3.366 CV 1 ASSI { 1345} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 224 and name HB% ) 3.400 3.400 2.600 peak 1345 spectrum 1 weight 0.11000E+01 volume 0.26124E-02 ppm1 0.848 ppm2 1.455 CV 1 ASSI { 1346} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 165 and name HA )) 3.100 1.200 1.200 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.19779E-02 ppm1 0.946 ppm2 4.324 CV 1 ASSI { 1347} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 165 and name HB )) 2.300 0.700 0.700 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.82906E-02 ppm1 0.947 ppm2 2.151 CV 1 ASSI { 1348} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 217 and name HB1 )) 4.000 2.000 2.000 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.14714E-02 ppm1 0.948 ppm2 2.569 CV 1 ASSI { 1349} (( segid " " and resid 166 and name HA )) ( segid " " and resid 165 and name HG1%) 3.500 1.600 1.600 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.95786E-03 ppm1 4.611 ppm2 0.847 CV 1 ASSI { 1350} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB1 )) 2.900 1.100 1.100 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.50882E-02 ppm1 4.610 ppm2 2.901 CV 1 ASSI { 1351} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB2 )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.11000E+01 volume 0.50589E-02 ppm1 4.611 ppm2 2.687 CV 1 ASSI { 1352} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HA )) 3.900 1.900 1.900 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.72987E-03 ppm1 4.597 ppm2 4.101 CV 1 ASSI { 1353} (( segid " " and resid 166 and name HA )) (( segid " " and resid 167 and name HE22)) 4.900 3.000 1.100 peak 1353 spectrum 1 weight 0.11000E+01 volume 0.52347E-03 ppm1 4.571 ppm2 7.315 CV 1 ASSI { 1356} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HB2 )) 2.000 0.500 0.500 peak 1356 spectrum 1 weight 0.11000E+01 volume 0.69557E-02 ppm1 2.896 ppm2 2.695 CV 1 ASSI { 1357} (( segid " " and resid 166 and name HB2 )) ( segid " " and resid 165 and name HG1%) 4.000 2.000 2.000 peak 1357 spectrum 1 weight 0.11000E+01 volume 0.45708E-03 ppm1 2.682 ppm2 0.852 CV 1 ASSI { 1359} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB1 )) 2.800 1.000 1.000 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.28546E-02 ppm1 4.111 ppm2 1.913 CV 1 ASSI { 1360} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB2 )) 3.200 1.300 1.300 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.18683E-02 ppm1 4.107 ppm2 1.717 CV 1 ASSI { 1361} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HG1 )) 3.600 1.700 1.700 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.26029E-02 ppm1 4.110 ppm2 2.233 CV 1 ASSI { 1362} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 166 and name HA )) 5.200 3.400 0.800 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.54878E-03 ppm1 2.247 ppm2 4.618 CV 1 ASSI { 1364} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 167 and name HB1 )) 3.000 1.200 1.200 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.30555E-02 ppm1 2.249 ppm2 1.922 CV 1 ASSI { 1365} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 167 and name HB2 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.29021E-02 ppm1 2.249 ppm2 1.721 CV 1 ASSI { 1366} (( segid " " and resid 167 and name HG1 )) (( segid " " and resid 168 and name HB1 )) 5.400 3.700 0.600 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.31707E-03 ppm1 2.256 ppm2 3.420 CV 1 ASSI { 1368} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 167 and name HA )) 3.400 1.500 1.500 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.22692E-02 ppm1 2.217 ppm2 4.104 CV 1 ASSI { 1369} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 167 and name HB1 )) 2.800 1.000 1.000 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.32310E-02 ppm1 2.217 ppm2 1.922 CV 1 ASSI { 1370} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 167 and name HB2 )) 2.900 1.100 1.100 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.34818E-02 ppm1 2.220 ppm2 1.716 CV 1 ASSI { 1371} (( segid " " and resid 167 and name HG2 )) (( segid " " and resid 168 and name HB1 )) 5.000 3.100 1.000 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.55340E-03 ppm1 2.219 ppm2 3.427 CV 1 ASSI { 1372} (( segid " " and resid 168 and name HA )) (( segid " " and resid 167 and name HA )) 4.700 2.800 1.300 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.24007E-03 ppm1 4.931 ppm2 4.132 CV 1 ASSI { 1373} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB1 )) 3.000 1.100 1.100 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.19180E-02 ppm1 4.921 ppm2 3.419 CV 1 ASSI { 1374} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB2 )) 3.200 1.300 1.300 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.19462E-02 ppm1 4.924 ppm2 3.019 CV 1 ASSI { 1375} (( segid " " and resid 168 and name HA )) ( segid " " and resid 168 and name HD% ) 3.200 1.300 1.300 peak 1375 spectrum 1 weight 0.11000E+01 volume 0.19662E-02 ppm1 4.924 ppm2 7.380 CV 1 ASSI { 1378} (( segid " " and resid 168 and name HA )) (( segid " " and resid 169 and name HB2 )) 4.400 2.400 1.600 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.50119E-03 ppm1 4.924 ppm2 4.038 CV 1 OR { 1378} (( segid " " and resid 168 and name HA )) (( segid " " and resid 169 and name HB1 )) ASSI { 1380} (( segid " " and resid 168 and name HB1 )) ( segid " " and resid 168 and name HD% ) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.11436E-02 ppm1 3.411 ppm2 7.366 CV 1 ASSI { 1381} (( segid " " and resid 168 and name HB1 )) (( segid " " and resid 169 and name HA )) 4.800 2.900 1.200 peak 1381 spectrum 1 weight 0.11000E+01 volume 0.32935E-03 ppm1 3.411 ppm2 4.544 CV 1 ASSI { 1382} (( segid " " and resid 168 and name HB1 )) (( segid " " and resid 170 and name HN )) 4.100 4.100 1.900 peak 1382 spectrum 1 weight 0.11000E+01 volume 0.38822E-03 ppm1 3.402 ppm2 7.504 CV 1 ASSI { 1385} (( segid " " and resid 168 and name HB2 )) (( segid " " and resid 168 and name HB1 )) 2.500 0.800 0.800 peak 1385 spectrum 1 weight 0.11000E+01 volume 0.16612E-02 ppm1 3.020 ppm2 3.412 CV 1 ASSI { 1386} (( segid " " and resid 168 and name HB2 )) ( segid " " and resid 168 and name HD% ) 3.500 1.600 1.600 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.79858E-03 ppm1 3.014 ppm2 7.371 CV 1 ASSI { 1387} (( segid " " and resid 169 and name HA )) (( segid " " and resid 168 and name HA )) 4.400 2.400 1.600 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.49529E-03 ppm1 4.536 ppm2 4.923 CV 1 ASSI { 1388} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB2 )) 2.600 0.800 0.800 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.63882E-02 ppm1 4.540 ppm2 3.996 CV 1 OR { 1388} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB1 )) ASSI { 1390} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.29550E-02 ppm1 4.759 ppm2 3.219 CV 1 ASSI { 1391} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB2 )) 2.900 1.000 1.000 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.42597E-02 ppm1 4.774 ppm2 3.018 CV 1 ASSI { 1393} (( segid " " and resid 170 and name HB1 )) (( segid " " and resid 170 and name HB2 )) 2.300 0.700 0.700 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.33334E-02 ppm1 3.230 ppm2 3.015 CV 1 ASSI { 1396} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HG1 )) 3.500 1.500 1.500 peak 1396 spectrum 1 weight 0.11000E+01 volume 0.21167E-02 ppm1 3.740 ppm2 2.473 CV 1 ASSI { 1397} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HG2 )) 3.600 1.600 1.600 peak 1397 spectrum 1 weight 0.11000E+01 volume 0.16087E-02 ppm1 3.746 ppm2 2.718 CV 1 ASSI { 1398} (( segid " " and resid 171 and name HA )) (( segid " " and resid 175 and name HB )) 3.700 1.700 1.700 peak 1398 spectrum 1 weight 0.11000E+01 volume 0.65105E-03 ppm1 3.749 ppm2 2.219 CV 1 ASSI { 1399} (( segid " " and resid 171 and name HA )) (( segid " " and resid 214 and name HA )) 5.500 3.800 0.500 peak 1399 spectrum 1 weight 0.11000E+01 volume 0.15726E-03 ppm1 3.754 ppm2 3.485 CV 1 ASSI { 1400} (( segid " " and resid 171 and name HA )) (( segid " " and resid 217 and name HB1 )) 4.200 2.200 1.800 peak 1400 spectrum 1 weight 0.11000E+01 volume 0.65615E-03 ppm1 3.747 ppm2 2.551 CV 1 ASSI { 1401} (( segid " " and resid 171 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.100 3.100 2.900 peak 1401 spectrum 1 weight 0.11000E+01 volume 0.26342E-02 ppm1 3.751 ppm2 2.111 CV 1 ASSI { 1402} (( segid " " and resid 171 and name HA )) ( segid " " and resid 217 and name HD% ) 3.800 1.900 1.900 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.56705E-03 ppm1 3.744 ppm2 6.178 CV 1 ASSI { 1404} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 171 and name HG2 )) 1.900 0.500 0.500 peak 1404 spectrum 1 weight 0.11000E+01 volume 0.90034E-02 ppm1 2.488 ppm2 2.712 CV 1 ASSI { 1405} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 175 and name HG1%) 4.800 2.900 1.200 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.79710E-03 ppm1 2.506 ppm2 1.014 CV 1 ASSI { 1406} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 175 and name HG2%) 4.700 2.800 1.300 peak 1406 spectrum 1 weight 0.11000E+01 volume 0.43113E-03 ppm1 2.513 ppm2 1.071 CV 1 ASSI { 1407} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 217 and name HB1 )) 1.800 1.800 4.200 peak 1407 spectrum 1 weight 0.11000E+01 volume 0.44085E-01 ppm1 2.490 ppm2 2.569 CV 1 ASSI { 1408} (( segid " " and resid 171 and name HG1 )) (( segid " " and resid 217 and name HB2 )) 2.500 2.500 3.500 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.15448E-01 ppm1 2.493 ppm2 2.111 CV 1 ASSI { 1409} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 217 and name HD% ) 5.400 3.700 0.600 peak 1409 spectrum 1 weight 0.11000E+01 volume 0.88733E-04 ppm1 2.497 ppm2 6.189 CV 1 ASSI { 1410} (( segid " " and resid 171 and name HG1 )) ( segid " " and resid 217 and name HE% ) 3.700 3.700 2.300 peak 1410 spectrum 1 weight 0.11000E+01 volume 0.11980E-02 ppm1 2.500 ppm2 7.143 CV 1 ASSI { 1411} (( segid " " and resid 171 and name HG2 )) (( segid " " and resid 170 and name HA )) 5.200 5.200 0.800 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.44200E-03 ppm1 2.708 ppm2 4.699 CV 1 ASSI { 1413} (( segid " " and resid 171 and name HG2 )) (( segid " " and resid 175 and name HB )) 4.200 2.200 1.800 peak 1413 spectrum 1 weight 0.11000E+01 volume 0.50223E-03 ppm1 2.720 ppm2 2.210 CV 1 ASSI { 1414} (( segid " " and resid 171 and name HG2 )) ( segid " " and resid 217 and name HD% ) 4.500 4.500 1.500 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.32362E-03 ppm1 2.727 ppm2 6.150 CV 1 ASSI { 1416} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB2 )) 2.700 0.900 0.900 peak 1416 spectrum 1 weight 0.11000E+01 volume 0.31802E-02 ppm1 4.226 ppm2 2.722 CV 1 ASSI { 1417} (( segid " " and resid 172 and name HA )) (( segid " " and resid 175 and name HB )) 2.700 0.900 0.900 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.20519E-02 ppm1 4.227 ppm2 2.197 CV 1 ASSI { 1418} (( segid " " and resid 172 and name HA )) ( segid " " and resid 175 and name HG1%) 3.300 1.400 1.400 peak 1418 spectrum 1 weight 0.11000E+01 volume 0.18662E-02 ppm1 4.227 ppm2 1.050 CV 1 ASSI { 1420} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 172 and name HA )) 2.800 0.900 0.900 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.25048E-02 ppm1 2.779 ppm2 4.227 CV 1 ASSI { 1421} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 176 and name HA )) 4.100 2.100 1.900 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.11368E-02 ppm1 2.770 ppm2 4.284 CV 1 ASSI { 1423} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 172 and name HB1 )) 1.800 0.400 0.400 peak 1423 spectrum 1 weight 0.11000E+01 volume 0.15112E-01 ppm1 2.678 ppm2 2.742 CV 1 ASSI { 1424} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 173 and name HA )) 3.400 3.400 2.600 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.11881E-02 ppm1 2.673 ppm2 4.300 CV 1 ASSI { 1425} (( segid " " and resid 173 and name HA )) (( segid " " and resid 170 and name HB1 )) 3.800 1.800 1.800 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.22836E-02 ppm1 4.306 ppm2 3.239 CV 1 ASSI { 1426} (( segid " " and resid 173 and name HA )) (( segid " " and resid 172 and name HD22)) 3.700 1.700 1.700 peak 1426 spectrum 1 weight 0.11000E+01 volume 0.14506E-02 ppm1 4.297 ppm2 6.906 CV 1 ASSI { 1427} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB2 )) 3.500 1.500 1.500 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.10319E-02 ppm1 4.305 ppm2 3.325 CV 1 OR { 1427} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HB1 )) ASSI { 1428} (( segid " " and resid 173 and name HA )) (( segid " " and resid 177 and name HA )) 3.700 3.700 2.300 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.10489E-02 ppm1 4.292 ppm2 4.566 CV 1 ASSI { 1429} (( segid " " and resid 173 and name HA )) (( segid " " and resid 177 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.11000E+01 volume 0.25226E-02 ppm1 4.310 ppm2 7.333 CV 1 ASSI { 1430} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 171 and name HE22)) 4.800 2.800 1.200 peak 1430 spectrum 1 weight 0.11000E+01 volume 0.10395E-02 ppm1 4.158 ppm2 7.406 CV 1 ASSI { 1431} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HB2 )) 1.900 0.400 0.400 peak 1431 spectrum 1 weight 0.11000E+01 volume 0.89843E-02 ppm1 4.152 ppm2 4.263 CV 1 ASSI { 1432} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 171 and name HE22)) 4.800 2.900 1.200 peak 1432 spectrum 1 weight 0.11000E+01 volume 0.10390E-02 ppm1 4.259 ppm2 7.371 CV 1 ASSI { 1434} (( segid " " and resid 174 and name HB1 )) (( segid " " and resid 174 and name HB2 )) 2.000 2.000 4.000 peak 1434 spectrum 1 weight 0.11000E+01 volume 0.67199E-02 ppm1 2.694 ppm2 2.895 CV 1 ASSI { 1435} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HB )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.45459E-03 ppm1 3.408 ppm2 2.191 CV 1 ASSI { 1436} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HG1%) 2.800 1.000 1.000 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.27255E-02 ppm1 3.406 ppm2 1.050 CV 1 ASSI { 1437} (( segid " " and resid 175 and name HA )) ( segid " " and resid 175 and name HG2%) 2.600 0.900 0.900 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.27289E-02 ppm1 3.402 ppm2 1.053 CV 1 ASSI { 1439} (( segid " " and resid 175 and name HA )) (( segid " " and resid 178 and name HB1 )) 3.000 1.100 1.100 peak 1439 spectrum 1 weight 0.11000E+01 volume 0.12460E-02 ppm1 3.407 ppm2 2.848 CV 1 ASSI { 1440} (( segid " " and resid 175 and name HA )) (( segid " " and resid 178 and name HB2 )) 4.100 2.100 1.900 peak 1440 spectrum 1 weight 0.11000E+01 volume 0.87158E-03 ppm1 3.415 ppm2 3.228 CV 1 ASSI { 1441} (( segid " " and resid 175 and name HA )) (( segid " " and resid 213 and name HB1 )) 3.700 1.700 1.700 peak 1441 spectrum 1 weight 0.11000E+01 volume 0.74007E-03 ppm1 3.405 ppm2 3.555 CV 1 ASSI { 1442} (( segid " " and resid 175 and name HA )) (( segid " " and resid 213 and name HB2 )) 3.800 1.900 1.900 peak 1442 spectrum 1 weight 0.11000E+01 volume 0.12460E-02 ppm1 3.407 ppm2 2.858 CV 1 ASSI { 1443} (( segid " " and resid 175 and name HA )) (( segid " " and resid 214 and name HA )) 4.700 2.800 1.300 peak 1443 spectrum 1 weight 0.11000E+01 volume 0.22877E-02 ppm1 3.407 ppm2 3.445 CV 1 ASSI { 1447} (( segid " " and resid 175 and name HB )) ( segid " " and resid 175 and name HG1%) 2.100 0.500 0.500 peak 1447 spectrum 1 weight 0.11000E+01 volume 0.86583E-02 ppm1 2.217 ppm2 1.029 CV 1 ASSI { 1448} (( segid " " and resid 175 and name HB )) (( segid " " and resid 178 and name HB1 )) 4.800 2.900 1.200 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.31496E-03 ppm1 2.210 ppm2 2.856 CV 1 ASSI { 1449} (( segid " " and resid 175 and name HB )) (( segid " " and resid 214 and name HG12)) 4.200 2.200 1.800 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.73722E-03 ppm1 2.227 ppm2 1.326 CV 1 ASSI { 1450} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 174 and name HB2 )) 4.300 2.300 1.700 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.20985E-02 ppm1 1.057 ppm2 2.913 CV 1 ASSI { 1452} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 213 and name HB1 )) 2.300 2.300 3.700 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.19740E-02 ppm1 1.039 ppm2 3.515 CV 1 ASSI { 1453} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 214 and name HA )) 3.000 3.000 3.000 peak 1453 spectrum 1 weight 0.11000E+01 volume 0.21579E-02 ppm1 1.052 ppm2 3.444 CV 1 ASSI { 1454} ( segid " " and resid 175 and name HG1%) (( segid " " and resid 214 and name HB )) 2.500 2.500 3.500 peak 1454 spectrum 1 weight 0.11000E+01 volume 0.44487E-02 ppm1 1.051 ppm2 1.999 CV 1 ASSI { 1456} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HA )) 4.100 2.100 1.900 peak 1456 spectrum 1 weight 0.11000E+01 volume 0.10515E-02 ppm1 1.052 ppm2 4.235 CV 1 ASSI { 1457} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 172 and name HB2 )) 4.800 4.800 1.200 peak 1457 spectrum 1 weight 0.11000E+01 volume 0.82563E-03 ppm1 1.052 ppm2 2.648 CV 1 ASSI { 1458} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 174 and name HB1 )) 3.400 3.400 2.600 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.12003E-02 ppm1 1.055 ppm2 2.734 CV 1 ASSI { 1459} ( segid " " and resid 175 and name HG2%) ( segid " " and resid 174 and name HE% ) 3.400 3.400 2.600 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.13938E-02 ppm1 1.056 ppm2 7.187 CV 1 ASSI { 1461} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 175 and name HB )) 2.500 0.800 0.800 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.30856E-02 ppm1 1.054 ppm2 2.196 CV 1 ASSI { 1462} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 177 and name HB1 )) 4.100 2.100 1.900 peak 1462 spectrum 1 weight 0.11000E+01 volume 0.90677E-03 ppm1 1.059 ppm2 2.963 CV 1 ASSI { 1463} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 178 and name HB1 )) 3.600 1.600 1.600 peak 1463 spectrum 1 weight 0.11000E+01 volume 0.95733E-03 ppm1 1.062 ppm2 2.844 CV 1 ASSI { 1464} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 179 and name HN )) 3.200 1.200 1.200 peak 1464 spectrum 1 weight 0.11000E+01 volume 0.40517E-02 ppm1 1.052 ppm2 9.198 CV 1 ASSI { 1465} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 214 and name HA )) 2.300 0.700 0.700 peak 1465 spectrum 1 weight 0.11000E+01 volume 0.21061E-02 ppm1 1.052 ppm2 3.490 CV 1 ASSI { 1466} ( segid " " and resid 175 and name HG2%) (( segid " " and resid 214 and name HB )) 3.800 1.800 1.800 peak 1466 spectrum 1 weight 0.11000E+01 volume 0.17187E-02 ppm1 1.049 ppm2 1.978 CV 1 ASSI { 1467} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB1 )) 2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.11000E+01 volume 0.35445E-02 ppm1 4.302 ppm2 3.330 CV 1 OR { 1467} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB2 )) ASSI { 1468} (( segid " " and resid 176 and name HA )) (( segid " " and resid 179 and name HB )) 4.400 2.500 1.600 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.73796E-03 ppm1 4.300 ppm2 2.136 CV 1 ASSI { 1471} (( segid " " and resid 176 and name HA )) (( segid " " and resid 180 and name HB2 )) 4.500 2.500 1.500 peak 1471 spectrum 1 weight 0.11000E+01 volume 0.45738E-03 ppm1 4.299 ppm2 2.804 CV 1 ASSI { 1472} (( segid " " and resid 176 and name HB1 )) ( segid " " and resid 175 and name HG1%) 5.200 3.400 0.800 peak 1472 spectrum 1 weight 0.11000E+01 volume 0.23254E-03 ppm1 3.308 ppm2 1.043 CV 1 OR { 1472} (( segid " " and resid 176 and name HB2 )) ( segid " " and resid 175 and name HG1%) ASSI { 1474} (( segid " " and resid 176 and name HB1 )) (( segid " " and resid 176 and name HD1 )) 3.900 1.900 1.900 peak 1474 spectrum 1 weight 0.11000E+01 volume 0.49138E-03 ppm1 3.328 ppm2 7.352 CV 1 OR { 1474} (( segid " " and resid 176 and name HB2 )) (( segid " " and resid 176 and name HD1 )) ASSI { 1475} (( segid " " and resid 177 and name HA )) (( segid " " and resid 177 and name HB1 )) 2.900 1.100 1.100 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.38616E-02 ppm1 4.582 ppm2 2.992 CV 1 ASSI { 1476} (( segid " " and resid 177 and name HA )) (( segid " " and resid 177 and name HB2 )) 2.600 0.900 0.900 peak 1476 spectrum 1 weight 0.11000E+01 volume 0.35369E-02 ppm1 4.586 ppm2 2.962 CV 1 ASSI { 1478} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB1 )) 3.900 1.900 1.900 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.21044E-02 ppm1 4.580 ppm2 2.855 CV 1 ASSI { 1479} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB2 )) 2.700 0.900 0.900 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.21519E-02 ppm1 4.583 ppm2 2.811 CV 1 ASSI { 1480} (( segid " " and resid 177 and name HA )) (( segid " " and resid 181 and name HG11)) 4.600 2.600 1.400 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.47500E-03 ppm1 4.591 ppm2 0.877 CV 1 ASSI { 1481} (( segid " " and resid 177 and name HA )) ( segid " " and resid 181 and name HG2%) 5.100 5.100 0.900 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.38911E-03 ppm1 4.582 ppm2 0.280 CV 1 ASSI { 1482} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 176 and name HB2 )) 4.900 3.000 1.100 peak 1482 spectrum 1 weight 0.11000E+01 volume 0.48296E-03 ppm1 2.978 ppm2 3.314 CV 1 OR { 1482} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 176 and name HB1 )) ASSI { 1486} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 178 and name HB1 )) 3.500 1.500 1.500 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.23211E-02 ppm1 2.988 ppm2 2.833 CV 1 ASSI { 1488} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HB1 )) 2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.11000E+01 volume 0.30644E-02 ppm1 4.683 ppm2 2.854 CV 1 ASSI { 1490} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HB )) 4.000 2.000 2.000 peak 1490 spectrum 1 weight 0.11000E+01 volume 0.89674E-03 ppm1 4.698 ppm2 1.603 CV 1 ASSI { 1491} (( segid " " and resid 178 and name HA )) ( segid " " and resid 181 and name HD1%) 6.000 5.400 0.000 peak 1491 spectrum 1 weight 0.11000E+01 volume 0.61100E-04 ppm1 4.689 ppm2 0.435 CV 1 ASSI { 