NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
16298 | 1zxf | 6726 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
!unambiguous NOE-dist restraints ASSI { 3} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 23 and name HN )) 3.200 3.200 2.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.248 ppm2 8.760 CV 1 ASSI { 4} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 26 and name HN )) 3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.248 ppm2 7.873 CV 1 ASSI { 5} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 30 and name HD1 )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.247 ppm2 7.081 CV 1 ASSI { 6} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 30 and name HN )) 3.300 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.249 ppm2 6.927 CV 1 ASSI { 7} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 27 and name HN )) 3.300 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.249 ppm2 6.392 CV 1 ASSI { 9} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 26 and name HA2 )) 4.300 2.300 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.247 ppm2 4.570 CV 1 ASSI { 10} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 26 and name HA1 )) 2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.248 ppm2 4.279 CV 1 ASSI { 12} (( segid " " and resid 53 and name HE1 )) (( segid " " and resid 66 and name HA1 )) 2.900 2.900 3.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.247 ppm2 3.128 CV 1 ASSI { 13} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.249 ppm2 2.950 CV 1 ASSI { 16} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 21 and name HG1 )) 2.400 2.400 3.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.247 ppm2 1.524 CV 1 ASSI { 18} (( segid " " and resid 53 and name HE1 )) (( segid " " and resid 79 and name HG12)) 3.400 1.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.246 ppm2 0.881 CV 1 ASSI { 19} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.210 ppm2 5.449 CV 1 ASSI { 22} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG2 )) 3.800 1.800 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.209 ppm2 2.146 CV 1 OR { 22} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) ASSI { 23} (( segid " " and resid 115 and name HN )) (( segid " " and resid 7 and name HB1 )) 2.400 2.400 3.600 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.208 ppm2 1.552 CV 1 OR { 23} (( segid " " and resid 115 and name HN )) (( segid " " and resid 7 and name HG1 )) ASSI { 24} (( segid " " and resid 115 and name HN )) ( segid " " and resid 6 and name HG1%) 3.400 1.400 1.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.210 ppm2 1.352 CV 1 ASSI { 26} (( segid " " and resid 115 and name HN )) (( segid " " and resid 6 and name HN )) 3.000 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.206 ppm2 9.133 CV 1 ASSI { 27} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.206 ppm2 3.639 CV 1 ASSI { 28} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) 2.900 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.207 ppm2 2.751 CV 1 ASSI { 29} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) 3.800 1.800 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.205 ppm2 1.972 CV 1 ASSI { 32} (( segid " " and resid 80 and name HN )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.945 ppm2 9.082 CV 1 ASSI { 33} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA2 )) 3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.945 ppm2 4.874 CV 1 ASSI { 35} (( segid " " and resid 80 and name HN )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.944 ppm2 3.618 CV 1 ASSI { 36} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.600 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.944 ppm2 3.361 CV 1 ASSI { 38} (( segid " " and resid 80 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.300 1.400 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.944 ppm2 1.478 CV 1 OR { 38} (( segid " " and resid 80 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 41} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG11)) 3.400 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.943 ppm2 0.350 CV 1 ASSI { 45} (( segid " " and resid 63 and name HN )) (( segid " " and resid 55 and name HN )) 3.400 1.400 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.885 ppm2 8.845 CV 1 ASSI { 46} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG1 )) 3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.885 ppm2 2.196 CV 1 ASSI { 48} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.883 ppm2 8.327 CV 1 ASSI { 49} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.884 ppm2 6.982 CV 1 ASSI { 50} (( segid " " and resid 63 and name HN )) ( segid " " and resid 54 and name HE% ) 2.400 2.400 3.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.883 ppm2 6.522 CV 1 ASSI { 51} (( segid " " and resid 63 and name HN )) ( segid " " and resid 54 and name HD% ) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.882 ppm2 6.390 CV 1 ASSI { 52} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.883 ppm2 4.782 CV 1 ASSI { 53} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.900 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.884 ppm2 3.047 CV 1 ASSI { 54} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.500 1.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.884 ppm2 2.857 CV 1 ASSI { 55} (( segid " " and resid 63 and name HN )) (( segid " " and resid 54 and name HB1 )) 3.200 1.300 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.883 ppm2 2.664 CV 1 OR { 55} (( segid " " and resid 63 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 57} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG2 )) 4.000 2.000 2.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.883 ppm2 1.831 CV 1 ASSI { 58} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.800 1.800 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.882 ppm2 1.624 CV 1 ASSI { 59} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) 4.200 2.200 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.884 ppm2 1.092 CV 1 ASSI { 61} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.300 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.843 ppm2 8.998 CV 1 ASSI { 63} (( segid " " and resid 110 and name HN )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.844 ppm2 5.300 CV 1 ASSI { 66} (( segid " " and resid 110 and name HN )) (( segid " " and resid 102 and name HN )) 2.900 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.842 ppm2 9.649 CV 1 ASSI { 70} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB )) 3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.842 ppm2 3.672 CV 1 ASSI { 71} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HD2 )) 3.900 1.900 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.840 ppm2 3.013 CV 1 ASSI { 72} (( segid " " and resid 110 and name HN )) (( segid " " and resid 104 and name HB1 )) 2.400 2.400 3.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.841 ppm2 2.500 CV 1 ASSI { 73} (( segid " " and resid 110 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.842 ppm2 2.264 CV 1 ASSI { 74} (( segid " " and resid 110 and name HN )) (( segid " " and resid 102 and name HB )) 2.800 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.842 ppm2 1.995 CV 1 ASSI { 75} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB1 )) 2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.842 ppm2 1.827 CV 1 ASSI { 76} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.100 1.200 1.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.842 ppm2 1.593 CV 1 ASSI { 80} (( segid " " and resid 99 and name HN )) (( segid " " and resid 77 and name HN )) 2.800 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.681 ppm2 9.092 CV 1 ASSI { 82} (( segid " " and resid 99 and name HN )) (( segid " " and resid 79 and name HN )) 3.700 1.700 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.682 ppm2 8.707 CV 1 ASSI { 83} (( segid " " and resid 99 and name HN )) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.683 ppm2 5.902 CV 1 ASSI { 86} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB )) 3.600 1.600 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.681 ppm2 3.988 CV 1 ASSI { 87} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.682 ppm2 1.695 CV 1 ASSI { 93} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 3.500 1.500 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.640 ppm2 9.156 CV 1 ASSI { 94} (( segid " " and resid 102 and name HN )) (( segid " " and resid 112 and name HN )) 4.000 2.000 2.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.638 ppm2 8.657 CV 1 ASSI { 95} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HE% ) 4.200 2.200 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.639 ppm2 7.200 CV 1 ASSI { 98} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.700 1.800 1.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.638 ppm2 3.962 CV 1 ASSI { 99} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 2.900 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.639 ppm2 2.532 CV 1 ASSI { 101} (( segid " " and resid 102 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.300 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.638 ppm2 1.819 CV 1 ASSI { 105} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 3.700 1.700 1.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.637 ppm2 8.775 CV 1 ASSI { 106} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HD% ) 3.400 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.637 ppm2 7.076 CV 1 ASSI { 107} (( segid " " and resid 102 and name HN )) (( segid " " and resid 16 and name HD1 )) 3.200 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.636 ppm2 3.181 CV 1 ASSI { 109} (( segid " " and resid 137 and name HE1 )) (( segid " " and resid 137 and name HB1 )) 3.500 3.500 2.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.448 ppm2 2.825 CV 1 ASSI { 110} (( segid " " and resid 137 and name HE1 )) ( segid " " and resid 97 and name HE% ) 2.400 2.400 3.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.446 ppm2 7.217 CV 1 ASSI { 111} (( segid " " and resid 137 and name HE1 )) ( segid " " and resid 23 and name HE% ) 2.900 2.900 3.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.446 ppm2 7.038 CV 1 ASSI { 112} (( segid " " and resid 137 and name HE1 )) (( segid " " and resid 137 and name HB2 )) 3.500 1.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.446 ppm2 3.247 CV 1 ASSI { 114} (( segid " " and resid 38 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.500 1.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 1.995 CV 1 ASSI { 116} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.400 3.400 2.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 1.269 CV 1 ASSI { 118} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HG2%) 3.700 1.700 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 0.917 CV 1 ASSI { 119} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 3.500 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 11.242 CV 1 ASSI { 120} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 8.027 CV 1 ASSI { 123} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 4.029 CV 1 ASSI { 124} (( segid " " and resid 38 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.400 1.400 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 2.261 CV 1 ASSI { 125} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.700 1.700 1.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 1.767 CV 1 OR { 125} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 127} (( segid " " and resid 111 and name HN )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.386 ppm2 8.886 CV 1 ASSI { 128} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 3.600 1.600 1.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 8.650 CV 1 ASSI { 129} (( segid " " and resid 111 and name HN )) (( segid " " and resid 11 and name HN )) 3.500 1.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.384 ppm2 8.504 CV 1 ASSI { 130} (( segid " " and resid 111 and name HN )) (( segid " " and resid 9 and name HA )) 3.800 1.800 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.383 ppm2 5.901 CV 1 ASSI { 131} (( segid " " and resid 111 and name HN )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 5.291 CV 1 ASSI { 132} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HA )) 3.400 3.400 2.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.384 ppm2 5.064 CV 1 ASSI { 133} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.600 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 4.869 CV 1 ASSI { 135} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.387 ppm2 4.289 CV 1 ASSI { 136} (( segid " " and resid 111 and name HN )) (( segid " " and resid 9 and name HB1 )) 4.200 2.200 1.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.383 ppm2 3.599 CV 1 OR { 136} (( segid " " and resid 111 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 138} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HD2 )) 2.800 2.800 3.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 3.040 CV 1 ASSI { 139} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB )) 3.100 1.200 1.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 2.009 CV 1 ASSI { 140} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.600 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 1.823 CV 1 ASSI { 141} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG1 )) 2.800 2.800 3.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 1.554 CV 1 ASSI { 142} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.600 1.600 1.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 1.333 CV 1 ASSI { 143} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HG2%) 3.700 1.700 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.385 ppm2 0.903 CV 1 ASSI { 150} (( segid " " and resid 12 and name HN )) (( segid " " and resid 109 and name HN )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.379 ppm2 9.017 CV 1 ASSI { 151} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 3.600 1.600 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.377 ppm2 8.501 CV 1 ASSI { 153} (( segid " " and resid 12 and name HN )) (( segid " " and resid 110 and name HA )) 3.300 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.379 ppm2 4.870 CV 1 ASSI { 155} (( segid " " and resid 12 and name HN )) (( segid " " and resid 109 and name HB )) 3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.377 ppm2 3.670 CV 1 ASSI { 156} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB )) 2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.378 ppm2 2.004 CV 1 ASSI { 164} (( segid " " and resid 12 and name HN )) (( segid " " and resid 110 and name HB1 )) 4.200 2.200 1.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.382 ppm2 1.813 CV 1 ASSI { 165} (( segid " " and resid 12 and name HN )) (( segid " " and resid 108 and name HG1 )) 3.400 3.400 2.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.379 ppm2 1.297 CV 1 ASSI { 167} (( segid " " and resid 47 and name HN )) (( segid " " and resid 52 and name HN )) 2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.247 ppm2 8.657 CV 1 ASSI { 168} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HN )) 3.400 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.246 ppm2 7.567 CV 1 ASSI { 169} (( segid " " and resid 47 and name HN )) ( segid " " and resid 54 and name HD% ) 3.200 1.300 1.300 peak 169 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.247 ppm2 6.412 CV 1 ASSI { 172} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HA1 )) 4.200 2.200 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.247 ppm2 4.008 CV 1 ASSI { 173} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.246 ppm2 3.090 CV 1 ASSI { 174} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.247 ppm2 2.818 CV 1 ASSI { 175} (( segid " " and resid 47 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.500 2.500 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.246 ppm2 1.933 CV 1 ASSI { 177} (( segid " " and resid 47 and name HN )) ( segid " " and resid 71 and name HG2%) 3.800 3.800 2.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.247 ppm2 1.186 CV 1 ASSI { 178} (( segid " " and resid 47 and name HN )) (( segid " " and resid 54 and name HN )) 3.700 1.700 1.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.246 ppm2 8.373 CV 1 ASSI { 179} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 3.500 1.500 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.246 ppm2 8.197 CV 1 ASSI { 180} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 3.600 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.245 ppm2 2.183 CV 1 ASSI { 181} (( segid " " and resid 116 and name HN )) (( segid " " and resid 96 and name HB1 )) 2.400 2.400 3.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.236 ppm2 1.918 CV 1 ASSI { 182} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB1 )) 3.300 1.400 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.240 ppm2 2.755 CV 1 ASSI { 185} (( segid " " and resid 116 and name HN )) (( segid " " and resid 96 and name HN )) 3.100 3.100 2.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.237 ppm2 8.557 CV 1 ASSI { 187} (( segid " " and resid 116 and name HN )) (( segid " " and resid 97 and name HA )) 3.800 1.800 1.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.238 ppm2 5.954 CV 1 ASSI { 188} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.900 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.237 ppm2 5.434 CV 1 ASSI { 190} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB )) 3.100 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.238 ppm2 3.849 CV 1 ASSI { 191} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.500 1.500 1.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.237 ppm2 3.642 CV 1 ASSI { 192} (( segid " " and resid 116 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.400 2.400 3.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.237 ppm2 2.585 CV 1 ASSI { 194} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HG2%) 3.300 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.237 ppm2 0.677 CV 1 ASSI { 196} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 3.900 1.900 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.141 ppm2 8.329 CV 1 ASSI { 201} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB )) 3.700 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.140 ppm2 1.975 CV 1 ASSI { 203} (( segid " " and resid 103 and name HN )) ( segid " " and resid 109 and name HG2%) 3.500 1.500 1.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.141 ppm2 1.216 CV 1 ASSI { 204} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HA )) 3.400 3.400 2.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.140 ppm2 4.928 CV 1 ASSI { 205} (( segid " " and resid 103 and name HN )) (( segid " " and resid 16 and name HD1 )) 2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.140 ppm2 3.207 CV 1 ASSI { 207} (( segid " " and resid 103 and name HN )) (( segid " " and resid 16 and name HG1 )) 3.700 3.700 2.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.140 ppm2 1.751 CV 1 ASSI { 209} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.126 ppm2 7.735 CV 1 ASSI { 212} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.900 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.126 ppm2 4.672 CV 1 ASSI { 214} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD2 )) 3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.125 ppm2 1.643 CV 1 OR { 214} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 218} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HE1 )) 3.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.124 ppm2 3.011 CV 1 ASSI { 219} (( segid " " and resid 13 and name HN )) (( segid " " and resid 145 and name HG1 )) 3.900 1.900 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.124 ppm2 2.372 CV 1 OR { 219} (( segid " " and resid 13 and name HN )) (( segid " " and resid 145 and name HB2 )) ASSI { 220} (( segid " " and resid 13 and name HN )) ( segid " " and resid 11 and name HG2%) 3.300 3.300 2.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.123 ppm2 1.108 CV 1 ASSI { 221} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HG1%) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.124 ppm2 0.919 CV 1 ASSI { 225} (( segid " " and resid 6 and name HN )) (( segid " " and resid 2 and name HA )) 3.300 1.400 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.121 ppm2 4.707 CV 1 ASSI { 227} (( segid " " and resid 6 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.700 1.800 1.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.123 ppm2 3.643 CV 1 ASSI { 228} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB )) 2.900 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.121 ppm2 2.402 CV 1 ASSI { 229} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HG1%) 3.700 1.700 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.121 ppm2 1.352 CV 1 ASSI { 232} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.500 1.500 1.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.119 ppm2 3.082 CV 1 ASSI { 233} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.500 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.120 ppm2 2.735 CV 1 ASSI { 234} (( segid " " and resid 6 and name HN )) (( segid " " and resid 114 and name HG2 )) 3.600 3.600 2.400 peak 234 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.120 ppm2 2.120 CV 1 OR { 234} (( segid " " and resid 6 and name HN )) (( segid " " and resid 114 and name HG1 )) OR { 234} (( segid " " and resid 6 and name HN )) (( segid " " and resid 114 and name HB2 )) ASSI { 235} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.600 1.600 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.119 ppm2 1.545 CV 1 OR { 235} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG1 )) ASSI { 237} (( segid " " and resid 6 and name HN )) (( segid " " and resid 115 and name HA )) 3.400 3.400 2.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.107 ppm2 5.422 CV 1 ASSI { 239} (( segid " " and resid 77 and name HN )) (( segid " " and resid 70 and name HG2 )) 3.200 3.200 2.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.089 ppm2 1.392 CV 1 ASSI { 241} (( segid " " and resid 77 and name HN )) (( segid " " and resid 100 and name HN )) 3.500 3.500 2.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.087 ppm2 8.894 CV 1 ASSI { 243} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 3.300 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.090 ppm2 8.533 CV 1 ASSI { 244} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 3.500 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.089 ppm2 8.273 CV 1 ASSI { 245} (( segid " " and resid 77 and name HN )) ( segid " " and resid 101 and name HE% ) 4.300 2.300 1.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.088 ppm2 7.188 CV 1 ASSI { 253} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.000 1.100 1.100 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.088 ppm2 1.570 CV 1 OR { 253} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 254} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HG2%) 3.700 1.700 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.088 ppm2 1.198 CV 1 ASSI { 255} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) 2.800 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.088 ppm2 0.878 CV 1 ASSI { 256} (( segid " " and resid 77 and name HN )) ( segid " " and resid 99 and name HG1%) 3.400 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.089 ppm2 -0.367 CV 1 ASSI { 257} (( segid " " and resid 77 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.300 3.300 2.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.086 ppm2 2.938 CV 1 ASSI { 258} (( segid " " and resid 67 and name HN )) (( segid " " and resid 80 and name HA1 )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.085 ppm2 3.344 CV 1 ASSI { 259} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 3.200 1.300 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.087 ppm2 8.442 CV 1 ASSI { 261} (( segid " " and resid 67 and name HN )) (( segid " " and resid 53 and name HN )) 3.600 1.600 1.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 8.899 CV 1 ASSI { 262} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.900 1.900 1.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.083 ppm2 7.622 CV 1 ASSI { 263} (( segid " " and resid 67 and name HN )) (( segid " " and resid 81 and name HA )) 3.100 3.100 2.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.085 ppm2 5.689 CV 1 ASSI { 264} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA2 )) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 5.488 CV 1 ASSI { 266} (( segid " " and resid 67 and name HN )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 4.511 CV 1 ASSI { 267} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA1 )) 3.100 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.083 ppm2 3.117 CV 1 ASSI { 270} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.200 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 1.465 CV 1 OR { 270} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 271} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG )) 2.900 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 1.277 CV 1 ASSI { 274} (( segid " " and resid 67 and name HN )) (( segid " " and resid 79 and name HG11)) 3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.080 ppm2 0.350 CV 1 ASSI { 275} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HN )) 3.700 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.064 ppm2 8.569 CV 1 ASSI { 276} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.064 ppm2 5.957 CV 1 ASSI { 278} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.064 ppm2 2.588 CV 1 ASSI { 279} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) 3.100 1.200 1.200 peak 279 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.065 ppm2 2.166 CV 1 ASSI { 280} (( segid " " and resid 97 and name HN )) (( segid " " and resid 79 and name HB )) 2.400 2.400 3.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.065 ppm2 -0.017 CV 1 ASSI { 281} (( segid " " and resid 97 and name HN )) ( segid " " and resid 97 and name HE% ) 3.400 1.500 1.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.062 ppm2 7.212 CV 1 ASSI { 287} (( segid " " and resid 97 and name HN )) ( segid " " and resid 79 and name HD1%) 3.300 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.061 ppm2 0.186 CV 1 ASSI { 288} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 3.500 1.600 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.064 ppm2 8.883 CV 1 ASSI { 289} (( segid " " and resid 97 and name HN )) (( segid " " and resid 79 and name HN )) 2.900 1.000 1.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.063 ppm2 8.728 CV 1 ASSI { 290} (( segid " " and resid 97 and name HN )) (( segid " " and resid 80 and name HA2 )) 3.400 1.500 1.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.063 ppm2 4.868 CV 1 ASSI { 291} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.500 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.063 ppm2 1.897 CV 1 OR { 291} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) OR { 291} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HG2 )) ASSI { 293} (( segid " " and resid 141 and name HN )) (( segid " " and resid 145 and name HE21)) 3.800 3.800 2.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.024 ppm2 7.532 CV 1 ASSI { 294} (( segid " " and resid 141 and name HN )) (( segid " " and resid 137 and name HA )) 3.600 1.600 1.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 4.602 CV 1 ASSI { 295} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 4.177 CV 1 ASSI { 296} (( segid " " and resid 141 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.500 3.500 2.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.024 ppm2 2.797 CV 1 ASSI { 297} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG )) 2.800 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 2.260 CV 1 ASSI { 298} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.700 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 1.504 CV 1 ASSI { 299} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG12)) 3.700 1.700 1.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.024 ppm2 1.021 CV 1 ASSI { 300} (( segid " " and resid 141 and name HN )) ( segid " " and resid 141 and name HD2%) 3.400 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 0.866 CV 1 ASSI { 301} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG11)) 3.600 1.600 1.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.025 ppm2 -0.652 CV 1 ASSI { 302} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.024 ppm2 3.060 CV 1 ASSI { 303} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) 3.700 1.700 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.022 ppm2 1.976 CV 1 ASSI { 304} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB )) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 1.787 CV 1 ASSI { 305} (( segid " " and resid 141 and name HN )) ( segid " " and resid 141 and name HD1%) 4.000 2.000 2.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 0.733 CV 1 ASSI { 306} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HN )) 3.400 1.400 1.