1492} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HG11)) 2.900 1.000 1.000 peak 1492 spectrum 1 weight 0.11000E+01 volume 0.10158E-02 ppm1 4.689 ppm2 0.885 CV 1 ASSI { 1493} (( segid " " and resid 178 and name HA )) (( segid " " and resid 181 and name HG12)) 3.400 1.400 1.400 peak 1493 spectrum 1 weight 0.11000E+01 volume 0.63728E-03 ppm1 4.706 ppm2 0.970 CV 1 ASSI { 1494} (( segid " " and resid 178 and name HA )) ( segid " " and resid 181 and name HG2%) 4.800 2.800 1.200 peak 1494 spectrum 1 weight 0.11000E+01 volume 0.72848E-03 ppm1 4.712 ppm2 0.241 CV 1 ASSI { 1499} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 181 and name HG12)) 4.900 3.000 1.100 peak 1499 spectrum 1 weight 0.11000E+01 volume 0.47815E-03 ppm1 2.869 ppm2 0.989 CV 1 ASSI { 1500} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 213 and name HA )) 4.200 2.200 1.800 peak 1500 spectrum 1 weight 0.11000E+01 volume 0.54243E-03 ppm1 2.842 ppm2 4.374 CV 1 ASSI { 1501} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 213 and name HB1 )) 4.200 2.200 1.800 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.29327E-03 ppm1 2.842 ppm2 3.548 CV 1 ASSI { 1503} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 177 and name HB1 )) 4.600 2.600 1.400 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.89650E-03 ppm1 3.190 ppm2 2.982 CV 1 ASSI { 1504} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HA )) 3.400 1.500 1.500 peak 1504 spectrum 1 weight 0.11000E+01 volume 0.49515E-03 ppm1 3.204 ppm2 4.675 CV 1 ASSI { 1505} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HB1 )) 2.400 0.700 0.700 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.15818E-02 ppm1 3.208 ppm2 2.853 CV 1 ASSI { 1506} (( segid " " and resid 178 and name HB2 )) ( segid " " and resid 179 and name HG1%) 4.300 2.300 1.700 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.39764E-03 ppm1 3.199 ppm2 1.053 CV 1 ASSI { 1508} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB )) 2.400 0.700 0.700 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.20842E-02 ppm1 3.684 ppm2 2.130 CV 1 ASSI { 1509} (( segid " " and resid 179 and name HA )) ( segid " " and resid 179 and name HG1%) 2.700 0.900 0.900 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.29344E-02 ppm1 3.687 ppm2 1.046 CV 1 ASSI { 1510} (( segid " " and resid 179 and name HA )) ( segid " " and resid 179 and name HG2%) 2.800 1.000 1.000 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.48767E-02 ppm1 3.671 ppm2 0.946 CV 1 ASSI { 1511} (( segid " " and resid 179 and name HA )) (( segid " " and resid 180 and name HA )) 4.400 2.400 1.600 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.31628E-03 ppm1 3.668 ppm2 4.315 CV 1 ASSI { 1512} (( segid " " and resid 179 and name HA )) (( segid " " and resid 182 and name HB )) 2.600 0.900 0.900 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.68733E-03 ppm1 3.677 ppm2 4.489 CV 1 ASSI { 1514} (( segid " " and resid 179 and name HA )) (( segid " " and resid 209 and name HB )) 4.400 4.400 1.600 peak 1514 spectrum 1 weight 0.11000E+01 volume 0.80114E-03 ppm1 3.690 ppm2 2.218 CV 1 ASSI { 1515} (( segid " " and resid 179 and name HA )) ( segid " " and resid 209 and name HG1%) 3.000 1.100 1.100 peak 1515 spectrum 1 weight 0.11000E+01 volume 0.34995E-02 ppm1 3.670 ppm2 0.960 CV 1 ASSI { 1516} (( segid " " and resid 179 and name HA )) ( segid " " and resid 209 and name HG2%) 3.400 1.400 1.400 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.28648E-02 ppm1 3.674 ppm2 1.221 CV 1 ASSI { 1518} (( segid " " and resid 179 and name HB )) (( segid " " and resid 206 and name HA )) 3.900 1.900 1.900 peak 1518 spectrum 1 weight 0.11000E+01 volume 0.45574E-03 ppm1 2.148 ppm2 3.637 CV 1 ASSI { 1519} (( segid " " and resid 179 and name HB )) ( segid " " and resid 209 and name HG1%) 2.400 0.700 0.700 peak 1519 spectrum 1 weight 0.11000E+01 volume 0.38792E-02 ppm1 2.152 ppm2 0.952 CV 1 ASSI { 1520} (( segid " " and resid 179 and name HB )) (( segid " " and resid 210 and name HB1 )) 2.000 2.000 4.000 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.35394E-01 ppm1 2.145 ppm2 2.165 CV 1 ASSI { 1521} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 161 and name HN )) 4.100 2.100 1.900 peak 1521 spectrum 1 weight 0.11000E+01 volume 0.83712E-03 ppm1 1.054 ppm2 8.430 CV 1 ASSI { 1522} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 175 and name HA )) 3.300 1.400 1.400 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.15262E-02 ppm1 1.042 ppm2 3.389 CV 1 ASSI { 1523} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 175 and name HB )) 2.700 2.700 3.300 peak 1523 spectrum 1 weight 0.11000E+01 volume 0.14184E-01 ppm1 1.053 ppm2 2.203 CV 1 ASSI { 1524} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 176 and name HA )) 2.800 1.000 1.000 peak 1524 spectrum 1 weight 0.11000E+01 volume 0.16044E-02 ppm1 1.048 ppm2 4.285 CV 1 ASSI { 1525} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 182 and name HA )) 3.400 3.400 2.600 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.50214E-02 ppm1 1.056 ppm2 4.056 CV 1 ASSI { 1526} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 182 and name HG1 )) 4.000 2.000 2.000 peak 1526 spectrum 1 weight 0.11000E+01 volume 0.18800E-02 ppm1 1.056 ppm2 1.482 CV 1 ASSI { 1527} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 183 and name HB )) 4.400 4.400 1.600 peak 1527 spectrum 1 weight 0.11000E+01 volume 0.14888E-02 ppm1 1.055 ppm2 2.330 CV 1 ASSI { 1528} ( segid " " and resid 179 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.800 2.800 3.200 peak 1528 spectrum 1 weight 0.11000E+01 volume 0.80035E-02 ppm1 1.053 ppm2 1.213 CV 1 ASSI { 1529} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HA )) 2.400 0.700 0.700 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.22894E-02 ppm1 1.052 ppm2 3.560 CV 1 ASSI { 1530} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HB1 )) 2.700 0.900 0.900 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.73312E-02 ppm1 1.053 ppm2 2.156 CV 1 ASSI { 1531} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 210 and name HN )) 4.200 2.300 1.800 peak 1531 spectrum 1 weight 0.11000E+01 volume 0.67780E-03 ppm1 1.056 ppm2 8.140 CV 1 ASSI { 1532} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 213 and name HB2 )) 3.200 1.300 1.300 peak 1532 spectrum 1 weight 0.11000E+01 volume 0.95798E-03 ppm1 1.045 ppm2 2.838 CV 1 ASSI { 1533} ( segid " " and resid 179 and name HG1%) (( segid " " and resid 213 and name HN )) 2.600 2.600 3.400 peak 1533 spectrum 1 weight 0.11000E+01 volume 0.12469E-01 ppm1 1.053 ppm2 9.218 CV 1 ASSI { 1534} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 176 and name HA )) 3.100 1.200 1.200 peak 1534 spectrum 1 weight 0.11000E+01 volume 0.17089E-02 ppm1 0.959 ppm2 4.295 CV 1 ASSI { 1536} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HB )) 2.100 0.600 0.600 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.82906E-02 ppm1 0.947 ppm2 2.151 CV 1 ASSI { 1537} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 181 and name HB )) 4.700 2.700 1.300 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.82725E-03 ppm1 0.949 ppm2 1.635 CV 1 ASSI { 1538} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HA )) 3.900 3.900 2.100 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.27613E-02 ppm1 0.942 ppm2 4.094 CV 1 ASSI { 1539} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HG1 )) 3.800 3.800 2.200 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.36173E-02 ppm1 0.950 ppm2 1.491 CV 1 ASSI { 1540} ( segid " " and resid 179 and name HG2%) ( segid " " and resid 209 and name HG2%) 3.400 3.400 2.600 peak 1540 spectrum 1 weight 0.11000E+01 volume 0.47786E-02 ppm1 0.956 ppm2 1.267 CV 1 ASSI { 1541} (( segid " " and resid 180 and name HA )) (( segid " " and resid 177 and name HA )) 4.500 2.600 1.500 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.83691E-03 ppm1 4.327 ppm2 4.619 CV 1 ASSI { 1542} (( segid " " and resid 180 and name HA )) ( segid " " and resid 179 and name HG2%) 3.200 1.200 1.200 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.14952E-02 ppm1 4.310 ppm2 0.956 CV 1 ASSI { 1544} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HB2 )) 2.700 0.900 0.900 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.37560E-02 ppm1 4.308 ppm2 2.833 CV 1 ASSI { 1545} (( segid " " and resid 180 and name HA )) (( segid " " and resid 182 and name HB )) 3.600 3.600 2.400 peak 1545 spectrum 1 weight 0.11000E+01 volume 0.22252E-02 ppm1 4.330 ppm2 4.491 CV 1 ASSI { 1546} (( segid " " and resid 180 and name HA )) (( segid " " and resid 183 and name HB )) 4.300 2.300 1.700 peak 1546 spectrum 1 weight 0.11000E+01 volume 0.10750E-02 ppm1 4.307 ppm2 2.297 CV 1 ASSI { 1547} (( segid " " and resid 180 and name HA )) (( segid " " and resid 184 and name HG2 )) 3.400 1.500 1.500 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.98215E-03 ppm1 4.332 ppm2 1.450 CV 1 ASSI { 1549} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HA )) 2.700 0.900 0.900 peak 1549 spectrum 1 weight 0.11000E+01 volume 0.30806E-02 ppm1 2.865 ppm2 4.306 CV 1 ASSI { 1550} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HB2 )) 1.700 0.400 0.500 peak 1550 spectrum 1 weight 0.11000E+01 volume 0.21150E-01 ppm1 2.862 ppm2 2.825 CV 1 ASSI { 1552} (( segid " " and resid 180 and name HB1 )) ( segid " " and resid 183 and name HG2%) 4.500 2.500 1.500 peak 1552 spectrum 1 weight 0.11000E+01 volume 0.76634E-03 ppm1 2.864 ppm2 0.946 CV 1 ASSI { 1556} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 181 and name HG12)) 3.600 1.600 1.600 peak 1556 spectrum 1 weight 0.11000E+01 volume 0.79725E-03 ppm1 2.791 ppm2 0.973 CV 1 ASSI { 1557} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB )) 2.900 1.100 1.100 peak 1557 spectrum 1 weight 0.11000E+01 volume 0.20551E-02 ppm1 3.766 ppm2 1.617 CV 1 ASSI { 1560} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HG12)) 3.500 1.500 1.500 peak 1560 spectrum 1 weight 0.11000E+01 volume 0.11540E-02 ppm1 3.764 ppm2 0.999 CV 1 ASSI { 1562} (( segid " " and resid 181 and name HA )) (( segid " " and resid 182 and name HN )) 3.700 1.700 1.700 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.59809E-03 ppm1 3.770 ppm2 8.113 CV 1 ASSI { 1563} (( segid " " and resid 181 and name HA )) (( segid " " and resid 184 and name HB1 )) 3.900 1.900 1.900 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.16001E-02 ppm1 3.760 ppm2 1.925 CV 1 ASSI { 1564} (( segid " " and resid 181 and name HA )) (( segid " " and resid 184 and name HB2 )) 3.000 1.100 1.100 peak 1564 spectrum 1 weight 0.11000E+01 volume 0.15554E-02 ppm1 3.762 ppm2 1.977 CV 1 ASSI { 1565} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name HB1 )) 4.800 2.900 1.200 peak 1565 spectrum 1 weight 0.11000E+01 volume 0.56301E-03 ppm1 3.757 ppm2 2.154 CV 1 OR { 1565} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name HB2 )) ASSI { 1566} (( segid " " and resid 181 and name HB )) (( segid " " and resid 161 and name HB1 )) 4.400 2.400 1.600 peak 1566 spectrum 1 weight 0.11000E+01 volume 0.52611E-03 ppm1 1.628 ppm2 2.596 CV 1 ASSI { 1569} (( segid " " and resid 181 and name HB )) (( segid " " and resid 178 and name HN )) 4.500 2.500 1.500 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.88221E-03 ppm1 1.617 ppm2 8.135 CV 1 ASSI { 1570} (( segid " " and resid 181 and name HB )) (( segid " " and resid 180 and name HB2 )) 6.000 5.200 0.000 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.84596E-04 ppm1 1.653 ppm2 2.800 CV 1 ASSI { 1573} (( segid " " and resid 181 and name HB )) (( segid " " and resid 181 and name HG11)) 2.800 1.000 1.000 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.14948E-02 ppm1 1.617 ppm2 0.844 CV 1 ASSI { 1574} (( segid " " and resid 181 and name HB )) (( segid " " and resid 181 and name HG12)) 2.900 1.000 1.000 peak 1574 spectrum 1 weight 0.11000E+01 volume 0.14259E-02 ppm1 1.620 ppm2 1.002 CV 1 ASSI { 1578} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 124 and name HD2%) 3.300 3.300 2.700 peak 1578 spectrum 1 weight 0.11000E+01 volume 0.49772E-02 ppm1 0.406 ppm2 0.558 CV 1 ASSI { 1581} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 177 and name HA )) 4.000 2.000 2.000 peak 1581 spectrum 1 weight 0.11000E+01 volume 0.52590E-03 ppm1 0.416 ppm2 4.591 CV 1 ASSI { 1582} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 178 and name HN )) 4.100 2.100 1.900 peak 1582 spectrum 1 weight 0.11000E+01 volume 0.75406E-03 ppm1 0.417 ppm2 8.147 CV 1 ASSI { 1583} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 180 and name HB1 )) 3.400 1.500 1.500 peak 1583 spectrum 1 weight 0.11000E+01 volume 0.11963E-02 ppm1 0.414 ppm2 2.857 CV 1 ASSI { 1584} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HA )) 2.700 0.900 0.900 peak 1584 spectrum 1 weight 0.11000E+01 volume 0.47442E-02 ppm1 0.413 ppm2 3.763 CV 1 ASSI { 1585} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HB )) 3.200 1.300 1.300 peak 1585 spectrum 1 weight 0.11000E+01 volume 0.37599E-02 ppm1 0.414 ppm2 1.617 CV 1 ASSI { 1586} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HG11)) 2.400 0.700 0.700 peak 1586 spectrum 1 weight 0.11000E+01 volume 0.53345E-02 ppm1 0.405 ppm2 0.849 CV 1 ASSI { 1587} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 181 and name HG12)) 2.300 0.700 0.700 peak 1587 spectrum 1 weight 0.11000E+01 volume 0.60478E-02 ppm1 0.411 ppm2 1.003 CV 1 ASSI { 1588} ( segid " " and resid 181 and name HD1%) ( segid " " and resid 181 and name HG2%) 2.300 0.700 0.700 peak 1588 spectrum 1 weight 0.11000E+01 volume 0.89108E-02 ppm1 0.414 ppm2 0.271 CV 1 ASSI { 1589} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HB1 )) 4.200 4.200 1.800 peak 1589 spectrum 1 weight 0.11000E+01 volume 0.13352E-02 ppm1 0.411 ppm2 1.920 CV 1 ASSI { 1590} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HB2 )) 4.700 4.700 1.300 peak 1590 spectrum 1 weight 0.11000E+01 volume 0.42970E-03 ppm1 0.391 ppm2 1.926 CV 1 ASSI { 1591} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HD1 )) 3.500 3.500 2.500 peak 1591 spectrum 1 weight 0.11000E+01 volume 0.30170E-02 ppm1 0.419 ppm2 1.655 CV 1 OR { 1591} ( segid " " and resid 181 and name HD1%) (( segid " " and resid 184 and name HD2 )) ASSI { 1592} (( segid " " and resid 181 and name HG11)) (( segid " " and resid 181 and name HA )) 4.200 2.200 1.800 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.82717E-03 ppm1 0.852 ppm2 3.759 CV 1 ASSI { 1595} (( segid " " and resid 181 and name HG11)) (( segid " " and resid 181 and name HG12)) 2.100 0.600 0.600 peak 1595 spectrum 1 weight 0.11000E+01 volume 0.25190E-02 ppm1 0.868 ppm2 1.027 CV 1 ASSI { 1604} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 1604 spectrum 1 weight 0.11000E+01 volume 0.59361E-03 ppm1 0.250 ppm2 4.359 CV 1 ASSI { 1605} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 127 and name HB1 )) 3.900 1.900 1.900 peak 1605 spectrum 1 weight 0.11000E+01 volume 0.14339E-02 ppm1 0.236 ppm2 2.869 CV 1 ASSI { 1607} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 161 and name HB1 )) 2.900 1.000 1.000 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.40920E-02 ppm1 0.247 ppm2 2.608 CV 1 ASSI { 1611} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 178 and name HN )) 4.200 4.200 1.800 peak 1611 spectrum 1 weight 0.11000E+01 volume 0.15836E-02 ppm1 0.252 ppm2 8.133 CV 1 ASSI { 1612} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HA )) 2.600 0.900 0.900 peak 1612 spectrum 1 weight 0.11000E+01 volume 0.33995E-02 ppm1 0.246 ppm2 3.763 CV 1 ASSI { 1613} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HB )) 2.400 0.700 0.700 peak 1613 spectrum 1 weight 0.11000E+01 volume 0.55842E-02 ppm1 0.246 ppm2 1.616 CV 1 ASSI { 1615} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HG11)) 2.700 0.900 0.900 peak 1615 spectrum 1 weight 0.11000E+01 volume 0.30114E-02 ppm1 0.232 ppm2 0.870 CV 1 ASSI { 1616} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 181 and name HG12)) 3.300 1.400 1.400 peak 1616 spectrum 1 weight 0.11000E+01 volume 0.22968E-02 ppm1 0.257 ppm2 0.971 CV 1 ASSI { 1617} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.15619E-02 ppm1 0.249 ppm2 4.090 CV 1 ASSI { 1618} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HB2 )) 3.700 1.700 1.700 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.93067E-03 ppm1 0.235 ppm2 1.958 CV 1 ASSI { 1619} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HE1 )) 4.000 2.000 2.000 peak 1619 spectrum 1 weight 0.11000E+01 volume 0.15986E-02 ppm1 0.249 ppm2 2.897 CV 1 OR { 1619} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 184 and name HE2 )) ASSI { 1620} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HB2 )) 3.900 1.900 1.900 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.13725E-02 ppm1 0.248 ppm2 2.129 CV 1 OR { 1620} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HB1 )) ASSI { 1621} ( segid " " and resid 181 and name HG2%) (( segid " " and resid 185 and name HG2 )) 3.300 1.400 1.400 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.11676E-02 ppm1 0.245 ppm2 2.505 CV 1 ASSI { 1622} (( segid " " and resid 182 and name HA )) ( segid " " and resid 209 and name HG2%) 5.000 3.200 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.50002E-03 ppm1 4.076 ppm2 1.233 CV 1 ASSI { 1623} (( segid " " and resid 182 and name HA )) ( segid " " and resid 161 and name HD% ) 2.900 1.100 1.100 peak 1623 spectrum 1 weight 0.11000E+01 volume 0.10566E-02 ppm1 4.106 ppm2 6.928 CV 1 ASSI { 1624} (( segid " " and resid 182 and name HA )) (( segid " " and resid 179 and name HA )) 4.500 2.600 1.500 peak 1624 spectrum 1 weight 0.11000E+01 volume 0.45294E-03 ppm1 4.103 ppm2 3.676 CV 1 ASSI { 1625} (( segid " " and resid 182 and name HA )) (( segid " " and resid 179 and name HB )) 5.100 5.100 0.900 peak 1625 spectrum 1 weight 0.11000E+01 volume 0.47678E-03 ppm1 4.083 ppm2 2.091 CV 1 ASSI { 1626} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HB )) 3.100 1.200 1.200 peak 1626 spectrum 1 weight 0.11000E+01 volume 0.17555E-02 ppm1 4.064 ppm2 1.624 CV 1 ASSI { 1627} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HG11)) 3.300 3.300 2.700 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.49014E-02 ppm1 4.063 ppm2 0.887 CV 1 ASSI { 1628} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HB )) 2.700 0.900 0.900 peak 1628 spectrum 1 weight 0.11000E+01 volume 0.18909E-02 ppm1 4.100 ppm2 4.508 CV 1 ASSI { 1630} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HN )) 3.100 1.200 1.200 peak 1630 spectrum 1 weight 0.11000E+01 volume 0.78378E-03 ppm1 4.109 ppm2 8.119 CV 1 ASSI { 1631} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HB1 )) 5.100 5.100 0.900 peak 1631 spectrum 1 weight 0.11000E+01 volume 0.70295E-03 ppm1 4.104 ppm2 1.946 CV 1 ASSI { 1632} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name HB2 )) 4.600 2.600 1.400 peak 1632 spectrum 1 weight 0.11000E+01 volume 0.35805E-03 ppm1 4.056 ppm2 1.970 CV 1 ASSI { 1633} (( segid " " and resid 182 and name HA )) (( segid " " and resid 186 and name HD2 )) 3.600 1.600 1.600 peak 1633 spectrum 1 weight 0.11000E+01 volume 0.73555E-03 ppm1 4.100 ppm2 6.769 CV 1 ASSI { 1634} (( segid " " and resid 182 and name HB )) ( segid " " and resid 161 and name HD% ) 4.200 2.200 1.800 peak 1634 spectrum 1 weight 0.11000E+01 volume 0.56304E-03 ppm1 4.493 ppm2 6.915 CV 1 ASSI { 1638} (( segid " " and resid 182 and name HB )) ( segid " " and resid 209 and name HG1%) 3.300 1.400 1.400 peak 1638 spectrum 1 weight 0.11000E+01 volume 0.75275E-03 ppm1 4.508 ppm2 0.950 CV 1 ASSI { 1640} (( segid " " and resid 182 and name HB )) (( segid " " and resid 210 and name HN )) 4.600 4.600 1.400 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.73609E-03 ppm1 4.524 ppm2 8.155 CV 1 ASSI { 1641} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 160 and name HA )) 1.600 0.300 0.600 peak 1641 spectrum 1 weight 0.11000E+01 volume 0.33922E-02 ppm1 1.482 ppm2 4.931 CV 1 ASSI { 1642} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 160 and name HB )) 3.500 1.600 1.600 peak 1642 spectrum 1 weight 0.11000E+01 volume 0.15175E-02 ppm1 1.481 ppm2 2.608 CV 1 ASSI { 1643} (( segid " " and resid 182 and name HG1 )) ( segid " " and resid 160 and name HG1%) 2.400 0.700 0.700 peak 1643 spectrum 1 weight 0.11000E+01 volume 0.62958E-02 ppm1 1.480 ppm2 0.938 CV 1 ASSI { 1645} (( segid " " and resid 182 and name HG1 )) ( segid " " and resid 161 and name HD% ) 2.700 0.900 0.900 peak 1645 spectrum 1 weight 0.11000E+01 volume 0.14557E-02 ppm1 1.480 ppm2 6.913 CV 1 ASSI { 1647} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 179 and name HA )) 3.600 1.600 1.600 peak 1647 spectrum 1 weight 0.11000E+01 volume 0.10311E-02 ppm1 1.482 ppm2 3.651 CV 1 ASSI { 1648} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 182 and name HA )) 2.700 0.900 0.900 peak 1648 spectrum 1 weight 0.11000E+01 volume 0.20866E-02 ppm1 1.482 ppm2 4.095 CV 1 ASSI { 1649} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 182 and name HB )) 2.300 0.700 0.700 peak 1649 spectrum 1 weight 0.11000E+01 volume 0.32919E-02 ppm1 1.481 ppm2 4.510 CV 1 ASSI { 1650} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 185 and name HB1 )) 4.000 2.000 2.000 peak 1650 spectrum 1 weight 0.11000E+01 volume 0.10314E-02 ppm1 1.484 ppm2 2.147 CV 1 OR { 1650} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 185 and name HB2 )) ASSI { 1651} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 185 and name HG1 )) 3.800 1.800 1.800 peak 1651 spectrum 1 weight 0.11000E+01 volume 0.86880E-03 ppm1 1.483 ppm2 2.376 CV 1 ASSI { 1652} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 186 and name HB1 )) 4.700 2.800 1.300 peak 1652 spectrum 1 weight 0.11000E+01 volume 0.73332E-03 ppm1 1.483 ppm2 3.158 CV 1 ASSI { 1653} (( segid " " and resid 182 and name HG1 )) (( segid " " and resid 209 and name HB )) 4.400 2.400 1.600 peak 1653 spectrum 1 weight 0.11000E+01 volume 0.98983E-03 ppm1 1.483 ppm2 2.179 CV 1 ASSI { 1654} (( segid " " and resid 182 and name HG1 )) ( segid " " and resid 209 and name HG2%) 3.100 1.200 1.200 peak 1654 spectrum 1 weight 0.11000E+01 volume 0.40625E-02 ppm1 1.481 ppm2 1.236 CV 1 ASSI { 1655} (( segid " " and resid 183 and name HA )) (( segid " " and resid 182 and name HG1 )) 4.200 2.200 1.800 peak 1655 spectrum 1 weight 0.11000E+01 volume 0.12291E-02 ppm1 3.607 ppm2 1.490 CV 1 ASSI { 1656} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB )) 2.900 1.100 1.100 peak 1656 spectrum 1 weight 0.11000E+01 volume 0.12960E-02 ppm1 3.609 ppm2 2.299 CV 1 ASSI { 1658} (( segid " " and resid 183 and name HA )) ( segid " " and resid 183 and name HG2%) 3.000 1.100 1.100 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.44686E-02 ppm1 3.612 ppm2 0.990 CV 1 ASSI { 1659} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB1 )) 3.800 1.800 1.800 peak 1659 spectrum 1 weight 0.11000E+01 volume 0.10048E-02 ppm1 3.615 ppm2 3.149 CV 1 ASSI { 1660} (( segid " " and resid 183 and name HA )) (( segid " " and resid 186 and name HB2 )) 3.400 1.400 1.400 peak 1660 spectrum 1 weight 0.11000E+01 volume 0.58959E-03 ppm1 3.613 ppm2 3.372 CV 1 ASSI { 1661} (( segid " " and resid 183 and name HA )) ( segid " " and resid 209 and name HG2%) 4.100 2.100 1.900 peak 1661 spectrum 1 weight 0.11000E+01 volume 0.68511E-03 ppm1 3.618 ppm2 1.211 CV 1 ASSI { 1665} (( segid " " and resid 183 and name HB )) ( segid " " and resid 183 and name HG2%) 2.500 0.800 0.800 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.38818E-02 ppm1 2.300 ppm2 0.981 CV 1 ASSI { 1666} (( segid " " and resid 183 and name HB )) (( segid " " and resid 184 and name HG1 )) 5.600 5.600 0.400 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.45687E-03 ppm1 2.284 ppm2 1.505 CV 1 ASSI { 1667} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.500 3.500 2.500 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.66351E-02 ppm1 1.029 ppm2 0.762 CV 1 ASSI { 1668} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 179 and name HB )) 2.100 0.500 0.500 peak 1668 spectrum 1 weight 0.11000E+01 volume 0.81578E-02 ppm1 1.032 ppm2 2.112 CV 1 ASSI { 1669} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 180 and name HA )) 3.500 1.500 1.500 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.10761E-02 ppm1 1.024 ppm2 4.313 CV 1 ASSI { 1670} ( segid " " and resid 183 and name HG1%) ( segid " " and resid 181 and name HD1%) 3.700 3.700 2.300 peak 1670 spectrum 1 weight 0.11000E+01 volume 0.31134E-02 ppm1 1.033 ppm2 0.414 CV 1 ASSI { 1671} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 182 and name HB )) 3.800 1.800 1.800 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.82348E-03 ppm1 1.045 ppm2 4.515 CV 1 ASSI { 1672} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 183 and name HA )) 2.400 0.700 0.700 peak 1672 spectrum 1 weight 0.11000E+01 volume 0.84006E-02 ppm1 1.031 ppm2 3.599 CV 1 ASSI { 1673} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 183 and name HB )) 2.200 0.600 0.600 peak 1673 spectrum 1 weight 0.11000E+01 volume 0.58031E-02 ppm1 1.039 ppm2 2.299 CV 1 ASSI { 1674} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 184 and name HD1 )) 4.100 2.100 1.900 peak 1674 spectrum 1 weight 0.11000E+01 volume 0.10463E-02 ppm1 1.034 ppm2 1.655 CV 1 OR { 1674} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 184 and name HD2 )) ASSI { 1675} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 185 and name HG2 )) 4.400 4.400 1.600 peak 1675 spectrum 1 weight 0.11000E+01 volume 0.13154E-02 ppm1 1.039 ppm2 2.556 CV 1 ASSI { 1676} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 186 and name HB1 )) 4.200 2.200 1.800 peak 1676 spectrum 1 weight 0.11000E+01 volume 0.10474E-02 ppm1 1.028 ppm2 3.148 CV 1 ASSI { 1677} ( segid " " and resid 183 and name HG1%) (( segid " " and resid 187 and name HB )) 4.100 2.100 1.900 peak 1677 spectrum 1 weight 0.11000E+01 volume 0.80652E-03 ppm1 1.027 ppm2 4.271 CV 1 ASSI { 1681} (( segid " " and resid 184 and name HA )) ( segid " " and resid 183 and name HG2%) 3.800 3.800 2.200 peak 1681 spectrum 1 weight 0.11000E+01 volume 0.10385E-02 ppm1 4.046 ppm2 0.974 CV 1 ASSI { 1682} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB1 )) 2.200 0.600 0.600 peak 1682 spectrum 1 weight 0.11000E+01 volume 0.52889E-02 ppm1 4.051 ppm2 1.935 CV 1 ASSI { 1683} (( segid " " and resid 184 and name HA )) (( segid " " and resid 184 and name HB2 )) 2.600 2.600 3.400 peak 1683 spectrum 1 weight 0.11000E+01 volume 0.52889E-02 ppm1 4.053 ppm2 1.955 CV 1 ASSI { 1686} (( segid " " and resid 184 and name HA )) (( segid " " and resid 187 and name HB )) 3.400 3.400 2.600 peak 1686 spectrum 1 weight 0.11000E+01 volume 0.14262E-02 ppm1 4.061 ppm2 4.261 CV 1 ASSI { 1687} (( segid " " and resid 184 and name HA )) ( segid " " and resid 187 and name HG2%) 3.700 3.700 2.300 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.65500E-03 ppm1 4.062 ppm2 1.310 CV 1 ASSI { 1690} (( segid " " and resid 184 and name HB2 )) ( segid " " and resid 183 and name HG1%) 4.700 2.800 1.300 peak 1690 spectrum 1 weight 0.11000E+01 volume 0.73651E-03 ppm1 1.965 ppm2 1.060 CV 1 ASSI { 1691} (( segid " " and resid 184 and name HB2 )) ( segid " " and resid 183 and name HG2%) 4.100 2.100 1.900 peak 1691 spectrum 1 weight 0.11000E+01 volume 0.14714E-02 ppm1 1.965 ppm2 0.970 CV 1 ASSI { 1692} (( segid " " and resid 184 and name HB2 )) ( segid " " and resid 187 and name HG2%) 4.500 2.500 1.500 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.62745E-03 ppm1 1.965 ppm2 1.311 CV 1 ASSI { 1693} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 181 and name HA )) 4.200 2.200 1.800 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.11117E-02 ppm1 1.653 ppm2 3.805 CV 1 OR { 1693} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 181 and name HA )) ASSI { 1695} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 181 and name HG11)) 2.200 2.200 3.800 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.17022E-02 ppm1 1.655 ppm2 0.871 CV 1 OR { 1695} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 181 and name HG11)) ASSI { 1696} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 183 and name HB )) 5.200 5.200 0.800 peak 1696 spectrum 1 weight 0.11000E+01 volume 0.33089E-03 ppm1 1.656 ppm2 2.254 CV 1 OR { 1696} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 183 and name HB )) ASSI { 1697} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HA )) 2.600 0.800 0.800 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.22044E-02 ppm1 1.670 ppm2 4.053 CV 1 OR { 1697} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HA )) ASSI { 1698} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HB2 )) 2.800 1.000 1.000 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.58833E-02 ppm1 1.660 ppm2 1.967 CV 1 OR { 1698} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HB2 )) ASSI { 1699} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HE2 )) 2.200 0.600 0.600 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.81153E-02 ppm1 1.647 ppm2 2.913 CV 1 OR { 1699} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 184 and name HE1 )) OR { 1699} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HE2 )) OR { 1699} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 184 and name HE1 )) ASSI { 1700} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 185 and name HG1 )) 6.000 6.000 0.000 peak 1700 spectrum 1 weight 0.11000E+01 volume 0.44203E-03 ppm1 1.656 ppm2 2.344 CV 1 OR { 1700} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 185 and name HG1 )) ASSI { 1701} (( segid " " and resid 184 and name HD2 )) ( segid " " and resid 187 and name HG2%) 3.300 1.400 1.400 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.22582E-02 ppm1 1.660 ppm2 1.267 CV 1 OR { 1701} (( segid " " and resid 184 and name HD1 )) ( segid " " and resid 187 and name HG2%) ASSI { 1702} (( segid " " and resid 184 and name HD2 )) (( segid " " and resid 188 and name HA )) 4.000 2.000 2.000 peak 1702 spectrum 1 weight 0.11000E+01 volume 0.22534E-02 ppm1 1.642 ppm2 4.060 CV 1 OR { 1702} (( segid " " and resid 184 and name HD1 )) (( segid " " and resid 188 and name HA )) ASSI { 1703} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 181 and name HA )) 4.100 2.100 1.900 peak 1703 spectrum 1 weight 0.11000E+01 volume 0.89384E-03 ppm1 2.914 ppm2 3.789 CV 1 OR { 1703} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 181 and name HA )) ASSI { 1704} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 181 and name HD1%) 2.500 2.500 3.500 peak 1704 spectrum 1 weight 0.11000E+01 volume 0.80042E-03 ppm1 2.916 ppm2 0.427 CV 1 OR { 1704} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 181 and name HD1%) ASSI { 1705} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 181 and name HG11)) 2.400 2.400 3.600 peak 1705 spectrum 1 weight 0.11000E+01 volume 0.95974E-03 ppm1 2.915 ppm2 0.890 CV 1 OR { 1705} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 181 and name HG11)) ASSI { 1706} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 183 and name HA )) 4.800 2.900 1.200 peak 1706 spectrum 1 weight 0.11000E+01 volume 0.59560E-03 ppm1 2.919 ppm2 3.606 CV 1 OR { 1706} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 183 and name HA )) ASSI { 1707} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 183 and name HG1%) 3.700 1.700 1.700 peak 1707 spectrum 1 weight 0.11000E+01 volume 0.19556E-02 ppm1 2.918 ppm2 1.042 CV 1 OR { 1707} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 183 and name HG1%) ASSI { 1708} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HA )) 4.300 2.300 1.700 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.10333E-02 ppm1 2.947 ppm2 4.089 CV 1 OR { 1708} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HA )) ASSI { 1709} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HB1 )) 4.100 2.100 1.900 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.15497E-02 ppm1 2.941 ppm2 1.943 CV 1 OR { 1709} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HB1 )) ASSI { 1710} (( segid " " and resid 184 and name HE1 )) (( segid " " and resid 184 and name HB2 )) 4.000 2.000 2.000 peak 1710 spectrum 1 weight 0.11000E+01 volume 0.17212E-02 ppm1 2.933 ppm2 1.968 CV 1 OR { 1710} (( segid " " and resid 184 and name HE2 )) (( segid " " and resid 184 and name HB2 )) ASSI { 1712} (( segid " " and resid 184 and name HE2 )) ( segid " " and resid 187 and name HG2%) 3.600 1.700 1.700 peak 1712 spectrum 1 weight 0.11000E+01 volume 0.18022E-02 ppm1 2.954 ppm2 1.320 CV 1 OR { 1712} (( segid " " and resid 184 and name HE1 )) ( segid " " and resid 187 and name HG2%) ASSI { 1713} (( segid " " and resid 184 and name HG1 )) ( segid " " and resid 183 and name HG1%) 4.800 2.900 1.200 peak 1713 spectrum 1 weight 0.11000E+01 volume 0.92334E-03 ppm1 1.499 ppm2 1.055 CV 1 ASSI { 1714} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HA )) 3.700 1.700 1.700 peak 1714 spectrum 1 weight 0.11000E+01 volume 0.12471E-02 ppm1 1.492 ppm2 4.052 CV 1 ASSI { 1715} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HB1 )) 2.500 0.800 0.800 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.27018E-02 ppm1 1.509 ppm2 1.949 CV 1 ASSI { 1716} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HD1 )) 2.100 0.600 0.600 peak 1716 spectrum 1 weight 0.11000E+01 volume 0.12583E-01 ppm1 1.509 ppm2 1.662 CV 1 OR { 1716} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HD2 )) ASSI { 1717} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HE1 )) 3.000 1.100 1.100 peak 1717 spectrum 1 weight 0.11000E+01 volume 0.19106E-02 ppm1 1.513 ppm2 2.931 CV 1 OR { 1717} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HE2 )) ASSI { 1718} (( segid " " and resid 184 and name HG1 )) (( segid " " and resid 184 and name HG2 )) 1.400 0.300 0.800 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.31832E-01 ppm1 1.509 ppm2 1.428 CV 1 ASSI { 1719} (( segid " " and resid 184 and name HG2 )) ( segid " " and resid 183 and name HG1%) 4.000 2.000 2.000 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.99962E-03 ppm1 1.426 ppm2 1.051 CV 1 ASSI { 1720} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HA )) 3.300 1.400 1.400 peak 1720 spectrum 1 weight 0.11000E+01 volume 0.22896E-02 ppm1 1.411 ppm2 4.063 CV 1 ASSI { 1721} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HB2 )) 2.200 0.600 0.600 peak 1721 spectrum 1 weight 0.11000E+01 volume 0.38308E-02 ppm1 1.416 ppm2 1.958 CV 1 ASSI { 1722} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HD2 )) 1.900 0.500 0.500 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.15991E-01 ppm1 1.408 ppm2 1.662 CV 1 OR { 1722} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HD1 )) ASSI { 1723} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HE1 )) 2.900 1.000 1.000 peak 1723 spectrum 1 weight 0.11000E+01 volume 0.21788E-02 ppm1 1.412 ppm2 2.912 CV 1 OR { 1723} (( segid " " and resid 184 and name HG2 )) (( segid " " and resid 184 and name HE2 )) ASSI { 1724} (( segid " " and resid 185 and name HB2 )) ( segid " " and resid 188 and name HG2%) 4.500 2.500 1.500 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.72453E-03 ppm1 2.167 ppm2 0.771 CV 1 OR { 1724} (( segid " " and resid 185 and name HB1 )) ( segid " " and resid 188 and name HG2%) ASSI { 1725} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 181 and name HB )) 4.200 2.200 1.800 peak 1725 spectrum 1 weight 0.11000E+01 volume 0.81057E-03 ppm1 2.165 ppm2 1.623 CV 1 OR { 1725} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 181 and name HB )) ASSI { 1726} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 183 and name HA )) 4.600 2.700 1.400 peak 1726 spectrum 1 weight 0.11000E+01 volume 0.39362E-03 ppm1 2.174 ppm2 3.637 CV 1 OR { 1726} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 183 and name HA )) ASSI { 1727} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 184 and name HG1 )) 5.300 3.500 0.700 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.10318E-02 ppm1 2.170 ppm2 1.500 CV 1 OR { 1727} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 184 and name HG1 )) ASSI { 1728} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 185 and name HA )) 2.800 1.000 1.000 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.30498E-02 ppm1 2.144 ppm2 3.986 CV 1 OR { 1728} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 185 and name HA )) ASSI { 1729} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 185 and name HG2 )) 2.000 0.500 0.500 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.18233E-01 ppm1 2.167 ppm2 2.509 CV 1 OR { 1729} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 185 and name HG2 )) ASSI { 1730} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HA )) 3.900 1.900 1.900 peak 1730 spectrum 1 weight 0.11000E+01 volume 0.50602E-03 ppm1 2.149 ppm2 4.602 CV 1 OR { 1730} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HA )) ASSI { 1731} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HB1 )) 4.900 3.000 1.100 peak 1731 spectrum 1 weight 0.11000E+01 volume 0.50646E-03 ppm1 2.163 ppm2 3.153 CV 1 OR { 1731} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HB1 )) ASSI { 1732} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 186 and name HE1 )) 4.500 2.600 1.500 peak 1732 spectrum 1 weight 0.11000E+01 volume 0.46606E-03 ppm1 2.158 ppm2 7.819 CV 1 OR { 1732} (( segid " " and resid 185 and name HB2 )) (( segid " " and resid 186 and name HE1 )) ASSI { 1736} (( segid " " and resid 186 and name HA )) (( segid " " and resid 187 and name HB )) 3.500 3.500 2.500 peak 1736 spectrum 1 weight 0.11000E+01 volume 0.16336E-02 ppm1 4.587 ppm2 4.256 CV 1 ASSI { 1738} (( segid " " and resid 186 and name HA )) (( segid " " and resid 189 and name HB )) 4.000 2.000 2.000 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.12997E-02 ppm1 4.588 ppm2 4.293 CV 1 ASSI { 1739} (( segid " " and resid 186 and name HA )) ( segid " " and resid 189 and name HG2%) 4.300 2.300 1.700 peak 1739 spectrum 1 weight 0.11000E+01 volume 0.10626E-02 ppm1 4.588 ppm2 1.303 CV 1 OR { 1739} (( segid " " and resid 186 and name HA )) (( segid " " and resid 189 and name HG1 )) ASSI { 1740} (( segid " " and resid 186 and name HA )) (( segid " " and resid 190 and name HB )) 2.900 2.900 3.100 peak 1740 spectrum 1 weight 0.11000E+01 volume 0.93180E-03 ppm1 4.588 ppm2 4.428 CV 1 ASSI { 1742} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HA )) 3.300 1.400 1.400 peak 1742 spectrum 1 weight 0.11000E+01 volume 0.67131E-03 ppm1 3.142 ppm2 4.576 CV 1 ASSI { 1743} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 186 and name HB2 )) 2.500 0.800 0.800 peak 1743 spectrum 1 weight 0.11000E+01 volume 0.15300E-02 ppm1 3.143 ppm2 3.385 CV 1 ASSI { 1744} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 187 and name HG2%) 4.600 2.600 1.400 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.29594E-03 ppm1 3.141 ppm2 1.281 CV 1 OR { 1744} (( segid " " and resid 186 and name HB1 )) (( segid " " and resid 187 and name HG1 )) ASSI { 1745} (( segid " " and resid 186 and name HB1 )) ( segid " " and resid 205 and name HE% ) 4.600 2.700 1.400 peak 1745 spectrum 1 weight 0.11000E+01 volume 0.31555E-03 ppm1 3.153 ppm2 1.505 CV 1 ASSI { 1746} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 186 and name HA )) 3.600 1.600 1.600 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.66615E-03 ppm1 3.392 ppm2 4.576 CV 1 ASSI { 1748} (( segid " " and resid 187 and name HA )) ( segid " " and resid 187 and name HG2%) 2.800 1.000 1.000 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.51993E-02 ppm1 4.184 ppm2 1.307 CV 1 OR { 1748} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HG1 )) ASSI { 1749} (( segid " " and resid 187 and name HA )) (( segid " " and resid 188 and name HA )) 4.700 2.800 1.300 peak 1749 spectrum 1 weight 0.11000E+01 volume 0.21241E-03 ppm1 4.182 ppm2 4.042 CV 1 ASSI { 1750} (( segid " " and resid 187 and name HA )) (( segid " " and resid 191 and name HG1 )) 2.900 2.900 3.100 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.25352E-02 ppm1 4.188 ppm2 1.366 CV 1 OR { 1750} (( segid " " and resid 187 and name HA )) ( segid " " and resid 191 and name HG2%) ASSI { 1753} (( segid " " and resid 187 and name HB )) ( segid " " and resid 190 and name HG2%) 4.200 2.200 1.800 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.60400E-03 ppm1 4.261 ppm2 0.908 CV 1 ASSI { 1754} (( segid " " and resid 187 and name HB )) ( segid " " and resid 191 and name HG2%) 2.900 1.000 1.000 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.52885E-02 ppm1 4.251 ppm2 1.336 CV 1 OR { 1754} (( segid " " and resid 187 and name HB )) (( segid " " and resid 191 and name HG1 )) ASSI { 1755} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 183 and name HG1%) 3.100 1.200 1.200 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.47979E-02 ppm1 1.300 ppm2 1.023 CV 1 OR { 1755} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 183 and name HG1%) ASSI { 1758} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 186 and name HA )) 3.900 1.900 1.900 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.12142E-02 ppm1 1.303 ppm2 4.576 CV 1 OR { 1758} (( segid " " and resid 187 and name HG1 )) (( segid " " and resid 186 and name HA )) ASSI { 1759} (( segid " " and resid 187 and name HG1 )) (( segid " " and resid 187 and name HB )) 2.000 0.500 0.500 peak 1759 spectrum 1 weight 0.11000E+01 volume 0.17766E-01 ppm1 1.301 ppm2 4.278 CV 1 OR { 1759} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 187 and name HB )) ASSI { 1760} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 188 and name HA )) 2.500 2.500 3.500 peak 1760 spectrum 1 weight 0.11000E+01 volume 0.99356E-02 ppm1 1.299 ppm2 4.096 CV 1 ASSI { 1761} ( segid " " and resid 187 and name HG2%) (( segid " " and resid 188 and name HB )) 4.700 2.800 1.300 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.64326E-03 ppm1 1.312 ppm2 2.228 CV 1 ASSI { 1762} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 190 and name HG2%) 3.000 3.000 3.000 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.50787E-02 ppm1 1.300 ppm2 0.937 CV 1 OR { 1762} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 190 and name HG2%) ASSI { 1763} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 202 and name HD1%) 3.800 1.800 1.800 peak 1763 spectrum 1 weight 0.11000E+01 volume 0.73811E-03 ppm1 1.297 ppm2 0.728 CV 1 OR { 1763} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 202 and name HD1%) ASSI { 1764} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 204 and name HD1%) 4.100 2.100 1.900 peak 1764 spectrum 1 weight 0.11000E+01 volume 0.88904E-03 ppm1 1.299 ppm2 0.619 CV 1 OR { 1764} ( segid " " and resid 187 and name HG2%) ( segid " " and resid 204 and name HD1%) ASSI { 1766} (( segid " " and resid 188 and name HA )) ( segid " " and resid 120 and name HG2%) 3.400 3.400 2.600 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.35475E-02 ppm1 4.051 ppm2 0.884 CV 1 ASSI { 1770} (( segid " " and resid 188 and name HA )) ( segid " " and resid 192 and name HG2%) 3.600 1.600 1.600 peak 1770 spectrum 1 weight 0.11000E+01 volume 0.95545E-03 ppm1 4.026 ppm2 1.292 CV 1 OR { 1770} (( segid " " and resid 188 and name HA )) (( segid " " and resid 192 and name HG1 )) ASSI { 1771} (( segid " " and resid 188 and name HB )) (( segid " " and resid 188 and name HA )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.11000E+01 volume 0.39076E-02 ppm1 2.225 ppm2 4.033 CV 1 ASSI { 1773} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HB1 )) 3.400 1.500 1.500 peak 1773 spectrum 1 weight 0.11000E+01 volume 0.77028E-03 ppm1 1.224 ppm2 1.936 CV 1 ASSI { 1774} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 184 and name HE2 )) 4.100 2.100 1.900 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.79480E-03 ppm1 1.221 ppm2 2.947 CV 1 ASSI { 1776} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 186 and name HB2 )) 4.500 4.500 1.500 peak 1776 spectrum 1 weight 0.11000E+01 volume 0.61903E-03 ppm1 1.225 ppm2 3.411 CV 1 ASSI { 1777} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 188 and name HA )) 2.600 0.800 0.800 peak 1777 spectrum 1 weight 0.11000E+01 volume 0.64396E-02 ppm1 1.221 ppm2 4.055 CV 1 ASSI { 1778} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 