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.022 ppm2 6.925 CV 1 ASSI { 307} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 2.400 2.400 3.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.022 ppm2 -0.426 CV 1 ASSI { 309} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HN )) 3.800 1.800 1.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.012 ppm2 8.698 CV 1 ASSI { 315} (( segid " " and resid 90 and name HN )) (( segid " " and resid 92 and name HB1 )) 3.400 3.400 2.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.011 ppm2 2.478 CV 1 ASSI { 316} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.100 1.200 1.200 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.012 ppm2 2.228 CV 1 ASSI { 318} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB )) 3.300 1.400 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.013 ppm2 1.687 CV 1 OR { 318} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG12)) ASSI { 320} (( segid " " and resid 90 and name HN )) ( segid " " and resid 89 and name HG2%) 3.900 1.900 1.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.011 ppm2 0.935 CV 1 ASSI { 321} (( segid " " and resid 90 and name HN )) ( segid " " and resid 89 and name HD1%) 3.100 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.012 ppm2 0.742 CV 1 ASSI { 322} (( segid " " and resid 90 and name HN )) ( segid " " and resid 83 and name HD2%) 3.200 1.300 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.013 ppm2 0.269 CV 1 ASSI { 323} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HD2 )) 3.900 1.900 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.010 ppm2 3.814 CV 1 ASSI { 324} (( segid " " and resid 109 and name HN )) ( segid " " and resid 12 and name HG2%) 3.400 1.500 1.500 peak 324 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.003 ppm2 0.732 CV 1 ASSI { 328} (( segid " " and resid 109 and name HN )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.002 ppm2 8.302 CV 1 ASSI { 329} (( segid " " and resid 109 and name HN )) (( segid " " and resid 14 and name HN )) 3.400 1.400 1.400 peak 329 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.000 ppm2 7.738 CV 1 ASSI { 331} (( segid " " and resid 109 and name HN )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.000 ppm2 5.310 CV 1 ASSI { 334} (( segid " " and resid 109 and name HN )) (( segid " " and resid 16 and name HA )) 3.900 3.900 2.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.000 ppm2 4.125 CV 1 ASSI { 336} (( segid " " and resid 109 and name HN )) (( segid " " and resid 104 and name HB1 )) 4.300 2.300 1.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.000 ppm2 2.496 CV 1 ASSI { 338} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.800 1.900 1.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.000 ppm2 1.593 CV 1 ASSI { 339} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG1 )) 3.300 1.300 1.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.999 ppm2 1.273 CV 1 ASSI { 340} (( segid " " and resid 109 and name HN )) ( segid " " and resid 12 and name HG1%) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.000 ppm2 0.918 CV 1 ASSI { 341} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) 3.500 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.997 ppm2 6.835 CV 1 ASSI { 342} (( segid " " and resid 109 and name HN )) (( segid " " and resid 13 and name HA )) 3.500 1.500 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.999 ppm2 4.655 CV 1 ASSI { 343} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HE2 )) 2.400 2.400 3.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.998 ppm2 2.891 CV 1 ASSI { 347} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA1 )) 2.700 0.900 0.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.995 ppm2 3.644 CV 1 ASSI { 350} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.996 ppm2 3.260 CV 1 ASSI { 351} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HB2 )) 4.700 2.800 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.998 ppm2 1.830 CV 1 ASSI { 354} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) 2.900 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.995 ppm2 8.299 CV 1 ASSI { 355} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HN )) 3.900 1.900 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.994 ppm2 7.306 CV 1 ASSI { 356} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.700 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.995 ppm2 4.605 CV 1 ASSI { 357} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.995 ppm2 2.827 CV 1 ASSI { 364} (( segid " " and resid 137 and name HN )) (( segid " " and resid 140 and name HG12)) 3.800 3.800 2.200 peak 364 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.989 ppm2 1.060 CV 1 ASSI { 370} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 81 and name HB1 )) 3.800 1.800 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 4.138 CV 1 ASSI { 376} (( segid " " and resid 81 and name HE1 )) ( segid " " and resid 83 and name HD2%) 3.100 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.987 ppm2 0.313 CV 1 ASSI { 380} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 83 and name HN )) 3.100 1.200 1.200 peak 380 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 5.716 CV 1 ASSI { 383} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 90 and name HA )) 3.300 1.400 1.400 peak 383 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 4.890 CV 1 ASSI { 385} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 129 and name HA )) 3.300 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 3.673 CV 1 ASSI { 386} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 88 and name HB2 )) 3.800 3.800 2.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 1.874 CV 1 ASSI { 388} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 83 and name HB2 )) 3.300 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 1.259 CV 1 ASSI { 392} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 3.000 1.100 1.100 peak 392 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.965 ppm2 5.699 CV 1 ASSI { 393} (( segid " " and resid 81 and name HN )) (( segid " " and resid 96 and name HA )) 3.800 1.800 1.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.962 ppm2 5.429 CV 1 ASSI { 394} (( segid " " and resid 81 and name HN )) (( segid " " and resid 94 and name HA )) 3.200 3.200 2.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.963 ppm2 5.135 CV 1 ASSI { 395} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA2 )) 2.800 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.962 ppm2 4.871 CV 1 ASSI { 396} (( segid " " and resid 81 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.400 3.400 2.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.961 ppm2 3.790 CV 1 OR { 396} (( segid " " and resid 81 and name HN )) (( segid " " and resid 94 and name HB1 )) ASSI { 397} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.800 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.962 ppm2 3.125 CV 1 ASSI { 398} (( segid " " and resid 81 and name HN )) (( segid " " and resid 96 and name HB1 )) 4.000 2.000 2.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.963 ppm2 1.894 CV 1 OR { 398} (( segid " " and resid 81 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 399} (( segid " " and resid 81 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.400 2.400 3.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.962 ppm2 1.470 CV 1 OR { 399} (( segid " " and resid 81 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 400} (( segid " " and resid 81 and name HN )) ( segid " " and resid 79 and name HD1%) 3.300 1.400 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.964 ppm2 0.172 CV 1 ASSI { 401} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HN )) 3.900 1.900 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.961 ppm2 9.951 CV 1 ASSI { 402} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 3.600 1.600 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.958 ppm2 8.174 CV 1 ASSI { 403} (( segid " " and resid 81 and name HN )) ( segid " " and resid 118 and name HD% ) 3.600 3.600 2.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.958 ppm2 7.171 CV 1 ASSI { 404} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.100 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.961 ppm2 4.106 CV 1 ASSI { 405} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA1 )) 3.100 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.961 ppm2 3.359 CV 1 ASSI { 406} (( segid " " and resid 81 and name HN )) ( segid " " and resid 67 and name HD1%) 3.500 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.960 ppm2 0.812 CV 1 ASSI { 408} (( segid " " and resid 119 and name HN )) (( segid " " and resid 2 and name HA )) 3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.950 ppm2 4.717 CV 1 ASSI { 409} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HN )) 3.300 1.400 1.400 peak 409 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.949 ppm2 8.402 CV 1 ASSI { 410} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) 3.000 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.949 ppm2 7.424 CV 1 ASSI { 413} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.500 1.600 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.948 ppm2 3.322 CV 1 ASSI { 414} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.800 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.949 ppm2 2.909 CV 1 ASSI { 417} (( segid " " and resid 119 and name HN )) ( segid " " and resid 126 and name HB% ) 3.900 1.900 1.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.948 ppm2 1.333 CV 1 ASSI { 418} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG )) 3.400 1.500 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.939 ppm2 0.760 CV 1 ASSI { 421} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA1 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.935 ppm2 3.574 CV 1 ASSI { 422} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.000 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.936 ppm2 2.497 CV 1 ASSI { 424} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.100 1.200 1.200 peak 424 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.935 ppm2 1.544 CV 1 ASSI { 425} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.500 1.500 1.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.935 ppm2 1.253 CV 1 ASSI { 427} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 3.600 1.700 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.929 ppm2 5.751 CV 1 ASSI { 428} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.908 ppm2 8.719 CV 1 ASSI { 429} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HN )) 3.200 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.909 ppm2 8.029 CV 1 ASSI { 433} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 3.700 3.700 2.300 peak 433 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.910 ppm2 3.176 CV 1 ASSI { 435} (( segid " " and resid 19 and name HN )) ( segid " " and resid 12 and name HG1%) 3.200 1.200 1.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.908 ppm2 0.923 CV 1 ASSI { 436} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.908 ppm2 8.219 CV 1 ASSI { 438} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.000 2.000 2.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.907 ppm2 2.990 CV 1 ASSI { 439} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.600 1.600 1.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.907 ppm2 2.359 CV 1 ASSI { 440} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HG2 )) 3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.908 ppm2 1.907 CV 1 OR { 440} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HB2 )) OR { 440} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 443} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.908 ppm2 1.160 CV 1 ASSI { 444} (( segid " " and resid 19 and name HN )) ( segid " " and resid 148 and name HG2%) 3.700 1.700 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.906 ppm2 0.690 CV 1 ASSI { 446} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 3.600 1.600 1.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.901 ppm2 9.672 CV 1 ASSI { 447} (( segid " " and resid 100 and name HN )) (( segid " " and resid 76 and name HA )) 3.500 1.500 1.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.900 ppm2 5.902 CV 1 ASSI { 448} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.903 ppm2 5.298 CV 1 ASSI { 449} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.901 ppm2 4.775 CV 1 ASSI { 450} (( segid " " and resid 100 and name HN )) (( segid " " and resid 111 and name HA )) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.902 ppm2 4.290 CV 1 ASSI { 452} (( segid " " and resid 100 and name HN )) (( segid " " and resid 112 and name HB1 )) 3.600 1.600 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.901 ppm2 2.497 CV 1 OR { 452} (( segid " " and resid 100 and name HN )) (( segid " " and resid 112 and name HB2 )) ASSI { 453} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB )) 3.500 1.500 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.902 ppm2 1.695 CV 1 ASSI { 454} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HG2%) 3.900 1.900 1.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.901 ppm2 1.217 CV 1 ASSI { 456} (( segid " " and resid 100 and name HN )) ( segid " " and resid 113 and name HG2%) 3.900 1.900 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.900 ppm2 0.184 CV 1 ASSI { 457} (( segid " " and resid 100 and name HN )) ( segid " " and resid 111 and name HG1%) 3.900 1.900 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.901 ppm2 -0.033 CV 1 ASSI { 459} (( segid " " and resid 100 and name HN )) (( segid " " and resid 112 and name HN )) 2.800 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.900 ppm2 8.657 CV 1 ASSI { 460} (( segid " " and resid 100 and name HN )) (( segid " " and resid 112 and name HA )) 3.400 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.897 ppm2 5.073 CV 1 ASSI { 461} (( segid " " and resid 100 and name HN )) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.900 ppm2 4.553 CV 1 ASSI { 462} (( segid " " and resid 100 and name HN )) ( segid " " and resid 113 and name HG1%) 4.200 2.200 1.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.897 ppm2 -0.556 CV 1 ASSI { 463} (( segid " " and resid 53 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.000 2.000 2.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.894 ppm2 2.798 CV 1 ASSI { 466} (( segid " " and resid 53 and name HN )) (( segid " " and resid 68 and name HN )) 3.900 1.900 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.890 ppm2 8.409 CV 1 ASSI { 467} (( segid " " and resid 53 and name HN )) (( segid " " and resid 66 and name HN )) 2.600 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.891 ppm2 7.627 CV 1 ASSI { 469} (( segid " " and resid 53 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.800 1.800 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.891 ppm2 5.513 CV 1 ASSI { 471} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.892 ppm2 5.119 CV 1 ASSI { 472} (( segid " " and resid 53 and name HN )) (( segid " " and resid 66 and name HA1 )) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.890 ppm2 3.117 CV 1 ASSI { 473} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.500 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.891 ppm2 2.357 CV 1 ASSI { 475} (( segid " " and resid 53 and name HN )) (( segid " " and resid 68 and name HB )) 4.400 2.400 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.891 ppm2 1.480 CV 1 ASSI { 477} (( segid " " and resid 53 and name HN )) (( segid " " and resid 68 and name HG11)) 3.500 1.500 1.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.890 ppm2 0.841 CV 1 ASSI { 478} (( segid " " and resid 53 and name HN )) ( segid " " and resid 68 and name HD1%) 4.000 2.000 2.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.890 ppm2 0.315 CV 1 OR { 478} (( segid " " and resid 53 and name HN )) (( segid " " and resid 68 and name HG12)) ASSI { 481} (( segid " " and resid 53 and name HN )) (( segid " " and resid 67 and name HA )) 3.500 1.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.889 ppm2 4.917 CV 1 ASSI { 482} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HD2 )) 2.400 2.400 3.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.888 ppm2 3.268 CV 1 ASSI { 487} (( segid " " and resid 113 and name HN )) (( segid " " and resid 100 and name HB )) 3.300 3.300 2.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.898 ppm2 3.932 CV 1 ASSI { 488} (( segid " " and resid 113 and name HN )) (( segid " " and resid 7 and name HB2 )) 4.200 2.200 1.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.898 ppm2 1.690 CV 1 ASSI { 489} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.895 ppm2 8.673 CV 1 ASSI { 490} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.895 ppm2 4.548 CV 1 ASSI { 491} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HA )) 2.400 2.400 3.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.894 ppm2 4.305 CV 1 ASSI { 492} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.600 1.700 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.894 ppm2 2.512 CV 1 ASSI { 493} (( segid " " and resid 113 and name HN )) (( segid " " and resid 7 and name HG1 )) 3.100 1.200 1.200 peak 493 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.894 ppm2 1.543 CV 1 OR { 493} (( segid " " and resid 113 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 495} (( segid " " and resid 113 and name HN )) ( segid " " and resid 99 and name HG2%) 3.800 1.800 1.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 0.791 CV 1 ASSI { 496} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HG2%) 3.400 1.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.894 ppm2 0.187 CV 1 ASSI { 497} (( segid " " and resid 113 and name HN )) ( segid " " and resid 111 and name HG1%) 2.400 2.400 3.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.894 ppm2 -0.031 CV 1 ASSI { 498} (( segid " " and resid 113 and name HN )) ( segid " " and resid 99 and name HG1%) 3.600 1.600 1.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.896 ppm2 -0.365 CV 1 ASSI { 500} (( segid " " and resid 113 and name HN )) (( segid " " and resid 9 and name HA )) 3.200 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 5.899 CV 1 ASSI { 501} (( segid " " and resid 113 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.400 2.400 3.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 3.601 CV 1 OR { 501} (( segid " " and resid 113 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 502} (( segid " " and resid 113 and name HN )) (( segid " " and resid 8 and name HB1 )) 2.900 1.000 1.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 2.194 CV 1 ASSI { 505} (( segid " " and resid 113 and name HN )) (( segid " " and resid 7 and name HA )) 3.800 1.800 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 5.474 CV 1 ASSI { 507} (( segid " " and resid 113 and name HN )) (( segid " " and resid 8 and name HN )) 2.100 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 8.026 CV 1 ASSI { 508} (( segid " " and resid 10 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.874 ppm2 1.336 CV 1 ASSI { 512} (( segid " " and resid 10 and name HN )) (( segid " " and resid 112 and name HA )) 3.600 1.600 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.876 ppm2 5.069 CV 1 ASSI { 513} (( segid " " and resid 10 and name HN )) (( segid " " and resid 110 and name HA )) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.874 ppm2 4.847 CV 1 ASSI { 516} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.800 3.800 2.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.876 ppm2 3.128 CV 1 ASSI { 517} (( segid " " and resid 10 and name HN )) (( segid " " and resid 112 and name HB1 )) 3.700 3.700 2.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.875 ppm2 2.482 CV 1 ASSI { 518} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB )) 2.900 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.874 ppm2 2.174 CV 1 ASSI { 519} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HG2%) 3.300 1.300 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.875 ppm2 1.008 CV 1 OR { 519} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HG1%) ASSI { 521} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 3.500 1.500 1.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.872 ppm2 5.290 CV 1 ASSI { 523} (( segid " " and resid 10 and name HN )) (( segid " " and resid 111 and name HB )) 4.000 2.000 2.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.873 ppm2 2.004 CV 1 ASSI { 527} (( segid " " and resid 55 and name HN )) (( segid " " and resid 38 and name HA )) 3.400 3.400 2.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.860 ppm2 4.386 CV 1 ASSI { 528} (( segid " " and resid 55 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.860 ppm2 3.060 CV 1 ASSI { 529} (( segid " " and resid 55 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.200 1.300 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.860 ppm2 2.842 CV 1 ASSI { 530} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) 3.000 1.100 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.860 ppm2 2.666 CV 1 OR { 530} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 531} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.877 ppm2 9.686 CV 1 ASSI { 532} (( segid " " and resid 98 and name HN )) (( segid " " and resid 116 and name HN )) 4.100 2.100 1.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.873 ppm2 9.235 CV 1 ASSI { 533} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 2.500 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.873 ppm2 5.955 CV 1 ASSI { 534} (( segid " " and resid 98 and name HN )) (( segid " " and resid 115 and name HA )) 3.400 1.500 1.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.872 ppm2 5.435 CV 1 ASSI { 536} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.300 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.872 ppm2 2.585 CV 1 ASSI { 537} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 3.900 1.900 1.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.872 ppm2 2.164 CV 1 ASSI { 538} (( segid " " and resid 98 and name HN )) (( segid " " and resid 114 and name HB1 )) 3.200 1.300 1.300 peak 538 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.871 ppm2 1.936 CV 1 ASSI { 539} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HG2%) 3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.873 ppm2 1.164 CV 1 ASSI { 540} (( segid " " and resid 98 and name HN )) ( segid " " and resid 78 and name HG1%) 3.300 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.873 ppm2 0.732 CV 1 ASSI { 541} (( segid " " and resid 98 and name HN )) ( segid " " and resid 113 and name HG1%) 3.200 1.300 1.300 peak 541 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.873 ppm2 -0.551 CV 1 ASSI { 542} (( segid " " and resid 98 and name HN )) (( segid " " and resid 113 and name HA )) 3.600 1.600 1.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.868 ppm2 4.555 CV 1 ASSI { 543} (( segid " " and resid 95 and name HN )) ( segid " " and resid 118 and name HD% ) 3.500 1.500 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 7.172 CV 1 ASSI { 548} (( segid " " and resid 95 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 3.319 CV 1 ASSI { 549} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.855 ppm2 4.064 CV 1 ASSI { 550} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.855 ppm2 2.858 CV 1 ASSI { 551} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.854 ppm2 8.403 CV 1 ASSI { 552} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HD2 )) 3.200 1.200 1.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.854 ppm2 7.230 CV 1 ASSI { 554} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.900 1.100 1.100 peak 554 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.854 ppm2 3.327 CV 1 ASSI { 556} (( segid " " and resid 118 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.600 3.600 2.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.849 ppm2 3.802 CV 1 ASSI { 564} (( segid " " and resid 55 and name HN )) ( segid " " and resid 44 and name HD1%) 4.200 2.200 1.800 peak 564 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 0.812 CV 1 ASSI { 572} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.700 2.700 3.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.842 ppm2 2.246 CV 1 ASSI { 573} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HD% ) 3.300 1.400 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.839 ppm2 6.404 CV 1 ASSI { 577} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.840 ppm2 5.298 CV 1 ASSI { 580} (( segid " " and resid 55 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.400 1.400 1.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.839 ppm2 6.948 CV 1 ASSI { 588} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 3.100 1.200 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.841 ppm2 8.016 CV 1 ASSI { 591} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.300 1.400 1.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.840 ppm2 4.288 CV 1 ASSI { 592} (( segid " " and resid 95 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.300 3.300 2.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.842 ppm2 4.079 CV 1 ASSI { 594} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HB1 )) 3.700 1.800 1.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.840 ppm2 1.933 CV 1 ASSI { 598} (( segid " " and resid 95 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.300 3.300 2.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.836 ppm2 3.125 CV 1 ASSI { 600} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG1 )) 3.700 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.817 ppm2 2.041 CV 1 ASSI { 601} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.816 ppm2 5.304 CV 1 ASSI { 602} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.600 0.900 0.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.816 ppm2 4.924 CV 1 ASSI { 603} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.400 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.816 ppm2 2.217 CV 1 OR { 603} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) ASSI { 604} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB )) 2.900 1.100 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.817 ppm2 1.711 CV 1 ASSI { 605} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG11)) 3.900 1.900 1.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.816 ppm2 1.552 CV 1 ASSI { 606} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG12)) 2.400 0.700 0.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.817 ppm2 1.051 CV 1 OR { 606} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 608} (( segid " " and resid 5 and name HN )) ( segid " " and resid 6 and name HG2%) 3.400 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.790 ppm2 1.112 CV 1 ASSI { 611} (( segid " " and resid 5 and name HN )) (( segid " " and resid 2 and name HN )) 3.200 1.300 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.792 ppm2 7.212 CV 1 ASSI { 612} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HE% ) 3.800 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.791 ppm2 7.074 CV 1 ASSI { 613} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.793 ppm2 5.276 CV 1 ASSI { 614} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HA )) 3.700 3.700 2.300 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.793 ppm2 4.867 CV 1 ASSI { 616} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HD2 )) 3.000 1.100 1.100 peak 616 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.792 ppm2 4.095 CV 1 ASSI { 617} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.792 ppm2 3.082 CV 1 ASSI { 618} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.000 1.100 1.100 peak 618 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.792 ppm2 2.721 CV 1 ASSI { 620} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.790 ppm2 2.038 CV 1 ASSI { 622} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HN )) 4.000 2.000 2.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.790 ppm2 8.603 CV 1 ASSI { 624} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG1 )) 3.800 1.800 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.772 ppm2 0.885 CV 1 ASSI { 626} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 8.243 CV 1 ASSI { 629} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD% ) 4.000 2.000 2.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 6.169 CV 1 ASSI { 630} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 3.000 1.100 1.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 4.305 CV 1 ASSI { 632} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) 2.900 1.100 1.100 peak 632 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 3.301 CV 1 ASSI { 633} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.700 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 3.136 CV 1 ASSI { 635} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.100 2.100 3.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 1.973 CV 1 ASSI { 637} (( segid " " and resid 23 and name HN )) ( segid " " and resid 148 and name HD1%) 3.500 1.