188 and name HG2%) 2.800 1.000 1.000 peak 1778 spectrum 1 weight 0.11000E+01 volume 0.30700E-02 ppm1 1.218 ppm2 0.731 CV 1 ASSI { 1779} ( segid " " and resid 188 and name HG1%) (( segid " " and resid 190 and name HB )) 2.900 2.900 3.100 peak 1779 spectrum 1 weight 0.11000E+01 volume 0.92089E-02 ppm1 1.221 ppm2 4.444 CV 1 ASSI { 1780} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 190 and name HG2%) 3.400 3.400 2.600 peak 1780 spectrum 1 weight 0.11000E+01 volume 0.44634E-02 ppm1 1.219 ppm2 0.942 CV 1 ASSI { 1781} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 197 and name HD% ) 3.300 3.300 2.700 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.22432E-02 ppm1 1.219 ppm2 7.361 CV 1 ASSI { 1782} ( segid " " and resid 188 and name HG1%) ( segid " " and resid 197 and name HE% ) 4.000 2.000 2.000 peak 1782 spectrum 1 weight 0.11000E+01 volume 0.57896E-03 ppm1 1.221 ppm2 6.918 CV 1 ASSI { 1784} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 184 and name HG1 )) 1.600 1.600 4.400 peak 1784 spectrum 1 weight 0.11000E+01 volume 0.11915E-01 ppm1 0.752 ppm2 1.485 CV 1 ASSI { 1785} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 185 and name HE22)) 2.200 2.200 3.800 peak 1785 spectrum 1 weight 0.11000E+01 volume 0.17505E-02 ppm1 0.752 ppm2 6.802 CV 1 ASSI { 1786} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 186 and name HB1 )) 4.400 2.500 1.600 peak 1786 spectrum 1 weight 0.11000E+01 volume 0.77708E-03 ppm1 0.748 ppm2 3.137 CV 1 ASSI { 1787} ( segid " " and resid 188 and name HG2%) (( segid " " and resid 188 and name HA )) 2.800 1.000 1.000 peak 1787 spectrum 1 weight 0.11000E+01 volume 0.84014E-02 ppm1 0.751 ppm2 4.019 CV 1 ASSI { 1788} ( segid " " and resid 188 and name HG2%) ( segid " " and resid 190 and name HG2%) 3.400 3.400 2.600 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.42387E-02 ppm1 0.753 ppm2 0.899 CV 1 ASSI { 1790} (( segid " " and resid 189 and name HB )) ( segid " " and resid 190 and name HG2%) 4.100 4.100 1.900 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.17871E-02 ppm1 4.104 ppm2 0.931 CV 1 ASSI { 1791} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 193 and name HE1 )) 4.500 2.500 1.500 peak 1791 spectrum 1 weight 0.11000E+01 volume 0.54809E-03 ppm1 1.288 ppm2 2.920 CV 1 OR { 1791} ( segid " " and resid 189 and name HG2%) (( segid " " and resid 193 and name HE2 )) ASSI { 1792} (( segid " " and resid 190 and name HB )) (( segid " " and resid 188 and name HA )) 3.600 3.600 2.400 peak 1792 spectrum 1 weight 0.11000E+01 volume 0.37230E-02 ppm1 4.447 ppm2 4.064 CV 1 ASSI { 1794} (( segid " " and resid 190 and name HB )) (( segid " " and resid 193 and name HG1 )) 3.900 1.900 1.900 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.73230E-03 ppm1 4.450 ppm2 1.490 CV 1 ASSI { 1796} (( segid " " and resid 191 and name HA )) (( segid " " and resid 195 and name HA )) 3.800 3.800 2.200 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.24380E-02 ppm1 4.394 ppm2 4.293 CV 1 ASSI { 1797} (( segid " " and resid 191 and name HA )) (( segid " " and resid 195 and name HG1 )) 3.600 1.600 1.600 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.14540E-02 ppm1 4.393 ppm2 2.051 CV 1 ASSI { 1798} (( segid " " and resid 191 and name HB )) ( segid " " and resid 191 and name HG2%) 2.400 0.700 0.700 peak 1798 spectrum 1 weight 0.11000E+01 volume 0.72267E-02 ppm1 4.351 ppm2 1.323 CV 1 OR { 1798} (( segid " " and resid 191 and name HB )) (( segid " " and resid 191 and name HG1 )) ASSI { 1799} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 191 and name HA )) 2.200 0.600 0.600 peak 1799 spectrum 1 weight 0.11000E+01 volume 0.13396E-01 ppm1 1.338 ppm2 4.377 CV 1 OR { 1799} (( segid " " and resid 191 and name HG1 )) (( segid " " and resid 191 and name HA )) ASSI { 1801} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 195 and name HB2 )) 3.800 1.800 1.800 peak 1801 spectrum 1 weight 0.11000E+01 volume 0.16390E-02 ppm1 1.301 ppm2 1.617 CV 1 ASSI { 1802} ( segid " " and resid 191 and name HG2%) (( segid " " and resid 196 and name HA )) 3.900 1.900 1.900 peak 1802 spectrum 1 weight 0.11000E+01 volume 0.13496E-02 ppm1 1.336 ppm2 4.709 CV 1 ASSI { 1803} ( segid " " and resid 191 and name HG2%) ( segid " " and resid 197 and name HD% ) 3.900 1.900 1.900 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.49557E-03 ppm1 1.344 ppm2 7.352 CV 1 ASSI { 1804} (( segid " " and resid 192 and name HB )) (( segid " " and resid 194 and name HA1 )) 3.300 3.300 2.700 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.55692E-02 ppm1 4.256 ppm2 4.108 CV 1 ASSI { 1805} ( segid " " and resid 192 and name HG2%) ( segid " " and resid 190 and name HG2%) 3.200 3.200 2.800 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.50787E-02 ppm1 1.300 ppm2 0.937 CV 1 OR { 1805} (( segid " " and resid 192 and name HG1 )) ( segid " " and resid 190 and name HG2%) ASSI { 1806} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 192 and name HB )) 2.100 0.600 0.600 peak 1806 spectrum 1 weight 0.11000E+01 volume 0.17766E-01 ppm1 1.300 ppm2 4.297 CV 1 OR { 1806} (( segid " " and resid 192 and name HG1 )) (( segid " " and resid 192 and name HB )) ASSI { 1807} (( segid " " and resid 192 and name HG1 )) (( segid " " and resid 193 and name HB1 )) 3.700 1.700 1.700 peak 1807 spectrum 1 weight 0.11000E+01 volume 0.10595E-02 ppm1 1.299 ppm2 1.990 CV 1 OR { 1807} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 193 and name HB1 )) ASSI { 1808} ( segid " " and resid 192 and name HG2%) (( segid " " and resid 197 and name HB2 )) 4.300 2.300 1.700 peak 1808 spectrum 1 weight 0.11000E+01 volume 0.10856E-02 ppm1 1.301 ppm2 2.956 CV 1 ASSI { 1810} (( segid " " and resid 193 and name HA )) (( segid " " and resid 192 and name HG1 )) 4.400 2.400 1.600 peak 1810 spectrum 1 weight 0.11000E+01 volume 0.34933E-03 ppm1 4.394 ppm2 1.303 CV 1 OR { 1810} (( segid " " and resid 193 and name HA )) ( segid " " and resid 192 and name HG2%) ASSI { 1811} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB1 )) 2.600 0.800 0.800 peak 1811 spectrum 1 weight 0.11000E+01 volume 0.39740E-02 ppm1 4.395 ppm2 2.013 CV 1 ASSI { 1812} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB2 )) 2.900 1.100 1.100 peak 1812 spectrum 1 weight 0.11000E+01 volume 0.26428E-02 ppm1 4.400 ppm2 1.887 CV 1 ASSI { 1813} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HD1 )) 3.900 3.900 2.100 peak 1813 spectrum 1 weight 0.11000E+01 volume 0.14311E-02 ppm1 4.397 ppm2 1.663 CV 1 OR { 1813} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HD2 )) ASSI { 1814} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HG1 )) 3.200 1.300 1.300 peak 1814 spectrum 1 weight 0.11000E+01 volume 0.33195E-02 ppm1 4.399 ppm2 1.506 CV 1 ASSI { 1816} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HE1 )) 5.400 3.600 0.600 peak 1816 spectrum 1 weight 0.11000E+01 volume 0.38137E-03 ppm1 2.008 ppm2 2.919 CV 1 OR { 1816} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HE2 )) ASSI { 1818} (( segid " " and resid 193 and name HB1 )) (( segid " " and resid 193 and name HG2 )) 2.500 0.800 0.800 peak 1818 spectrum 1 weight 0.11000E+01 volume 0.30407E-02 ppm1 2.018 ppm2 1.647 CV 1 ASSI { 1820} (( segid " " and resid 193 and name HB2 )) (( segid " " and resid 193 and name HE1 )) 4.900 3.000 1.100 peak 1820 spectrum 1 weight 0.11000E+01 volume 0.48841E-03 ppm1 1.868 ppm2 2.914 CV 1 OR { 1820} (( segid " " and resid 193 and name HB2 )) (( segid " " and resid 193 and name HE2 )) ASSI { 1822} (( segid " " and resid 193 and name HD1 )) ( segid " " and resid 190 and name HG2%) 4.100 4.100 1.900 peak 1822 spectrum 1 weight 0.11000E+01 volume 0.90761E-03 ppm1 1.713 ppm2 0.954 CV 1 OR { 1822} (( segid " " and resid 193 and name HD2 )) ( segid " " and resid 190 and name HG2%) ASSI { 1823} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 190 and name HA )) 4.000 2.000 2.000 peak 1823 spectrum 1 weight 0.11000E+01 volume 0.71440E-03 ppm1 2.950 ppm2 4.114 CV 1 OR { 1823} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 190 and name HA )) ASSI { 1824} (( segid " " and resid 193 and name HE2 )) ( segid " " and resid 191 and name HG2%) 3.700 1.700 1.700 peak 1824 spectrum 1 weight 0.11000E+01 volume 0.14667E-02 ppm1 2.960 ppm2 1.324 CV 1 OR { 1824} (( segid " " and resid 193 and name HE1 )) ( segid " " and resid 191 and name HG2%) OR { 1824} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 191 and name HG1 )) ASSI { 1825} (( segid " " and resid 193 and name HE1 )) (( segid " " and resid 193 and name HG1 )) 2.600 0.900 0.900 peak 1825 spectrum 1 weight 0.11000E+01 volume 0.43506E-02 ppm1 2.937 ppm2 1.476 CV 1 OR { 1825} (( segid " " and resid 193 and name HE2 )) (( segid " " and resid 193 and name HG1 )) ASSI { 1828} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HB1 )) 2.600 0.800 0.800 peak 1828 spectrum 1 weight 0.11000E+01 volume 0.34141E-02 ppm1 1.519 ppm2 1.984 CV 1 ASSI { 1829} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HB2 )) 2.800 1.000 1.000 peak 1829 spectrum 1 weight 0.11000E+01 volume 0.50284E-02 ppm1 1.505 ppm2 1.858 CV 1 ASSI { 1830} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HD1 )) 1.900 0.400 0.400 peak 1830 spectrum 1 weight 0.11000E+01 volume 0.20948E-01 ppm1 1.491 ppm2 1.677 CV 1 OR { 1830} (( segid " " and resid 193 and name HG1 )) (( segid " " and resid 193 and name HD2 )) ASSI { 1834} (( segid " " and resid 195 and name HA )) ( segid " " and resid 191 and name HG2%) 4.600 2.600 1.400 peak 1834 spectrum 1 weight 0.11000E+01 volume 0.54980E-03 ppm1 4.299 ppm2 1.323 CV 1 ASSI { 1835} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB1 )) 2.800 1.000 1.000 peak 1835 spectrum 1 weight 0.11000E+01 volume 0.42437E-02 ppm1 4.288 ppm2 1.640 CV 1 ASSI { 1836} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB2 )) 2.400 0.700 0.700 peak 1836 spectrum 1 weight 0.11000E+01 volume 0.48392E-02 ppm1 4.288 ppm2 1.624 CV 1 ASSI { 1837} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HG1 )) 3.300 1.300 1.300 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.15575E-02 ppm1 4.291 ppm2 2.071 CV 1 ASSI { 1838} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HG2 )) 3.600 1.700 1.700 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.14428E-02 ppm1 4.289 ppm2 1.946 CV 1 ASSI { 1839} (( segid " " and resid 195 and name HA )) (( segid " " and resid 196 and name HB2 )) 5.000 3.100 1.000 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.55716E-03 ppm1 4.274 ppm2 2.612 CV 1 ASSI { 1840} (( segid " " and resid 195 and name HA )) ( segid " " and resid 197 and name HD% ) 5.000 5.000 1.000 peak 1840 spectrum 1 weight 0.11000E+01 volume 0.30123E-03 ppm1 4.289 ppm2 7.366 CV 1 ASSI { 1842} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 193 and name HA )) 2.500 2.500 3.500 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.82901E-03 ppm1 1.620 ppm2 4.374 CV 1 ASSI { 1845} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 196 and name HA )) 5.300 3.600 0.700 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.20734E-03 ppm1 1.631 ppm2 4.727 CV 1 ASSI { 1846} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 197 and name HA )) 5.100 5.100 0.900 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.27897E-03 ppm1 1.630 ppm2 5.420 CV 1 ASSI { 1849} (( segid " " and resid 195 and name HG1 )) (( segid " " and resid 195 and name HB2 )) 3.000 1.100 1.100 peak 1849 spectrum 1 weight 0.11000E+01 volume 0.35299E-02 ppm1 2.064 ppm2 1.618 CV 1 ASSI { 1852} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HB2 )) 2.500 0.800 0.800 peak 1852 spectrum 1 weight 0.11000E+01 volume 0.38341E-02 ppm1 1.945 ppm2 1.598 CV 1 ASSI { 1855} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB2 )) 2.700 0.900 0.900 peak 1855 spectrum 1 weight 0.11000E+01 volume 0.73193E-02 ppm1 4.717 ppm2 2.623 CV 1 ASSI { 1856} (( segid " " and resid 196 and name HA )) (( segid " " and resid 197 and name HA )) 4.500 2.600 1.500 peak 1856 spectrum 1 weight 0.11000E+01 volume 0.43725E-03 ppm1 4.695 ppm2 5.291 CV 1 ASSI { 1857} (( segid " " and resid 196 and name HA )) (( segid " " and resid 198 and name HB )) 3.600 3.600 2.400 peak 1857 spectrum 1 weight 0.11000E+01 volume 0.14418E-02 ppm1 4.713 ppm2 4.850 CV 1 ASSI { 1858} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 196 and name HA )) 2.600 0.800 0.800 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.35681E-02 ppm1 2.646 ppm2 4.716 CV 1 ASSI { 1859} (( segid " " and resid 196 and name HB1 )) (( segid " " and resid 197 and name HA )) 4.800 4.800 1.200 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.17807E-03 ppm1 2.654 ppm2 5.308 CV 1 ASSI { 1861} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 195 and name HG2 )) 5.100 3.200 0.900 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.33681E-03 ppm1 2.609 ppm2 1.971 CV 1 ASSI { 1862} (( segid " " and resid 197 and name HA )) (( segid " " and resid 196 and name HB2 )) 3.900 1.900 1.900 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.49759E-03 ppm1 5.285 ppm2 2.610 CV 1 ASSI { 1863} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB1 )) 2.900 1.100 1.100 peak 1863 spectrum 1 weight 0.11000E+01 volume 0.16343E-02 ppm1 5.292 ppm2 3.204 CV 1 ASSI { 1864} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB2 )) 2.900 1.100 1.100 peak 1864 spectrum 1 weight 0.11000E+01 volume 0.14482E-02 ppm1 5.293 ppm2 2.951 CV 1 ASSI { 1865} (( segid " " and resid 197 and name HA )) ( segid " " and resid 197 and name HD% ) 3.300 1.300 1.300 peak 1865 spectrum 1 weight 0.11000E+01 volume 0.29281E-02 ppm1 5.293 ppm2 7.353 CV 1 ASSI { 1867} (( segid " " and resid 197 and name HA )) (( segid " " and resid 199 and name HN )) 5.100 5.100 0.900 peak 1867 spectrum 1 weight 0.11000E+01 volume 0.50479E-03 ppm1 5.285 ppm2 9.052 CV 1 ASSI { 1869} (( segid " " and resid 197 and name HA )) (( segid " " and resid 202 and name HG12)) 5.000 3.200 1.000 peak 1869 spectrum 1 weight 0.11000E+01 volume 0.55225E-03 ppm1 5.285 ppm2 1.264 CV 1 ASSI { 1871} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 197 and name HB2 )) 2.400 0.700 0.700 peak 1871 spectrum 1 weight 0.11000E+01 volume 0.17293E-02 ppm1 3.209 ppm2 3.000 CV 1 ASSI { 1872} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 201 and name HB1 )) 3.900 1.900 1.900 peak 1872 spectrum 1 weight 0.11000E+01 volume 0.76343E-03 ppm1 3.211 ppm2 3.386 CV 1 ASSI { 1874} (( segid " " and resid 197 and name HB1 )) (( segid " " and resid 202 and name HA )) 4.600 2.600 1.400 peak 1874 spectrum 1 weight 0.11000E+01 volume 0.45277E-03 ppm1 3.197 ppm2 3.440 CV 1 ASSI { 1875} (( segid " " and resid 197 and name HB1 )) ( segid " " and resid 205 and name HE% ) 4.400 4.400 1.600 peak 1875 spectrum 1 weight 0.11000E+01 volume 0.41430E-03 ppm1 3.182 ppm2 1.522 CV 1 ASSI { 1877} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 196 and name HB2 )) 4.900 3.000 1.100 peak 1877 spectrum 1 weight 0.11000E+01 volume 0.44018E-03 ppm1 2.954 ppm2 2.611 CV 1 ASSI { 1880} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 201 and name HA )) 4.700 2.700 1.300 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.45137E-03 ppm1 2.963 ppm2 4.552 CV 1 ASSI { 1881} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 201 and name HB1 )) 3.400 1.400 1.400 peak 1881 spectrum 1 weight 0.11000E+01 volume 0.62918E-03 ppm1 2.959 ppm2 3.393 CV 1 ASSI { 1883} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 205 and name HE% ) 3.800 1.800 1.800 peak 1883 spectrum 1 weight 0.11000E+01 volume 0.47904E-03 ppm1 2.958 ppm2 1.506 CV 1 ASSI { 1884} (( segid " " and resid 198 and name HA )) (( segid " " and resid 196 and name HB1 )) 3.700 3.700 2.300 peak 1884 spectrum 1 weight 0.11000E+01 volume 0.73841E-03 ppm1 4.649 ppm2 2.659 CV 1 ASSI { 1885} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB )) 2.400 0.700 0.700 peak 1885 spectrum 1 weight 0.11000E+01 volume 0.65815E-02 ppm1 4.640 ppm2 4.815 CV 1 ASSI { 1890} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 196 and name HB2 )) 2.600 2.600 3.400 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.60641E-03 ppm1 1.424 ppm2 2.610 CV 1 ASSI { 1891} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 197 and name HA )) 4.600 2.600 1.400 peak 1891 spectrum 1 weight 0.11000E+01 volume 0.84231E-03 ppm1 1.425 ppm2 5.293 CV 1 ASSI { 1892} (( segid " " and resid 198 and name HG1 )) (( segid " " and resid 198 and name HA )) 2.700 0.900 0.900 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.78775E-02 ppm1 1.424 ppm2 4.640 CV 1 OR { 1892} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 198 and name HA )) ASSI { 1893} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 198 and name HB )) 2.200 0.600 0.600 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.10239E-01 ppm1 1.424 ppm2 4.834 CV 1 OR { 1893} (( segid " " and resid 198 and name HG1 )) (( segid " " and resid 198 and name HB )) ASSI { 1894} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 202 and name HG12)) 4.400 4.400 1.600 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.94534E-03 ppm1 1.426 ppm2 1.682 CV 1 OR { 1894} ( segid " " and resid 198 and name HG2%) (( segid " " and resid 202 and name HG11)) OR { 1894} (( segid " " and resid 198 and name HG1 )) (( segid " " and resid 202 and name HG11)) ASSI { 1895} (( segid " " and resid 199 and name HA )) (( segid " " and resid 198 and name HA )) 4.400 2.400 1.600 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.57247E-03 ppm1 4.058 ppm2 4.659 CV 1 ASSI { 1896} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB2 )) 2.400 2.400 3.600 peak 1896 spectrum 1 weight 0.11000E+01 volume 0.50142E-02 ppm1 4.048 ppm2 2.088 CV 1 OR { 1896} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB1 )) ASSI { 1897} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HG2 )) 3.200 1.300 1.300 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.19269E-02 ppm1 4.043 ppm2 2.343 CV 1 ASSI { 1899} (( segid " " and resid 199 and name HA )) (( segid " " and resid 200 and name HB )) 5.200 3.400 0.800 peak 1899 spectrum 1 weight 0.11000E+01 volume 0.28099E-03 ppm1 4.062 ppm2 3.746 CV 1 ASSI { 1900} (( segid " " and resid 199 and name HA )) (( segid " " and resid 202 and name HB )) 3.100 1.200 1.200 peak 1900 spectrum 1 weight 0.11000E+01 volume 0.52889E-02 ppm1 4.053 ppm2 1.955 CV 1 ASSI { 1901} (( segid " " and resid 199 and name HA )) (( segid " " and resid 202 and name HG12)) 3.100 1.200 1.200 peak 1901 spectrum 1 weight 0.11000E+01 volume 0.91282E-03 ppm1 4.062 ppm2 1.267 CV 1 ASSI { 1903} (( segid " " and resid 199 and name HB2 )) (( segid " " and resid 202 and name HB )) 3.500 3.500 2.500 peak 1903 spectrum 1 weight 0.11000E+01 volume 0.56414E-02 ppm1 2.084 ppm2 1.940 CV 1 OR { 1903} (( segid " " and resid 199 and name HB1 )) (( segid " " and resid 202 and name HB )) ASSI { 1904} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HA )) 2.900 1.000 1.000 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.21213E-02 ppm1 2.392 ppm2 4.039 CV 1 ASSI { 1905} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HB2 )) 2.300 2.300 3.700 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.11839E-01 ppm1 2.391 ppm2 2.101 CV 1 OR { 1905} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HB1 )) ASSI { 1906} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 199 and name HG2 )) 1.500 0.300 0.700 peak 1906 spectrum 1 weight 0.11000E+01 volume 0.50316E-01 ppm1 2.389 ppm2 2.330 CV 1 ASSI { 1907} (( segid " " and resid 199 and name HG1 )) (( segid " " and resid 200 and name HA )) 4.200 2.200 1.800 peak 1907 spectrum 1 weight 0.11000E+01 volume 0.43218E-03 ppm1 2.386 ppm2 3.802 CV 1 ASSI { 1910} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 199 and name HN )) 5.700 4.100 0.300 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.23359E-03 ppm1 2.319 ppm2 9.070 CV 1 ASSI { 1911} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 202 and name HB )) 3.200 3.200 2.800 peak 1911 spectrum 1 weight 0.11000E+01 volume 0.32642E-02 ppm1 2.303 ppm2 1.949 CV 1 ASSI { 1912} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 202 and name HG11)) 5.200 3.400 0.800 peak 1912 spectrum 1 weight 0.11000E+01 volume 0.32153E-03 ppm1 2.343 ppm2 1.514 CV 1 ASSI { 1913} (( segid " " and resid 199 and name HG2 )) (( segid " " and resid 203 and name HB2 )) 4.500 2.500 1.500 peak 1913 spectrum 1 weight 0.11000E+01 volume 0.56048E-03 ppm1 2.302 ppm2 1.618 CV 1 ASSI { 1914} (( segid " " and resid 200 and name HA )) (( segid " " and resid 199 and name HB1 )) 3.300 1.400 1.400 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.14547E-02 ppm1 3.811 ppm2 1.967 CV 1 ASSI { 1915} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HB )) 2.500 0.800 0.800 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.59091E-02 ppm1 3.800 ppm2 3.717 CV 1 ASSI { 1916} (( segid " " and resid 200 and name HA )) (( segid " " and resid 200 and name HG1 )) 2.600 0.800 0.800 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.38109E-02 ppm1 3.802 ppm2 0.631 CV 1 OR { 1916} (( segid " " and resid 200 and name HA )) ( segid " " and resid 200 and name HG2%) ASSI { 1917} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HB1 )) 4.000 2.000 2.000 peak 1917 spectrum 1 weight 0.11000E+01 volume 0.16832E-02 ppm1 3.796 ppm2 1.904 CV 1 ASSI { 1918} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HB2 )) 5.000 3.100 1.000 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.74898E-03 ppm1 3.796 ppm2 1.639 CV 1 ASSI { 1919} (( segid " " and resid 200 and name HA )) (( segid " " and resid 203 and name HG2 )) 3.100 1.200 1.200 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.52177E-03 ppm1 3.803 ppm2 1.398 CV 1 ASSI { 1921} (( segid " " and resid 200 and name HB )) (( segid " " and resid 203 and name HG2 )) 4.800 2.900 1.200 peak 1921 spectrum 1 weight 0.11000E+01 volume 0.51396E-03 ppm1 3.703 ppm2 1.420 CV 1 ASSI { 1922} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 145 and name HG2 )) 3.600 1.600 1.600 peak 1922 spectrum 1 weight 0.11000E+01 volume 0.54638E-03 ppm1 0.618 ppm2 1.846 CV 1 ASSI { 1923} ( segid " " and resid 200 and name HG2%) ( segid " " and resid 148 and name HE% ) 3.300 1.400 1.400 peak 1923 spectrum 1 weight 0.11000E+01 volume 0.19176E-02 ppm1 0.632 ppm2 6.887 CV 1 ASSI { 1926} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 200 and name HB )) 2.400 0.700 0.700 peak 1926 spectrum 1 weight 0.11000E+01 volume 0.74636E-02 ppm1 0.628 ppm2 3.728 CV 1 OR { 1926} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 200 and name HB )) ASSI { 1928} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.700 1.700 1.700 peak 1928 spectrum 1 weight 0.11000E+01 volume 0.11537E-02 ppm1 0.632 ppm2 1.579 CV 1 OR { 1928} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 203 and name HG1 )) ASSI { 1929} ( segid " " and resid 200 and name HG2%) (( segid " " and resid 203 and name HG2 )) 4.400 2.400 1.600 peak 1929 spectrum 1 weight 0.11000E+01 volume 0.60319E-03 ppm1 0.631 ppm2 1.413 CV 1 OR { 1929} (( segid " " and resid 200 and name HG1 )) (( segid " " and resid 203 and name HG2 )) ASSI { 1931} (( segid " " and resid 201 and name HA )) ( segid " " and resid 148 and name HE% ) 3.900 1.900 1.900 peak 1931 spectrum 1 weight 0.11000E+01 volume 0.64253E-03 ppm1 4.518 ppm2 6.925 CV 1 ASSI { 1933} (( segid " " and resid 201 and name HA )) (( segid " " and resid 197 and name HB1 )) 5.100 3.200 0.900 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.43063E-03 ppm1 4.538 ppm2 3.196 CV 1 ASSI { 1935} (( segid " " and resid 201 and name HA )) (( segid " " and resid 198 and name HA )) 4.200 4.200 1.800 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.93649E-03 ppm1 4.534 ppm2 4.670 CV 1 ASSI { 1936} (( segid " " and resid 201 and name HA )) ( segid " " and resid 200 and name HG2%) 3.300 1.300 1.300 peak 1936 spectrum 1 weight 0.11000E+01 volume 0.14155E-02 ppm1 4.537 ppm2 0.639 CV 1 ASSI { 1937} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB1 )) 2.700 0.900 0.900 peak 1937 spectrum 1 weight 0.11000E+01 volume 0.14196E-02 ppm1 4.535 ppm2 3.399 CV 1 ASSI { 1938} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB2 )) 3.000 1.100 1.100 peak 1938 spectrum 1 weight 0.11000E+01 volume 0.14814E-02 ppm1 4.539 ppm2 2.589 CV 1 ASSI { 1939} (( segid " " and resid 201 and name HA )) (( segid " " and resid 202 and name HG11)) 5.400 5.400 0.600 peak 1939 spectrum 1 weight 0.11000E+01 volume 0.48624E-03 ppm1 4.533 ppm2 1.526 CV 1 ASSI { 1940} (( segid " " and resid 201 and name HA )) (( segid " " and resid 204 and name HB )) 4.400 2.400 1.600 peak 1940 spectrum 1 weight 0.11000E+01 volume 0.18279E-02 ppm1 4.539 ppm2 1.938 CV 1 ASSI { 1941} (( segid " " and resid 201 and name HA )) ( segid " " and resid 204 and name HG2%) 4.400 2.400 1.600 peak 1941 spectrum 1 weight 0.11000E+01 volume 0.97096E-03 ppm1 4.543 ppm2 0.820 CV 1 ASSI { 1942} (( segid " " and resid 201 and name HA )) ( segid " " and resid 205 and name HE% ) 4.500 2.500 1.500 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.45613E-03 ppm1 4.532 ppm2 1.506 CV 1 ASSI { 1943} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 197 and name HA )) 3.900 1.900 1.900 peak 1943 spectrum 1 weight 0.11000E+01 volume 0.43894E-03 ppm1 3.388 ppm2 5.295 CV 1 ASSI { 1945} (( segid " " and resid 201 and name HB1 )) ( segid " " and resid 197 and name HD% ) 5.300 5.300 0.700 peak 1945 spectrum 1 weight 0.11000E+01 volume 0.17282E-03 ppm1 3.360 ppm2 7.389 CV 1 ASSI { 1947} (( segid " " and resid 201 and name HB1 )) ( segid " " and resid 204 and name HG2%) 5.400 3.700 0.600 peak 1947 spectrum 1 weight 0.11000E+01 volume 0.35150E-03 ppm1 3.383 ppm2 0.771 CV 1 ASSI { 1948} (( segid " " and resid 201 and name HB1 )) (( segid " " and resid 205 and name HG2 )) 4.900 4.900 1.100 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.30589E-03 ppm1 3.393 ppm2 2.022 CV 1 ASSI { 1949} (( segid " " and resid 201 and name HB2 )) (( segid " " and resid 197 and name HB1 )) 4.400 2.400 1.600 peak 1949 spectrum 1 weight 0.11000E+01 volume 0.57087E-03 ppm1 2.575 ppm2 3.176 CV 1 ASSI { 1952} (( segid " " and resid 202 and name HA )) (( segid " " and resid 199 and name HN )) 4.200 4.200 1.800 peak 1952 spectrum 1 weight 0.11000E+01 volume 0.15524E-02 ppm1 3.417 ppm2 9.059 CV 1 ASSI { 1953} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB )) 2.800 1.000 1.000 peak 1953 spectrum 1 weight 0.11000E+01 volume 0.23755E-02 ppm1 3.434 ppm2 1.921 CV 1 ASSI { 1955} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HG12)) 3.500 1.600 1.600 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.81305E-03 ppm1 3.415 ppm2 1.278 CV 1 ASSI { 1957} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HA )) 3.400 3.400 2.600 peak 1957 spectrum 1 weight 0.11000E+01 volume 0.79918E-02 ppm1 3.431 ppm2 3.438 CV 1 ASSI { 1958} (( segid " " and resid 202 and name HA )) (( segid " " and resid 205 and name HB1 )) 3.200 3.200 2.800 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.22324E-02 ppm1 3.422 ppm2 1.970 CV 1 ASSI { 1961} (( segid " " and resid 202 and name HB )) (( segid " " and resid 199 and name HN )) 4.500 2.500 1.500 peak 1961 spectrum 1 weight 0.11000E+01 volume 0.12713E-02 ppm1 1.953 ppm2 9.078 CV 1 ASSI { 1963} (( segid " " and resid 202 and name HB )) (( segid " " and resid 203 and name HA )) 3.400 1.500 1.500 peak 1963 spectrum 1 weight 0.11000E+01 volume 0.11240E-02 ppm1 1.941 ppm2 4.024 CV 1 ASSI { 1964} (( segid " " and resid 202 and name HB )) (( segid " " and resid 203 and name HG1 )) 4.000 2.000 2.000 peak 1964 spectrum 1 weight 0.11000E+01 volume 0.13855E-02 ppm1 1.944 ppm2 1.578 CV 1 ASSI { 1965} (( segid " " and resid 202 and name HB )) (( segid " " and resid 204 and name HG12)) 3.600 3.600 2.400 peak 1965 spectrum 1 weight 0.11000E+01 volume 0.28426E-02 ppm1 1.952 ppm2 0.838 CV 1 ASSI { 1967} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HA )) 4.800 2.900 1.200 peak 1967 spectrum 1 weight 0.11000E+01 volume 0.37677E-03 ppm1 0.728 ppm2 5.267 CV 1 ASSI { 1968} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HB1 )) 3.900 1.900 1.900 peak 1968 spectrum 1 weight 0.11000E+01 volume 0.16930E-02 ppm1 0.718 ppm2 3.192 CV 1 ASSI { 1969} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 197 and name HB2 )) 3.100 1.200 1.200 peak 1969 spectrum 1 weight 0.11000E+01 volume 0.14849E-02 ppm1 0.718 ppm2 2.953 CV 1 ASSI { 1970} ( segid " " and resid 202 and name HD1%) ( segid " " and resid 197 and name HD% ) 3.200 1.300 1.300 peak 1970 spectrum 1 weight 0.11000E+01 volume 0.96686E-03 ppm1 0.720 ppm2 7.357 CV 1 ASSI { 1971} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 199 and name HG2 )) 5.400 3.600 0.600 peak 1971 spectrum 1 weight 0.11000E+01 volume 0.41027E-03 ppm1 0.729 ppm2 2.340 CV 1 ASSI { 1972} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HA )) 2.600 0.900 0.900 peak 1972 spectrum 1 weight 0.11000E+01 volume 0.35668E-02 ppm1 0.719 ppm2 3.425 CV 1 ASSI { 1973} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HB )) 3.300 1.400 1.400 peak 1973 spectrum 1 weight 0.11000E+01 volume 0.37469E-02 ppm1 0.718 ppm2 1.952 CV 1 ASSI { 1974} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 202 and name HG12)) 2.300 0.700 0.700 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.60567E-02 ppm1 0.716 ppm2 1.290 CV 1 ASSI { 1975} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HA )) 3.800 3.800 2.200 peak 1975 spectrum 1 weight 0.11000E+01 volume 0.27335E-02 ppm1 0.719 ppm2 4.045 CV 1 ASSI { 1976} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HG1 )) 3.300 3.300 2.700 peak 1976 spectrum 1 weight 0.11000E+01 volume 0.67121E-02 ppm1 0.718 ppm2 1.539 CV 1 ASSI { 1977} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 203 and name HG2 )) 4.000 2.000 2.000 peak 1977 spectrum 1 weight 0.11000E+01 volume 0.22603E-02 ppm1 0.718 ppm2 1.398 CV 1 ASSI { 1980} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 206 and name HG1 )) 4.900 3.000 1.100 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.68796E-03 ppm1 0.720 ppm2 2.586 CV 1 ASSI { 1981} ( segid " " and resid 202 and name HD1%) (( segid " " and resid 206 and name HG2 )) 5.300 3.500 0.700 peak 1981 spectrum 1 weight 0.11000E+01 volume 0.62495E-03 ppm1 0.711 ppm2 2.120 CV 1 ASSI { 1982} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HA )) 4.000 2.000 2.000 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.93870E-03 ppm1 1.561 ppm2 3.408 CV 1 ASSI { 1983} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HB )) 2.600 0.900 0.900 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.20644E-02 ppm1 1.556 ppm2 1.942 CV 1 ASSI { 1984} (( segid " " and resid 202 and name HG11)) ( segid " " and resid 202 and name HD1%) 2.700 2.700 3.300 peak 1984 spectrum 1 weight 0.11000E+01 volume 0.23669E-02 ppm1 1.565 ppm2 0.684 CV 1 ASSI { 1985} (( segid " " and resid 202 and name HG11)) (( segid " " and resid 202 and name HG12)) 1.900 0.400 0.400 peak 1985 spectrum 1 weight 0.11000E+01 volume 0.42897E-02 ppm1 1.557 ppm2 1.298 CV 1 ASSI { 1988} (( segid " " and resid 202 and name HG12)) ( segid " " and resid 202 and name HG2%) 3.700 1.700 1.700 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.16679E-02 ppm1 1.303 ppm2 0.844 CV 1 ASSI { 1989} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 203 and name HA )) 4.800 2.900 1.200 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.44296E-03 ppm1 1.308 ppm2 4.043 CV 1 ASSI { 1990} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 203 and name HB1 )) 4.100 4.100 1.900 peak 1990 spectrum 1 weight 0.11000E+01 volume 0.91930E-03 ppm1 1.288 ppm2 1.883 CV 1 ASSI { 1991} (( segid " " and resid 202 and name HG12)) (( segid " " and resid 204 and name HG11)) 3.300 3.300 2.700 peak 1991 spectrum 1 weight 0.11000E+01 volume 0.39851E-02 ppm1 1.301 ppm2 1.559 CV 1 ASSI { 1992} ( segid " " and resid 202 and name HG2%) ( segid " " and resid 200 and name HG2%) 4.000 4.000 2.000 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.17401E-02 ppm1 0.834 ppm2 0.600 CV 1 OR { 1992} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 200 and name HG1 )) ASSI { 1993} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HA )) 2.500 0.800 0.800 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.36972E-02 ppm1 0.838 ppm2 3.425 CV 1 ASSI { 1994} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 202 and name HB )) 2.300 0.600 0.600 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.79089E-02 ppm1 0.834 ppm2 1.973 CV 1 ASSI { 1995} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 203 and name HA )) 3.300 1.400 1.400 peak 1995 spectrum 1 weight 0.11000E+01 volume 0.22495E-02 ppm1 0.830 ppm2 4.056 CV 1 ASSI { 1996} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HG12)) 4.000 4.000 2.000 peak 1996 spectrum 1 weight 0.11000E+01 volume 0.20764E-02 ppm1 0.827 ppm2 1.303 CV 1 OR { 1996} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HG11)) ASSI { 1997} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 204 and name HG11)) 3.800 3.800 2.200 peak 1997 spectrum 1 weight 0.11000E+01 volume 0.34357E-02 ppm1 0.834 ppm2 1.558 CV 1 ASSI { 1998} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 206 and name HG1 )) 2.700 0.900 0.900 peak 1998 spectrum 1 weight 0.11000E+01 volume 0.21072E-02 ppm1 0.842 ppm2 2.570 CV 1 ASSI { 1999} (( segid " " and resid 203 and name HA )) (( segid " " and resid 200 and name HA )) 5.100 3.300 0.900 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.66724E-03 ppm1 4.078 ppm2 3.826 CV 1 ASSI { 2000} (( segid " " and resid 203 and name HA )) ( segid " " and resid 200 and name HG2%) 5.200 3.400 0.800 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.48926E-03 ppm1 4.056 ppm2 0.663 CV 1 OR { 2000} (( segid " " and resid 203 and name HA )) (( segid " " and resid 200 and name HG1 )) ASSI { 2002} (( segid " " and resid 203 and name HA )) (( segid " " and resid 203 and name HG1 )) 3.200 1.300 1.300 peak 2002 spectrum 1 weight 0.11000E+01 volume 0.20260E-02 ppm1 4.065 ppm2 1.591 CV 1 ASSI { 2004} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HA )) 5.900 4.300 0.100 peak 2004 spectrum 1 weight 0.11000E+01 volume 0.14235E-03 ppm1 4.040 ppm2 3.659 CV 1 ASSI { 2005} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB1 )) 4.400 2.400 1.600 peak 2005 spectrum 1 weight 0.11000E+01 volume 0.12351E-02 ppm1 4.066 ppm2 2.213 CV 1 ASSI { 2006} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HB2 )) 2.500 0.800 0.800 peak 2006 spectrum 1 weight 0.11000E+01 volume 0.37095E-02 ppm1 4.063 ppm2 1.967 CV 1 ASSI { 2008} (( segid " " and resid 203 and name HA )) (( segid " " and resid 206 and name HG2 )) 4.300 2.400 1.700 peak 2008 spectrum 1 weight 0.11000E+01 volume 0.88325E-03 ppm1 4.060 ppm2 2.120 CV 1 ASSI { 2009} (( segid " " and resid 203 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.400 0.700 0.700 peak 2009 spectrum 1 weight 0.11000E+01 volume 0.50839E-02 ppm1 4.064 ppm2 1.929 CV 1 ASSI { 2012} (( segid " " and resid 203 and name HB1 )) ( segid " " and resid 200 and name HG2%) 5.700 4.000 0.300 peak 2012 spectrum 1 weight 0.11000E+01 volume 0.32596E-03 ppm1 1.857 ppm2 0.639 CV 1 OR { 2012} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 200 and name HG1 )) ASSI { 2013} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HA )) 2.600 0.800 0.800 peak 2013 spectrum 1 weight 0.11000E+01 volume 0.32103E-02 ppm1 1.880 ppm2 4.051 CV 1 ASSI { 2014} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HB2 )) 1.900 0.500 0.500 peak 2014 spectrum 1 weight 0.11000E+01 volume 0.48053E-02 ppm1 1.874 ppm2 1.623 CV 1 ASSI { 2015} (( segid " " and resid 203 and name HB1 )) (( segid " " and resid 203 and name HG1 )) 2.700 0.900 0.900 peak 2015 spectrum 1 weight 0.11000E+01 volume 0.40556E-02 ppm1 1.861 ppm2 1.576 CV 1 ASSI { 2017} (( segid " " and resid 203 and name HD2 )) ( segid " " and resid 204 and name HD1%) 4.700 2.700 1.300 peak 2017 spectrum 1 weight 0.11000E+01 volume 0.90967E-03 ppm1 1.655 ppm2 0.631 CV 1 OR { 2017} (( segid " " and resid 203 and name HD1 )) ( segid " " and resid 204 and name HD1%) ASSI { 2021} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 203 and name HE1 )) 3.000 1.100 1.100 peak 2021 spectrum 1 weight 0.11000E+01 volume 0.97499E-03 ppm1 1.579 ppm2 2.909 CV 1 OR { 2021} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 203 and name HE2 )) ASSI { 2022} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 203 and name HG2 )) 2.000 0.500 0.500 peak 2022 spectrum 1 weight 0.11000E+01 volume 0.21938E-02 ppm1 1.580 ppm2 1.398 CV 1 ASSI { 2023} (( segid " " and resid 203 and name HG1 )) (( segid " " and resid 207 and name HG2 )) 4.400 2.400 1.600 peak 2023 spectrum 1 weight 0.11000E+01 volume 0.80324E-03 ppm1 1.556 ppm2 1.778 CV 1 ASSI { 2025} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HA )) 3.600 1.600 1.600 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.22896E-02 ppm1 1.411 ppm2 4.066 CV 1 ASSI { 2026} (( segid " " and resid 203 and name HG2 )) (( segid " " and resid 203 and name HB1 )) 2.200 0.600 0.600 peak 2026 spectrum 1 weight 0.11000E+01 volume 0.40193E-02 ppm1 1.411 ppm2 1.911 CV 1 ASSI { 2028} (( segid " " and resid 204 and name HA )) ( segid " " and resid 149 and name HD% ) 4.200 2.200 1.800 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.77805E-03 ppm1 3.641 ppm2 6.919 CV 1 ASSI { 2029} (( segid " " and resid 204 and name HA )) ( segid " " and resid 200 and name HG2%) 3.900 1.900 1.900 peak 2029 spectrum 1 weight 0.11000E+01 volume 0.14454E-02 ppm1 3.633 ppm2 0.628 CV 1 ASSI { 2030} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HB )) 2.700 0.900 0.900 peak 2030 spectrum 1 weight 0.11000E+01 volume 0.14723E-02 ppm1 3.630 ppm2 1.927 CV 1 ASSI { 2031} (( segid " " and resid 204 and name HA )) (( segid " " and resid 204 and name HG11)) 3.200 1.300 1.300 peak 2031 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 3.631 ppm2 1.563 CV 1 ASSI { 2032} (( segid " " and resid 204 and name HA )) ( segid " " and resid 204 and name HG2%) 2.400 0.700 0.700 peak 2032 spectrum 1 weight 0.11000E+01 volume 0.30680E-02 ppm1 3.629 ppm2 0.809 CV 1 ASSI { 2033} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB1 )) 3.400 1.400 1.400 peak 2033 spectrum 1 weight 0.11000E+01 volume 0.19625E-02 ppm1 3.629 ppm2 1.906 CV 1 ASSI { 2034} (( segid " " and resid 204 and name HA )) (( segid " " and resid 207 and name HB2 )) 4.500 2.500 1.500 peak 2034 spectrum 1 weight 0.11000E+01 volume 0.11322E-02 ppm1 3.629 ppm2 1.878 CV 1 ASSI { 2035} (( segid " " and resid 204 and name HA )) ( segid " " and resid 208 and name HG2%) 3.100 1.200 1.200 peak 2035 spectrum 1 weight 0.11000E+01 volume 0.14767E-02 ppm1 3.632 ppm2 1.030 CV 1 ASSI { 2036} (( segid " " and resid 204 and name HB )) ( segid " " and resid 200 and name HG2%) 3.800 1.800 1.800 peak 2036 spectrum 1 weight 0.11000E+01 volume 0.17187E-02 ppm1 1.928 ppm2 0.638 CV 1 ASSI { 2038} (( segid " " and resid 204 and name HB )) (( segid " " and resid 203 and name HG1 )) 4.600 2.600 1.400 peak 2038 spectrum 1 weight 0.11000E+01 volume 0.10720E-02 ppm1 1.922 ppm2 1.557 CV 1 ASSI { 2042} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 145 and name HB2 )) 2.400 2.400 3.600 peak 2042 spectrum 1 weight 0.11000E+01 volume 0.10243E-02 ppm1 0.640 ppm2 1.376 CV 1 ASSI { 2043} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 148 and name HB1 )) 3.000 1.100 1.100 peak 2043 spectrum 1 weight 0.11000E+01 volume 0.96510E-03 ppm1 0.638 ppm2 2.755 CV 1 ASSI { 2044} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 148 and name HD% ) 2.500 0.800 0.800 peak 2044 spectrum 1 weight 0.11000E+01 volume 0.46298E-02 ppm1 0.639 ppm2 6.875 CV 1 ASSI { 2045} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 197 and name HD% ) 4.000 4.000 2.000 peak 2045 spectrum 1 weight 0.11000E+01 volume 0.12546E-02 ppm1 0.641 ppm2 7.360 CV 1 ASSI { 2047} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 201 and name HA )) 2.800 2.800 3.200 peak 2047 spectrum 1 weight 0.11000E+01 volume 0.88737E-03 ppm1 0.638 ppm2 4.539 CV 1 ASSI { 2048} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 203 and name HG1 )) 3.500 1.500 1.500 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.46097E-02 ppm1 0.637 ppm2 1.564 CV 1 ASSI { 2049} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 204 and name HA )) 3.700 1.700 1.700 peak 2049 spectrum 1 weight 0.11000E+01 volume 0.20228E-02 ppm1 0.639 ppm2 3.607 CV 1 ASSI { 2050} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 204 and name HB )) 2.400 0.700 0.700 peak 2050 spectrum 1 weight 0.11000E+01 volume 0.44471E-02 ppm1 0.639 ppm2 1.916 CV 1 ASSI { 2051} ( segid " " and resid 204 and name HD1%) ( segid " " and resid 204 and name HG2%) 2.000 0.500 0.500 peak 2051 spectrum 1 weight 0.11000E+01 volume 0.12384E-01 ppm1 0.640 ppm2 0.800 CV 1 ASSI { 2052} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 206 and name HG1 )) 4.600 4.600 1.400 peak 2052 spectrum 1 weight 0.11000E+01 volume 0.10266E-02 ppm1 0.640 ppm2 2.518 CV 1 ASSI { 2053} ( segid " " and resid 204 and name HD1%) (( segid " " and resid 207 and name HD1 )) 4.600 2.600 1.400 peak 2053 spectrum 1 weight 0.11000E+01 volume 0.12853E-02 ppm1 0.638 ppm2 3.246 CV 1 ASSI { 2054} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 205 and name HB2 )) 3.900 1.900 1.900 peak 2054 spectrum 1 weight 0.11000E+01 volume 0.97265E-03 ppm1 1.301 ppm2 1.662 CV 1 OR { 2054} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 205 and name HB2 )) ASSI { 2055} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 148 and name HD% ) 4.300 2.400 1.700 peak 2055 spectrum 1 weight 0.11000E+01 volume 0.61858E-03 ppm1 1.558 ppm2 6.870 CV 1 ASSI { 2056} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 203 and name HG2 )) 5.500 3.800 0.500 peak 2056 spectrum 1 weight 0.11000E+01 volume 0.11848E-02 ppm1 1.556 ppm2 1.428 CV 1 ASSI { 2058} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 204 and name HD1%) 2.400 0.700 0.700 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.30500E-02 ppm1 1.561 ppm2 0.654 CV 1 ASSI { 2059} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 204 and name HG12)) 1.800 0.400 0.400 peak 2059 spectrum 1 weight 0.11000E+01 volume 0.45454E-02 ppm1 1.556 ppm2 0.817 CV 1 ASSI { 2060} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 207 and name HB1 )) 3.600 3.600 2.400 peak 2060 spectrum 1 weight 0.11000E+01 volume 0.21196E-02 ppm1 1.559 ppm2 1.942 CV 1 ASSI { 2061} (( segid " " and resid 204 and name HG11)) (( segid " " and resid 207 and name HB2 )) 4.400 4.400 1.600 peak 2061 spectrum 1 weight 0.11000E+01 volume 0.15560E-02 ppm1 1.556 ppm2 1.877 CV 1 ASSI { 2062} (( segid " " and resid 214 and name HG11)) ( segid " " and resid 175 and name HG2%) 3.900 1.900 1.900 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.25823E-03 ppm1 1.556 ppm2 1.087 CV 1 ASSI { 2063} (( segid " " and resid 204 and name HG11)) ( segid " " and resid 208 and name HG2%) 4.600 2.700 1.400 peak 2063 spectrum 1 weight 0.11000E+01 volume 0.25343E-03 ppm1 1.559 ppm2 1.015 CV 1 ASSI { 2064} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 204 and name HA )) 3.600 1.600 1.600 peak 2064 spectrum 1 weight 0.11000E+01 volume 0.81550E-03 ppm1 0.816 ppm2 3.628 CV 1 ASSI { 2065} (( segid " " and resid 204 and name HG12)) ( segid " " and resid 204 and name HD1%) 2.500 0.800 0.800 peak 2065 spectrum 1 weight 0.11000E+01 volume 0.22539E-02 ppm1 0.822 ppm2 0.659 CV 1 ASSI { 2068} (( segid " " and resid 204 and name HG12)) (( segid " " and resid 208 and name HB )) 4.500 4.500 1.500 peak 2068 spectrum 1 weight 0.11000E+01 volume 0.73911E-03 ppm1 0.808 ppm2 2.111 CV 1 ASSI { 2071} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 149 and name HB1 )) 2.900 1.100 1.100 peak 2071 spectrum 1 weight 0.11000E+01 volume 0.16629E-02 ppm1 0.803 ppm2 3.229 CV 1 ASSI { 2075} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 203 and name HG1 )) 3.300 1.300 1.300 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.22755E-02 ppm1 0.802 ppm2 1.564 CV 1 ASSI { 2077} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 204 and name HB )) 2.300 0.600 0.600 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.47838E-02 ppm1 0.803 ppm2 1.930 CV 1 ASSI { 2079} ( segid " " and resid 204 and name HG2%) (( segid " " and resid 205 and name HB2 )) 4.500 2.600 1.500 peak 2079 spectrum 1 weight 0.11000E+01 volume 0.10840E-02 ppm1 0.765 ppm2 1.670 CV 1 ASSI { 2080} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 208 and name HG1%) 3.900 3.900 2.100 peak 2080 spectrum 1 weight 0.11000E+01 volume 0.19564E-02 ppm1 0.798 ppm2 1.105 CV 1 ASSI { 2081} ( segid " " and resid 204 and name HG2%) ( segid " " and resid 208 and name HG2%) 3.100 1.200 1.200 peak 2081 spectrum 1 weight 0.11000E+01 volume 0.35217E-02 ppm1 0.798 ppm2 1.018 CV 1 ASSI { 2082} (( segid " " and resid 205 and name HA )) ( segid " " and resid 156 and name HD% ) 4.500 2.500 1.500 peak 2082 spectrum 1 weight 0.11000E+01 volume 0.42862E-03 ppm1 3.439 ppm2 7.031 CV 1 ASSI { 2083} (( segid " " and resid 205 and name HA )) ( segid " " and resid 183 and name HG1%) 3.700 1.700 1.700 peak 2083 spectrum 1 weight 0.11000E+01 volume 0.17992E-02 ppm1 3.440 ppm2 1.046 CV 1 ASSI { 2084} (( segid " " and resid 205 and name HA )) (( segid " " and resid 203 and name HE1 )) 5.400 5.400 0.600 peak 2084 spectrum 1 weight 0.11000E+01 volume 0.25912E-03 ppm1 3.431 ppm2 2.901 CV 1 OR { 2084} (( segid " " and resid 205 and name HA )) (( segid " " and resid 203 and name HE2 )) ASSI { 2085} (( segid " " and resid 205 and name HA )) ( segid " " and resid 204 and name HG2%) 4.300 2.300 1.700 peak 2085 spectrum 1 weight 0.11000E+01 volume 0.92186E-03 ppm1 3.445 ppm2 0.786 CV 1 ASSI { 2086} (( segid " " and resid 205 and name HA )) (( segid " " and resid 205 and name HB1 )) 2.800 1.000 1.000 peak 2086 spectrum 1 weight 0.11000E+01 volume 0.35212E-02 ppm1 3.440 ppm2 1.987 CV 1 ASSI { 2088} (( segid " " and resid 205 and name HA )) (( segid " " and resid 206 and name HA )) 4.100 2.100 1.900 peak 2088 spectrum 1 weight 0.11000E+01 volume 0.66127E-03 ppm1 3.434 ppm2 3.637 CV 1 ASSI { 2089} (( segid " " and resid 205 and name HA )) (( segid " " and resid 207 and name HD2 )) 4.000 2.000 2.000 peak 2089 spectrum 1 weight 0.11000E+01 volume 0.88501E-03 ppm1 3.433 ppm2 3.210 CV 1 ASSI { 2090} (( segid " " and resid 205 and name HA )) (( segid " " and resid 208 and name HB )) 2.900 1.000 1.000 peak 2090 spectrum 1 weight 0.11000E+01 volume 0.16430E-02 ppm1 3.443 ppm2 2.100 CV 1 ASSI { 2091} (( segid " " and resid 205 and name HA )) (( segid " " and resid 208 and name HN )) 3.500 1.500 1.500 peak 2091 spectrum 1 weight 0.11000E+01 volume 0.56987E-03 ppm1 3.426 ppm2 8.275 CV 1 ASSI { 2094} (( segid " " and resid 159 and name HB1 )) (( segid " " and resid 131 and name HN )) 4.400 2.400 1.