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 0.379 CV 1 ASSI { 642} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.780 ppm2 4.995 CV 1 ASSI { 643} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.779 ppm2 3.954 CV 1 ASSI { 644} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB1 )) 3.600 1.600 1.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.779 ppm2 2.535 CV 1 ASSI { 646} (( segid " " and resid 101 and name HN )) ( segid " " and resid 99 and name HG1%) 3.100 1.200 1.200 peak 646 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.780 ppm2 -0.366 CV 1 ASSI { 649} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HD% ) 3.400 1.400 1.400 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.776 ppm2 7.063 CV 1 ASSI { 651} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HN )) 3.300 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.775 ppm2 8.291 CV 1 ASSI { 652} (( segid " " and resid 72 and name HN )) ( segid " " and resid 20 and name HE% ) 3.100 1.200 1.200 peak 652 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.776 ppm2 7.170 CV 1 ASSI { 656} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.900 1.900 1.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.777 ppm2 2.606 CV 1 ASSI { 658} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HG2 )) 2.800 1.000 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.775 ppm2 1.400 CV 1 ASSI { 659} (( segid " " and resid 72 and name HN )) ( segid " " and resid 20 and name HD% ) 3.400 3.400 2.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.774 ppm2 7.053 CV 1 ASSI { 661} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.775 ppm2 2.185 CV 1 ASSI { 662} (( segid " " and resid 72 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.600 1.600 1.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.774 ppm2 1.552 CV 1 OR { 662} (( segid " " and resid 72 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 662} (( segid " " and resid 72 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 663} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HG1 )) 3.400 1.400 1.400 peak 663 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.775 ppm2 1.169 CV 1 ASSI { 666} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HB )) 3.500 1.500 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.774 ppm2 3.981 CV 1 ASSI { 671} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.763 ppm2 8.571 CV 1 ASSI { 683} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HE% ) 3.800 1.800 1.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.773 ppm2 7.199 CV 1 ASSI { 685} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HD22)) 3.800 1.800 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.773 ppm2 6.631 CV 1 ASSI { 696} (( segid " " and resid 69 and name HN )) (( segid " " and resid 80 and name HN )) 3.600 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.730 ppm2 9.948 CV 1 ASSI { 700} (( segid " " and resid 69 and name HN )) ( segid " " and resid 79 and name HD1%) 4.300 2.400 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.730 ppm2 0.180 CV 1 ASSI { 701} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 2.600 0.800 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.729 ppm2 7.572 CV 1 ASSI { 703} (( segid " " and resid 69 and name HN )) (( segid " " and resid 79 and name HA )) 2.600 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.729 ppm2 4.501 CV 1 ASSI { 705} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HG2 )) 3.300 1.300 1.300 peak 705 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.729 ppm2 1.764 CV 1 ASSI { 706} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.800 1.800 1.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.729 ppm2 1.536 CV 1 ASSI { 707} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.500 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.729 ppm2 1.328 CV 1 ASSI { 708} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HG12)) 4.100 2.100 1.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.729 ppm2 0.337 CV 1 OR { 708} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HD1%) ASSI { 709} (( segid " " and resid 69 and name HN )) ( segid " " and resid 79 and name HG2%) 4.000 2.000 2.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.728 ppm2 -0.117 CV 1 ASSI { 710} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HD2 )) 2.700 0.900 0.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.730 ppm2 2.968 CV 1 OR { 710} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HD1 )) ASSI { 711} (( segid " " and resid 69 and name HN )) ( segid " " and resid 71 and name HG2%) 4.300 2.300 1.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.732 ppm2 1.142 CV 1 ASSI { 712} (( segid " " and resid 69 and name HN )) (( segid " " and resid 78 and name HN )) 3.300 1.400 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.728 ppm2 8.533 CV 1 ASSI { 713} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 3.400 1.500 1.500 peak 713 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.718 ppm2 9.947 CV 1 ASSI { 717} (( segid " " and resid 79 and name HN )) (( segid " " and resid 96 and name HA )) 3.400 1.400 1.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 5.416 CV 1 ASSI { 718} (( segid " " and resid 79 and name HN )) (( segid " " and resid 98 and name HA )) 3.900 1.900 1.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 5.164 CV 1 ASSI { 720} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 4.511 CV 1 ASSI { 721} (( segid " " and resid 79 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.400 1.500 1.500 peak 721 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.715 ppm2 1.900 CV 1 OR { 721} (( segid " " and resid 79 and name HN )) (( segid " " and resid 96 and name HG2 )) OR { 721} (( segid " " and resid 79 and name HN )) (( segid " " and resid 96 and name HB1 )) ASSI { 722} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB )) 3.600 1.600 1.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 1.730 CV 1 ASSI { 723} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.400 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 1.563 CV 1 OR { 723} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 724} (( segid " " and resid 79 and name HN )) ( segid " " and resid 98 and name HG2%) 4.500 2.500 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.716 ppm2 1.169 CV 1 ASSI { 725} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 4.100 2.100 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.716 ppm2 0.904 CV 1 ASSI { 726} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG1%) 3.400 1.500 1.500 peak 726 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.716 ppm2 0.714 CV 1 ASSI { 727} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG11)) 3.600 1.600 1.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.716 ppm2 0.348 CV 1 ASSI { 728} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB )) 3.100 1.200 1.200 peak 728 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.716 ppm2 -0.015 CV 1 ASSI { 730} (( segid " " and resid 71 and name HN )) (( segid " " and resid 78 and name HN )) 3.600 1.600 1.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.715 ppm2 8.529 CV 1 ASSI { 731} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 3.400 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.715 ppm2 7.571 CV 1 ASSI { 734} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.600 3.600 2.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 2.936 CV 1 ASSI { 737} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 4.100 2.100 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.714 ppm2 1.694 CV 1 ASSI { 738} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.714 ppm2 1.586 CV 1 ASSI { 740} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HG2%) 3.100 1.200 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.715 ppm2 1.165 CV 1 ASSI { 742} (( segid " " and resid 71 and name HN )) ( segid " " and resid 68 and name HG2%) 3.100 1.200 1.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.716 ppm2 0.601 CV 1 ASSI { 744} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HN )) 3.300 1.300 1.300 peak 744 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 8.532 CV 1 ASSI { 745} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HN )) 3.400 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 8.234 CV 1 ASSI { 746} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 8.040 CV 1 ASSI { 748} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD% ) 3.800 1.800 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.712 ppm2 7.047 CV 1 ASSI { 751} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HA )) 3.000 1.100 1.100 peak 751 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 4.117 CV 1 ASSI { 752} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.100 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 4.026 CV 1 ASSI { 753} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.200 1.300 1.300 peak 753 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 3.867 CV 1 ASSI { 755} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.100 1.200 1.200 peak 755 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 2.980 CV 1 ASSI { 756} (( segid " " and resid 20 and name HN )) (( segid " " and resid 101 and name HB1 )) 3.500 3.500 2.500 peak 756 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.712 ppm2 2.541 CV 1 ASSI { 757} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) 2.500 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 2.365 CV 1 ASSI { 758} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.714 ppm2 2.134 CV 1 ASSI { 759} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.500 1.500 1.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.712 ppm2 1.940 CV 1 OR { 759} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 760} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HG1 )) 3.200 1.300 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 1.795 CV 1 ASSI { 762} (( segid " " and resid 20 and name HN )) ( segid " " and resid 109 and name HG2%) 3.800 1.800 1.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.713 ppm2 1.282 CV 1 ASSI { 763} (( segid " " and resid 20 and name HN )) ( segid " " and resid 12 and name HG1%) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.712 ppm2 0.911 CV 1 ASSI { 765} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HB )) 3.500 3.500 2.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.701 ppm2 4.362 CV 1 ASSI { 767} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.900 1.100 1.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.701 ppm2 8.324 CV 1 ASSI { 768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.701 ppm2 7.550 CV 1 ASSI { 771} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HA1 )) 3.900 1.900 1.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.701 ppm2 3.954 CV 1 ASSI { 773} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.700 1.700 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.700 ppm2 3.074 CV 1 ASSI { 775} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 3.700 1.800 1.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.700 ppm2 1.743 CV 1 ASSI { 776} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HG2 )) 2.700 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.702 ppm2 1.478 CV 1 OR { 776} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HG1 )) ASSI { 777} (( segid " " and resid 89 and name HN )) (( segid " " and resid 128 and name HA )) 4.200 2.200 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.700 ppm2 3.996 CV 1 ASSI { 780} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.900 1.100 1.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.698 ppm2 3.580 CV 1 ASSI { 782} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.300 1.400 1.400 peak 782 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.697 ppm2 1.882 CV 1 ASSI { 787} (( segid " " and resid 57 and name HN )) (( segid " " and resid 38 and name HB )) 3.400 3.400 2.600 peak 787 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.689 ppm2 4.070 CV 1 ASSI { 789} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HG11)) 4.300 2.300 1.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 790} (( segid " " and resid 57 and name HN )) (( segid " " and resid 63 and name HN )) 3.500 1.500 1.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.685 ppm2 9.884 CV 1 ASSI { 792} (( segid " " and resid 57 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.000 1.100 1.100 peak 792 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 6.983 CV 1 ASSI { 794} (( segid " " and resid 57 and name HN )) (( segid " " and resid 61 and name HA )) 2.300 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 4.210 CV 1 ASSI { 795} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.600 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 3.525 CV 1 ASSI { 796} (( segid " " and resid 57 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.200 3.200 2.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 3.030 CV 1 ASSI { 797} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB1 )) 2.800 1.000 1.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 2.622 CV 1 ASSI { 798} (( segid " " and resid 57 and name HN )) (( segid " " and resid 61 and name HG2 )) 3.700 1.700 1.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.686 ppm2 2.176 CV 1 ASSI { 799} (( segid " " and resid 57 and name HN )) (( segid " " and resid 61 and name HB1 )) 4.200 2.200 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 1.937 CV 1 OR { 799} (( segid " " and resid 57 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 800} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB )) 3.400 1.500 1.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 1.703 CV 1 ASSI { 802} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HD1%) 4.200 2.200 1.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 0.887 CV 1 ASSI { 803} (( segid " " and resid 57 and name HN )) ( segid " " and resid 38 and name HG2%) 3.500 1.600 1.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.687 ppm2 0.679 CV 1 ASSI { 805} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HA )) 3.200 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.663 ppm2 3.504 CV 1 ASSI { 806} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HN )) 2.800 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.662 ppm2 8.461 CV 1 ASSI { 807} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HN )) 2.900 1.000 1.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.663 ppm2 7.659 CV 1 ASSI { 808} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.600 3.600 2.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.664 ppm2 4.557 CV 1 ASSI { 810} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HA )) 3.100 3.100 2.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.662 ppm2 4.121 CV 1 ASSI { 811} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 3.100 1.200 1.200 peak 811 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.663 ppm2 3.358 CV 1 ASSI { 815} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 815 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.663 ppm2 2.372 CV 1 OR { 815} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 816} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.600 1.600 1.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.662 ppm2 1.965 CV 1 ASSI { 817} (( segid " " and resid 146 and name HN )) (( segid " " and resid 148 and name HB )) 3.400 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.662 ppm2 1.770 CV 1 ASSI { 820} (( segid " " and resid 146 and name HN )) ( segid " " and resid 10 and name HG1%) 2.400 2.400 3.600 peak 820 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.663 ppm2 1.002 CV 1 OR { 820} (( segid " " and resid 146 and name HN )) ( segid " " and resid 10 and name HG2%) ASSI { 824} (( segid " " and resid 52 and name HN )) (( segid " " and resid 68 and name HN )) 3.600 1.600 1.600 peak 824 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.657 ppm2 8.460 CV 1 ASSI { 825} (( segid " " and resid 52 and name HN )) (( segid " " and resid 46 and name HA )) 3.600 1.600 1.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.654 ppm2 4.990 CV 1 ASSI { 826} (( segid " " and resid 52 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.000 1.100 1.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.655 ppm2 2.828 CV 1 ASSI { 827} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 827 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.655 ppm2 1.943 CV 1 ASSI { 829} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 8.869 CV 1 ASSI { 830} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.652 ppm2 7.555 CV 1 ASSI { 831} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 5.338 CV 1 ASSI { 832} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA1 )) 3.700 1.700 1.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 3.990 CV 1 ASSI { 833} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 3.252 CV 1 ASSI { 834} (( segid " " and resid 52 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.000 1.100 1.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 3.088 CV 1 ASSI { 836} (( segid " " and resid 52 and name HN )) (( segid " " and resid 68 and name HG11)) 3.100 1.200 1.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.653 ppm2 0.860 CV 1 ASSI { 837} (( segid " " and resid 52 and name HN )) ( segid " " and resid 54 and name HD% ) 3.400 1.500 1.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.652 ppm2 6.400 CV 1 ASSI { 838} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA2 )) 2.700 0.900 0.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 3.806 CV 1 ASSI { 839} (( segid " " and resid 52 and name HN )) (( segid " " and resid 68 and name HB )) 3.700 1.700 1.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 1.466 CV 1 ASSI { 840} (( segid " " and resid 52 and name HN )) ( segid " " and resid 68 and name HD1%) 2.900 1.000 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.652 ppm2 0.312 CV 1 ASSI { 841} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 3.100 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.656 ppm2 4.137 CV 1 ASSI { 842} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.100 1.200 1.200 peak 842 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.654 ppm2 1.999 CV 1 ASSI { 843} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) 3.200 1.300 1.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.651 ppm2 1.622 CV 1 ASSI { 844} (( segid " " and resid 112 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.400 1.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.642 ppm2 5.886 CV 1 ASSI { 845} (( segid " " and resid 112 and name HN )) (( segid " " and resid 100 and name HA )) 3.200 1.300 1.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.644 ppm2 5.290 CV 1 ASSI { 851} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.640 ppm2 5.045 CV 1 ASSI { 852} (( segid " " and resid 112 and name HN )) (( segid " " and resid 99 and name HA )) 3.700 1.700 1.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.640 ppm2 4.766 CV 1 ASSI { 856} (( segid " " and resid 112 and name HN )) (( segid " " and resid 100 and name HB )) 2.900 1.000 1.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.640 ppm2 3.938 CV 1 ASSI { 857} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB1 )) 3.100 1.200 1.200 peak 857 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.640 ppm2 2.497 CV 1 OR { 857} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) ASSI { 858} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB )) 3.700 1.700 1.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.640 ppm2 2.009 CV 1 ASSI { 859} (( segid " " and resid 112 and name HN )) ( segid " " and resid 100 and name HG2%) 3.600 1.600 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.640 ppm2 1.237 CV 1 ASSI { 860} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HG2%) 2.800 1.000 1.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.641 ppm2 0.890 CV 1 ASSI { 863} (( segid " " and resid 112 and name HN )) (( segid " " and resid 7 and name HG1 )) 3.600 3.600 2.400 peak 863 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.638 ppm2 1.550 CV 1 OR { 863} (( segid " " and resid 112 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 864} (( segid " " and resid 112 and name HN )) ( segid " " and resid 113 and name HG2%) 3.800 1.800 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.641 ppm2 0.175 CV 1 ASSI { 865} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 3.500 1.500 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.635 ppm2 10.208 CV 1 ASSI { 866} (( segid " " and resid 114 and name HN )) (( segid " " and resid 7 and name HG1 )) 3.200 3.200 2.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.634 ppm2 1.550 CV 1 ASSI { 867} (( segid " " and resid 114 and name HN )) (( segid " " and resid 98 and name HN )) 2.800 1.000 1.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.632 ppm2 8.879 CV 1 ASSI { 868} (( segid " " and resid 114 and name HN )) (( segid " " and resid 97 and name HA )) 3.500 1.600 1.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 5.949 CV 1 ASSI { 869} (( segid " " and resid 114 and name HN )) (( segid " " and resid 7 and name HA )) 3.600 1.600 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.634 ppm2 5.445 CV 1 ASSI { 870} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 5.189 CV 1 ASSI { 871} (( segid " " and resid 114 and name HN )) (( segid " " and resid 99 and name HA )) 3.800 1.800 1.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 4.761 CV 1 ASSI { 874} (( segid " " and resid 114 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.400 3.400 2.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.632 ppm2 2.569 CV 1 ASSI { 875} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.100 1.200 1.200 peak 875 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 2.148 CV 1 OR { 875} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HG2 )) ASSI { 877} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB )) 3.500 1.600 1.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 1.201 CV 1 ASSI { 878} (( segid " " and resid 114 and name HN )) ( segid " " and resid 99 and name HG2%) 2.400 2.400 3.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 0.800 CV 1 ASSI { 880} (( segid " " and resid 114 and name HN )) ( segid " " and resid 99 and name HG1%) 2.400 2.400 3.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.633 ppm2 -0.363 CV 1 ASSI { 887} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 8.241 CV 1 ASSI { 888} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 7.880 CV 1 ASSI { 889} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HN )) 3.800 1.800 1.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.619 ppm2 6.390 CV 1 ASSI { 891} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HA )) 2.900 1.100 1.100 peak 891 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 4.190 CV 1 ASSI { 892} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HB1 )) 3.700 1.700 1.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 3.289 CV 1 ASSI { 894} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.100 1.200 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 2.527 CV 1 OR { 894} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG2 )) OR { 894} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) ASSI { 896} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.500 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 1.974 CV 1 ASSI { 897} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG )) 3.400 1.400 1.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 1.661 CV 1 ASSI { 898} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.600 2.600 3.400 peak 898 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.620 ppm2 1.476 CV 1 ASSI { 901} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.000 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.609 ppm2 4.880 CV 1 ASSI { 902} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 3.200 1.300 1.300 peak 902 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.609 ppm2 4.714 CV 1 ASSI { 903} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.900 1.100 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.609 ppm2 3.010 CV 1 ASSI { 904} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB1 )) 3.400 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.609 ppm2 2.816 CV 1 ASSI { 908} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 3.200 1.300 1.300 peak 908 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.567 ppm2 8.020 CV 1 ASSI { 909} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 909 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.566 ppm2 5.476 CV 1 ASSI { 910} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HA )) 3.100 3.100 2.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.565 ppm2 4.729 CV 1 ASSI { 913} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD1 )) 3.800 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.564 ppm2 3.031 CV 1 OR { 913} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD2 )) ASSI { 914} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 2.600 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.564 ppm2 1.530 CV 1 ASSI { 916} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) 3.800 1.800 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.564 ppm2 1.126 CV 1 ASSI { 917} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 3.500 1.500 1.500 peak 917 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.562 ppm2 2.399 CV 1 ASSI { 918} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HB1 )) 3.800 1.800 1.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.559 ppm2 3.293 CV 1 ASSI { 920} (( segid " " and resid 22 and name HN )) ( segid " " and resid 18 and name HG2%) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.559 ppm2 1.153 CV 1 ASSI { 922} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 922 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.557 ppm2 8.235 CV 1 ASSI { 923} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.900 1.100 1.100 peak 923 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.558 ppm2 8.043 CV 1 ASSI { 925} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB )) 2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.558 ppm2 4.395 CV 1 ASSI { 927} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.900 1.900 1.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.557 ppm2 3.137 CV 1 ASSI { 929} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 2.600 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.558 ppm2 1.980 CV 1 ASSI { 930} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.000 2.000 2.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.557 ppm2 1.755 CV 1 ASSI { 931} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.100 1.200 1.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.558 ppm2 1.576 CV 1 ASSI { 932} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HG2%) 3.800 1.800 1.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.558 ppm2 1.318 CV 1 ASSI { 933} (( segid " " and resid 22 and name HN )) ( segid " " and resid 148 and name HD1%) 3.600 1.600 1.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.558 ppm2 0.381 CV 1 ASSI { 935} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.551 ppm2 8.762 CV 1 ASSI { 937} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HN )) 3.300 3.300 2.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.551 ppm2 8.236 CV 1 ASSI { 938} (( segid " " and resid 73 and name HN )) ( segid " " and resid 20 and name HE% ) 3.300 1.300 1.300 peak 938 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.551 ppm2 7.139 CV 1 ASSI { 942} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HA )) 3.300 1.400 1.400 peak 942 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.552 ppm2 4.371 CV 1 ASSI { 943} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.900 1.000 1.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.551 ppm2 2.964 CV 1 ASSI { 948} (( segid " " and resid 73 and name HN )) ( segid " " and resid 71 and name HG2%) 2.400 2.400 3.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.551 ppm2 1.164 CV 1 ASSI { 949} (( segid " " and resid 73 and name HN )) ( segid " " and resid 71 and name HG1%) 3.100 1.200 1.200 peak 949 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.553 ppm2 0.887 CV 1 ASSI { 952} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 3.000 1.100 1.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.544 ppm2 4.747 CV 1 ASSI { 953} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA1 )) 3.100 1.200 1.200 peak 953 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.544 ppm2 3.833 CV 1 OR { 953} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA2 )) ASSI { 957} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) 3.000 1.100 1.100 peak 957 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.534 ppm2 8.202 CV 1 ASSI { 958} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HB1 )) 4.100 2.100 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.534 ppm2 2.911 CV 1 ASSI { 963} (( segid " " and resid 96 and name HN )) ( segid " " and resid 97 and name HE% ) 3.500 3.500 2.500 peak 963 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.549 ppm2 7.215 CV 1 ASSI { 964} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 3.000 1.100 1.100 peak 964 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.550 ppm2 5.430 CV 1 ASSI { 966} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.900 1.100 1.100 peak 966 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.549 ppm2 4.984 CV 1 ASSI { 967} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.400 1.400 1.400 peak 967 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.549 ppm2 4.288 CV 1 ASSI { 969} (( segid " " and resid 96 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.800 1.800 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.549 ppm2 3.309 CV 1 ASSI { 970} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB1 )) 3.100 1.200 1.200 peak 970 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.549 ppm2 1.909 CV 1 OR { 970} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 971} (( segid " " and resid 96 and name HN )) ( segid " " and resid 78 and name HG1%) 3.800 3.800 2.200 peak 971 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.548 ppm2 0.686 CV 1 ASSI { 974} (( segid " " and resid 78 and name HN )) (( segid " " and resid 70 and name HN )) 2.900 1.000 1.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.538 ppm2 7.571 CV 1 ASSI { 976} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.539 ppm2 4.871 CV 1 ASSI { 977} (( segid " " and resid 78 and name HN )) (( segid " " and resid 71 and name HA )) 3.300 1.400 1.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.538 ppm2 4.395 CV 1 ASSI { 980} (( segid " " and resid 78 and name HN )) (( segid " " and resid 70 and name HG2 )) 2.800 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 1.363 CV 1 ASSI { 982} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 3.000 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 0.911 CV 1 ASSI { 983} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG1%) 3.600 1.700 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 0.708 CV 1 ASSI { 1005} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 3.500 1.600 1.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.499 ppm2 8.859 CV 1 ASSI { 1007} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HA )) 3.200 3.200 2.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.499 ppm2 5.094 CV 1 ASSI { 1014} (( segid " " and resid 11 and name HN )) (( segid " " and resid 145 and name HG1 )) 3.500 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.497 ppm2 2.359 CV 1 OR { 1014} (( segid " " and resid 11 and name HN )) (( segid " " and resid 145 and name HB2 )) ASSI { 1015} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB )) 3.600 1.600 1.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.497 ppm2 2.158 CV 1 ASSI { 1017} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HG1%) 3.300 1.300 1.300 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.497 ppm2 1.011 CV 1 OR { 1017} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HG2%) ASSI { 1019} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 2.800 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.480 ppm2 7.870 CV 1 ASSI { 1020} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 2.800 1.000 1.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.480 ppm2 7.601 CV 1 ASSI { 1022} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HD1 )) 4.000 2.000 2.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.480 ppm2 2.890 CV 1 ASSI { 1023} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.500 1.600 1.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.480 ppm2 1.781 CV 1 OR { 1023} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) ASSI { 1025} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HG1%) 3.900 1.900 1.900 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.480 ppm2 1.323 CV 1 ASSI { 1032} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HN )) 3.300 3.300 2.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.467 ppm2 8.274 CV 1 ASSI { 1035} (( segid " " and resid 129 and name HN )) (( segid " " and resid 127 and name HN )) 3.300 1.300 1.300 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.466 ppm2 8.180 CV 1 ASSI { 1039} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB )) 2.800 1.000 1.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.466 ppm2 2.056 CV 1 ASSI { 1040} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.400 1.500 1.500 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.467 ppm2 1.778 CV 1 ASSI { 1045} (( segid " " and resid 129 and name HN )) ( segid " " and resid 89 and name HD1%) 3.800 1.800 1.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.458 ppm2 0.751 CV 1 ASSI { 1046} (( segid " " and resid 134 and name HN )) (( segid " " and resid 136 and name HN )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 8.274 CV 1 ASSI { 1047} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 3.000 1.100 1.100 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 7.306 CV 1 ASSI { 1049} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 3.100 1.200 1.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 4.891 CV 1 ASSI { 1050} (( segid " " and resid 134 and name HN )) (( segid " " and resid 131 and name HA )) 2.400 2.400 3.600 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.466 ppm2 4.438 CV 1 ASSI { 1051} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HA )) 3.900 1.900 1.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.467 ppm2 4.239 CV 1 ASSI { 1052} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HA2 )) 3.400 1.500 1.500 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 3.833 CV 1 OR { 1052} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HA1 )) ASSI { 1054} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.100 1.200 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 2.958 CV 1 OR { 1054} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) ASSI { 1056} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.400 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 1.969 CV 1 ASSI { 1057} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HB1 )) 3.900 1.900 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.466 ppm2 1.583 CV 1 ASSI { 1058} (( segid " " and resid 134 and name HN )) ( segid " " and resid 129 and name HG1%) 2.400 2.400 3.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.465 ppm2 1.350 CV 1 ASSI { 1061} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 3.100 1.200 1.200 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.464 ppm2 4.756 CV 1 ASSI { 1062} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.448 ppm2 8.205 CV 1 ASSI { 1063} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HA1 )) 4.000 2.000 2.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.450 ppm2 3.825 CV 1 OR { 1063} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HA2 )) ASSI { 1064} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.100 1.200 1.200 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.448 ppm2 2.783 CV 1 OR { 1064} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) ASSI { 1065} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HG2 )) 3.300 1.300 1.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.450 ppm2 1.656 CV 1 ASSI { 1066} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HG2%) 2.400 2.400 3.600 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.449 ppm2 1.104 CV 1 ASSI { 1067} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 3.500 1.600 1.600 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.449 ppm2 0.668 CV 1 ASSI { 1068} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 2.900 1.100 1.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.448 ppm2 7.868 CV 1 ASSI { 1069} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HN )) 2.400 2.400 3.600 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.447 ppm2 7.598 CV 1 ASSI { 1070} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 3.100 1.200 1.200 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.447 ppm2 2.011 CV 1 ASSI { 1071} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HD21)) 3.400 1.400 1.400 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.439 ppm2 6.865 CV 1 ASSI { 1074} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HG1%) 3.500 1.500 1.500 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.450 ppm2 1.319 CV 1 ASSI { 1075} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.100 1.200 1.200 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.448 ppm2 4.440 CV 1 ASSI { 1082} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HN )) 2.800 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 7.780 CV 1 ASSI { 1085} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HA )) 3.000 1.100 1.100 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 4.117 CV 1 ASSI { 1088} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.600 1.600 1.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 2.761 CV 1 ASSI { 1089} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 2.370 CV 1 OR { 1089} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 1091} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB )) 3.700 1.700 1.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.443 ppm2 1.763 CV 1 ASSI { 1092} (( segid " " and resid 145 and name HN )) ( segid " " and resid 10 and name HG1%) 3.700 1.700 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 1.004 CV 1 OR { 1092} (( segid " " and resid 145 and name HN )) ( segid " " and resid 10 and name HG2%) ASSI { 1093} (( segid " " and resid 145 and name HN )) ( segid " " and resid 12 and name HG2%) 3.700 1.700 1.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.442 ppm2 0.748 CV 1 ASSI { 1094} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.700 3.700 2.300 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.440 ppm2 4.565 CV 1 ASSI { 1099} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 3.500 1.600 1.600 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.432 ppm2 8.737 CV 1 ASSI { 1101} (( segid " " and resid 68 and name HN )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.431 ppm2 5.343 CV 1 ASSI { 1103} (( segid " " and resid 68 and name HN )) (( segid " " and resid 51 and name HA1 )) 3.500 1.600 1.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.433 ppm2 3.985 CV 1 ASSI { 1104} (( segid " " and resid 68 and name HN )) (( segid " " and resid 51 and name HA2 )) 3.900 1.900 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.429 ppm2 3.811 CV 1 ASSI { 1107} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG )) 3.500 1.500 1.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.431 ppm2 1.276 CV 1 ASSI { 1108} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG11)) 2.300 0.700 0.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.431 ppm2 0.858 CV 1 ASSI { 1110} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG12)) 3.600 1.600 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.432 ppm2 0.324 CV 1 OR { 1110} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HD1%) ASSI { 1112} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.700 1.800 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.427 ppm2 2.383 CV 1 ASSI { 1113} (( segid " " and resid 75 and name HN )) (( segid " " and resid 16 and name HB2 )) 4.000 2.000 2.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.427 ppm2 1.960 CV 1 ASSI { 1115} (( segid " " and resid 75 and name HN )) (( segid " " and resid 101 and name HN )) 3.600 1.600 1.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.415 ppm2 8.767 CV 1 ASSI { 1116} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.800 1.000 1.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.415 ppm2 8.270 CV 1 ASSI { 1118} (( segid " " and resid 75 and name HN )) ( segid " " and resid 20 and name HE% ) 3.500 3.500 2.500 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 7.153 CV 1 ASSI { 1119} (( segid " " and resid 75 and name HN )) ( segid " " and resid 20 and name HD% ) 3.200 1.300 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 7.029 CV 1 ASSI { 1122} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) 3.200 1.300 1.300 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 5.890 CV 1 ASSI { 1124} (( segid " " and resid 75 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.415 ppm2 3.973 CV 1 ASSI { 1125} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HD2 )) 2.400 2.400 3.600 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 3.460 CV 1 ASSI { 1126} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 2.918 CV 1 ASSI { 1128} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.600 1.600 1.600 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.415 ppm2 2.125 CV 1 ASSI { 1130} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.200 1.300 1.300 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 1.465 CV 1 OR { 1130} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 1131} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HG2%) 3.600 1.700 1.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 1.223 CV 1 ASSI { 1132} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD1%) 3.100 1.200 1.200 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.415 ppm2 0.896 CV 1 OR { 1132} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 1135} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.300 1.300 1.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.427 ppm2 2.802 CV 1 OR { 1135} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) OR { 1135} (( segid " " and resid 131 and name HD22)) (( segid " " and resid 131 and name HB2 )) OR { 1135} (( segid " " and resid 131 and name HD22)) (( segid " " and resid 131 and name HB1 )) ASSI { 1136} (( segid " " and resid 131 and name HD22)) (( segid " " and resid 131 and name HD21)) 2.500 0.800 0.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 6.862 CV 1 ASSI { 1144} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 3.200 1.200 1.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.407 ppm2 4.256 CV 1 ASSI { 1145} (( segid " " and resid 34 and name HN )) (( segid " " and resid 140 and name HG12)) 3.000 1.100 1.100 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.406 ppm2 1.036 CV 1 ASSI { 1146} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HG1 )) 3.800 1.800 1.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.408 ppm2 0.873 CV 1 ASSI { 1148} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD22)) 3.700 1.700 1.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.405 ppm2 6.634 CV 1 ASSI { 1151} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.000 1.100 1.100 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.406 ppm2 2.905 CV 1 ASSI { 1157} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HB2 )) 2.400 2.400 3.600 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.382 ppm2 3.601 CV 1 ASSI { 1161} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB )) 3.400 1.500 1.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.396 ppm2 3.849 CV 1 ASSI { 1162} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.900 1.900 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.397 ppm2 3.306 CV 1 ASSI { 1163} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB1 )) 3.900 1.900 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.397 ppm2 2.862 CV 1 ASSI { 1165} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HG2%) 3.400 1.500 1.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.396 ppm2 0.678 CV 1 ASSI { 1168} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 3.400 1.500 1.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.381 ppm2 8.705 CV 1 ASSI { 1169} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) 3.600 1.600 1.600 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.381 ppm2 8.203 CV 1 ASSI { 1172} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.000 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.381 ppm2 4.094 CV 1 ASSI { 1173} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB2 )) 3.300 1.400 1.400 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.381 ppm2 3.528 CV 1 ASSI { 1174} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB1 )) 2.800 1.000 1.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.381 ppm2 2.618 CV 1 ASSI { 1176} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB1 )) 3.200 1.300 1.300 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.380 ppm2 2.098 CV 1 OR { 1176} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) ASSI { 1178} (( segid " " and resid 54 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.600 1.600 1.600 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.373 ppm2 3.103 CV 1 ASSI { 1179} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.400 1.500 1.500 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.369 ppm2 2.356 CV 1 ASSI { 1180} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.200 3.200 2.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.367 ppm2 2.188 CV 1 ASSI { 1183} (( segid " " and resid 54 and name HN )) (( segid " " and resid 46 and name HN )) 3.500 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.372 ppm2 8.207 CV 1 ASSI { 1185} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HE% ) 3.900 1.900 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.370 ppm2 6.547 CV 1 ASSI { 1186} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD% ) 2.800 1.000 1.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.370 ppm2 6.403 CV 1 ASSI { 1187} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.800 1.000 1.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.372 ppm2 5.601 CV 1 ASSI { 1190} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.300 1.400 1.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.372 ppm2 2.665 CV 1 OR { 1190} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 1191} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.700 1.700 1.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.371 ppm2 1.933 CV 1 ASSI { 1192} (( segid " " and resid 54 and name HN )) ( segid " " and resid 46 and name HG1%) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.371 ppm2 1.171 CV 1 ASSI { 1193} (( segid " " and resid 54 and name HN )) ( segid " " and resid 44 and name HD1%) 3.500 1.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.372 ppm2 0.842 CV 1 ASSI { 1195} (( segid " " and resid 61 and name HN )) (( segid " " and resid 57 and name HN )) 3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 8.701 CV 1 ASSI { 1196} (( segid " " and resid 61 and name HN )) (( segid " " and resid 56 and name HA )) 3.800 1.800 1.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 4.940 CV 1 ASSI { 1197} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HA )) 2.400 2.400 3.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.367 ppm2 4.510 CV 1 ASSI { 1198} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA2 )) 3.100 1.200 1.200 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 4.213 CV 1 ASSI { 1200} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA1 )) 3.400 1.400 1.400 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 3.513 CV 1 ASSI { 1201} (( segid " " and resid 61 and name HN )) (( segid " " and resid 57 and name HB1 )) 3.200 1.300 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 2.619 CV 1 ASSI { 1202} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HG2 )) 3.400 3.400 2.600 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 2.384 CV 1 ASSI { 1204} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG1 )) 3.200 1.300 1.300 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 1.938 CV 1 OR { 1204} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) OR { 1204} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB1 )) ASSI { 1205} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.600 3.600 2.400 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.365 ppm2 1.676 CV 1 ASSI { 1206} (( segid " " and resid 61 and name HN )) ( segid " " and resid 56 and name HG2%) 3.300 1.400 1.400 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.366 ppm2 1.055 CV 1 ASSI { 1208} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HA )) 3.600 1.600 1.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 5.018 CV 1 ASSI { 1210} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.349 ppm2 4.105 CV 1 ASSI { 1211} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HB2 )) 3.800 1.800 1.800 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 3.518 CV 1 ASSI { 1212} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HB1 )) 2.800 1.000 1.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 2.609 CV 1 ASSI { 1214} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.700 1.700 1.700 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 2.220 CV 1 ASSI { 1215} (( segid " " and resid 59 and name HN )) ( segid " " and resid 56 and name HG2%) 3.600 3.600 2.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 1.056 CV 1 ASSI { 1218} (( segid " " and resid 9 and name HN )) (( segid " " and resid 112 and name HA )) 3.400 1.500 1.500 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.348 ppm2 5.081 CV 1 ASSI { 1219} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) 3.700 1.700 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.347 ppm2 2.218 CV 1 ASSI { 1220} (( segid " " and resid 92 and name HN )) (( segid " " and resid 82 and name HN )) 2.400 2.400 3.600 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.344 ppm2 8.154 CV 1 ASSI { 1221} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.000 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.342 ppm2 3.306 CV 1 ASSI { 1231} (( segid " " and resid 9 and name HN )) ( segid " " and resid 10 and name HG2%) 3.400 1.400 1.400 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.349 ppm2 1.010 CV 1 OR { 1231} (( segid " " and resid 9 and name HN )) ( segid " " and resid 10 and name HG1%) ASSI { 1232} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.349 ppm2 4.730 CV 1 ASSI { 1235} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.600 1.600 1.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.349 ppm2 3.131 CV 1 ASSI { 1236} (( segid " " and resid 9 and name HN )) (( segid " " and resid 113 and name HB )) 4.100 2.100 1.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.346 ppm2 1.239 CV 1 ASSI { 1238} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HD1 )) 3.700 1.700 1.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.338 ppm2 4.262 CV 1 ASSI { 1242} (( segid " " and resid 92 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.800 1.800 1.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.349 ppm2 3.132 CV 1 ASSI { 1243} (( segid " " and resid 92 and name HN )) ( segid " " and resid 89 and name HD1%) 2.400 2.400 3.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.348 ppm2 0.764 CV 1 ASSI { 1244} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HN )) 3.800 1.800 1.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.344 ppm2 8.016 CV 1 ASSI { 1245} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.400 1.500 1.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.343 ppm2 2.241 CV 1 ASSI { 1249} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.700 1.700 1.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.338 ppm2 2.815 CV 1 ASSI { 1250} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HA )) 3.800 1.800 1.800 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.336 ppm2 5.120 CV 1 ASSI { 1255} (( segid " " and resid 104 and name HN )) (( segid " " and resid 110 and name HN )) 3.900 1.900 1.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.328 ppm2 9.847 CV 1 ASSI { 1257} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HN )) 3.500 1.500 1.500 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.329 ppm2 7.890 CV 1 ASSI { 1258} (( segid " " and resid 104 and name HN )) (( segid " " and resid 108 and name HN )) 3.000 1.100 1.100 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.328 ppm2 6.853 CV 1 ASSI { 1260} (( segid " " and resid 104 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 3.500 2.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.329 ppm2 5.111 CV 1 ASSI { 1265} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HA1 )) 3.600 1.600 1.600 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.328 ppm2 3.857 CV 1 ASSI { 1270} (( segid " " and resid 104 and name HN )) ( segid " " and resid 109 and name HG2%) 4.000 2.000 2.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.328 ppm2 1.260 CV 1 ASSI { 1272} (( segid " " and resid 104 and name HN )) (( segid " " and resid 109 and name HB )) 3.700 1.700 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.326 ppm2 3.670 CV 1 ASSI { 1273} (( segid " " and resid 104 and name HN )) (( segid " " and resid 16 and name HD1 )) 3.900 1.900 1.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.325 ppm2 3.191 CV 1 ASSI { 1275} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG1 )) 3.800 1.800 1.800 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 2.174 CV 1 ASSI { 1276} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.100 1.200 1.200 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 1.104 CV 1 ASSI { 1277} (( segid " " and resid 62 and name HN )) (( segid " " and resid 57 and name HN )) 2.900 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.313 ppm2 8.696 CV 1 ASSI { 1278} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HE22)) 2.600 0.900 0.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 7.560 CV 1 ASSI { 1279} (( segid " " and resid 62 and name HN )) (( segid " " and resid 56 and name HA )) 3.900 1.900 1.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 4.930 CV 1 ASSI { 1280} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.900 1.100 1.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 4.744 CV 1 ASSI { 1285} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.200 1.300 1.300 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.314 ppm2 3.050 CV 1 ASSI { 1286} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.500 1.500 1.500 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 1.932 CV 1 OR { 1286} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 1287} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.800 1.000 1.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.311 ppm2 1.623 CV 1 ASSI { 1290} (( segid " " and resid 62 and name HN )) (( segid " " and resid 57 and name HB1 )) 2.900 1.000 1.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.311 ppm2 2.644 CV 1 ASSI { 1291} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HG1 )) 3.700 1.700 1.700 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.311 ppm2 2.370 CV 1 ASSI { 1294} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HA1 )) 3.900 1.900 1.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 4.000 CV 1 ASSI { 1295} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HE2 )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.314 ppm2 3.050 CV 1 ASSI { 1296} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 3.700 1.700 1.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 1.933 CV 1 ASSI { 1302} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HG2 )) 3.700 1.700 1.700 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.311 ppm2 2.373 CV 1 OR { 1302} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HG1 )) ASSI { 1306} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 3.400 1.400 1.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 5.203 CV 1 ASSI { 1308} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.311 ppm2 7.554 CV 1 ASSI { 1309} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA1 )) 4.100 2.100 1.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.311 ppm2 3.731 CV 1 ASSI { 1313} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 4.568 CV 1 ASSI { 1314} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 4.123 CV 1 ASSI { 1317} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.700 0.900 0.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 1.938 CV 1 OR { 1317} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 1318} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) 3.600 1.600 1.600 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 1.767 CV 1 ASSI { 1320} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HD22)) 3.800 1.800 1.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.301 ppm2 6.860 CV 1 ASSI { 1322} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 3.100 1.200 1.200 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.299 ppm2 4.903 CV 1 ASSI { 1323} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.800 1.800 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.298 ppm2 3.843 CV 1 ASSI { 1324} (( segid " " and resid 93 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.600 3.600 2.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.299 ppm2 3.314 CV 1 ASSI { 1325} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.200 1.300 1.300 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.297 ppm2 2.825 CV 1 ASSI { 1326} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB1 )) 3.300 1.400 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.299 ppm2 2.511 CV 1 ASSI { 1327} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HG2 )) 3.100 3.100 2.900 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.299 ppm2 2.246 CV 1 ASSI { 1330} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 2.900 1.000 1.