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.43936E-03 ppm1 1.985 ppm2 8.346 CV 1 ASSI { 2095} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 201 and name HA )) 4.100 2.100 1.900 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.90600E-03 ppm1 1.970 ppm2 4.548 CV 1 ASSI { 2098} (( segid " " and resid 205 and name HB1 )) (( segid " " and resid 208 and name HB )) 3.300 3.300 2.700 peak 2098 spectrum 1 weight 0.11000E+01 volume 0.39595E-02 ppm1 1.983 ppm2 2.102 CV 1 ASSI { 2099} (( segid " " and resid 205 and name HB1 )) ( segid " " and resid 209 and name HG1%) 5.200 5.200 0.800 peak 2099 spectrum 1 weight 0.11000E+01 volume 0.26342E-03 ppm1 1.960 ppm2 0.906 CV 1 ASSI { 2101} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 201 and name HA )) 4.300 2.300 1.700 peak 2101 spectrum 1 weight 0.11000E+01 volume 0.99344E-03 ppm1 1.664 ppm2 4.564 CV 1 ASSI { 2102} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 205 and name HB1 )) 1.800 0.400 0.400 peak 2102 spectrum 1 weight 0.11000E+01 volume 0.38751E-02 ppm1 1.669 ppm2 1.981 CV 1 ASSI { 2103} (( segid " " and resid 205 and name HB2 )) (( segid " " and resid 206 and name HG2 )) 4.600 2.600 1.400 peak 2103 spectrum 1 weight 0.11000E+01 volume 0.20352E-02 ppm1 1.667 ppm2 2.120 CV 1 ASSI { 2104} (( segid " " and resid 205 and name HB2 )) ( segid " " and resid 209 and name HG2%) 4.500 2.500 1.500 peak 2104 spectrum 1 weight 0.11000E+01 volume 0.41692E-03 ppm1 1.654 ppm2 1.230 CV 1 ASSI { 2105} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 156 and name HB2 )) 4.400 2.400 1.600 peak 2105 spectrum 1 weight 0.11000E+01 volume 0.19718E-02 ppm1 1.493 ppm2 3.023 CV 1 ASSI { 2106} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 156 and name HD% ) 3.500 1.500 1.500 peak 2106 spectrum 1 weight 0.11000E+01 volume 0.22269E-02 ppm1 1.494 ppm2 7.024 CV 1 ASSI { 2107} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 183 and name HB )) 2.900 1.100 1.100 peak 2107 spectrum 1 weight 0.11000E+01 volume 0.15602E-02 ppm1 1.493 ppm2 2.285 CV 1 ASSI { 2108} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 183 and name HG1%) 3.100 1.200 1.200 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.60619E-02 ppm1 1.494 ppm2 1.037 CV 1 ASSI { 2109} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 183 and name HG2%) 2.600 0.800 0.800 peak 2109 spectrum 1 weight 0.11000E+01 volume 0.97398E-02 ppm1 1.494 ppm2 0.972 CV 1 ASSI { 2110} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 187 and name HG1 )) 2.200 0.600 0.600 peak 2110 spectrum 1 weight 0.11000E+01 volume 0.10371E-01 ppm1 1.491 ppm2 1.331 CV 1 OR { 2110} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 187 and name HG2%) ASSI { 2111} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 197 and name HA )) 2.500 2.500 3.500 peak 2111 spectrum 1 weight 0.11000E+01 volume 0.82851E-03 ppm1 1.496 ppm2 4.980 CV 1 ASSI { 2113} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 197 and name HD% ) 2.600 2.600 3.400 peak 2113 spectrum 1 weight 0.11000E+01 volume 0.51934E-02 ppm1 1.492 ppm2 7.362 CV 1 ASSI { 2114} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 197 and name HE% ) 2.000 2.000 4.000 peak 2114 spectrum 1 weight 0.11000E+01 volume 0.31865E-02 ppm1 1.492 ppm2 6.915 CV 1 ASSI { 2117} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HA )) 1.900 0.500 0.500 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.95087E-02 ppm1 1.489 ppm2 3.406 CV 1 ASSI { 2118} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 202 and name HB )) 2.700 2.700 3.300 peak 2118 spectrum 1 weight 0.11000E+01 volume 0.13163E-01 ppm1 1.492 ppm2 1.969 CV 1 ASSI { 2119} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 202 and name HD1%) 2.800 1.000 1.000 peak 2119 spectrum 1 weight 0.11000E+01 volume 0.74627E-02 ppm1 1.492 ppm2 0.721 CV 1 ASSI { 2120} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 203 and name HA )) 3.900 1.900 1.900 peak 2120 spectrum 1 weight 0.11000E+01 volume 0.12573E-02 ppm1 1.495 ppm2 4.064 CV 1 ASSI { 2121} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HA )) 3.600 3.600 2.400 peak 2121 spectrum 1 weight 0.11000E+01 volume 0.28596E-02 ppm1 1.490 ppm2 3.623 CV 1 ASSI { 2122} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 204 and name HB )) 3.100 3.100 2.900 peak 2122 spectrum 1 weight 0.11000E+01 volume 0.13163E-01 ppm1 1.492 ppm2 1.969 CV 1 ASSI { 2123} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 205 and name HA )) 3.200 1.300 1.300 peak 2123 spectrum 1 weight 0.11000E+01 volume 0.95087E-02 ppm1 1.492 ppm2 3.418 CV 1 ASSI { 2124} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 206 and name HG1 )) 2.400 0.700 0.700 peak 2124 spectrum 1 weight 0.11000E+01 volume 0.25239E-02 ppm1 1.492 ppm2 2.589 CV 1 ASSI { 2125} ( segid " " and resid 205 and name HE% ) (( segid " " and resid 207 and name HD2 )) 3.500 3.500 2.500 peak 2125 spectrum 1 weight 0.11000E+01 volume 0.35876E-02 ppm1 1.494 ppm2 3.169 CV 1 ASSI { 2126} ( segid " " and resid 205 and name HE% ) ( segid " " and resid 209 and name HG1%) 3.000 3.000 3.000 peak 2126 spectrum 1 weight 0.11000E+01 volume 0.10648E-01 ppm1 1.492 ppm2 0.950 CV 1 ASSI { 2128} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 156 and name HB2 )) 5.200 5.200 0.800 peak 2128 spectrum 1 weight 0.11000E+01 volume 0.77083E-03 ppm1 1.998 ppm2 3.110 CV 1 ASSI { 2130} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 183 and name HB )) 2.500 0.800 0.800 peak 2130 spectrum 1 weight 0.11000E+01 volume 0.36716E-02 ppm1 2.021 ppm2 2.289 CV 1 ASSI { 2131} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 203 and name HA )) 3.800 3.800 2.200 peak 2131 spectrum 1 weight 0.11000E+01 volume 0.18330E-02 ppm1 2.004 ppm2 4.069 CV 1 ASSI { 2132} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 204 and name HG12)) 4.800 2.900 1.200 peak 2132 spectrum 1 weight 0.11000E+01 volume 0.11857E-02 ppm1 2.004 ppm2 0.836 CV 1 ASSI { 2133} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 205 and name HA )) 3.200 1.300 1.300 peak 2133 spectrum 1 weight 0.11000E+01 volume 0.16963E-02 ppm1 2.000 ppm2 3.436 CV 1 ASSI { 2134} (( segid " " and resid 205 and name HG2 )) ( segid " " and resid 205 and name HE% ) 2.800 1.000 1.000 peak 2134 spectrum 1 weight 0.11000E+01 volume 0.24573E-02 ppm1 2.004 ppm2 1.518 CV 1 ASSI { 2135} (( segid " " and resid 205 and name HG2 )) (( segid " " and resid 209 and name HA )) 4.400 4.400 1.600 peak 2135 spectrum 1 weight 0.11000E+01 volume 0.63487E-03 ppm1 2.013 ppm2 3.655 CV 1 ASSI { 2137} (( segid " " and resid 206 and name HA )) ( segid " " and resid 183 and name HG1%) 2.600 0.900 0.900 peak 2137 spectrum 1 weight 0.11000E+01 volume 0.17643E-02 ppm1 3.617 ppm2 1.008 CV 1 ASSI { 2138} (( segid " " and resid 206 and name HA )) ( segid " " and resid 183 and name HG2%) 3.800 1.800 1.800 peak 2138 spectrum 1 weight 0.11000E+01 volume 0.18942E-02 ppm1 3.631 ppm2 0.975 CV 1 ASSI { 2139} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB1 )) 3.000 1.100 1.100 peak 2139 spectrum 1 weight 0.11000E+01 volume 0.11240E-02 ppm1 3.618 ppm2 2.224 CV 1 ASSI { 2140} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HB2 )) 3.300 1.300 1.300 peak 2140 spectrum 1 weight 0.11000E+01 volume 0.17402E-02 ppm1 3.628 ppm2 1.954 CV 1 ASSI { 2141} (( segid " " and resid 206 and name HA )) (( segid " " and resid 206 and name HG1 )) 4.000 2.000 2.000 peak 2141 spectrum 1 weight 0.11000E+01 volume 0.58530E-03 ppm1 3.625 ppm2 2.558 CV 1 ASSI { 2143} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 202 and name HB )) 3.000 1.100 1.100 peak 2143 spectrum 1 weight 0.11000E+01 volume 0.20924E-02 ppm1 2.562 ppm2 1.958 CV 1 ASSI { 2144} (( segid " " and resid 206 and name HG1 )) (( segid " " and resid 203 and name HA )) 3.500 1.500 1.500 peak 2144 spectrum 1 weight 0.11000E+01 volume 0.60892E-03 ppm1 2.568 ppm2 4.072 CV 1 ASSI { 2147} (( segid " " and resid 206 and name HG1 )) ( segid " " and resid 209 and name HG1%) 4.200 4.200 1.800 peak 2147 spectrum 1 weight 0.11000E+01 volume 0.15742E-02 ppm1 2.575 ppm2 0.991 CV 1 ASSI { 2149} (( segid " " and resid 206 and name HG2 )) ( segid " " and resid 205 and name HE% ) 3.700 1.700 1.700 peak 2149 spectrum 1 weight 0.11000E+01 volume 0.42550E-03 ppm1 2.134 ppm2 1.473 CV 1 ASSI { 2150} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HA )) 3.200 1.200 1.200 peak 2150 spectrum 1 weight 0.11000E+01 volume 0.81242E-03 ppm1 2.134 ppm2 3.645 CV 1 ASSI { 2151} (( segid " " and resid 206 and name HG2 )) (( segid " " and resid 206 and name HG1 )) 1.800 0.400 0.400 peak 2151 spectrum 1 weight 0.11000E+01 volume 0.59517E-02 ppm1 2.113 ppm2 2.566 CV 1 ASSI { 2155} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HB1 )) 2.500 0.800 0.800 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.57091E-02 ppm1 4.117 ppm2 1.937 CV 1 ASSI { 2156} (( segid " " and resid 207 and name HA )) (( segid " " and resid 207 and name HD2 )) 5.100 5.100 0.900 peak 2156 spectrum 1 weight 0.11000E+01 volume 0.39746E-03 ppm1 4.104 ppm2 3.201 CV 1 ASSI { 2157} (( segid " " and resid 207 and name HA )) ( segid " " and resid 208 and name HG1%) 4.800 4.800 1.200 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.53844E-03 ppm1 4.171 ppm2 1.070 CV 1 ASSI { 2158} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HB1 )) 2.500 0.800 0.800 peak 2158 spectrum 1 weight 0.11000E+01 volume 0.52156E-02 ppm1 4.174 ppm2 2.165 CV 1 ASSI { 2159} (( segid " " and resid 207 and name HA )) (( segid " " and resid 210 and name HG2 )) 3.200 1.300 1.300 peak 2159 spectrum 1 weight 0.11000E+01 volume 0.79411E-03 ppm1 4.119 ppm2 2.335 CV 1 ASSI { 2161} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 203 and name HG1 )) 3.500 3.500 2.500 peak 2161 spectrum 1 weight 0.11000E+01 volume 0.19492E-02 ppm1 1.926 ppm2 1.572 CV 1 ASSI { 2162} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 203 and name HG2 )) 4.900 2.900 1.100 peak 2162 spectrum 1 weight 0.11000E+01 volume 0.51210E-03 ppm1 1.929 ppm2 1.401 CV 1 ASSI { 2163} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 206 and name HA )) 4.700 2.800 1.300 peak 2163 spectrum 1 weight 0.11000E+01 volume 0.48624E-03 ppm1 1.926 ppm2 3.637 CV 1 ASSI { 2165} (( segid " " and resid 207 and name HB1 )) (( segid " " and resid 207 and name HD2 )) 2.500 0.800 0.800 peak 2165 spectrum 1 weight 0.11000E+01 volume 0.15209E-02 ppm1 1.926 ppm2 3.191 CV 1 ASSI { 2166} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 203 and name HB1 )) 3.300 1.400 1.400 peak 2166 spectrum 1 weight 0.11000E+01 volume 0.65990E-02 ppm1 3.197 ppm2 1.897 CV 1 ASSI { 2167} (( segid " " and resid 207 and name HD2 )) (( segid " " and resid 211 and name HG2 )) 5.100 5.100 0.900 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.20412E-03 ppm1 3.187 ppm2 2.414 CV 1 ASSI { 2168} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 204 and name HG11)) 3.400 3.400 2.600 peak 2168 spectrum 1 weight 0.11000E+01 volume 0.17159E-02 ppm1 1.796 ppm2 1.572 CV 1 ASSI { 2170} (( segid " " and resid 207 and name HG2 )) (( segid " " and resid 207 and name HD2 )) 2.700 0.900 0.900 peak 2170 spectrum 1 weight 0.11000E+01 volume 0.16299E-02 ppm1 1.786 ppm2 3.175 CV 1 ASSI { 2172} (( segid " " and resid 208 and name HA )) (( segid " " and resid 138 and name HG11)) 4.000 2.000 2.000 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.40337E-03 ppm1 3.519 ppm2 0.718 CV 1 ASSI { 2173} (( segid " " and resid 208 and name HA )) (( segid " " and resid 138 and name HG12)) 4.200 2.300 1.800 peak 2173 spectrum 1 weight 0.11000E+01 volume 0.91781E-03 ppm1 3.514 ppm2 0.887 CV 1 ASSI { 2174} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HB )) 3.000 1.100 1.100 peak 2174 spectrum 1 weight 0.11000E+01 volume 0.18790E-02 ppm1 3.522 ppm2 2.111 CV 1 ASSI { 2176} (( segid " " and resid 208 and name HA )) (( segid " " and resid 208 and name HN )) 3.100 1.200 1.200 peak 2176 spectrum 1 weight 0.11000E+01 volume 0.91670E-03 ppm1 3.525 ppm2 8.288 CV 1 ASSI { 2177} (( segid " " and resid 208 and name HA )) (( segid " " and resid 209 and name HA )) 3.700 1.700 1.700 peak 2177 spectrum 1 weight 0.11000E+01 volume 0.99537E-03 ppm1 3.517 ppm2 3.673 CV 1 ASSI { 2178} (( segid " " and resid 208 and name HA )) (( segid " " and resid 210 and name HB1 )) 3.800 3.800 2.200 peak 2178 spectrum 1 weight 0.11000E+01 volume 0.11417E-02 ppm1 3.524 ppm2 2.160 CV 1 ASSI { 2182} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 133 and name HG2 )) 4.700 2.800 1.300 peak 2182 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 1.112 ppm2 2.458 CV 1 ASSI { 2183} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HA )) 3.600 1.600 1.600 peak 2183 spectrum 1 weight 0.11000E+01 volume 0.13231E-02 ppm1 1.112 ppm2 4.399 CV 1 ASSI { 2184} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 135 and name HD1 )) 3.000 1.100 1.100 peak 2184 spectrum 1 weight 0.11000E+01 volume 0.12350E-02 ppm1 1.114 ppm2 3.077 CV 1 ASSI { 2185} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 136 and name HD1 )) 3.000 1.100 1.100 peak 2185 spectrum 1 weight 0.11000E+01 volume 0.14430E-02 ppm1 1.114 ppm2 3.893 CV 1 ASSI { 2186} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 136 and name HD2 )) 2.500 0.800 0.800 peak 2186 spectrum 1 weight 0.11000E+01 volume 0.29325E-02 ppm1 1.116 ppm2 3.631 CV 1 ASSI { 2187} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 136 and name HG1 )) 3.700 1.700 1.700 peak 2187 spectrum 1 weight 0.11000E+01 volume 0.14150E-02 ppm1 1.109 ppm2 1.763 CV 1 ASSI { 2190} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 149 and name HD% ) 4.000 4.000 2.000 peak 2190 spectrum 1 weight 0.11000E+01 volume 0.55234E-03 ppm1 1.121 ppm2 6.569 CV 1 ASSI { 2191} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 138 and name HD1%) 3.300 1.300 1.300 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.18915E-02 ppm1 1.117 ppm2 0.416 CV 1 ASSI { 2192} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HD2 )) 4.600 2.600 1.400 peak 2192 spectrum 1 weight 0.11000E+01 volume 0.13179E-02 ppm1 1.109 ppm2 3.187 CV 1 ASSI { 2193} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 207 and name HE )) 4.700 2.700 1.300 peak 2193 spectrum 1 weight 0.11000E+01 volume 0.69485E-03 ppm1 1.114 ppm2 7.340 CV 1 ASSI { 2194} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 208 and name HA )) 2.500 0.800 0.800 peak 2194 spectrum 1 weight 0.11000E+01 volume 0.36251E-02 ppm1 1.113 ppm2 3.503 CV 1 ASSI { 2195} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 208 and name HB )) 2.200 0.600 0.600 peak 2195 spectrum 1 weight 0.11000E+01 volume 0.70815E-02 ppm1 1.113 ppm2 2.090 CV 1 ASSI { 2196} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 208 and name HG2%) 2.000 0.500 0.500 peak 2196 spectrum 1 weight 0.11000E+01 volume 0.14975E-01 ppm1 1.110 ppm2 1.006 CV 1 ASSI { 2197} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 209 and name HA )) 3.000 1.100 1.100 peak 2197 spectrum 1 weight 0.11000E+01 volume 0.23977E-02 ppm1 1.106 ppm2 3.685 CV 1 ASSI { 2198} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 209 and name HB )) 3.500 1.500 1.500 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.26124E-02 ppm1 1.110 ppm2 2.192 CV 1 ASSI { 2199} ( segid " " and resid 208 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.700 2.700 3.300 peak 2199 spectrum 1 weight 0.11000E+01 volume 0.97174E-02 ppm1 1.114 ppm2 1.222 CV 1 ASSI { 2200} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 211 and name HG2 )) 4.500 2.500 1.500 peak 2200 spectrum 1 weight 0.11000E+01 volume 0.65919E-03 ppm1 1.110 ppm2 2.423 CV 1 ASSI { 2201} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 212 and name HA )) 4.500 2.500 1.500 peak 2201 spectrum 1 weight 0.11000E+01 volume 0.57441E-03 ppm1 1.112 ppm2 4.091 CV 1 ASSI { 2202} ( segid " " and resid 208 and name HG1%) (( segid " " and resid 212 and name HG1 )) 4.000 2.000 2.000 peak 2202 spectrum 1 weight 0.11000E+01 volume 0.87392E-03 ppm1 1.116 ppm2 2.747 CV 1 ASSI { 2203} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 156 and name HB1 )) 3.700 3.700 2.300 peak 2203 spectrum 1 weight 0.11000E+01 volume 0.11288E-02 ppm1 1.074 ppm2 3.216 CV 1 ASSI { 2206} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 205 and name HB1 )) 3.400 3.400 2.600 peak 2206 spectrum 1 weight 0.11000E+01 volume 0.23385E-02 ppm1 1.068 ppm2 1.978 CV 1 ASSI { 2207} ( segid " " and resid 208 and name HG2%) ( segid " " and resid 205 and name HE% ) 2.400 2.400 3.600 peak 2207 spectrum 1 weight 0.11000E+01 volume 0.95208E-03 ppm1 1.068 ppm2 1.498 CV 1 ASSI { 2208} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 208 and name HA )) 2.400 2.400 3.600 peak 2208 spectrum 1 weight 0.11000E+01 volume 0.53909E-02 ppm1 1.072 ppm2 3.560 CV 1 ASSI { 2209} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 209 and name HA )) 3.400 3.400 2.600 peak 2209 spectrum 1 weight 0.11000E+01 volume 0.49188E-02 ppm1 1.068 ppm2 3.656 CV 1 ASSI { 2210} ( segid " " and resid 208 and name HG2%) ( segid " " and resid 209 and name HG1%) 2.700 2.700 3.300 peak 2210 spectrum 1 weight 0.11000E+01 volume 0.16910E-01 ppm1 1.071 ppm2 0.922 CV 1 ASSI { 2211} ( segid " " and resid 208 and name HG2%) (( segid " " and resid 210 and name HG1 )) 3.100 3.100 2.900 peak 2211 spectrum 1 weight 0.11000E+01 volume 0.85565E-02 ppm1 1.067 ppm2 2.139 CV 1 ASSI { 2214} (( segid " " and resid 209 and name HA )) (( segid " " and resid 209 and name HB )) 2.800 1.000 1.000 peak 2214 spectrum 1 weight 0.11000E+01 volume 0.23766E-02 ppm1 3.659 ppm2 2.192 CV 1 ASSI { 2215} (( segid " " and resid 209 and name HA )) ( segid " " and resid 209 and name HG1%) 2.700 0.900 0.900 peak 2215 spectrum 1 weight 0.11000E+01 volume 0.48767E-02 ppm1 3.674 ppm2 0.950 CV 1 ASSI { 2216} (( segid " " and resid 209 and name HA )) ( segid " " and resid 212 and name HE% ) 3.000 1.100 1.100 peak 2216 spectrum 1 weight 0.11000E+01 volume 0.26164E-02 ppm1 3.657 ppm2 2.169 CV 1 ASSI { 2217} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HG1 )) 3.900 1.900 1.900 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.46120E-03 ppm1 3.664 ppm2 2.743 CV 1 ASSI { 2218} (( segid " " and resid 209 and name HA )) (( segid " " and resid 212 and name HG2 )) 4.100 2.100 1.900 peak 2218 spectrum 1 weight 0.11000E+01 volume 0.67947E-03 ppm1 3.657 ppm2 2.487 CV 1 ASSI { 2220} (( segid " " and resid 209 and name HB )) (( segid " " and resid 206 and name HA )) 3.400 1.500 1.500 peak 2220 spectrum 1 weight 0.11000E+01 volume 0.86396E-03 ppm1 2.177 ppm2 3.638 CV 1 ASSI { 2224} (( segid " " and resid 209 and name HB )) (( segid " " and resid 210 and name HN )) 4.400 2.500 1.600 peak 2224 spectrum 1 weight 0.11000E+01 volume 0.21899E-03 ppm1 2.151 ppm2 8.160 CV 1 ASSI { 2226} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 160 and name HG2%) 3.200 1.300 1.300 peak 2226 spectrum 1 weight 0.11000E+01 volume 0.56564E-02 ppm1 0.938 ppm2 0.782 CV 1 ASSI { 2227} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 175 and name HG2%) 3.100 3.100 2.900 peak 2227 spectrum 1 weight 0.11000E+01 volume 0.66756E-02 ppm1 0.937 ppm2 1.066 CV 1 ASSI { 2228} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 178 and name HB2 )) 3.900 3.900 2.100 peak 2228 spectrum 1 weight 0.11000E+01 volume 0.97428E-03 ppm1 0.941 ppm2 3.164 CV 1 ASSI { 2229} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HA )) 3.700 1.700 1.700 peak 2229 spectrum 1 weight 0.11000E+01 volume 0.97812E-03 ppm1 0.938 ppm2 3.448 CV 1 ASSI { 2231} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 205 and