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.296 ppm2 7.305 CV 1 ASSI { 1333} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 3.500 1.500 1.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.296 ppm2 1.906 CV 1 ASSI { 1335} (( segid " " and resid 136 and name HN )) (( segid " " and resid 133 and name HA )) 3.000 1.100 1.100 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.295 ppm2 4.762 CV 1 ASSI { 1338} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HB1 )) 2.400 2.400 3.600 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.295 ppm2 2.907 CV 1 ASSI { 1339} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB1 )) 3.400 1.400 1.400 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.294 ppm2 1.572 CV 1 ASSI { 1340} (( segid " " and resid 45 and name HN )) ( segid " " and resid 54 and name HD% ) 3.700 1.700 1.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 6.416 CV 1 ASSI { 1342} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA1 )) 2.700 0.900 0.900 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 4.066 CV 1 ASSI { 1343} (( segid " " and resid 45 and name HN )) (( segid " " and resid 28 and name HD1 )) 3.400 1.400 1.400 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.292 ppm2 3.329 CV 1 ASSI { 1345} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA2 )) 2.300 0.700 0.700 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 2.812 CV 1 ASSI { 1346} (( segid " " and resid 45 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.100 3.100 2.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 1.943 CV 1 ASSI { 1347} (( segid " " and resid 45 and name HN )) ( segid " " and resid 42 and name HB% ) 3.800 1.800 1.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 1.585 CV 1 ASSI { 1348} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) 2.500 0.800 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 1.078 CV 1 OR { 1348} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) ASSI { 1349} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HD1%) 3.900 1.900 1.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 0.832 CV 1 ASSI { 1350} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HG )) 2.100 0.600 0.600 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 0.277 CV 1 ASSI { 1351} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 3.000 1.100 1.100 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.292 ppm2 7.682 CV 1 ASSI { 1352} (( segid " " and resid 45 and name HN )) (( segid " " and resid 54 and name HA )) 3.300 3.300 2.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 5.622 CV 1 ASSI { 1353} (( segid " " and resid 45 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.292 ppm2 2.209 CV 1 ASSI { 1354} (( segid " " and resid 15 and name HN )) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.285 ppm2 5.129 CV 1 ASSI { 1355} (( segid " " and resid 15 and name HN )) (( segid " " and resid 108 and name HB1 )) 3.700 1.800 1.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.275 ppm2 1.884 CV 1 ASSI { 1358} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 7.741 CV 1 ASSI { 1363} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 3.159 CV 1 ASSI { 1364} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.200 1.300 1.300 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 2.843 CV 1 ASSI { 1367} (( segid " " and resid 15 and name HN )) ( segid " " and resid 18 and name HG2%) 3.700 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 1.150 CV 1 ASSI { 1368} (( segid " " and resid 15 and name HN )) ( segid " " and resid 12 and name HG1%) 3.200 1.300 1.300 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 0.912 CV 1 ASSI { 1369} (( segid " " and resid 15 and name HN )) ( segid " " and resid 148 and name HG2%) 3.900 1.900 1.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 0.684 CV 1 ASSI { 1372} (( segid " " and resid 76 and name HN )) (( segid " " and resid 100 and name HA )) 4.100 2.100 1.900 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.275 ppm2 5.301 CV 1 ASSI { 1374} (( segid " " and resid 76 and name HN )) (( segid " " and resid 71 and name HA )) 3.800 3.800 2.200 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.273 ppm2 4.370 CV 1 ASSI { 1375} (( segid " " and resid 76 and name HN )) ( segid " " and resid 77 and name HD1%) 3.100 1.200 1.200 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.274 ppm2 0.891 CV 1 OR { 1375} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 1377} (( segid " " and resid 76 and name HN )) ( segid " " and resid 20 and name HE% ) 3.300 3.300 2.700 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.273 ppm2 7.155 CV 1 ASSI { 1379} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.300 1.400 1.400 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.273 ppm2 4.990 CV 1 ASSI { 1382} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.273 ppm2 2.576 CV 1 ASSI { 1390} (( segid " " and resid 16 and name HN )) (( segid " " and resid 109 and name HB )) 3.100 1.200 1.200 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.263 ppm2 3.667 CV 1 ASSI { 1391} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HD2 )) 4.200 2.200 1.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.265 ppm2 3.328 CV 1 ASSI { 1393} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.300 1.300 1.300 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.263 ppm2 2.842 CV 1 ASSI { 1394} (( segid " " and resid 16 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.263 ppm2 2.133 CV 1 ASSI { 1399} (( segid " " and resid 16 and name HN )) (( segid " " and resid 108 and name HN )) 3.700 1.700 1.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.279 ppm2 6.854 CV 1 ASSI { 1405} (( segid " " and resid 33 and name HD21)) (( segid " " and resid 39 and name HD1 )) 3.500 1.500 1.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.263 ppm2 1.661 CV 1 ASSI { 1408} (( segid " " and resid 33 and name HD21)) (( segid " " and resid 84 and name HB1 )) 3.800 1.800 1.800 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.266 ppm2 2.501 CV 1 ASSI { 1409} (( segid " " and resid 33 and name HD21)) (( segid " " and resid 40 and name HB )) 3.400 1.400 1.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.264 ppm2 1.931 CV 1 ASSI { 1410} (( segid " " and resid 33 and name HD21)) (( segid " " and resid 33 and name HB1 )) 2.600 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.261 ppm2 2.804 CV 1 ASSI { 1411} (( segid " " and resid 33 and name HD21)) (( segid " " and resid 136 and name HA2 )) 3.900 3.900 2.100 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.249 ppm2 4.125 CV 1 ASSI { 1412} (( segid " " and resid 33 and name HD21)) (( segid " " and resid 136 and name HA1 )) 3.600 1.600 1.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.249 ppm2 3.659 CV 1 ASSI { 1415} (( segid " " and resid 33 and name HD21)) ( segid " " and resid 40 and name HG1%) 3.200 1.300 1.300 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.249 ppm2 0.874 CV 1 ASSI { 1416} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 2.900 1.100 1.100 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.262 ppm2 7.308 CV 1 ASSI { 1417} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 3.100 1.200 1.200 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.263 ppm2 4.509 CV 1 ASSI { 1418} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA1 )) 3.200 1.300 1.300 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.262 ppm2 4.067 CV 1 OR { 1418} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 1419} (( segid " " and resid 126 and name HN )) (( segid " " and resid 121 and name HB1 )) 2.400 2.400 3.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.262 ppm2 2.132 CV 1 ASSI { 1421} (( segid " " and resid 126 and name HN )) ( segid " " and resid 129 and name HG2%) 3.600 1.600 1.600 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.263 ppm2 1.137 CV 1 ASSI { 1422} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HN )) 3.200 1.200 1.200 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.261 ppm2 7.523 CV 1 ASSI { 1425} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 2.900 1.000 1.000 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.261 ppm2 2.886 CV 1 ASSI { 1426} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HG1 )) 3.900 1.900 1.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.262 ppm2 1.676 CV 1 ASSI { 1434} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HD% ) 3.300 1.400 1.400 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.235 ppm2 6.156 CV 1 ASSI { 1437} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) 2.700 0.900 0.900 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.235 ppm2 3.302 CV 1 ASSI { 1438} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.700 1.700 1.700 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.234 ppm2 3.134 CV 1 ASSI { 1439} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.200 2.300 1.800 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.234 ppm2 2.535 CV 1 OR { 1439} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HG2 )) OR { 1439} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB1 )) ASSI { 1440} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HG1 )) 3.800 1.800 1.800 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.234 ppm2 2.262 CV 1 ASSI { 1441} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.800 1.000 1.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.235 ppm2 1.974 CV 1 ASSI { 1443} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.234 ppm2 1.470 CV 1 ASSI { 1445} (( segid " " and resid 24 and name HN )) ( segid " " and resid 77 and name HD1%) 3.800 1.800 1.800 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.235 ppm2 0.882 CV 1 OR { 1445} (( segid " " and resid 24 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 1447} (( segid " " and resid 60 and name HN )) (( segid " " and resid 57 and name HB1 )) 3.100 1.200 1.200 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.234 ppm2 2.613 CV 1 ASSI { 1448} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HG1 )) 3.800 1.800 1.800 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.232 ppm2 1.937 CV 1 OR { 1448} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HB2 )) OR { 1448} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HB1 )) ASSI { 1449} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 3.200 1.300 1.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.231 ppm2 4.503 CV 1 ASSI { 1450} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA2 )) 2.900 1.100 1.100 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.231 ppm2 4.219 CV 1 ASSI { 1451} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA1 )) 3.200 1.300 1.300 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.231 ppm2 3.512 CV 1 ASSI { 1452} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.400 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.231 ppm2 2.393 CV 1 OR { 1452} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 1453} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.800 1.800 1.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.231 ppm2 2.201 CV 1 ASSI { 1454} (( segid " " and resid 60 and name HN )) ( segid " " and resid 56 and name HG2%) 3.400 1.500 1.500 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.231 ppm2 1.055 CV 1 ASSI { 1456} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.600 1.600 1.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.223 ppm2 4.553 CV 1 ASSI { 1458} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB1 )) 2.900 1.100 1.100 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.223 ppm2 3.158 CV 1 ASSI { 1459} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HE1 )) 3.800 1.800 1.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.222 ppm2 2.980 CV 1 OR { 1459} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HE2 )) ASSI { 1462} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.700 3.700 2.300 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.223 ppm2 2.146 CV 1 ASSI { 1465} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HD2 )) 3.600 1.600 1.600 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.223 ppm2 1.523 CV 1 ASSI { 1472} (( segid " " and resid 41 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.400 1.500 1.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.221 ppm2 2.257 CV 1 ASSI { 1473} (( segid " " and resid 41 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.600 1.600 1.600 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.220 ppm2 1.976 CV 1 ASSI { 1477} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.219 ppm2 3.524 CV 1 ASSI { 1482} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HG2%) 3.400 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.219 ppm2 1.030 CV 1 ASSI { 1483} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HG1%) 3.600 1.600 1.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.220 ppm2 0.873 CV 1 ASSI { 1484} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HN )) 2.900 1.100 1.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.200 ppm2 7.740 CV 1 ASSI { 1486} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HA )) 3.000 1.100 1.100 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.200 ppm2 4.492 CV 1 ASSI { 1487} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 3.100 1.200 1.200 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.201 ppm2 4.208 CV 1 ASSI { 1490} (( segid " " and resid 152 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 2.400 3.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.200 ppm2 3.659 CV 1 ASSI { 1491} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HG2 )) 3.800 1.800 1.800 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.200 ppm2 2.360 CV 1 ASSI { 1492} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB1 )) 3.600 1.600 1.600 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.200 ppm2 2.080 CV 1 ASSI { 1495} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.190 ppm2 4.441 CV 1 ASSI { 1496} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA1 )) 3.100 1.200 1.200 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.191 ppm2 3.831 CV 1 OR { 1496} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA2 )) ASSI { 1497} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.200 1.300 1.300 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.192 ppm2 2.782 CV 1 OR { 1497} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) ASSI { 1500} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.187 ppm2 3.523 CV 1 ASSI { 1502} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB )) 3.200 1.300 1.300 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.188 ppm2 1.947 CV 1 ASSI { 1503} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.900 1.000 1.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.187 ppm2 1.779 CV 1 OR { 1503} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 1504} (( segid " " and resid 40 and name HN )) ( segid " " and resid 42 and name HB% ) 3.800 1.800 1.800 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.187 ppm2 1.611 CV 1 ASSI { 1505} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG2 )) 3.500 1.500 1.500 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.186 ppm2 1.489 CV 1 ASSI { 1506} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG1 )) 3.700 1.700 1.700 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.186 ppm2 1.346 CV 1 ASSI { 1507} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HG2%) 3.100 1.200 1.200 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.188 ppm2 1.026 CV 1 ASSI { 1510} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HA2 )) 3.900 1.900 1.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.186 ppm2 4.138 CV 1 ASSI { 1512} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 3.000 1.100 1.100 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 3.617 CV 1 ASSI { 1513} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HA )) 3.300 1.300 1.300 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 3.349 CV 1 ASSI { 1517} (( segid " " and resid 149 and name HN )) ( segid " " and resid 148 and name HG2%) 3.100 1.200 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 0.677 CV 1 ASSI { 1518} (( segid " " and resid 149 and name HN )) (( segid " " and resid 13 and name HE1 )) 3.500 3.500 2.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 3.023 CV 1 ASSI { 1519} (( segid " " and resid 149 and name HN )) ( segid " " and resid 148 and name HD1%) 2.400 2.400 3.600 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 0.379 CV 1 ASSI { 1521} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.900 1.100 1.100 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.173 ppm2 1.616 CV 1 OR { 1521} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB1 )) ASSI { 1523} (( segid " " and resid 46 and name HN )) ( segid " " and resid 54 and name HD% ) 3.800 1.800 1.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.178 ppm2 6.430 CV 1 ASSI { 1524} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HA )) 3.200 3.200 2.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.180 ppm2 5.202 CV 1 ASSI { 1525} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.180 ppm2 5.000 CV 1 ASSI { 1527} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA1 )) 2.600 0.900 0.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.179 ppm2 4.065 CV 1 ASSI { 1528} (( segid " " and resid 46 and name HN )) (( segid " " and resid 28 and name HD2 )) 4.000 2.000 2.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.180 ppm2 3.118 CV 1 ASSI { 1530} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 2.900 1.100 1.100 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.179 ppm2 2.184 CV 1 ASSI { 1531} (( segid " " and resid 46 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.600 2.700 1.400 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.179 ppm2 1.919 CV 1 ASSI { 1533} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HD1%) 3.100 3.100 2.900 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.179 ppm2 0.845 CV 1 ASSI { 1535} (( segid " " and resid 82 and name HN )) (( segid " " and resid 66 and name HA2 )) 2.900 2.900 3.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.164 ppm2 5.494 CV 1 ASSI { 1536} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.000 1.100 1.100 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.166 ppm2 4.112 CV 1 ASSI { 1538} (( segid " " and resid 82 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.500 1.500 1.500 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.166 ppm2 3.324 CV 1 ASSI { 1539} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.100 1.200 1.200 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.164 ppm2 2.774 CV 1 ASSI { 1540} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HB1 )) 4.100 2.100 1.900 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.164 ppm2 1.508 CV 1 ASSI { 1541} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 2.900 1.000 1.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.164 ppm2 1.360 CV 1 ASSI { 1544} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.900 1.100 1.100 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.163 ppm2 4.639 CV 1 ASSI { 1545} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.400 1.400 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.163 ppm2 3.104 CV 1 ASSI { 1553} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB )) 2.700 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.156 ppm2 1.757 CV 1 ASSI { 1554} (( segid " " and resid 149 and name HN )) (( segid " " and resid 13 and name HG1 )) 3.700 1.700 1.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.157 ppm2 1.563 CV 1 ASSI { 1556} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HN )) 3.200 3.200 2.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.155 ppm2 8.647 CV 1 ASSI { 1557} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.155 ppm2 7.961 CV 1 ASSI { 1558} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HN )) 2.800 1.000 1.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.155 ppm2 7.670 CV 1 ASSI { 1564} (( segid " " and resid 149 and name HN )) (( segid " " and resid 151 and name HG1 )) 4.100 2.100 1.900 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.154 ppm2 2.369 CV 1 ASSI { 1565} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB2 )) 4.000 2.000 2.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.155 ppm2 2.229 CV 1 OR { 1565} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HG2 )) OR { 1565} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1567} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 2.800 1.000 1.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.156 ppm2 7.595 CV 1 ASSI { 1570} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 3.300 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.156 ppm2 3.733 CV 1 ASSI { 1573} (( segid " " and resid 127 and name HN )) ( segid " " and resid 126 and name HB% ) 3.100 1.200 1.200 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.156 ppm2 1.331 CV 1 ASSI { 1581} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.700 0.900 0.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 7.958 CV 1 ASSI { 1582} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HN )) 3.500 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 7.692 CV 1 ASSI { 1584} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HA )) 3.100 1.200 1.200 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 4.482 CV 1 ASSI { 1585} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.150 ppm2 4.190 CV 1 ASSI { 1587} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.900 1.900 1.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.150 ppm2 2.805 CV 1 ASSI { 1588} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB1 )) 3.600 1.600 1.600 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.150 ppm2 2.733 CV 1 ASSI { 1589} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG1 )) 2.700 0.900 0.900 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 2.356 CV 1 OR { 1589} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG2 )) ASSI { 1590} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.150 ppm2 2.200 CV 1 OR { 1590} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1592} (( segid " " and resid 151 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.700 1.700 1.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 1.857 CV 1 ASSI { 1593} (( segid " " and resid 151 and name HN )) (( segid " " and resid 148 and name HB )) 2.400 2.400 3.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.150 ppm2 1.746 CV 1 ASSI { 1595} (( segid " " and resid 151 and name HN )) ( segid " " and resid 14 and name HB% ) 3.400 1.500 1.500 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 1.337 CV 1 ASSI { 1596} (( segid " " and resid 151 and name HN )) ( segid " " and resid 148 and name HG2%) 3.400 1.500 1.500 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.149 ppm2 0.671 CV 1 ASSI { 1600} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HB1 )) 4.100 2.100 1.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 4.575 CV 1 ASSI { 1601} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 3.000 1.100 1.100 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 4.102 CV 1 ASSI { 1602} (( segid " " and resid 142 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.600 1.600 1.600 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.069 ppm2 2.769 CV 1 ASSI { 1603} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HB )) 3.500 1.500 1.500 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.069 ppm2 1.789 CV 1 ASSI { 1604} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 9.030 CV 1 ASSI { 1605} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 2.900 1.000 1.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 7.672 CV 1 ASSI { 1607} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HE22)) 3.900 1.900 1.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.067 ppm2 6.922 CV 1 ASSI { 1608} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HA )) 3.800 1.800 1.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.067 ppm2 4.342 CV 1 ASSI { 1609} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 2.900 3.100 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.066 ppm2 3.053 CV 1 ASSI { 1610} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG2 )) 3.500 1.500 1.500 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 2.446 CV 1 ASSI { 1611} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 2.900 1.000 1.000 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 2.261 CV 1 OR { 1611} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 1612} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB1 )) 3.400 1.400 1.400 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 1.975 CV 1 ASSI { 1613} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.700 2.700 3.300 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.067 ppm2 1.510 CV 1 ASSI { 1614} (( segid " " and resid 142 and name HN )) ( segid " " and resid 10 and name HG2%) 4.000 2.000 2.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.068 ppm2 1.011 CV 1 ASSI { 1616} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.047 ppm2 9.026 CV 1 ASSI { 1617} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 2.800 0.900 0.900 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.047 ppm2 6.921 CV 1 ASSI { 1618} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HA )) 3.000 1.100 1.100 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.048 ppm2 4.597 CV 1 ASSI { 1620} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 3.200 1.300 1.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.046 ppm2 4.045 CV 1 ASSI { 1623} (( segid " " and resid 140 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.046 ppm2 1.975 CV 1 ASSI { 1624} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB )) 2.600 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.047 ppm2 1.789 CV 1 ASSI { 1625} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HG12)) 3.300 1.400 1.400 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.047 ppm2 1.063 CV 1 ASSI { 1626} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HG2%) 3.800 1.800 1.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.047 ppm2 0.695 CV 1 ASSI { 1628} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HG11)) 2.700 0.900 0.900 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.047 ppm2 -0.660 CV 1 ASSI { 1636} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB )) 3.700 1.800 1.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.035 ppm2 4.395 CV 1 ASSI { 1638} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HA )) 3.300 1.400 1.400 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.036 ppm2 3.980 CV 1 ASSI { 1640} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.700 1.700 1.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.035 ppm2 2.984 CV 1 ASSI { 1641} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 2.600 0.900 0.900 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.035 ppm2 2.353 CV 1 ASSI { 1644} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.300 2.300 1.700 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.035 ppm2 1.754 CV 1 ASSI { 1647} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HG2%) 3.900 1.900 1.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.035 ppm2 1.174 CV 1 ASSI { 1648} (( segid " " and resid 21 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.100 2.100 1.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.033 ppm2 2.564 CV 1 OR { 1648} (( segid " " and resid 21 and name HN )) (( segid " " and resid 25 and name HB1 )) ASSI { 1649} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HN )) 3.100 1.200 1.200 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.027 ppm2 11.246 CV 1 ASSI { 1651} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 3.100 1.200 1.200 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.023 ppm2 4.466 CV 1 ASSI { 1652} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.000 1.100 1.100 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.023 ppm2 1.784 CV 1 OR { 1652} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 1653} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG1 )) 3.900 1.900 1.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.023 ppm2 1.322 CV 1 ASSI { 1655} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.900 1.000 1.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.022 ppm2 8.221 CV 1 ASSI { 1658} (( segid " " and resid 39 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.700 1.700 1.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.022 ppm2 1.991 CV 1 ASSI { 1660} (( segid " " and resid 39 and name HN )) ( segid " " and resid 40 and name HG1%) 3.800 1.800 1.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.020 ppm2 0.875 CV 1 ASSI { 1664} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.019 ppm2 4.732 CV 1 ASSI { 1665} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.400 1.500 1.500 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.019 ppm2 3.118 CV 1 ASSI { 1666} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) 2.800 1.000 1.