name HG2 )) 2.800 1.000 1.000 peak 2231 spectrum 1 weight 0.11000E+01 volume 0.32449E-02 ppm1 0.940 ppm2 1.992 CV 1 ASSI { 2232} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HA )) 2.600 0.800 0.800 peak 2232 spectrum 1 weight 0.11000E+01 volume 0.37506E-02 ppm1 0.931 ppm2 3.641 CV 1 ASSI { 2233} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 206 and name HG2 )) 3.300 1.300 1.300 peak 2233 spectrum 1 weight 0.11000E+01 volume 0.42619E-02 ppm1 0.940 ppm2 2.136 CV 1 ASSI { 2234} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 208 and name HN )) 4.300 2.300 1.700 peak 2234 spectrum 1 weight 0.11000E+01 volume 0.42851E-03 ppm1 0.948 ppm2 8.284 CV 1 ASSI { 2236} ( segid " " and resid 209 and name HG1%) (( segid " " and resid 209 and name HB )) 2.400 0.700 0.700 peak 2236 spectrum 1 weight 0.11000E+01 volume 0.48105E-02 ppm1 0.939 ppm2 2.171 CV 1 ASSI { 2237} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 209 and name HG2%) 2.400 0.700 0.700 peak 2237 spectrum 1 weight 0.11000E+01 volume 0.63921E-02 ppm1 0.939 ppm2 1.218 CV 1 ASSI { 2238} ( segid " " and resid 209 and name HG1%) ( segid " " and resid 212 and name HE% ) 3.100 3.100 2.900 peak 2238 spectrum 1 weight 0.11000E+01 volume 0.40510E-02 ppm1 0.937 ppm2 2.196 CV 1 ASSI { 2239} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 133 and name HE% ) 3.600 1.600 1.600 peak 2239 spectrum 1 weight 0.11000E+01 volume 0.83624E-03 ppm1 1.233 ppm2 1.928 CV 1 ASSI { 2242} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 182 and name HB )) 3.000 1.100 1.100 peak 2242 spectrum 1 weight 0.11000E+01 volume 0.24504E-02 ppm1 1.217 ppm2 4.504 CV 1 ASSI { 2244} ( segid " " and resid 209 and name HG2%) ( segid " " and resid 205 and name HE% ) 1.900 1.900 4.100 peak 2244 spectrum 1 weight 0.11000E+01 volume 0.38508E-02 ppm1 1.221 ppm2 1.484 CV 1 ASSI { 2245} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HA )) 2.500 0.800 0.800 peak 2245 spectrum 1 weight 0.11000E+01 volume 0.46201E-02 ppm1 1.220 ppm2 3.668 CV 1 ASSI { 2246} ( segid " " and resid 209 and name HG2%) (( segid " " and resid 209 and name HB )) 2.500 0.800 0.800 peak 2246 spectrum 1 weight 0.11000E+01 volume 0.39354E-02 ppm1 1.215 ppm2 2.164 CV 1 ASSI { 2250} (( segid " " and resid 210 and name HA )) (( segid " " and resid 207 and name HA )) 4.600 2.600 1.400 peak 2250 spectrum 1 weight 0.11000E+01 volume 0.70015E-03 ppm1 3.564 ppm2 4.153 CV 1 ASSI { 2251} (( segid " " and resid 210 and name HA )) (( segid " " and resid 211 and name HA )) 3.600 1.600 1.600 peak 2251 spectrum 1 weight 0.11000E+01 volume 0.79643E-03 ppm1 3.548 ppm2 3.979 CV 1 ASSI { 2252} (( segid " " and resid 210 and name HA )) (( segid " " and resid 213 and name HB2 )) 3.100 1.200 1.200 peak 2252 spectrum 1 weight 0.11000E+01 volume 0.11889E-02 ppm1 3.556 ppm2 2.881 CV 1 ASSI { 2254} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 209 and name HA )) 5.000 3.100 1.000 peak 2254 spectrum 1 weight 0.11000E+01 volume 0.34236E-03 ppm1 2.152 ppm2 3.655 CV 1 ASSI { 2256} (( segid " " and resid 210 and name HB1 )) (( segid " " and resid 213 and name HN )) 4.500 2.500 1.500 peak 2256 spectrum 1 weight 0.11000E+01 volume 0.61009E-03 ppm1 2.159 ppm2 9.245 CV 1 ASSI { 2257} (( segid " " and resid 210 and name HG2 )) (( segid " " and resid 207 and name HB2 )) 3.700 3.700 2.300 peak 2257 spectrum 1 weight 0.11000E+01 volume 0.16414E-02 ppm1 2.328 ppm2 1.868 CV 1 ASSI { 2258} (( segid " " and resid 210 and name HG2 )) (( segid " " and resid 211 and name HG1 )) 4.100 2.100 1.900 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.12234E-02 ppm1 2.328 ppm2 2.497 CV 1 ASSI { 2259} (( segid " " and resid 210 and name HG2 )) (( segid " " and resid 214 and name HB )) 3.000 3.000 3.000 peak 2259 spectrum 1 weight 0.11000E+01 volume 0.97515E-02 ppm1 2.329 ppm2 1.986 CV 1 ASSI { 2260} (( segid " " and resid 211 and name HA )) (( segid " " and resid 176 and name HN )) 4.500 4.500 1.500 peak 2260 spectrum 1 weight 0.11000E+01 volume 0.78436E-03 ppm1 3.975 ppm2 8.392 CV 1 ASSI { 2261} (( segid " " and resid 211 and name HA )) ( segid " " and resid 179 and name HG1%) 4.500 2.500 1.500 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.60998E-03 ppm1 3.965 ppm2 1.056 CV 1 ASSI { 2262} (( segid " " and resid 211 and name HA )) (( segid " " and resid 207 and name HA )) 4.600 2.700 1.400 peak 2262 spectrum 1 weight 0.11000E+01 volume 0.57720E-03 ppm1 3.981 ppm2 4.149 CV 1 ASSI { 2263} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB1 )) 2.700 0.900 0.900 peak 2263 spectrum 1 weight 0.11000E+01 volume 0.29359E-02 ppm1 3.969 ppm2 2.179 CV 1 ASSI { 2264} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HB2 )) 2.800 1.000 1.000 peak 2264 spectrum 1 weight 0.11000E+01 volume 0.23536E-02 ppm1 3.969 ppm2 2.222 CV 1 ASSI { 2266} (( segid " " and resid 211 and name HA )) (( segid " " and resid 211 and name HG2 )) 4.100 2.100 1.900 peak 2266 spectrum 1 weight 0.11000E+01 volume 0.12512E-02 ppm1 3.969 ppm2 2.402 CV 1 ASSI { 2267} (( segid " " and resid 211 and name HA )) (( segid " " and resid 214 and name HB )) 2.500 0.800 0.800 peak 2267 spectrum 1 weight 0.11000E+01 volume 0.24992E-02 ppm1 3.969 ppm2 1.990 CV 1 ASSI { 2268} (( segid " " and resid 211 and name HA )) ( segid " " and resid 214 and name HG2%) 3.300 1.300 1.300 peak 2268 spectrum 1 weight 0.11000E+01 volume 0.25864E-02 ppm1 3.970 ppm2 0.830 CV 1 ASSI { 2270} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 138 and name HG11)) 3.500 3.500 2.500 peak 2270 spectrum 1 weight 0.11000E+01 volume 0.18108E-02 ppm1 2.499 ppm2 0.746 CV 1 ASSI { 2271} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 207 and name HA )) 3.300 3.300 2.700 peak 2271 spectrum 1 weight 0.11000E+01 volume 0.33794E-02 ppm1 2.496 ppm2 4.180 CV 1 ASSI { 2272} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 207 and name HG2 )) 4.200 2.200 1.800 peak 2272 spectrum 1 weight 0.11000E+01 volume 0.11294E-02 ppm1 2.485 ppm2 1.781 CV 1 ASSI { 2273} (( segid " " and resid 211 and name HG1 )) ( segid " " and resid 208 and name HG2%) 6.000 5.400 0.000 peak 2273 spectrum 1 weight 0.11000E+01 volume 0.68778E-04 ppm1 2.490 ppm2 1.021 CV 1 ASSI { 2274} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 210 and name HB1 )) 2.600 2.600 3.400 peak 2274 spectrum 1 weight 0.11000E+01 volume 0.22745E-01 ppm1 2.497 ppm2 2.170 CV 1 ASSI { 2275} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 211 and name HA )) 3.000 1.100 1.100 peak 2275 spectrum 1 weight 0.11000E+01 volume 0.39347E-02 ppm1 2.490 ppm2 3.936 CV 1 ASSI { 2276} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 211 and name HB1 )) 2.100 0.600 0.600 peak 2276 spectrum 1 weight 0.11000E+01 volume 0.22745E-01 ppm1 2.497 ppm2 2.170 CV 1 ASSI { 2277} (( segid " " and resid 211 and name HG1 )) ( segid " " and resid 214 and name HD1%) 4.200 2.200 1.800 peak 2277 spectrum 1 weight 0.11000E+01 volume 0.11384E-02 ppm1 2.494 ppm2 0.797 CV 1 ASSI { 2278} (( segid " " and resid 211 and name HG1 )) (( segid " " and resid 215 and name HG1 )) 3.500 1.500 1.500 peak 2278 spectrum 1 weight 0.11000E+01 volume 0.13240E-02 ppm1 2.475 ppm2 1.239 CV 1 ASSI { 2280} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HB1 )) 2.800 1.000 1.000 peak 2280 spectrum 1 weight 0.11000E+01 volume 0.20729E-02 ppm1 4.116 ppm2 2.182 CV 1 ASSI { 2281} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HG1 )) 3.700 1.700 1.700 peak 2281 spectrum 1 weight 0.11000E+01 volume 0.95762E-03 ppm1 4.115 ppm2 2.747 CV 1 ASSI { 2282} (( segid " " and resid 212 and name HA )) (( segid " " and resid 212 and name HG2 )) 2.900 1.100 1.100 peak 2282 spectrum 1 weight 0.11000E+01 volume 0.13500E-02 ppm1 4.120 ppm2 2.483 CV 1 ASSI { 2283} (( segid " " and resid 212 and name HA )) (( segid " " and resid 215 and name HB )) 2.900 1.100 1.100 peak 2283 spectrum 1 weight 0.11000E+01 volume 0.17658E-02 ppm1 4.116 ppm2 4.313 CV 1 ASSI { 2285} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 131 and name HB2 )) 3.800 3.800 2.200 peak 2285 spectrum 1 weight 0.11000E+01 volume 0.15804E-02 ppm1 2.184 ppm2 3.910 CV 1 ASSI { 2287} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 212 and name HB2 )) 1.500 1.500 4.500 peak 2287 spectrum 1 weight 0.11000E+01 volume 0.26322E-01 ppm1 2.189 ppm2 2.330 CV 1 ASSI { 2288} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 213 and name HN )) 3.300 3.300 2.700 peak 2288 spectrum 1 weight 0.11000E+01 volume 0.70568E-03 ppm1 2.180 ppm2 9.268 CV 1 ASSI { 2289} (( segid " " and resid 212 and name HB1 )) (( segid " " and resid 216 and name HN )) 3.300 3.300 2.700 peak 2289 spectrum 1 weight 0.11000E+01 volume 0.23721E-02 ppm1 2.183 ppm2 8.723 CV 1 ASSI { 2290} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 212 and name HA )) 2.500 2.500 3.500 peak 2290 spectrum 1 weight 0.11000E+01 volume 0.26129E-02 ppm1 2.321 ppm2 4.055 CV 1 ASSI { 2292} (( segid " " and resid 212 and name HB2 )) (( segid " " and resid 214 and name HB )) 2.900 2.900 3.100 peak 2292 spectrum 1 weight 0.11000E+01 volume 0.97515E-02 ppm1 2.329 ppm2 1.986 CV 1 ASSI { 2293} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 133 and name HA )) 4.200 2.200 1.800 peak 2293 spectrum 1 weight 0.11000E+01 volume 0.17576E-02 ppm1 2.182 ppm2 4.747 CV 1 ASSI { 2295} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 135 and name HD1 )) 2.600 2.600 3.400 peak 2295 spectrum 1 weight 0.11000E+01 volume 0.52750E-03 ppm1 2.188 ppm2 3.088 CV 1 ASSI { 2296} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 135 and name HG1 )) 2.100 2.100 3.900 peak 2296 spectrum 1 weight 0.11000E+01 volume 0.18622E-02 ppm1 2.182 ppm2 1.629 CV 1 OR { 2296} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 135 and name HG2 )) ASSI { 2297} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 136 and name HD1 )) 4.100 2.100 1.900 peak 2297 spectrum 1 weight 0.11000E+01 volume 0.14768E-02 ppm1 2.176 ppm2 3.876 CV 1 ASSI { 2299} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 159 and name HA )) 2.900 1.000 1.000 peak 2299 spectrum 1 weight 0.11000E+01 volume 0.17318E-02 ppm1 2.182 ppm2 4.572 CV 1 ASSI { 2300} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 160 and name HA )) 4.200 2.200 1.800 peak 2300 spectrum 1 weight 0.11000E+01 volume 0.51206E-03 ppm1 2.193 ppm2 4.922 CV 1 ASSI { 2301} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 160 and name HB )) 3.500 1.500 1.500 peak 2301 spectrum 1 weight 0.11000E+01 volume 0.33700E-02 ppm1 2.180 ppm2 2.610 CV 1 ASSI { 2302} ( segid " " and resid 212 and name HE% ) ( segid " " and resid 160 and name HG2%) 2.500 0.800 0.800 peak 2302 spectrum 1 weight 0.11000E+01 volume 0.40979E-02 ppm1 2.181 ppm2 0.765 CV 1 ASSI { 2303} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 182 and name HG1 )) 4.200 2.200 1.800 peak 2303 spectrum 1 weight 0.11000E+01 volume 0.13039E-02 ppm1 2.183 ppm2 1.482 CV 1 ASSI { 2306} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 211 and name HG1 )) 2.900 2.900 3.100 peak 2306 spectrum 1 weight 0.11000E+01 volume 0.98931E-02 ppm1 2.182 ppm2 2.465 CV 1 ASSI { 2307} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HA )) 3.100 1.200 1.200 peak 2307 spectrum 1 weight 0.11000E+01 volume 0.33043E-02 ppm1 2.181 ppm2 4.112 CV 1 ASSI { 2308} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HB2 )) 2.400 0.700 0.700 peak 2308 spectrum 1 weight 0.11000E+01 volume 0.11521E-01 ppm1 2.182 ppm2 2.334 CV 1 ASSI { 2309} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 212 and name HG1 )) 3.100 1.200 1.200 peak 2309 spectrum 1 weight 0.11000E+01 volume 0.18468E-02 ppm1 2.182 ppm2 2.723 CV 1 ASSI { 2312} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HA )) 3.000 3.000 3.000 peak 2312 spectrum 1 weight 0.11000E+01 volume 0.36173E-02 ppm1 2.182 ppm2 3.673 CV 1 ASSI { 2313} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HB1 )) 2.600 2.600 3.400 peak 2313 spectrum 1 weight 0.11000E+01 volume 0.92735E-02 ppm1 2.177 ppm2 2.335 CV 1 ASSI { 2314} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HG1 )) 3.400 1.500 1.500 peak 2314 spectrum 1 weight 0.11000E+01 volume 0.18064E-02 ppm1 2.181 ppm2 1.662 CV 1 ASSI { 2315} ( segid " " and resid 212 and name HE% ) (( segid " " and resid 216 and name HN )) 3.000 1.100 1.100 peak 2315 spectrum 1 weight 0.11000E+01 volume 0.23721E-02 ppm1 2.183 ppm2 8.721 CV 1 ASSI { 2318} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 212 and name HB1 )) 3.000 1.100 1.100 peak 2318 spectrum 1 weight 0.11000E+01 volume 0.13477E-02 ppm1 2.735 ppm2 2.178 CV 1 ASSI { 2319} (( segid " " and resid 212 and name HG1 )) (( segid " " and resid 212 and name HG2 )) 2.500 0.800 0.800 peak 2319 spectrum 1 weight 0.11000E+01 volume 0.16582E-02 ppm1 2.737 ppm2 2.493 CV 1 ASSI { 2321} (( segid " " and resid 212 and name HG2 )) (( segid " " and resid 212 and name HB2 )) 3.500 1.600 1.600 peak 2321 spectrum 1 weight 0.11000E+01 volume 0.54802E-03 ppm1 2.516 ppm2 2.305 CV 1 ASSI { 2324} (( segid " " and resid 213 and name HA )) (( segid " " and resid 209 and name HA )) 4.300 2.300 1.700 peak 2324 spectrum 1 weight 0.11000E+01 volume 0.60879E-03 ppm1 4.365 ppm2 3.679 CV 1 ASSI { 2325} (( segid " " and resid 213 and name HA )) ( segid " " and resid 209 and name HG1%) 4.300 2.300 1.700 peak 2325 spectrum 1 weight 0.11000E+01 volume 0.11093E-02 ppm1 4.373 ppm2 0.964 CV 1 ASSI { 2326} (( segid " " and resid 213 and name HA )) (( segid " " and resid 213 and name HB1 )) 3.400 1.400 1.400 peak 2326 spectrum 1 weight 0.11000E+01 volume 0.10737E-02 ppm1 4.373 ppm2 3.543 CV 1 ASSI { 2327} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HA )) 4.700 2.800 1.300 peak 2327 spectrum 1 weight 0.11000E+01 volume 0.33785E-03 ppm1 4.387 ppm2 3.695 CV 1 ASSI { 2328} (( segid " " and resid 213 and name HA )) (( segid " " and resid 216 and name HB1 )) 4.000 2.000 2.000 peak 2328 spectrum 1 weight 0.11000E+01 volume 0.57905E-03 ppm1 4.378 ppm2 2.313 CV 1 ASSI { 2329} (( segid " " and resid 213 and name HB1 )) ( segid " " and resid 179 and name HG1%) 3.400 1.400 1.400 peak 2329 spectrum 1 weight 0.11000E+01 volume 0.91282E-03 ppm1 3.557 ppm2 1.056 CV 1 ASSI { 2330} (( segid " " and resid 213 and name HB1 )) ( segid " " and resid 209 and name HG1%) 4.500 2.500 1.500 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.65524E-03 ppm1 3.548 ppm2 0.932 CV 1 ASSI { 2332} (( segid " " and resid 213 and name HB1 )) (( segid " " and resid 213 and name HB2 )) 2.400 0.700 0.700 peak 2332 spectrum 1 weight 0.11000E+01 volume 0.85507E-03 ppm1 3.558 ppm2 2.859 CV 1 ASSI { 2334} (( segid " " and resid 213 and name HB2 )) (( segid " " and resid 213 and name HA )) 3.900 3.900 2.100 peak 2334 spectrum 1 weight 0.11000E+01 volume 0.22263E-03 ppm1 2.844 ppm2 4.407 CV 1 ASSI { 2337} (( segid " " and resid 214 and name HA )) (( segid " " and resid 176 and name HN )) 5.100 3.300 0.900 peak 2337 spectrum 1 weight 0.11000E+01 volume 0.96015E-03 ppm1 3.467 ppm2 8.380 CV 1 ASSI { 2338} (( segid " " and resid 214 and name HA )) (( segid " " and resid 214 and name HB )) 2.900 1.000 1.000 peak 2338 spectrum 1 weight 0.11000E+01 volume 0.14128E-02 ppm1 3.464 ppm2 1.969 CV 1 ASSI { 2339} (( segid " " and resid 214 and name HA )) ( segid " " and resid 214 and name HG2%) 2.700 0.900 0.900 peak 2339 spectrum 1 weight 0.11000E+01 volume 0.35651E-02 ppm1 3.464 ppm2 0.843 CV 1 ASSI { 2340} (( segid " " and resid 214 and name HA )) (( segid " " and resid 217 and name HA )) 4.500 2.500 1.500 peak 2340 spectrum 1 weight 0.11000E+01 volume 0.71308E-03 ppm1 3.475 ppm2 2.949 CV 1 ASSI { 2341} (( segid " " and resid 214 and name HB )) (( segid " " and resid 176 and name HN )) 5.000 3.100 1.000 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.70676E-03 ppm1 1.958 ppm2 8.397 CV 1 ASSI { 2345} (( segid " " and resid 214 and name HB )) (( segid " " and resid 217 and name HB2 )) 4.500 2.500 1.500 peak 2345 spectrum 1 weight 0.11000E+01 volume 0.70128E-03 ppm1 1.954 ppm2 2.120 CV 1 ASSI { 2346} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 173 and name HN )) 2.200 2.200 3.800 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.14296E-02 ppm1 0.826 ppm2 8.403 CV 1 ASSI { 2347} ( segid " " and resid 214 and name HD1%) ( segid " " and resid 175 and name HG2%) 3.800 1.800 1.800 peak 2347 spectrum 1 weight 0.11000E+01 volume 0.37186E-02 ppm1 0.830 ppm2 1.077 CV 1 ASSI { 2348} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 210 and name HB1 )) 2.100 2.100 3.900 peak 2348 spectrum 1 weight 0.11000E+01 volume 0.23604E-02 ppm1 0.829 ppm2 2.162 CV 1 ASSI { 2349} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 211 and name HA )) 2.900 1.000 1.000 peak 2349 spectrum 1 weight 0.11000E+01 volume 0.24359E-02 ppm1 0.827 ppm2 3.966 CV 1 ASSI { 2351} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 214 and name HA )) 3.900 1.900 1.900 peak 2351 spectrum 1 weight 0.11000E+01 volume 0.16083E-02 ppm1 0.826 ppm2 3.470 CV 1 ASSI { 2352} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 214 and name HB )) 2.300 0.700 0.700 peak 2352 spectrum 1 weight 0.11000E+01 volume 0.75937E-02 ppm1 0.828 ppm2 1.993 CV 1 ASSI { 2353} ( segid " " and resid 214 and name HD1%) (( segid " " and resid 217 and name HB2 )) 3.800 1.800 1.800 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.32331E-02 ppm1 0.828 ppm2 2.101 CV 1 ASSI { 2354} (( segid " " and resid 214 and name HG11)) (( segid " " and resid 214 and name HG12)) 1.900 0.500 0.500 peak 2354 spectrum 1 weight 0.11000E+01 volume 0.42897E-02 ppm1 1.557 ppm2 1.298 CV 1 ASSI { 2355} ( segid " " and resid 202 and name HG2%) (( segid " " and resid 199 and name HA )) 3.700 1.700 1.700 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.27921E-02 ppm1 0.842 ppm2 4.054 CV 1 ASSI { 2357} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 176 and name HN )) 4.800 4.800 1.200 peak 2357 spectrum 1 weight 0.11000E+01 volume 0.15141E-02 ppm1 0.858 ppm2 8.404 CV 1 ASSI { 2359} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 212 and name HB2 )) 4.500 2.600 1.500 peak 2359 spectrum 1 weight 0.11000E+01 volume 0.92054E-03 ppm1 0.851 ppm2 2.298 CV 1 ASSI { 2361} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 214 and name HB )) 2.100 0.500 0.500 peak 2361 spectrum 1 weight 0.11000E+01 volume 0.11072E-01 ppm1 0.848 ppm2 1.960 CV 1 ASSI { 2362} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 214 and name HG11)) 3.200 1.300 1.300 peak 2362 spectrum 1 weight 0.11000E+01 volume 0.41627E-02 ppm1 0.842 ppm2 1.552 CV 1 ASSI { 2363} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 214 and name HG12)) 2.600 0.800 0.800 peak 2363 spectrum 1 weight 0.11000E+01 volume 0.34601E-02 ppm1 0.841 ppm2 1.295 CV 1 ASSI { 2364} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 217 and name HA )) 4.900 3.000 1.100 peak 2364 spectrum 1 weight 0.11000E+01 volume 0.47223E-03 ppm1 0.862 ppm2 2.967 CV 1 ASSI { 2366} ( segid " " and resid 214 and name HG2%) (( segid " " and resid 218 and name HG1 )) 4.000 2.000 2.000 peak 2366 spectrum 1 weight 0.11000E+01 volume 0.15153E-02 ppm1 0.862 ppm2 2.720 CV 1 ASSI { 2367} (( segid " " and resid 215 and name HA )) ( segid " " and resid 214 and name HG2%) 3.900 1.900 1.900 peak 2367 spectrum 1 weight 0.11000E+01 volume 0.45060E-03 ppm1 3.887 ppm2 0.858 CV 1 ASSI { 2369} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB1 )) 4.100 2.100 1.900 peak 2369 spectrum 1 weight 0.11000E+01 volume 0.11130E-02 ppm1 3.886 ppm2 2.342 CV 1 ASSI { 2370} (( segid " " and resid 215 and name HA )) (( segid " " and resid 218 and name HB2 )) 4.800 2.900 1.200 peak 2370 spectrum 1 weight 0.11000E+01 volume 0.84951E-03 ppm1 3.880 ppm2 2.078 CV 1 ASSI { 2372} (( segid " " and resid 215 and name HB )) ( segid " " and resid 212 and name HE% ) 3.400 1.500 1.500 peak 2372 spectrum 1 weight 0.11000E+01 volume 0.13466E-02 ppm1 4.308 ppm2 2.173 CV 1 ASSI { 2375} (( segid " " and resid 215 and name HG1 )) ( segid " " and resid 175 and name HG1%) 3.600 3.600 2.400 peak 2375 spectrum 1 weight 0.11000E+01 volume 0.42267E-02 ppm1 1.237 ppm2 1.059 CV 1 ASSI { 2377} (( segid " " and resid 215 and name HG1 )) (( segid " " and resid 212 and name HA )) 2.600 0.800 0.800 peak 2377 spectrum 1 weight 0.11000E+01 volume 0.16174E-02 ppm1 1.236 ppm2 4.141 CV 1 ASSI { 2378} (( segid " " and resid 215 and name HG1 )) ( segid " " and resid 212 and name HE% ) 3.300 1.300 1.300 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.50555E-02 ppm1 1.237 ppm2 2.174 CV 1 OR { 2378} ( segid " " and resid 215 and name HG2%) ( segid " " and resid 212 and name HE% ) ASSI { 2379} (( segid " " and resid 215 and name HG1 )) (( segid " " and resid 214 and name HG12)) 2.900 2.900 3.100 peak 2379 spectrum 1 weight 0.11000E+01 volume 0.13388E-01 ppm1 1.240 ppm2 1.311 CV 1 OR { 2379} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 214 and name HG12)) ASSI { 2380} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HA )) 2.700 0.900 0.900 peak 2380 spectrum 1 weight 0.11000E+01 volume 0.41567E-02 ppm1 1.237 ppm2 3.882 CV 1 OR { 2380} (( segid " " and resid 215 and name HG1 )) (( segid " " and resid 215 and name HA )) ASSI { 2381} (( segid " " and resid 215 and name HG1 )) (( segid " " and resid 215 and name HB )) 2.400 0.700 0.700 peak 2381 spectrum 1 weight 0.11000E+01 volume 0.60489E-02 ppm1 1.236 ppm2 4.298 CV 1 OR { 2381} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 215 and name HB )) ASSI { 2382} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 216 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.11000E+01 volume 0.91794E-03 ppm1 1.234 ppm2 3.688 CV 1 ASSI { 2384} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HB2 )) 3.900 1.900 1.900 peak 2384 spectrum 1 weight 0.11000E+01 volume 0.18415E-02 ppm1 1.229 ppm2 2.091 CV 1 ASSI { 2385} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 218 and name HG2 )) 3.300 1.400 1.400 peak 2385 spectrum 1 weight 0.11000E+01 volume 0.19781E-02 ppm1 1.236 ppm2 2.504 CV 1 ASSI { 2386} ( segid " " and resid 215 and name HG2%) (( segid " " and resid 219 and name HG1 )) 3.900 1.900 1.900 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.16131E-02 ppm1 1.234 ppm2 2.352 