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.020 ppm2 2.214 CV 1 ASSI { 1668} (( segid " " and resid 8 and name HN )) ( segid " " and resid 113 and name HG2%) 3.800 1.800 1.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.020 ppm2 0.193 CV 1 ASSI { 1672} (( segid " " and resid 8 and name HN )) (( segid " " and resid 114 and name HA )) 3.400 1.400 1.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.018 ppm2 5.187 CV 1 ASSI { 1673} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG2 )) 2.600 0.900 0.900 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.018 ppm2 1.541 CV 1 OR { 1673} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG1 )) ASSI { 1674} (( segid " " and resid 8 and name HN )) (( segid " " and resid 113 and name HB )) 2.400 0.700 0.700 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.017 ppm2 1.229 CV 1 ASSI { 1675} (( segid " " and resid 8 and name HN )) ( segid " " and resid 99 and name HG2%) 4.200 2.200 1.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.018 ppm2 0.767 CV 1 ASSI { 1677} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 3.500 1.600 1.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.019 ppm2 8.359 CV 1 ASSI { 1685} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.100 1.200 1.200 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.015 ppm2 3.784 CV 1 OR { 1685} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB1 )) ASSI { 1686} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.200 1.300 1.300 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.014 ppm2 2.819 CV 1 ASSI { 1687} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB1 )) 3.500 1.500 1.500 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.014 ppm2 2.553 CV 1 ASSI { 1691} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.600 0.800 0.800 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.994 ppm2 6.923 CV 1 ASSI { 1692} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HA )) 4.100 2.100 1.900 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.994 ppm2 4.945 CV 1 ASSI { 1693} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HA2 )) 3.700 1.700 1.700 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.993 ppm2 4.572 CV 1 ASSI { 1697} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HA )) 3.000 3.000 3.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.993 ppm2 2.946 CV 1 ASSI { 1698} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.300 2.300 1.700 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.993 ppm2 2.728 CV 1 ASSI { 1699} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG2 )) 3.100 1.200 1.200 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.995 ppm2 2.238 CV 1 OR { 1699} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) ASSI { 1700} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.700 1.700 1.700 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.994 ppm2 1.951 CV 1 ASSI { 1701} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG2 )) 3.100 3.100 2.900 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.995 ppm2 1.548 CV 1 ASSI { 1702} (( segid " " and resid 29 and name HN )) ( segid " " and resid 22 and name HG2%) 4.100 2.100 1.900 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.995 ppm2 1.296 CV 1 ASSI { 1705} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HB1 )) 4.000 2.000 2.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.988 ppm2 1.634 CV 1 ASSI { 1706} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 3.000 1.100 1.100 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.982 ppm2 7.313 CV 1 ASSI { 1707} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA2 )) 3.200 1.300 1.300 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.983 ppm2 4.001 CV 1 ASSI { 1708} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA1 )) 3.100 1.200 1.200 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.983 ppm2 3.513 CV 1 ASSI { 1709} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB1 )) 3.100 1.200 1.200 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.982 ppm2 2.799 CV 1 ASSI { 1716} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.000 1.100 1.100 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 2.220 CV 1 OR { 1716} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HG2 )) OR { 1716} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1717} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HB1 )) 4.600 2.700 1.400 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.951 ppm2 2.018 CV 1 ASSI { 1718} (( segid " " and resid 150 and name HN )) ( segid " " and resid 148 and name HG2%) 3.500 1.500 1.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.951 ppm2 0.676 CV 1 ASSI { 1719} (( segid " " and resid 150 and name HN )) (( segid " " and resid 153 and name HN )) 3.600 1.600 1.600 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 7.753 CV 1 ASSI { 1720} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HN )) 3.200 1.300 1.300 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 7.639 CV 1 ASSI { 1726} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB )) 3.600 1.600 1.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 1.757 CV 1 ASSI { 1727} (( segid " " and resid 150 and name HN )) (( segid " " and resid 154 and name HG2 )) 3.900 1.900 1.900 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 1.479 CV 1 ASSI { 1728} (( segid " " and resid 150 and name HN )) ( segid " " and resid 14 and name HB% ) 3.600 3.600 2.400 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 1.332 CV 1 ASSI { 1729} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 3.000 1.100 1.100 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.926 ppm2 4.935 CV 1 ASSI { 1730} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA2 )) 3.300 1.300 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.924 ppm2 3.762 CV 1 ASSI { 1731} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB1 )) 3.300 1.400 1.400 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.924 ppm2 2.803 CV 1 ASSI { 1732} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.600 1.600 1.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.924 ppm2 1.640 CV 1 ASSI { 1734} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HA )) 3.400 1.400 1.400 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.923 ppm2 4.514 CV 1 ASSI { 1735} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HA2 )) 3.800 1.800 1.800 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.922 ppm2 4.001 CV 1 ASSI { 1737} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.800 1.800 1.800 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.923 ppm2 2.601 CV 1 ASSI { 1738} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.200 3.200 2.800 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.923 ppm2 1.881 CV 1 ASSI { 1739} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.500 1.500 1.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 11.246 ppm2 2.257 CV 1 ASSI { 1745} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.900 1.000 1.000 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 11.236 ppm2 1.268 CV 1 ASSI { 1748} (( segid " " and resid 105 and name HN )) (( segid " " and resid 108 and name HN )) 3.500 3.500 2.500 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.888 ppm2 6.856 CV 1 ASSI { 1754} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 3.600 1.600 1.600 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.887 ppm2 2.496 CV 1 ASSI { 1755} (( segid " " and resid 105 and name HN )) (( segid " " and resid 108 and name HB1 )) 3.900 1.900 1.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.887 ppm2 1.871 CV 1 ASSI { 1756} (( segid " " and resid 105 and name HN )) ( segid " " and resid 103 and name HB% ) 3.400 1.400 1.400 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.887 ppm2 1.549 CV 1 ASSI { 1758} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.600 3.600 2.400 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.886 ppm2 2.013 CV 1 ASSI { 1759} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HA )) 3.900 1.900 1.900 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.883 ppm2 4.545 CV 1 ASSI { 1760} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.000 2.000 2.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.884 ppm2 2.259 CV 1 ASSI { 1762} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 3.300 1.300 1.300 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.876 ppm2 8.626 CV 1 ASSI { 1764} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HA )) 3.600 3.600 2.400 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.876 ppm2 4.137 CV 1 ASSI { 1765} (( segid " " and resid 154 and name HN )) (( segid " " and resid 150 and name HB1 )) 4.000 2.000 2.000 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.868 ppm2 2.204 CV 1 OR { 1765} (( segid " " and resid 154 and name HN )) (( segid " " and resid 150 and name HB2 )) ASSI { 1770} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HA2 )) 3.800 3.800 2.200 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.873 ppm2 4.036 CV 1 ASSI { 1771} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB1 )) 3.000 1.100 1.100 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.874 ppm2 1.837 CV 1 ASSI { 1772} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HB% ) 3.500 1.500 1.500 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.874 ppm2 1.490 CV 1 ASSI { 1778} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.876 ppm2 2.516 CV 1 OR { 1778} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) ASSI { 1781} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.872 ppm2 6.393 CV 1 ASSI { 1785} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA )) 3.900 1.900 1.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.874 ppm2 2.949 CV 1 ASSI { 1787} (( segid " " and resid 26 and name HN )) (( segid " " and resid 29 and name HG2 )) 3.700 1.700 1.700 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.873 ppm2 2.259 CV 1 ASSI { 1788} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.400 2.400 3.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.873 ppm2 1.966 CV 1 ASSI { 1789} (( segid " " and resid 26 and name HN )) ( segid " " and resid 22 and name HG2%) 3.800 1.800 1.800 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.873 ppm2 1.309 CV 1 ASSI { 1793} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 3.100 1.200 1.200 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.865 ppm2 3.687 CV 1 ASSI { 1796} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) 3.000 1.100 1.100 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.863 ppm2 0.963 CV 1 ASSI { 1798} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 3.000 1.100 1.100 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.862 ppm2 2.030 CV 1 ASSI { 1799} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG2 )) 3.700 1.800 1.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.861 ppm2 1.658 CV 1 OR { 1799} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG1 )) ASSI { 1801} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.900 1.000 1.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.863 ppm2 0.662 CV 1 ASSI { 1804} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.000 1.100 1.100 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.818 ppm2 7.487 CV 1 ASSI { 1805} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 3.100 1.200 1.200 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.819 ppm2 4.670 CV 1 ASSI { 1808} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.400 2.400 3.600 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.820 ppm2 3.315 CV 1 ASSI { 1809} (( segid " " and resid 121 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.400 1.500 1.500 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.819 ppm2 2.900 CV 1 ASSI { 1810} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.600 1.600 1.600 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.818 ppm2 2.680 CV 1 ASSI { 1811} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.800 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.818 ppm2 2.342 CV 1 ASSI { 1812} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.600 1.600 1.600 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.819 ppm2 2.141 CV 1 ASSI { 1813} (( segid " " and resid 121 and name HN )) ( segid " " and resid 126 and name HB% ) 3.400 1.400 1.400 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.817 ppm2 1.332 CV 1 ASSI { 1816} (( segid " " and resid 142 and name HE21)) (( segid " " and resid 142 and name HA )) 2.900 1.000 1.000 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.813 ppm2 4.097 CV 1 ASSI { 1817} (( segid " " and resid 142 and name HE21)) (( segid " " and resid 144 and name HB2 )) 3.900 3.900 2.100 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.812 ppm2 2.783 CV 1 ASSI { 1820} (( segid " " and resid 142 and name HE21)) (( segid " " and resid 142 and name HB2 )) 2.900 1.000 1.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.813 ppm2 2.275 CV 1 ASSI { 1821} (( segid " " and resid 142 and name HE21)) (( segid " " and resid 141 and name HB1 )) 3.300 1.300 1.300 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.812 ppm2 1.965 CV 1 ASSI { 1822} (( segid " " and resid 142 and name HE21)) ( segid " " and resid 10 and name HG2%) 3.700 1.700 1.700 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.812 ppm2 1.002 CV 1 ASSI { 1824} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HA )) 3.800 1.800 1.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.776 ppm2 3.346 CV 1 ASSI { 1825} (( segid " " and resid 144 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.100 1.100 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.777 ppm2 3.062 CV 1 ASSI { 1826} (( segid " " and resid 144 and name HN )) (( segid " " and resid 146 and name HN )) 3.100 1.200 1.200 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.774 ppm2 8.661 CV 1 ASSI { 1828} (( segid " " and resid 144 and name HN )) (( segid " " and resid 31 and name HN )) 3.900 3.900 2.100 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 7.448 CV 1 ASSI { 1832} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 3.000 1.100 1.100 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.774 ppm2 4.375 CV 1 ASSI { 1834} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 3.000 1.100 1.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 3.514 CV 1 ASSI { 1835} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 2.900 1.100 1.100 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 2.761 CV 1 ASSI { 1836} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HG2 )) 4.400 2.400 1.600 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.774 ppm2 2.302 CV 1 ASSI { 1837} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.700 0.900 0.900 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 1.979 CV 1 ASSI { 1838} (( segid " " and resid 144 and name HN )) (( segid " " and resid 32 and name HG2 )) 3.600 1.700 1.700 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.770 ppm2 1.507 CV 1 ASSI { 1839} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.300 1.300 1.300 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.774 ppm2 4.562 CV 1 ASSI { 1840} (( segid " " and resid 144 and name HN )) (( segid " " and resid 32 and name HD1 )) 3.300 1.400 1.400 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 1.785 CV 1 ASSI { 1841} (( segid " " and resid 144 and name HN )) (( segid " " and resid 32 and name HG1 )) 2.700 2.700 3.300 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.772 ppm2 0.891 CV 1 ASSI { 1842} (( segid " " and resid 144 and name HN )) ( segid " " and resid 140 and name HG2%) 3.400 1.400 1.400 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 0.707 CV 1 ASSI { 1844} (( segid " " and resid 144 and name HN )) ( segid " " and resid 22 and name HG2%) 4.000 2.000 2.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.762 ppm2 1.304 CV 1 ASSI { 1846} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.735 ppm2 9.374 CV 1 ASSI { 1849} (( segid " " and resid 14 and name HN )) (( segid " " and resid 108 and name HN )) 3.900 1.900 1.900 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 6.854 CV 1 ASSI { 1856} (( segid " " and resid 14 and name HN )) (( segid " " and resid 107 and name HA )) 3.600 1.700 1.700 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 4.127 CV 1 ASSI { 1857} (( segid " " and resid 14 and name HN )) (( segid " " and resid 109 and name HB )) 3.400 1.500 1.500 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.735 ppm2 3.673 CV 1 ASSI { 1858} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.700 1.700 1.700 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 1.970 CV 1 ASSI { 1861} (( segid " " and resid 14 and name HN )) ( segid " " and resid 18 and name HG2%) 3.800 1.800 1.800 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 1.119 CV 1 ASSI { 1862} (( segid " " and resid 14 and name HN )) ( segid " " and resid 12 and name HG1%) 2.700 2.700 3.300 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 0.920 CV 1 ASSI { 1863} (( segid " " and resid 14 and name HN )) ( segid " " and resid 148 and name HG2%) 3.100 1.200 1.200 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 0.692 CV 1 ASSI { 1864} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) 3.500 3.500 2.500 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.696 ppm2 4.270 CV 1 ASSI { 1865} (( segid " " and resid 42 and name HN )) ( segid " " and resid 40 and name HG1%) 2.400 2.400 3.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.696 ppm2 0.859 CV 1 ASSI { 1867} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 8.221 CV 1 ASSI { 1868} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HN )) 3.400 1.500 1.500 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 8.034 CV 1 ASSI { 1873} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA2 )) 3.000 1.100 1.100 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 4.107 CV 1 ASSI { 1878} (( segid " " and resid 42 and name HN )) (( segid " " and resid 55 and name HG2 )) 2.900 1.100 1.100 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 2.239 CV 1 OR { 1878} (( segid " " and resid 42 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 1879} (( segid " " and resid 42 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 2.004 CV 1 ASSI { 1880} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.400 2.400 3.600 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 1.763 CV 1 ASSI { 1884} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HG )) 3.900 1.900 1.900 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.673 ppm2 0.286 CV 1 ASSI { 1885} (( segid " " and resid 44 and name HN )) (( segid " " and resid 28 and name HD1 )) 3.300 3.300 2.700 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.670 ppm2 3.341 CV 1 ASSI { 1886} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.100 1.200 1.200 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.672 ppm2 2.389 CV 1 ASSI { 1887} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.400 1.400 1.400 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.670 ppm2 2.210 CV 1 ASSI { 1888} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 3.300 1.400 1.400 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.668 ppm2 4.496 CV 1 ASSI { 1889} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HA2 )) 3.200 3.200 2.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.669 ppm2 4.106 CV 1 ASSI { 1890} (( segid " " and resid 44 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.000 1.100 1.100 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.667 ppm2 1.959 CV 1 ASSI { 1891} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HD1%) 4.100 2.100 1.900 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.668 ppm2 0.828 CV 1 ASSI { 1892} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HN )) 3.800 3.800 2.200 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 8.161 CV 1 ASSI { 1894} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA2 )) 3.200 3.200 2.800 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 2.806 CV 1 ASSI { 1895} (( segid " " and resid 44 and name HN )) (( segid " " and resid 56 and name HB )) 3.700 3.700 2.300 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 1.748 CV 1 ASSI { 1898} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 3.000 1.200 1.200 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.674 ppm2 5.264 CV 1 ASSI { 1900} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB1 )) 2.900 1.000 1.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.673 ppm2 1.081 CV 1 OR { 1900} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) ASSI { 1901} (( segid " " and resid 44 and name HN )) ( segid " " and resid 42 and name HB% ) 3.000 1.100 1.100 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.673 ppm2 1.615 CV 1 ASSI { 1905} (( segid " " and resid 148 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.900 1.900 1.900 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.668 ppm2 2.379 CV 1 ASSI { 1911} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HB1 )) 3.700 3.700 2.300 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 2.754 CV 1 ASSI { 1912} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.700 1.700 1.700 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.665 ppm2 2.216 CV 1 OR { 1912} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HG2 )) OR { 1912} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1913} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.500 1.500 1.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.664 ppm2 1.983 CV 1 ASSI { 1915} (( segid " " and resid 148 and name HN )) ( segid " " and resid 22 and name HG2%) 3.300 1.400 1.400 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 1.332 CV 1 ASSI { 1916} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG12)) 3.700 1.700 1.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.664 ppm2 0.821 CV 1 ASSI { 1919} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HA )) 3.900 1.900 1.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.666 ppm2 3.530 CV 1 ASSI { 1923} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.600 2.600 3.400 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 4.128 CV 1 ASSI { 1924} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HA )) 2.900 1.100 1.100 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 3.057 CV 1 ASSI { 1925} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HG2 )) 4.000 2.000 2.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.664 ppm2 2.445 CV 1 ASSI { 1926} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB1 )) 2.900 1.000 1.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 2.257 CV 1 OR { 1926} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 1927} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.800 1.800 1.800 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.664 ppm2 1.984 CV 1 ASSI { 1928} (( segid " " and resid 143 and name HN )) (( segid " " and resid 32 and name HD1 )) 3.900 1.900 1.900 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.664 ppm2 1.816 CV 1 ASSI { 1929} (( segid " " and resid 143 and name HN )) (( segid " " and resid 32 and name HG2 )) 4.300 2.300 1.700 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 1.535 CV 1 ASSI { 1931} (( segid " " and resid 143 and name HN )) ( segid " " and resid 140 and name HG2%) 3.700 1.700 1.700 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 0.711 CV 1 ASSI { 1933} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.900 1.900 1.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.663 ppm2 2.761 CV 1 ASSI { 1935} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HN )) 3.500 1.600 1.600 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 8.449 CV 1 ASSI { 1936} (( segid " " and resid 147 and name HN )) (( segid " " and resid 149 and name HN )) 3.300 1.300 1.300 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 8.149 CV 1 ASSI { 1937} (( segid " " and resid 147 and name HN )) (( segid " " and resid 31 and name HN )) 3.400 3.400 2.600 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 7.466 CV 1 ASSI { 1938} (( segid " " and resid 147 and name HN )) (( segid " " and resid 30 and name HA )) 4.000 2.000 2.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.651 ppm2 4.953 CV 1 ASSI { 1939} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.900 1.100 1.100 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 4.244 CV 1 ASSI { 1940} (( segid " " and resid 147 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 3.551 CV 1 ASSI { 1941} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HA )) 3.300 3.300 2.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.654 ppm2 3.348 CV 1 ASSI { 1943} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.100 1.200 1.200 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 2.870 CV 1 ASSI { 1946} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.900 1.900 1.900 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 2.215 CV 1 OR { 1946} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1947} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.600 0.900 0.900 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 1.990 CV 1 ASSI { 1948} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HB )) 3.800 1.800 1.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 1.778 CV 1 ASSI { 1951} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HG12)) 4.300 2.300 1.700 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.652 ppm2 0.815 CV 1 ASSI { 1952} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.100 1.200 1.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.628 ppm2 5.503 CV 1 ASSI { 1954} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 3.400 1.500 1.500 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.628 ppm2 2.708 CV 1 ASSI { 1957} (( segid " " and resid 66 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.200 2.200 1.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.627 ppm2 2.361 CV 1 ASSI { 1958} (( segid " " and resid 66 and name HN )) ( segid " " and resid 79 and name HD1%) 3.800 1.800 1.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.628 ppm2 0.188 CV 1 ASSI { 1964} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA1 )) 2.700 0.900 0.900 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.627 ppm2 3.118 CV 1 ASSI { 1965} (( segid " " and resid 66 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.700 2.700 3.300 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.626 ppm2 1.928 CV 1 ASSI { 1969} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HA )) 3.500 1.600 1.600 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.591 ppm2 4.510 CV 1 ASSI { 1970} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 3.000 1.100 1.100 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.590 ppm2 3.973 CV 1 ASSI { 1971} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HA )) 3.300 1.400 1.400 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.591 ppm2 3.728 CV 1 ASSI { 1972} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HD1 )) 4.200 2.200 1.800 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.590 ppm2 2.890 CV 1 ASSI { 1973} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.700 1.700 1.700 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.590 ppm2 1.758 CV 1 ASSI { 1974} (( segid " " and resid 128 and name HN )) ( segid " " and resid 129 and name HG1%) 4.300 2.300 1.700 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.591 ppm2 1.303 CV 1 ASSI { 1977} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HB )) 3.900 1.900 1.900 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.589 ppm2 2.032 CV 1 ASSI { 1981} (( segid " " and resid 93 and name HD21)) (( segid " " and resid 91 and name HB1 )) 3.300 1.300 1.300 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.579 ppm2 2.007 CV 1 ASSI { 1984} (( segid " " and resid 93 and name HD21)) (( segid " " and resid 92 and name HA )) 3.100 3.100 2.900 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.583 ppm2 4.930 CV 1 ASSI { 1993} (( segid " " and resid 59 and name HE22)) (( segid " " and resid 59 and name HA )) 4.300 2.400 1.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.576 ppm2 4.520 CV 1 ASSI { 1995} (( segid " " and resid 59 and name HE22)) (( segid " " and resid 59 and name HG2 )) 3.500 1.500 1.500 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.576 ppm2 2.392 CV 1 OR { 1995} (( segid " " and resid 59 and name HE22)) (( segid " " and resid 59 and name HG1 )) ASSI { 2003} (( segid " " and resid 59 and name HE22)) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.577 ppm2 4.098 CV 1 ASSI { 2005} (( segid " " and resid 59 and name HE22)) (( segid " " and resid 59 and name HB2 )) 4.500 2.500 1.500 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.576 ppm2 2.193 CV 1 ASSI { 2012} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 3.100 1.200 1.200 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 4.257 CV 1 ASSI { 2013} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HD2 )) 3.900 1.900 1.900 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.566 ppm2 2.950 CV 1 OR { 2013} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HD1 )) ASSI { 2015} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 1.549 CV 1 ASSI { 2017} (( segid " " and resid 70 and name HN )) ( segid " " and resid 71 and name HG2%) 4.100 2.100 1.900 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 1.159 CV 1 ASSI { 2019} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG2%) 2.600 0.900 0.900 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 0.628 CV 1 ASSI { 2020} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HG12)) 4.500 2.600 1.500 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.564 ppm2 0.328 CV 1 OR { 2020} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HD1%) ASSI { 2022} (( segid " " and resid 70 and name HN )) (( segid " " and resid 77 and name HA )) 3.500 1.600 1.600 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 5.158 CV 1 ASSI { 2023} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HA )) 3.400 3.400 2.600 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.563 ppm2 4.878 CV 1 ASSI { 2024} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.566 ppm2 4.455 CV 1 ASSI { 2025} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.400 1.400 1.400 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 3.624 CV 1 ASSI { 2026} (( segid " " and resid 84 and name HD22)) (( segid " " and resid 133 and name HA )) 3.800 1.800 1.800 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.559 ppm2 4.733 CV 1 ASSI { 2027} (( segid " " and resid 84 and name HD22)) (( segid " " and resid 33 and name HA )) 3.600 1.700 1.700 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.560 ppm2 4.239 CV 1 ASSI { 2028} (( segid " " and resid 84 and name HD22)) (( segid " " and resid 136 and name HA1 )) 2.900 1.100 1.100 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.560 ppm2 3.665 CV 1 ASSI { 2029} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 142 and name HA )) 2.800 1.000 1.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.559 ppm2 4.128 CV 1 ASSI { 2030} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 144 and name HB2 )) 2.400 2.400 3.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.559 ppm2 2.786 CV 1 ASSI { 2031} (( segid " " and resid 84 and name HD22)) (( segid " " and resid 84 and name HB2 )) 3.800 1.800 1.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.559 ppm2 2.591 CV 1 ASSI { 2035} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.900 1.000 1.000 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.542 ppm2 2.817 CV 1 ASSI { 2036} (( segid " " and resid 51 and name HN )) ( segid " " and resid 68 and name HG2%) 4.300 2.400 1.700 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.541 ppm2 0.606 CV 1 ASSI { 2037} (( segid " " and resid 51 and name HN )) ( segid " " and resid 68 and name HD1%) 3.800 1.800 1.800 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.541 ppm2 0.310 CV 1 ASSI { 2042} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.500 1.500 1.500 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.540 ppm2 3.074 CV 1 ASSI { 2043} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.300 1.400 1.400 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.540 ppm2 1.937 CV 1 ASSI { 2044} (( segid " " and resid 51 and name HN )) (( segid " " and resid 68 and name HB )) 4.100 2.100 1.900 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.540 ppm2 1.467 CV 1 ASSI { 2045} (( segid " " and resid 51 and name HN )) ( segid " " and resid 71 and name HG2%) 3.600 1.600 1.600 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.539 ppm2 1.149 CV 1 ASSI { 2048} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 3.000 1.100 1.100 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.523 ppm2 8.413 CV 1 ASSI { 2052} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HA )) 3.100 1.200 1.200 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.523 ppm2 4.254 CV 1 ASSI { 2054} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.000 1.200 1.200 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.523 ppm2 2.818 CV 1 ASSI { 2055} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.200 3.200 2.800 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.521 ppm2 1.765 CV 1 ASSI { 2060} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HG1 )) 3.400 3.400 2.600 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.522 ppm2 2.014 CV 1 ASSI { 2062} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.400 1.500 1.500 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.502 ppm2 2.145 CV 1 ASSI { 2063} (( segid " " and resid 122 and name HN )) ( segid " " and resid 126 and name HB% ) 3.200 1.300 1.300 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.503 ppm2 1.343 CV 1 ASSI { 2066} (( segid " " and resid 122 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.100 1.200 1.200 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.501 ppm2 2.894 CV 1 ASSI { 2067} (( segid " " and resid 122 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.200 3.200 2.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.500 ppm2 2.692 CV 1 ASSI { 2068} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.300 1.400 1.400 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.501 ppm2 2.347 CV 1 ASSI { 2070} (( segid " " and resid 34 and name HD21)) (( segid " " and resid 34 and name HB2 )) 3.200 1.200 1.200 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.503 ppm2 2.912 CV 1 ASSI { 2072} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG1 )) 3.600 1.600 1.600 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.472 ppm2 2.014 CV 1 ASSI { 2074} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) 3.200 1.300 1.300 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.470 ppm2 4.593 CV 1 ASSI { 2075} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.400 1.400 1.400 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.470 ppm2 2.816 CV 1 ASSI { 2076} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.470 ppm2 2.258 CV 1 ASSI { 2077} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.300 1.400 1.400 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.470 ppm2 1.756 CV 1 ASSI { 2078} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.400 1.400 1.400 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.470 ppm2 1.271 CV 1 ASSI { 2081} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 3.500 1.500 1.500 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.473 ppm2 6.923 CV 1 ASSI { 2086} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.900 1.000 1.000 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.473 ppm2 4.942 CV 1 ASSI { 2089} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.473 ppm2 3.583 CV 1 ASSI { 2090} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HD2 )) 3.000 1.100 1.100 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.473 ppm2 3.334 CV 1 ASSI { 2092} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) 2.700 0.900 0.900 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.473 ppm2 2.722 CV 1 ASSI { 2093} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.000 1.100 1.100 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.473 ppm2 2.115 CV 1 OR { 2093} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 2095} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HD1 )) 2.700 0.900 0.900 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.471 ppm2 7.130 CV 1 ASSI { 2096} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG2 )) 4.200 2.300 1.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.470 ppm2 1.567 CV 1 ASSI { 2098} (( segid " " and resid 120 and name HN )) (( segid " " and resid 2 and name HA )) 3.200 1.300 1.300 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.418 ppm2 4.721 CV 1 ASSI { 2099} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 2.900 1.100 1.100 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.417 ppm2 7.824 CV 1 ASSI { 2102} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.400 2.400 3.600 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.418 ppm2 3.303 CV 1 ASSI { 2103} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.000 1.100 1.100 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.417 ppm2 2.913 CV 1 ASSI { 2104} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.400 1.400 1.400 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.417 ppm2 2.702 CV 1 ASSI { 2107} (( segid " " and resid 88 and name HN )) (( segid " " and resid 84 and name HN )) 3.900 1.900 1.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.306 ppm2 8.943 CV 1 ASSI { 2108} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HN )) 3.600 1.600 1.600 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.307 ppm2 8.719 CV 1 ASSI { 2111} (( segid " " and resid 88 and name HN )) (( segid " " and resid 86 and name HA )) 3.400 1.400 1.400 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.307 ppm2 4.932 CV 1 ASSI { 2114} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA2 )) 3.100 1.200 1.200 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.306 ppm2 4.003 CV 1 ASSI { 2115} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA1 )) 3.500 1.500 1.500 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.306 ppm2 3.531 CV 1 ASSI { 2116} (( segid " " and resid 88 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.800 3.800 2.200 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.307 ppm2 2.799 CV 1 OR { 2116} (( segid " " and resid 88 and name HN )) (( segid " " and resid 131 and name HB2 )) ASSI { 2117} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.306 ppm2 1.881 CV 1 ASSI { 2118} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.300 1.400 1.400 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.306 ppm2 1.650 CV 1 ASSI { 2119} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HD2 )) 3.600 1.600 1.600 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.302 ppm2 3.205 CV 1 ASSI { 2122} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 2.800 1.000 1.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.303 ppm2 2.892 CV 1 ASSI { 2123} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.200 1.300 1.300 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.301 ppm2 1.696 CV 1 ASSI { 2125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.200 1.300 1.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.299 ppm2 1.533 CV 1 ASSI { 2129} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 3.200 1.300 1.300 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.298 ppm2 4.885 CV 1 ASSI { 2134} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) 3.200 1.300 1.300 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.297 ppm2 2.954 CV 1 OR { 2134} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 2136} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) 3.100 1.200 1.200 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.298 ppm2 1.570 CV 1 ASSI { 2141} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB1 )) 3.900 1.900 1.900 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.197 ppm2 2.859 CV 1 ASSI { 2142} (( segid " " and resid 33 and name HD22)) (( segid " " and resid 39 and name HD1 )) 3.000 1.100 1.100 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.149 ppm2 1.657 CV 1 ASSI { 2143} (( segid " " and resid 33 and name HD22)) (( segid " " and resid 84 and name HB1 )) 3.300 1.400 1.400 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.147 ppm2 2.498 CV 1 ASSI { 2145} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.941 ppm2 2.177 CV 1 OR { 2145} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) ASSI { 2159} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG2 )) 2.900 1.000 1.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.914 ppm2 2.320 CV 1 OR { 2159} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG1 )) ASSI { 2161} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.000 1.100 1.100 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.914 ppm2 1.804 CV 1 ASSI { 2162} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) 4.000 2.000 2.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.914 ppm2 1.124 CV 1 ASSI { 2165} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HA )) 3.800 1.800 1.800 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.914 ppm2 3.058 CV 1 ASSI { 2167} (( segid " " and resid 139 and name HN )) ( segid " " and resid 140 and name HD1%) 4.100 2.100 1.900 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.913 ppm2 -0.430 CV 1 ASSI { 2168} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HA1 )) 3.600 1.600 1.600 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.912 ppm2 3.656 CV 1 ASSI { 2171} (( segid " " and resid 145 and name HE22)) (( segid " " and resid 142 and name HA )) 3.600 1.600 1.600 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.903 ppm2 4.118 CV 1 ASSI { 2172} (( segid " " and resid 84 and name HD21)) (( segid " " and resid 84 and name HB2 )) 2.900 1.000 1.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.902 ppm2 2.590 CV 1 ASSI { 2176} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 3.500 1.500 1.500 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.915 ppm2 4.270 CV 1 ASSI { 2177} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) 3.300 3.300 2.700 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.915 ppm2 3.982 CV 1 ASSI { 2179} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HA )) 3.200 3.200 2.800 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.915 ppm2 2.951 CV 1 ASSI { 2181} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.600 2.600 3.400 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.911 ppm2 3.604 CV 1 ASSI { 2184} (( segid " " and resid 84 and name HD21)) (( segid " " and resid 84 and name HA )) 3.500 1.600 1.600 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.899 ppm2 4.530 CV 1 ASSI { 2185} (( segid " " and resid 84 and name HD21)) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.896 ppm2 4.733 CV 1 ASSI { 2187} (( segid " " and resid 84 and name HD21)) (( segid " " and resid 136 and name HA1 )) 2.900 1.000 1.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.900 ppm2 3.641 CV 1 ASSI { 2190} (( segid " " and resid 84 and name HD21)) ( segid " " and resid 40 and name HG2%) 4.000 2.000 2.000 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.900 ppm2 1.036 CV 1 ASSI { 2191} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HG1 )) 4.000 2.000 2.000 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.900 ppm2 0.875 CV 1 ASSI { 2194} (( segid " " and resid 30 and name HN )) ( segid " " and resid 22 and name HG2%) 3.500 1.600 1.600 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.900 ppm2 1.333 CV 1 ASSI { 2195} (( segid " " and resid 93 and name HD22)) (( segid " " and resid 92 and name HB1 )) 3.400 3.400 2.600 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.894 ppm2 2.461 CV 1 ASSI { 2205} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HA1 )) 3.400 1.500 1.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.838 ppm2 3.873 CV 1 ASSI { 2207} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HG2 )) 3.600 1.600 1.600 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.838 ppm2 1.354 CV 1 OR { 2207} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HG1 )) ASSI { 2212} (( segid " " and resid 59 and name HE21)) (( segid " " and resid 59 and name HA )) 3.700 1.700 1.700 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.797 ppm2 4.524 CV 1 ASSI { 2213} (( segid " " and resid 59 and name HE21)) (( segid " " and resid 59 and name HG2 )) 3.000 1.100 1.100 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.797 ppm2 2.398 CV 1 OR { 2213} (( segid " " and resid 59 and name HE21)) (( segid " " and resid 59 and name HG1 )) ASSI { 2222} (( segid " " and resid 142 and name HE22)) (( segid " " and resid 142 and name HG2 )) 3.700 1.700 1.700 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.777 ppm2 2.446 CV 1 ASSI { 2223} (( segid " " and resid 142 and name HE22)) (( segid " " and resid 141 and name HB1 )) 3.400 1.500 1.500 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.778 ppm2 1.964 CV 1 ASSI { 2224} (( segid " " and resid 142 and name HE22)) ( segid " " and resid 10 and name HG2%) 3.600 1.600 1.600 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.777 ppm2 1.017 CV 1 ASSI { 2231} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HN )) 3.500 1.600 1.600 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.838 ppm2 8.658 CV 1 ASSI { 2238} (( segid " " and resid 108 and name HN )) (( segid " " and resid 15 and name HA )) 2.900 1.000 1.000 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.838 ppm2 4.562 CV 1 ASSI { 2241} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HB )) 3.400 3.400 2.600 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.839 ppm2 3.667 CV 1 ASSI { 2253} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 34 and name HB2 )) 3.700 1.800 1.800 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.618 ppm2 2.912 CV 1 ASSI { 2254} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 34 and name HB1 )) 3.700 1.700 1.700 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.619 ppm2 2.734 CV 1 ASSI { 2255} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HD% ) 3.300 1.400 1.400 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.386 ppm2 7.100 CV 1 ASSI { 2257} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA1 )) 3.200 1.300 1.300 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.385 ppm2 4.286 CV 1 ASSI { 2262} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HN )) 3.500 3.500 2.500 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.384 ppm2 6.887 CV 1 ASSI { 2263} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA2 )) 3.100 1.200 1.200 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.385 ppm2 4.554 CV 1 ASSI { 2264} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HD1 )) 3.300 1.300 1.300 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.384 ppm2 3.311 CV 1 ASSI { 2267} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.300 1.400 1.400 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.384 ppm2 2.182 CV 1 ASSI { 2268} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.800 1.800 1.800 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.383 ppm2 1.959 CV 1 ASSI { 2269} (( segid " " and resid 27 and name HN )) ( segid " " and resid 46 and name HG2%) 3.300 1.400 1.400 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.384 ppm2 1.259 CV 1 ASSI { 2270} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.200 2.200 3.800 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 5.741 ppm2 8.171 CV 1 ASSI { 2272} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.600 0.900 0.900 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 5.741 ppm2 4.438 CV 1 ASSI { 2273} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.200 1.300 1.300 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 5.740 ppm2 1.530 CV 1 ASSI { 2274} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 5.740 ppm2 1.264 CV 1 ASSI { 2275} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG )) 3.600 1.700 1.700 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 5.742 ppm2 0.759 CV 1 ASSI { 2297} (( segid " " and resid 31 and name HE1 )) (( segid " " and resid 31 and name HB2 )) 3.600 1.700 1.700 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 12.007 ppm2 2.145 CV 1 ASSI { 2298} (( segid " " and resid 31 and name HE1 )) (( segid " " and resid 147 and name HB2 )) 2.800 1.000 1.000 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 12.006 ppm2 1.988 CV 1 ASSI { 2299} (( segid " " and resid 31 and name HE1 )) (( segid " " and resid 154 and name HE1 )) 3.200 3.200 2.800 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 11.997 ppm2 2.567 CV 1 ASSI { 2324} (( segid " " and resid 99 and name HN )) ( segid " " and resid 113 and name HG2%) 3.100 1.200 1.200 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.681 ppm2 0.193 CV 1 ASSI { 2329} (( segid " " and resid 53 and name HE1 )) (( segid " " and resid 68 and name HG12)) 1.900 0.500 0.500 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.249 ppm2 0.373 CV 1 ASSI { 2331} (( segid " " and resid 102 and name HN )) ( segid " " and resid 111 and name HG1%) 3.900 1.900 1.900 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.636 ppm2 -0.020 CV 1 ASSI { 2337} (( segid " " and resid 67 and name HN )) ( segid " " and resid 79 and name HG2%) 4.000 2.000 2.000 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 -0.104 CV 1 ASSI { 2340} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HD2%) 4.300 2.400 1.700 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.162 ppm2 0.247 CV 1 ASSI { 2342} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HE1 )) 3.700 1.700 1.700 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.170 ppm2 9.010 CV 1 ASSI { 2343} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HN )) 3.400 1.400 1.400 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.119 ppm2 8.809 CV 1 ASSI { 2344} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 3.500 1.600 1.600 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.119 ppm2 8.581 CV 1 ASSI { 2346} (( segid " " and resid 78 and name HN )) (( segid " " and resid 99 and name HN )) 3.400 1.400 1.400 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.539 ppm2 9.708 CV 1 ASSI { 2347} (( segid " " and resid 6 and name HN )) ( segid " " and resid 116 and name HG2%) 3.400 1.400 1.400 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.116 ppm2 0.689 CV 1 ASSI { 2355} (( segid " " and resid 130 and name HN )) (( segid " " and resid 132 and name HN )) 3.500 1.500 1.500 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.858 ppm2 8.205 CV 1 ASSI { 2358} (( segid " " and resid 14 and name HN )) ( segid " " and resid 148 and name HD1%) 3.900 1.900 1.900 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.737 ppm2 0.386 CV 1 ASSI { 2359} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 3.600 1.700 1.700 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.234 ppm2 10.216 CV 1 ASSI { 2372} (( segid " " and resid 8 and name HN )) (( segid " " and resid 115 and name HN )) 3.800 3.800 2.200 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.009 ppm2 10.225 CV 1 ASSI { 2373} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HN )) 3.100 1.200 1.200 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.662 ppm2 8.683 CV 1 ASSI { 2377} (( segid " " and resid 70 and name HN )) ( segid " " and resid 79 and name HG2%) 3.900 1.900 1.900 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.566 ppm2 -0.105 CV 1 ASSI { 2378} (( segid " " and resid 70 and name HN )) (( segid " " and resid 80 and name HN )) 4.400 2.500 1.600 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.566 ppm2 9.954 CV 1 ASSI { 2384} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB )) 3.200 1.300 1.300 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 11.235 ppm2 4.013 CV 1 ASSI { 2385} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD2 )) 3.300 1.400 1.400 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 11.224 ppm2 3.590 CV 1 ASSI { 2387} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) 3.400 3.400 2.600 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 11.243 ppm2 0.689 CV 1 ASSI { 2392} (( segid " " and resid 88 and name HN )) ( segid " " and resid 83 and name HD2%) 3.400 1.400 1.400 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.303 ppm2 0.286 CV 1 ASSI { 2393} (( segid " " and resid 88 and name HN )) ( segid " " and resid 89 and name HG2%) 4.100 2.100 1.900 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.305 ppm2 0.918 CV 1 ASSI { 2403} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HG11)) 3.600 1.600 1.600 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.913 ppm2 -0.654 CV 1 ASSI { 2406} (( segid " " and resid 119 and name HN )) (( segid " " and resid 121 and name HN )) 3.300 1.400 1.400 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.947 ppm2 7.837 CV 1 ASSI { 2410} (( segid " " and resid 33 and name HD22)) (( segid " " and resid 33 and name HD21)) 2.400 0.700 0.700 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.147 ppm2 8.274 CV 1 ASSI { 2415} (( segid " " and resid 80 and name HN )) (( segid " " and resid 96 and name HA )) 3.600 1.600 1.600 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.942 ppm2 5.441 CV 1 ASSI { 2416} (( segid " " and resid 80 and name HN )) (( segid " " and resid 69 and name HD1 )) 3.000 1.100 1.100 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.943 ppm2 2.988 CV 1 ASSI { 2424} (( segid " " and resid 152 and name HN )) ( segid " " and resid 148 and name HG2%) 2.400 2.400 3.600 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.201 ppm2 0.673 CV 1 ASSI { 2425} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HN )) 3.100 1.200 1.200 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.873 ppm2 8.252 CV 1 ASSI { 2427} (( segid " " and resid 136 and name HN )) (( segid " " and resid 139 and name HN )) 3.300 1.400 1.400 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 6.947 CV 1 ASSI { 2429} (( segid " " and resid 136 and name HN )) ( segid " " and resid 139 and name HG2%) 3.800 3.800 2.200 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.295 ppm2 1.105 CV 1 ASSI { 2430} (( segid " " and resid 136 and name HN )) ( segid " " and resid 140 and name HD1%) 3.900 3.900 2.100 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.300 ppm2 -0.407 CV 1 ASSI { 1} (( segid " " and resid 86 and name HA )) (( segid " " and resid 87 and name HN )) 2.800 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.936 ppm2 7.967 CV 1 ASSI { 2} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HD2 )) 3.900 1.900 1.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.917 ppm2 3.323 CV 1 ASSI { 5} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HN )) 2.700 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.898 ppm2 8.331 CV 1 ASSI { 6} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.900 ppm2 2.667 CV 1 ASSI { 7} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB1 )) 3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.897 ppm2 2.469 CV 1 ASSI { 10} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HN )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.907 ppm2 7.890 CV 1 ASSI { 11} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB1 )) 2.600 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.907 ppm2 2.503 CV 1 ASSI { 12} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.900 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.907 ppm2 2.252 CV 1 ASSI { 13} (( segid " " and resid 104 and name HA )) (( segid " " and resid 108 and name HB1 )) 3.600 1.600 1.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.907 ppm2 1.862 CV 1 ASSI { 15} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HN )) 2.500 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.794 ppm2 7.207 CV 1 ASSI { 16} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB2 )) 2.600 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.793 ppm2 2.888 CV 1 OR { 16} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB1 )) ASSI { 25} (( segid " " and resid 15 and name HA )) (( segid " " and resid 104 and name HB2 )) 3.000 3.000 3.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.561 ppm2 2.239 CV 1 ASSI { 26} (( segid " " and resid 15 and name HA )) ( segid " " and resid 109 and name HG2%) 3.500 1.500 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.561 ppm2 1.289 CV 1 ASSI { 27} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.558 ppm2 1.914 CV 1 ASSI { 28} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HN )) 2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.552 ppm2 8.706 CV 1 ASSI { 29} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HN )) 2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.553 ppm2 7.317 CV 1 ASSI { 30} (( segid " " and resid 15 and name HA )) ( segid " " and resid 148 and name HG2%) 3.700 3.700 2.300 peak 30 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.554 ppm2 0.703 CV 1 ASSI { 31} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 1.981 CV 1 ASSI { 32} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.507 ppm2 8.615 CV 1 ASSI { 33} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.504 ppm2 7.885 CV 1 ASSI { 34} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HG1 )) 3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.506 ppm2 2.254 CV 1 ASSI { 35} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HG1 )) 3.500 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.505 ppm2 1.734 CV 1 OR { 35} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB2 )) ASSI { 36} (( segid " " and resid 125 and name HA )) ( segid " " and resid 129 and name HG2%) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.507 ppm2 1.161 CV 1 ASSI { 42} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) 3.000 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.474 ppm2 1.695 CV 1 ASSI { 43} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.498 ppm2 8.323 CV 1 ASSI { 44} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB1 )) 3.100 1.200 1.