CV 1 ASSI { 2387} (( segid " " and resid 216 and name HA )) ( segid " " and resid 214 and name HG2%) 5.600 5.600 0.400 peak 2387 spectrum 1 weight 0.11000E+01 volume 0.11762E-03 ppm1 3.683 ppm2 0.809 CV 1 ASSI { 2389} (( segid " " and resid 216 and name HA )) (( segid " " and resid 216 and name HG1 )) 3.400 1.400 1.400 peak 2389 spectrum 1 weight 0.11000E+01 volume 0.82214E-03 ppm1 3.679 ppm2 1.617 CV 1 ASSI { 2391} (( segid " " and resid 216 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.400 3.400 2.600 peak 2391 spectrum 1 weight 0.11000E+01 volume 0.29780E-02 ppm1 3.684 ppm2 2.113 CV 1 ASSI { 2392} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HB1 )) 2.200 0.600 0.600 peak 2392 spectrum 1 weight 0.11000E+01 volume 0.29780E-02 ppm1 3.685 ppm2 2.110 CV 1 ASSI { 2393} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HG1 )) 4.500 2.500 1.500 peak 2393 spectrum 1 weight 0.11000E+01 volume 0.18957E-02 ppm1 3.681 ppm2 2.326 CV 1 ASSI { 2394} (( segid " " and resid 216 and name HA )) (( segid " " and resid 219 and name HG2 )) 4.200 2.200 1.800 peak 2394 spectrum 1 weight 0.11000E+01 volume 0.96042E-03 ppm1 3.679 ppm2 2.452 CV 1 ASSI { 2396} (( segid " " and resid 217 and name HA )) ( segid " " and resid 165 and name HG1%) 3.600 1.600 1.600 peak 2396 spectrum 1 weight 0.11000E+01 volume 0.74065E-03 ppm1 2.934 ppm2 0.857 CV 1 ASSI { 2397} (( segid " " and resid 217 and name HA )) (( segid " " and resid 166 and name HB2 )) 3.700 3.700 2.300 peak 2397 spectrum 1 weight 0.11000E+01 volume 0.13309E-02 ppm1 2.922 ppm2 2.691 CV 1 ASSI { 2398} (( segid " " and resid 217 and name HA )) (( segid " " and resid 217 and name HB2 )) 3.300 1.300 1.300 peak 2398 spectrum 1 weight 0.11000E+01 volume 0.70524E-03 ppm1 2.940 ppm2 2.153 CV 1 ASSI { 2399} (( segid " " and resid 217 and name HA )) ( segid " " and resid 217 and name HD% ) 3.600 1.600 1.600 peak 2399 spectrum 1 weight 0.11000E+01 volume 0.87585E-03 ppm1 2.927 ppm2 6.169 CV 1 ASSI { 2400} (( segid " " and resid 217 and name HB1 )) ( segid " " and resid 214 and name HG2%) 3.300 1.400 1.400 peak 2400 spectrum 1 weight 0.11000E+01 volume 0.11667E-02 ppm1 2.565 ppm2 0.853 CV 1 ASSI { 2401} (( segid " " and resid 217 and name HB1 )) (( segid " " and resid 217 and name HB2 )) 1.900 0.400 0.400 peak 2401 spectrum 1 weight 0.11000E+01 volume 0.71065E-02 ppm1 2.570 ppm2 2.122 CV 1 ASSI { 2404} (( segid " " and resid 218 and name HA )) (( segid " " and resid 218 and name HG1 )) 3.700 1.700 1.700 peak 2404 spectrum 1 weight 0.11000E+01 volume 0.15406E-02 ppm1 3.758 ppm2 2.735 CV 1 ASSI { 2405} (( segid " " and resid 218 and name HA )) (( segid " " and resid 218 and name HG2 )) 3.600 1.600 1.600 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.20486E-02 ppm1 3.750 ppm2 2.480 CV 1 ASSI { 2406} (( segid " " and resid 218 and name HA )) (( segid " " and resid 219 and name HB1 )) 3.500 3.500 2.500 peak 2406 spectrum 1 weight 0.11000E+01 volume 0.26862E-02 ppm1 3.751 ppm2 2.080 CV 1 ASSI { 2407} (( segid " " and resid 218 and name HA )) (( segid " " and resid 221 and name HB2 )) 3.500 1.600 1.600 peak 2407 spectrum 1 weight 0.11000E+01 volume 0.63695E-03 ppm1 3.754 ppm2 3.368 CV 1 ASSI { 2409} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HA )) 3.100 1.200 1.200 peak 2409 spectrum 1 weight 0.11000E+01 volume 0.13552E-02 ppm1 2.336 ppm2 3.746 CV 1 ASSI { 2410} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HG1 )) 3.700 1.700 1.700 peak 2410 spectrum 1 weight 0.11000E+01 volume 0.99313E-03 ppm1 2.336 ppm2 2.721 CV 1 ASSI { 2411} (( segid " " and resid 218 and name HB1 )) (( segid " " and resid 218 and name HG2 )) 2.600 0.900 0.900 peak 2411 spectrum 1 weight 0.11000E+01 volume 0.26595E-02 ppm1 2.324 ppm2 2.467 CV 1 ASSI { 2412} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HA )) 3.100 1.200 1.200 peak 2412 spectrum 1 weight 0.11000E+01 volume 0.15179E-02 ppm1 2.087 ppm2 3.732 CV 1 ASSI { 2413} (( segid " " and resid 218 and name HB2 )) (( segid " " and resid 218 and name HG1 )) 3.000 1.100 1.100 peak 2413 spectrum 1 weight 0.11000E+01 volume 0.14044E-02 ppm1 2.090 ppm2 2.728 CV 1 ASSI { 2415} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 218 and name HG2 )) 1.900 0.400 0.400 peak 2415 spectrum 1 weight 0.11000E+01 volume 0.89414E-02 ppm1 2.719 ppm2 2.489 CV 1 ASSI { 2416} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 219 and name HB1 )) 3.600 1.600 1.600 peak 2416 spectrum 1 weight 0.11000E+01 volume 0.18696E-02 ppm1 2.718 ppm2 2.086 CV 1 ASSI { 2417} (( segid " " and resid 218 and name HG1 )) (( segid " " and resid 221 and name HB2 )) 5.300 3.600 0.700 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.33422E-03 ppm1 2.715 ppm2 3.382 CV 1 ASSI { 2420} (( segid " " and resid 218 and name HG2 )) (( segid " " and resid 219 and name HA )) 3.600 1.700 1.700 peak 2420 spectrum 1 weight 0.11000E+01 volume 0.26816E-02 ppm1 2.477 ppm2 4.007 CV 1 ASSI { 2421} (( segid " " and resid 219 and name HA )) (( segid " " and resid 216 and name HA )) 5.700 4.000 0.300 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.48179E-03 ppm1 4.003 ppm2 3.684 CV 1 ASSI { 2422} (( segid " " and resid 219 and name HA )) (( segid " " and resid 218 and name HA )) 3.900 1.900 1.900 peak 2422 spectrum 1 weight 0.11000E+01 volume 0.67090E-03 ppm1 4.001 ppm2 3.732 CV 1 ASSI { 2424} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HB1 )) 2.600 0.900 0.900 peak 2424 spectrum 1 weight 0.11000E+01 volume 0.72106E-02 ppm1 4.008 ppm2 2.118 CV 1 ASSI { 2425} (( segid " " and resid 219 and name HA )) (( segid " " and resid 219 and name HG1 )) 3.000 1.100 1.100 peak 2425 spectrum 1 weight 0.11000E+01 volume 0.18635E-02 ppm1 4.008 ppm2 2.317 CV 1 ASSI { 2431} (( segid " " and resid 219 and name HG2 )) (( segid " " and resid 219 and name HA )) 3.500 1.500 1.500 peak 2431 spectrum 1 weight 0.11000E+01 volume 0.26816E-02 ppm1 2.477 ppm2 4.007 CV 1 ASSI { 2432} (( segid " " and resid 220 and name HA )) ( segid " " and resid 165 and name HG1%) 4.900 3.000 1.100 peak 2432 spectrum 1 weight 0.11000E+01 volume 0.36746E-03 ppm1 4.054 ppm2 0.872 CV 1 ASSI { 2433} (( segid " " and resid 220 and name HA )) (( segid " " and resid 219 and name HG1 )) 3.500 3.500 2.500 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.13098E-02 ppm1 4.060 ppm2 2.327 CV 1 ASSI { 2434} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB1 )) 2.500 0.800 0.800 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.55887E-02 ppm1 4.091 ppm2 2.164 CV 1 ASSI { 2435} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HB2 )) 2.400 0.700 0.700 peak 2435 spectrum 1 weight 0.11000E+01 volume 0.64264E-02 ppm1 4.094 ppm2 1.886 CV 1 ASSI { 2436} (( segid " " and resid 220 and name HA )) (( segid " " and resid 220 and name HG2 )) 2.800 1.000 1.000 peak 2436 spectrum 1 weight 0.11000E+01 volume 0.26778E-02 ppm1 4.090 ppm2 2.409 CV 1 ASSI { 2438} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 216 and name HA )) 4.700 2.800 1.300 peak 2438 spectrum 1 weight 0.11000E+01 volume 0.82419E-03 ppm1 2.190 ppm2 3.676 CV 1 ASSI { 2439} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 216 and name HG1 )) 3.800 1.800 1.800 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.17045E-02 ppm1 2.175 ppm2 1.657 CV 1 ASSI { 2440} (( segid " " and resid 220 and name HB1 )) (( segid " " and resid 220 and name HB2 )) 1.900 0.400 0.400 peak 2440 spectrum 1 weight 0.11000E+01 volume 0.83110E-02 ppm1 2.158 ppm2 1.876 CV 1 ASSI { 2441} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 216 and name HA )) 3.900 3.900 2.100 peak 2441 spectrum 1 weight 0.11000E+01 volume 0.64708E-03 ppm1 1.892 ppm2 3.687 CV 1 ASSI { 2442} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 218 and name HA )) 4.400 2.400 1.600 peak 2442 spectrum 1 weight 0.11000E+01 volume 0.56523E-03 ppm1 1.905 ppm2 3.727 CV 1 ASSI { 2444} (( segid " " and resid 220 and name HB2 )) (( segid " " and resid 220 and name HG1 )) 2.500 0.800 0.800 peak 2444 spectrum 1 weight 0.11000E+01 volume 0.65446E-02 ppm1 1.891 ppm2 2.192 CV 1 ASSI { 2449} (( segid " " and resid 220 and name HG2 )) ( segid " " and resid 165 and name HG1%) 4.700 4.700 1.300 peak 2449 spectrum 1 weight 0.11000E+01 volume 0.51307E-03 ppm1 2.398 ppm2 0.813 CV 1 ASSI { 2450} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 174 and name HZ )) 2.900 2.900 3.100 peak 2450 spectrum 1 weight 0.11000E+01 volume 0.32466E-03 ppm1 2.432 ppm2 6.674 CV 1 ASSI { 2451} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 216 and name HA )) 4.300 2.300 1.700 peak 2451 spectrum 1 weight 0.11000E+01 volume 0.43140E-03 ppm1 2.413 ppm2 3.695 CV 1 ASSI { 2452} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 217 and name HA )) 5.700 4.100 0.300 peak 2452 spectrum 1 weight 0.11000E+01 volume 0.14784E-03 ppm1 2.398 ppm2 2.940 CV 1 ASSI { 2453} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 219 and name HB1 )) 2.400 2.400 3.600 peak 2453 spectrum 1 weight 0.11000E+01 volume 0.11839E-01 ppm1 2.391 ppm2 2.101 CV 1 ASSI { 2454} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 219 and name HG1 )) 2.100 2.100 3.900 peak 2454 spectrum 1 weight 0.11000E+01 volume 0.50316E-01 ppm1 2.389 ppm2 2.330 CV 1 ASSI { 2456} (( segid " " and resid 220 and name HG2 )) (( segid " " and resid 220 and name HB2 )) 2.400 0.700 0.700 peak 2456 spectrum 1 weight 0.11000E+01 volume 0.44031E-02 ppm1 2.421 ppm2 1.896 CV 1 ASSI { 2457} (( segid " " and resid 220 and name HG2 )) ( segid " " and resid 223 and name HB% ) 4.100 2.100 1.900 peak 2457 spectrum 1 weight 0.11000E+01 volume 0.10383E-02 ppm1 2.416 ppm2 1.535 CV 1 ASSI { 2460} (( segid " " and resid 221 and name HA )) (( segid " " and resid 221 and name HB2 )) 2.600 0.800 0.800 peak 2460 spectrum 1 weight 0.11000E+01 volume 0.23944E-02 ppm1 3.959 ppm2 3.357 CV 1 ASSI { 2462} (( segid " " and resid 221 and name HB1 )) (( segid " " and resid 221 and name HA )) 2.900 1.000 1.000 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.32978E-02 ppm1 3.571 ppm2 3.955 CV 1 ASSI { 2463} (( segid " " and resid 221 and name HB1 )) (( segid " " and resid 221 and name HB2 )) 1.900 0.400 0.400 peak 2463 spectrum 1 weight 0.11000E+01 volume 0.88195E-02 ppm1 3.573 ppm2 3.360 CV 1 ASSI { 2466} (( segid " " and resid 222 and name HA )) (( segid " " and resid 221 and name HB1 )) 3.900 1.900 1.900 peak 2466 spectrum 1 weight 0.11000E+01 volume 0.56864E-03 ppm1 4.176 ppm2 3.592 CV 1 ASSI { 2467} (( segid " " and resid 222 and name HA )) (( segid " " and resid 222 and name HB1 )) 2.600 0.800 0.800 peak 2467 spectrum 1 weight 0.11000E+01 volume 0.77571E-02 ppm1 4.174 ppm2 2.142 CV 1 ASSI { 2468} (( segid " " and resid 222 and name HA )) (( segid " " and resid 222 and name HG2 )) 3.400 1.500 1.500 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.26341E-02 ppm1 4.174 ppm2 2.444 CV 1 ASSI { 2469} (( segid " " and resid 222 and name HA )) (( segid " " and resid 225 and name HB1 )) 3.100 1.200 1.200 peak 2469 spectrum 1 weight 0.11000E+01 volume 0.44137E-02 ppm1 4.174 ppm2 3.184 CV 1 ASSI { 2470} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 219 and name HA )) 2.700 0.900 0.900 peak 2470 spectrum 1 weight 0.11000E+01 volume 0.30498E-02 ppm1 2.144 ppm2 3.986 CV 1 ASSI { 2474} (( segid " " and resid 222 and name HB1 )) (( segid " " and resid 225 and name HB2 )) 4.000 2.000 2.000 peak 2474 spectrum 1 weight 0.11000E+01 volume 0.19779E-02 ppm1 2.153 ppm2 3.152 CV 1 ASSI { 2475} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 222 and name HA )) 2.900 1.100 1.100 peak 2475 spectrum 1 weight 0.11000E+01 volume 0.33460E-02 ppm1 2.484 ppm2 4.176 CV 1 ASSI { 2476} (( segid " " and resid 222 and name HG1 )) ( segid " " and resid 223 and name HB% ) 4.300 2.300 1.700 peak 2476 spectrum 1 weight 0.11000E+01 volume 0.88496E-03 ppm1 2.483 ppm2 1.524 CV 1 ASSI { 2477} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 223 and name HN )) 4.100 2.100 1.900 peak 2477 spectrum 1 weight 0.11000E+01 volume 0.60256E-03 ppm1 2.495 ppm2 7.840 CV 1 ASSI { 2478} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 225 and name HA )) 4.000 4.000 2.000 peak 2478 spectrum 1 weight 0.11000E+01 volume 0.92397E-03 ppm1 2.484 ppm2 4.349 CV 1 ASSI { 2479} (( segid " " and resid 222 and name HG1 )) (( segid " " and resid 225 and name HB2 )) 3.400 1.400 1.400 peak 2479 spectrum 1 weight 0.11000E+01 volume 0.14504E-02 ppm1 2.493 ppm2 3.157 CV 1 ASSI { 2480} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 221 and name HB1 )) 4.700 2.700 1.300 peak 2480 spectrum 1 weight 0.11000E+01 volume 0.41146E-03 ppm1 2.413 ppm2 3.572 CV 1 ASSI { 2481} (( segid " " and resid 222 and name HG2 )) (( segid " " and resid 223 and name HA )) 3.200 1.300 1.300 peak 2481 spectrum 1 weight 0.11000E+01 volume 0.16268E-02 ppm1 2.436 ppm2 4.166 CV 1 ASSI { 2483} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HB2 )) 2.800 0.900 0.900 peak 2483 spectrum 1 weight 0.11000E+01 volume 0.32533E-02 ppm1 4.195 ppm2 2.174 CV 1 OR { 2483} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HB1 )) ASSI { 2484} (( segid " " and resid 223 and name HA )) (( segid " " and resid 226 and name HG2 )) 3.700 1.700 1.700 peak 2484 spectrum 1 weight 0.11000E+01 volume 0.98743E-03 ppm1 4.193 ppm2 2.488 CV 1 ASSI { 2485} (( segid " " and resid 223 and name HA )) (( segid " " and resid 227 and name HG2 )) 4.100 2.100 1.900 peak 2485 spectrum 1 weight 0.11000E+01 volume 0.38651E-03 ppm1 4.214 ppm2 1.810 CV 1 ASSI { 2486} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 220 and name HA )) 2.300 0.600 0.600 peak 2486 spectrum 1 weight 0.11000E+01 volume 0.81242E-02 ppm1 1.496 ppm2 4.092 CV 1 ASSI { 2487} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 222 and name HB1 )) 3.700 1.700 1.700 peak 2487 spectrum 1 weight 0.11000E+01 volume 0.30299E-02 ppm1 1.497 ppm2 2.161 CV 1 ASSI { 2488} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 223 and name HA )) 2.100 0.600 0.600 peak 2488 spectrum 1 weight 0.11000E+01 volume 0.14852E-01 ppm1 1.498 ppm2 4.193 CV 1 ASSI { 2489} ( segid " " and resid 223 and name HB% ) (( segid " " and resid 226 and name HG2 )) 4.100 2.100 1.900 peak 2489 spectrum 1 weight 0.11000E+01 volume 0.11110E-02 ppm1 1.497 ppm2 2.472 CV 1 ASSI { 2492} (( segid " " and resid 224 and name HA )) (( segid " " and resid 225 and name HB1 )) 5.100 3.200 0.900 peak 2492 spectrum 1 weight 0.11000E+01 volume 0.41979E-03 ppm1 4.064 ppm2 3.218 CV 1 ASSI { 2493} (( segid " " and resid 224 and name HA )) ( segid " " and resid 225 and name HD% ) 4.800 4.800 1.200 peak 2493 spectrum 1 weight 0.11000E+01 volume 0.38729E-03 ppm1 4.059 ppm2 7.139 CV 1 ASSI { 2494} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HB1 )) 4.100 2.100 1.900 peak 2494 spectrum 1 weight 0.11000E+01 volume 0.18297E-02 ppm1 4.065 ppm2 1.942 CV 1 ASSI { 2495} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.300 1.400 1.400 peak 2495 spectrum 1 weight 0.11000E+01 volume 0.10737E-02 ppm1 4.065 ppm2 1.615 CV 1 ASSI { 2496} (( segid " " and resid 224 and name HA )) (( segid " " and resid 227 and name HG2 )) 2.700 0.900 0.900 peak 2496 spectrum 1 weight 0.11000E+01 volume 0.22239E-02 ppm1 4.064 ppm2 1.851 CV 1 ASSI { 2498} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 221 and name HA )) 2.700 0.900 0.900 peak 2498 spectrum 1 weight 0.11000E+01 volume 0.90703E-02 ppm1 1.444 ppm2 3.985 CV 1 ASSI { 2499} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 221 and name HB2 )) 2.600 2.600 3.400 peak 2499 spectrum 1 weight 0.11000E+01 volume 0.63808E-03 ppm1 1.458 ppm2 3.359 CV 1 ASSI { 2500} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 222 and name HB1 )) 4.000 2.000 2.000 peak 2500 spectrum 1 weight 0.11000E+01 volume 0.15236E-02 ppm1 1.453 ppm2 2.141 CV 1 ASSI { 2501} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 224 and name HA )) 2.100 0.600 0.600 peak 2501 spectrum 1 weight 0.11000E+01 volume 0.14580E-01 ppm1 1.457 ppm2 4.051 CV 1 ASSI { 2502} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 225 and name HA )) 2.900 1.000 1.000 peak 2502 spectrum 1 weight 0.11000E+01 volume 0.47196E-02 ppm1 1.448 ppm2 4.334 CV 1 ASSI { 2503} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HD2 )) 3.800 1.800 1.800 peak 2503 spectrum 1 weight 0.11000E+01 volume 0.16210E-02 ppm1 1.441 ppm2 3.126 CV 1 ASSI { 2504} ( segid " " and resid 224 and name HB% ) (( segid " " and resid 227 and name HG2 )) 3.800 1.800 1.800 peak 2504 spectrum 1 weight 0.11000E+01 volume 0.24050E-02 ppm1 1.446 ppm2 1.824 CV 1 ASSI { 2506} (( segid " " and resid 225 and name HA )) (( segid " " and resid 225 and name HB2 )) 2.400 0.700 0.700 peak 2506 spectrum 1 weight 0.11000E+01 volume 0.63033E-02 ppm1 4.329 ppm2 3.181 CV 1 ASSI { 2507} (( segid " " and resid 225 and name HA )) ( segid " " and resid 225 and name HD% ) 3.100 1.200 1.200 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.18284E-02 ppm1 4.327 ppm2 7.138 CV 1 ASSI { 2508} (( segid " " and resid 225 and name HA )) ( segid " " and resid 228 and name HB% ) 2.700 0.900 0.900 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.37724E-02 ppm1 4.328 ppm2 1.446 CV 1 ASSI { 2510} (( segid " " and resid 225 and name HB1 )) (( segid " " and resid 222 and name HB1 )) 5.100 3.200 0.900 peak 2510 spectrum 1 weight 0.11000E+01 volume 0.53004E-03 ppm1 3.190 ppm2 2.141 CV 1 ASSI { 2511} (( segid " " and resid 225 and name HB1 )) ( segid " " and resid 225 and name HD% ) 3.100 1.200 1.200 peak 2511 spectrum 1 weight 0.11000E+01 volume 0.15777E-02 ppm1 3.204 ppm2 7.131 CV 1 ASSI { 2512} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 222 and name HE22)) 2.700 2.700 3.300 peak 2512 spectrum 1 weight 0.11000E+01 volume 0.42339E-03 ppm1 3.177 ppm2 6.812 CV 1 ASSI { 2514} (( segid " " and resid 225 and name HB2 )) (( segid " " and resid 226 and name HG2 )) 4.300 2.400 1.700 peak 2514 spectrum 1 weight 0.11000E+01 volume 0.59499E-03 ppm1 3.170 ppm2 2.497 CV 1 ASSI { 2518} (( segid " " and resid 226 and name HA )) ( segid " " and resid 223 and name HB% ) 3.900 3.900 2.100 peak 2518 spectrum 1 weight 0.11000E+01 volume 0.25602E-02 ppm1 3.921 ppm2 1.483 CV 1 ASSI { 2519} (( segid " " and resid 226 and name HA )) (( segid " " and resid 225 and name HB2 )) 4.700 2.800 1.300 peak 2519 spectrum 1 weight 0.11000E+01 volume 0.43964E-03 ppm1 3.939 ppm2 3.172 CV 1 ASSI { 2520} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB1 )) 2.500 0.800 0.800 peak 2520 spectrum 1 weight 0.11000E+01 volume 0.61630E-02 ppm1 3.924 ppm2 2.173 CV 1 OR { 2520} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HB2 )) ASSI { 2521} (( segid " " and resid 226 and name HA )) (( segid " " and resid 226 and name HG2 )) 2.900 1.100 1.100 peak 2521 spectrum 1 weight 0.11000E+01 volume 0.27498E-02 ppm1 3.921 ppm2 2.499 CV 1 ASSI { 2522} (( segid " " and resid 226 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.900 1.900 1.900 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.19710E-02 ppm1 3.929 ppm2 1.627 CV 1 ASSI { 2523} (( segid " " and resid 226 and name HB2 )) (( segid " " and resid 222 and name HA )) 1.800 1.800 4.200 peak 2523 spectrum 1 weight 0.11000E+01 volume 0.56345E-02 ppm1 2.175 ppm2 4.164 CV 1 OR { 2523} (( segid " " and resid 226 and name HB1 )) (( segid " " and resid 222 and name HA )) ASSI { 2528} (( segid " " and resid 226 and name HG2 )) (( segid " " and resid 226 and name HB1 )) 2.100 0.500 0.500 peak 2528 spectrum 1 weight 0.11000E+01 volume 0.22745E-01 ppm1 2.497 ppm2 2.170 CV 1 OR { 2528} (( segid " " and resid 226 and name HG2 )) (( segid " " and resid 226 and name HB2 )) ASSI { 2529} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HB2 )) 2.500 0.800 0.800 peak 2529 spectrum 1 weight 0.11000E+01 volume 0.61773E-02 ppm1 4.116 ppm2 1.845 CV 1 ASSI { 2531} (( segid " " and resid 227 and name HA )) (( segid " " and resid 227 and name HG1 )) 3.300 1.400 1.400 peak 2531 spectrum 1 weight 0.11000E+01 volume 0.28548E-02 ppm1 4.116 ppm2 1.607 CV 1 ASSI { 2532} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HA )) 4.600 2.700 1.400 peak 2532 spectrum 1 weight 0.11000E+01 volume 0.97135E-03 ppm1 3.300 ppm2 4.111 CV 1 ASSI { 2533} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HG1 )) 2.700 0.900 0.900 peak 2533 spectrum 1 weight 0.11000E+01 volume 0.32522E-02 ppm1 3.282 ppm2 1.628 CV 1 ASSI { 2534} (( segid " " and resid 227 and name HD1 )) (( segid " " and resid 227 and name HG2 )) 2.600 0.800 0.800 peak 2534 spectrum 1 weight 0.11000E+01 volume 0.42638E-02 ppm1 3.297 ppm2 1.840 CV 1 ASSI { 2535} (( segid " " and resid 227 and name HD2 )) (( segid " " and resid 228 and name HA )) 4.100 4.100 1.900 peak 2535 spectrum 1 weight 0.11000E+01 volume 0.89305E-03 ppm1 3.138 ppm2 4.171 CV 1 ASSI { 2538} (( segid " " and resid 227 and name HG1 )) (( segid " " and resid 227 and name HG2 )) 1.800 0.400 0.400 peak 2538 spectrum 1 weight 0.11000E+01 volume 0.10624E-01 ppm1 1.600 ppm2 1.835 CV 1 ASSI { 2542} (( segid " " and resid 228 and name HA )) ( segid " " and resid 224 and name HB% ) 2.700 2.700 3.300 peak 2542 spectrum 1 weight 0.11000E+01 volume 0.85921E-02 ppm1 4.166 ppm2 1.438 CV 1 ASSI { 2543} (( segid " " and resid 228 and name HA )) (( segid " " and resid 225 and name HA )) 5.100 3.200 0.900 peak 2543 spectrum 1 weight 0.11000E+01 volume 0.65368E-03 ppm1 4.487 ppm2 4.329 CV 1 ASSI { 2545} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 224 and name HA )) 2.400 2.400 3.600 peak 2545 spectrum 1 weight 0.11000E+01 volume 0.16353E-01 ppm1 1.443 ppm2 4.080 CV 1 ASSI { 2547} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 225 and name HB2 )) 4.000 2.000 2.000 peak 2547 spectrum 1 weight 0.11000E+01 volume 0.21599E-02 ppm1 1.450 ppm2 3.174 CV 1 ASSI { 2548} ( segid " " and resid 228 and name HB% ) ( segid " " and resid 225 and name HD% ) 3.800 1.800 1.800 peak 2548 spectrum 1 weight 0.11000E+01 volume 0.13559E-02 ppm1 1.449 ppm2 7.123 CV 1 ASSI { 2549} ( segid " " and resid 228 and name HB% ) (( segid " " and resid 228 and name HA )) 2.200 2.200 3.800 peak 2549 spectrum 1 weight 0.11000E+01 volume 0.16868E-01 ppm1 1.443 ppm2 4.147 CV 1
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