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.498 ppm2 2.391 CV 1 OR { 44} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG1 )) ASSI { 46} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) 2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.486 ppm2 1.783 CV 1 OR { 46} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) ASSI { 47} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG1 )) 2.900 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.486 ppm2 1.370 CV 1 ASSI { 48} (( segid " " and resid 39 and name HA )) ( segid " " and resid 40 and name HG2%) 3.200 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.484 ppm2 1.012 CV 1 ASSI { 49} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HE1 )) 3.500 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.474 ppm2 2.953 CV 1 OR { 49} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HE2 )) ASSI { 52} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.488 ppm2 8.190 CV 1 ASSI { 59} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG2 )) 2.900 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.487 ppm2 1.514 CV 1 ASSI { 64} (( segid " " and resid 149 and name HA )) (( segid " " and resid 13 and name HN )) 3.300 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.476 ppm2 9.130 CV 1 ASSI { 65} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HN )) 2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.476 ppm2 8.164 CV 1 ASSI { 66} (( segid " " and resid 149 and name HA )) (( segid " " and resid 154 and name HE2 )) 3.600 1.600 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.476 ppm2 2.750 CV 1 ASSI { 67} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.476 ppm2 7.942 CV 1 ASSI { 68} (( segid " " and resid 149 and name HA )) (( segid " " and resid 148 and name HN )) 3.600 3.600 2.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.472 ppm2 7.653 CV 1 ASSI { 69} (( segid " " and resid 149 and name HA )) (( segid " " and resid 13 and name HB1 )) 3.700 1.700 1.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.474 ppm2 1.974 CV 1 ASSI { 70} (( segid " " and resid 149 and name HA )) ( segid " " and resid 148 and name HG2%) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.474 ppm2 0.673 CV 1 ASSI { 71} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name HN )) 2.600 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.458 ppm2 8.719 CV 1 ASSI { 73} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG2 )) 3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.458 ppm2 1.385 CV 1 ASSI { 74} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG1 )) 2.600 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.458 ppm2 1.172 CV 1 ASSI { 78} (( segid " " and resid 153 and name HA )) (( segid " " and resid 152 and name HN )) 3.500 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.381 ppm2 8.191 CV 1 ASSI { 80} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB )) 2.800 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.372 ppm2 2.187 CV 1 ASSI { 82} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HN )) 2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.348 ppm2 9.634 CV 1 ASSI { 83} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB )) 2.800 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.348 ppm2 1.982 CV 1 ASSI { 84} (( segid " " and resid 102 and name HA )) ( segid " " and resid 103 and name HB% ) 4.000 2.000 2.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.348 ppm2 1.544 CV 1 ASSI { 85} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.400 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.369 ppm2 8.558 CV 1 ASSI { 86} (( segid " " and resid 143 and name HA )) (( segid " " and resid 31 and name HD1 )) 2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.366 ppm2 7.097 CV 1 ASSI { 87} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HG1%) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.369 ppm2 1.389 CV 1 ASSI { 88} (( segid " " and resid 71 and name HA )) ( segid " " and resid 71 and name HG2%) 2.700 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.369 ppm2 1.154 CV 1 ASSI { 93} (( segid " " and resid 102 and name HA )) (( segid " " and resid 101 and name HA )) 3.200 1.300 1.300 peak 93 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.356 ppm2 4.985 CV 1 ASSI { 94} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HN )) 2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.344 ppm2 8.663 CV 1 ASSI { 99} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HB1 )) 3.600 3.600 2.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.332 ppm2 1.488 CV 1 ASSI { 101} (( segid " " and resid 102 and name HA )) (( segid " " and resid 16 and name HD1 )) 3.000 1.100 1.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.348 ppm2 3.228 CV 1 ASSI { 103} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG1%) 2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.348 ppm2 0.924 CV 1 OR { 103} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG2%) ASSI { 104} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HN )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.345 ppm2 9.140 CV 1 ASSI { 105} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HN )) 2.800 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.336 ppm2 8.155 CV 1 ASSI { 106} (( segid " " and resid 139 and name HB )) (( segid " " and resid 140 and name HN )) 2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.289 ppm2 8.043 CV 1 ASSI { 111} (( segid " " and resid 139 and name HB )) (( segid " " and resid 136 and name HA1 )) 3.500 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.284 ppm2 3.651 CV 1 ASSI { 114} (( segid " " and resid 139 and name HB )) ( segid " " and resid 139 and name HG2%) 2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.286 ppm2 1.133 CV 1 ASSI { 118} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.500 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 8.323 CV 1 ASSI { 119} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 1.911 CV 1 OR { 119} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 120} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HB1 )) 3.500 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 1.622 CV 1 ASSI { 121} (( segid " " and resid 61 and name HA )) ( segid " " and resid 56 and name HG2%) 3.200 1.300 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 1.076 CV 1 ASSI { 122} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HN )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.188 ppm2 8.948 CV 1 ASSI { 123} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB1 )) 2.800 1.000 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.190 ppm2 2.710 CV 1 ASSI { 128} (( segid " " and resid 50 and name HA2 )) (( segid " " and resid 50 and name HN )) 3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.127 ppm2 8.697 CV 1 ASSI { 129} (( segid " " and resid 50 and name HA2 )) (( segid " " and resid 51 and name HN )) 3.400 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.127 ppm2 7.560 CV 1 ASSI { 131} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 55 and name HB1 )) 3.300 3.300 2.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.127 ppm2 1.943 CV 1 ASSI { 132} (( segid " " and resid 50 and name HA2 )) (( segid " " and resid 49 and name HG2 )) 4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.127 ppm2 1.516 CV 1 ASSI { 134} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.123 ppm2 8.232 CV 1 ASSI { 135} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB1 )) 2.900 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.119 ppm2 1.958 CV 1 ASSI { 137} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HN )) 2.600 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.119 ppm2 7.954 CV 1 ASSI { 141} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HB1 )) 3.600 3.600 2.400 peak 141 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.113 ppm2 4.555 CV 1 ASSI { 142} (( segid " " and resid 142 and name HA )) ( segid " " and resid 141 and name HD1%) 2.200 2.200 3.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.101 ppm2 0.734 CV 1 ASSI { 145} (( segid " " and resid 139 and name HA )) ( segid " " and resid 139 and name HG2%) 2.900 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.029 ppm2 1.133 CV 1 ASSI { 147} (( segid " " and resid 152 and name HA2 )) (( segid " " and resid 155 and name HE1 )) 3.000 3.000 3.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.036 ppm2 3.019 CV 1 OR { 147} (( segid " " and resid 152 and name HA2 )) (( segid " " and resid 155 and name HE2 )) OR { 147} (( segid " " and resid 152 and name HA1 )) (( segid " " and resid 155 and name HE1 )) OR { 147} (( segid " " and resid 152 and name HA1 )) (( segid " " and resid 155 and name HE2 )) ASSI { 148} (( segid " " and resid 152 and name HA1 )) ( segid " " and resid 153 and name HB% ) 3.200 1.300 1.300 peak 148 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.036 ppm2 1.483 CV 1 OR { 148} (( segid " " and resid 152 and name HA2 )) ( segid " " and resid 153 and name HB% ) ASSI { 162} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HN )) 2.800 1.000 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.749 ppm2 8.259 CV 1 ASSI { 164} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HN )) 3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 8.162 CV 1 ASSI { 165} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HN )) 2.500 0.800 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 7.659 CV 1 ASSI { 167} (( segid " " and resid 148 and name HA )) (( segid " " and resid 149 and name HA )) 3.000 3.000 3.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 4.456 CV 1 ASSI { 168} (( segid " " and resid 148 and name HA )) (( segid " " and resid 147 and name HA )) 3.000 3.000 3.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 4.261 CV 1 ASSI { 170} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.800 1.800 1.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 2.031 CV 1 ASSI { 171} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB )) 2.600 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 1.751 CV 1 ASSI { 173} (( segid " " and resid 148 and name HA )) ( segid " " and resid 14 and name HB% ) 3.300 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 1.318 CV 1 ASSI { 174} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HG2%) 2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 0.657 CV 1 ASSI { 176} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 8.729 CV 1 ASSI { 177} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.400 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 8.428 CV 1 ASSI { 179} (( segid " " and resid 148 and name HA )) (( segid " " and resid 150 and name HN )) 3.000 1.100 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 7.930 CV 1 ASSI { 181} (( segid " " and resid 68 and name HA )) (( segid " " and resid 79 and name HA )) 2.000 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 4.474 CV 1 ASSI { 184} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HD1 )) 3.400 1.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 2.989 CV 1 ASSI { 185} (( segid " " and resid 148 and name HA )) (( segid " " and resid 151 and name HG2 )) 2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 2.322 CV 1 ASSI { 192} (( segid " " and resid 68 and name HA )) ( segid " " and resid 79 and name HG2%) 3.400 1.400 1.400 peak 192 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.615 ppm2 -0.106 CV 1 ASSI { 193} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB2 )) 3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.206 ppm2 1.863 CV 1 ASSI { 198} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB1 )) 2.800 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.201 ppm2 1.634 CV 1 ASSI { 207} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 89 and name HN )) 2.900 1.000 1.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.201 ppm2 8.705 CV 1 ASSI { 209} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 129 and name HA )) 3.000 3.000 3.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.197 ppm2 3.654 CV 1 ASSI { 214} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HN )) 3.300 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.028 ppm2 7.597 CV 1 ASSI { 215} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 125 and name HN )) 3.200 3.200 2.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.028 ppm2 7.268 CV 1 ASSI { 217} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 11 and name HN )) 2.900 2.900 3.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.015 ppm2 8.510 CV 1 ASSI { 219} (( segid " " and resid 69 and name HD1 )) ( segid " " and resid 67 and name HD1%) 3.200 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.003 ppm2 0.823 CV 1 OR { 219} (( segid " " and resid 69 and name HD1 )) ( segid " " and resid 67 and name HD2%) ASSI { 223} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.941 ppm2 8.775 CV 1 ASSI { 224} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.400 1.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.941 ppm2 8.535 CV 1 ASSI { 225} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 76 and name HN )) 3.000 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.941 ppm2 8.285 CV 1 ASSI { 226} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 226 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.941 ppm2 5.118 CV 1 ASSI { 227} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 76 and name HB )) 2.900 1.100 1.100 peak 227 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.941 ppm2 3.972 CV 1 ASSI { 228} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 2.200 0.600 0.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.941 ppm2 2.415 CV 1 ASSI { 230} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.927 ppm2 1.682 CV 1 ASSI { 233} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.300 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.847 ppm2 6.381 CV 1 ASSI { 234} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HE% ) 3.600 1.600 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.857 ppm2 6.856 CV 1 ASSI { 236} (( segid " " and resid 118 and name HB1 )) ( segid " " and resid 118 and name HD% ) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.850 ppm2 7.186 CV 1 ASSI { 237} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.850 ppm2 4.104 CV 1 ASSI { 238} (( segid " " and resid 45 and name HA2 )) (( segid " " and resid 46 and name HN )) 3.200 1.300 1.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.827 ppm2 8.210 CV 1 ASSI { 239} (( segid " " and resid 128 and name HD1 )) (( segid " " and resid 125 and name HN )) 3.500 3.500 2.500 peak 239 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.850 ppm2 7.297 CV 1 ASSI { 241} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 86 and name HD% ) 2.800 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.795 ppm2 7.299 CV 1 ASSI { 242} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HB2 )) 2.300 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.793 ppm2 3.582 CV 1 ASSI { 245} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 2.600 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.788 ppm2 8.396 CV 1 ASSI { 246} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HD21)) 2.900 2.900 3.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.786 ppm2 7.561 CV 1 ASSI { 247} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 84 and name HD21)) 3.400 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.788 ppm2 6.892 CV 1 ASSI { 251} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 140 and name HA )) 3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.784 ppm2 3.055 CV 1 ASSI { 252} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 147 and name HN )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.708 ppm2 7.662 CV 1 ASSI { 253} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 150 and name HA )) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.708 ppm2 4.102 CV 1 ASSI { 254} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 150 and name HG1 )) 2.900 1.000 1.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.708 ppm2 2.423 CV 1 ASSI { 255} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 150 and name HG2 )) 3.300 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.708 ppm2 2.248 CV 1 OR { 255} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 150 and name HB1 )) ASSI { 257} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HN )) 2.700 0.900 0.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.704 ppm2 8.162 CV 1 ASSI { 258} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 150 and name HN )) 2.500 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.706 ppm2 7.942 CV 1 ASSI { 261} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 154 and name HD1 )) 3.400 1.400 1.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.706 ppm2 1.723 CV 1 OR { 261} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 154 and name HD2 )) ASSI { 263} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 13 and name HG2 )) 3.700 1.700 1.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.706 ppm2 1.321 CV 1 ASSI { 264} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 148 and name HG2%) 3.500 3.500 2.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.705 ppm2 0.701 CV 1 ASSI { 265} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HN )) 3.400 1.500 1.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.704 ppm2 8.939 CV 1 ASSI { 266} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 146 and name HN )) 2.200 2.200 3.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.693 ppm2 8.645 CV 1 ASSI { 269} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 148 and name HN )) 3.500 1.500 1.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.693 ppm2 7.674 CV 1 ASSI { 275} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.300 1.400 1.400 peak 275 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.582 ppm2 8.403 CV 1 ASSI { 277} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 139 and name HN )) 3.200 3.200 2.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.582 ppm2 6.908 CV 1 ASSI { 279} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 136 and name HA1 )) 2.800 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.582 ppm2 3.614 CV 1 ASSI { 313} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HN )) 3.300 1.400 1.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.431 ppm2 8.347 CV 1 ASSI { 314} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HA )) 3.200 1.300 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.431 ppm2 4.498 CV 1 ASSI { 330} (( segid " " and resid 58 and name HG1 )) (( segid " " and resid 58 and name HN )) 3.300 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.415 ppm2 8.375 CV 1 ASSI { 333} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HN )) 3.600 1.600 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.405 ppm2 8.158 CV 1 ASSI { 336} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HN )) 3.500 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.412 ppm2 8.777 CV 1 ASSI { 337} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) 3.300 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.413 ppm2 8.532 CV 1 ASSI { 338} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.411 ppm2 5.117 CV 1 ASSI { 344} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 77 and name HG )) 3.400 3.400 2.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.412 ppm2 0.901 CV 1 OR { 344} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 77 and name HD1%) ASSI { 345} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.410 ppm2 8.288 CV 1 ASSI { 347} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 71 and name HA )) 4.400 2.500 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.405 ppm2 4.377 CV 1 ASSI { 349} (( segid " " and resid 58 and name HG1 )) (( segid " " and resid 57 and name HA )) 4.200 2.200 1.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.414 ppm2 5.024 CV 1 ASSI { 350} (( segid " " and resid 58 and name HG1 )) (( segid " " and resid 59 and name HE21)) 3.300 3.300 2.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.418 ppm2 6.790 CV 1 ASSI { 352} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 148 and name HN )) 3.100 3.100 2.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.425 ppm2 7.688 CV 1 ASSI { 356} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HE22)) 3.200 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.378 ppm2 7.574 CV 1 ASSI { 358} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HA )) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.381 ppm2 3.360 CV 1 ASSI { 359} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 10 and name HG1%) 2.800 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.381 ppm2 0.997 CV 1 OR { 359} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 10 and name HG2%) ASSI { 360} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 12 and name HG2%) 3.200 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.381 ppm2 0.745 CV 1 ASSI { 361} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 141 and name HB2 )) 3.500 3.500 2.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.370 ppm2 1.492 CV 1 ASSI { 363} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 59 and name HA )) 3.600 1.600 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.334 ppm2 4.487 CV 1 ASSI { 368} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 151 and name HN )) 2.300 2.300 3.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.328 ppm2 8.155 CV 1 ASSI { 369} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 148 and name HN )) 3.200 3.200 2.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.330 ppm2 7.683 CV 1 ASSI { 372} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 21 and name HG2 )) 2.200 2.200 3.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.326 ppm2 1.358 CV 1 ASSI { 375} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 30 and name HN )) 2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.290 ppm2 6.936 CV 1 ASSI { 376} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 30 and name HA )) 2.900 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.286 ppm2 4.953 CV 1 OR { 376} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 30 and name HA )) ASSI { 380} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 30 and name HN )) 2.600 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.272 ppm2 6.940 CV 1 OR { 380} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 30 and name HN )) ASSI { 382} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 29 and name HN )) 3.000 1.100 1.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.265 ppm2 7.979 CV 1 OR { 382} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 29 and name HN )) ASSI { 383} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 32 and name HD2 )) 3.800 3.800 2.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.266 ppm2 3.274 CV 1 OR { 383} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 32 and name HD2 )) ASSI { 384} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 26 and name HA2 )) 2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.265 ppm2 4.549 CV 1 OR { 384} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 26 and name HA2 )) ASSI { 385} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 28 and name HD2 )) 2.700 2.700 3.300 peak 385 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.263 ppm2 3.065 CV 1 OR { 385} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 28 and name HD2 )) ASSI { 386} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 147 and name HB1 )) 3.100 3.100 2.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.263 ppm2 1.476 CV 1 OR { 386} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 147 and name HB1 )) ASSI { 389} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HA )) 2.600 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.209 ppm2 4.141 CV 1 OR { 389} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HA )) ASSI { 390} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HB1 )) 3.600 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.208 ppm2 2.689 CV 1 OR { 390} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 149 and name HB1 )) ASSI { 391} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HN )) 3.100 1.200 1.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.161 ppm2 8.348 CV 1 ASSI { 393} (( segid " " and resid 10 and name HB )) ( segid " " and resid 10 and name HG2%) 2.600 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.160 ppm2 1.009 CV 1 OR { 393} (( segid " " and resid 10 and name HB )) ( segid " " and resid 10 and name HG1%) ASSI { 394} (( segid " " and resid 10 and name HB )) ( segid " " and resid 141 and name HD1%) 3.200 1.300 1.300 peak 394 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.161 ppm2 0.777 CV 1 ASSI { 395} (( segid " " and resid 10 and name HB )) ( segid " " and resid 19 and name HB% ) 3.000 3.000 3.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.162 ppm2 1.606 CV 1 ASSI { 402} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 52 and name HD2 )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.017 ppm2 3.236 CV 1 ASSI { 404} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 54 and name HB2 )) 3.300 1.400 1.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.009 ppm2 2.658 CV 1 OR { 404} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 54 and name HB1 )) ASSI { 409} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.975 ppm2 8.042 CV 1 ASSI { 411} (( segid " " and resid 111 and name HB )) ( segid " " and resid 111 and name HG1%) 2.500 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.011 ppm2 -0.033 CV 1 ASSI { 412} (( segid " " and resid 111 and name HB )) ( segid " " and resid 111 and name HG2%) 2.500 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.005 ppm2 0.927 CV 1 ASSI { 413} (( segid " " and resid 40 and name HB )) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.971 ppm2 3.533 CV 1 ASSI { 416} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HE2 )) 3.300 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.982 ppm2 3.013 CV 1 OR { 416} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HE1 )) ASSI { 417} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 15 and name HN )) 3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.978 ppm2 8.282 CV 1 ASSI { 419} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HN )) 2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.974 ppm2 8.614 CV 1 ASSI { 421} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 115 and name HB1 )) 3.500 3.500 2.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.977 ppm2 2.772 CV 1 ASSI { 423} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HA )) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.971 ppm2 5.176 CV 1 ASSI { 425} (( segid " " and resid 102 and name HB )) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.995 ppm2 9.649 CV 1 ASSI { 428} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.956 ppm2 2.240 CV 1 ASSI { 434} (( segid " " and resid 12 and name HB )) (( segid " " and resid 13 and name HN )) 3.100 1.200 1.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.995 ppm2 9.121 CV 1 ASSI { 436} (( segid " " and resid 21 and name HB1 )) ( segid " " and resid 20 and name HD% ) 3.400 1.400 1.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.952 ppm2 7.070 CV 1 ASSI { 440} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 138 and name HG2 )) 3.400 3.400 2.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.912 ppm2 2.351 CV 1 OR { 440} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 138 and name HG1 )) ASSI { 441} (( segid " " and resid 40 and name HB )) ( segid " " and resid 40 and name HG1%) 2.800 1.000 1.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.940 ppm2 0.916 CV 1 ASSI { 447} (( segid " " and resid 154 and name HB2 )) (( segid " " and resid 154 and name HE2 )) 2.500 0.800 0.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.924 ppm2 2.749 CV 1 ASSI { 449} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HN )) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.912 ppm2 7.298 CV 1 ASSI { 459} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.939 ppm2 7.563 CV 1 ASSI { 460} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HN )) 3.000 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.936 ppm2 8.700 CV 1 ASSI { 464} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 103 and name HA )) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.940 ppm2 4.517 CV 1 OR { 464} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 103 and name HA )) ASSI { 466} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 46 and name HA )) 4.100 2.100 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.941 ppm2 4.989 CV 1 ASSI { 467} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HB1 )) 3.500 3.500 2.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.932 ppm2 3.133 CV 1 ASSI { 470} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.865 ppm2 4.190 CV 1 ASSI { 471} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HD1 )) 2.900 1.000 1.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.864 ppm2 2.140 CV 1 ASSI { 472} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HN )) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.862 ppm2 7.826 CV 1 ASSI { 473} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HE1 )) 3.300 1.400 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.866 ppm2 3.052 CV 1 OR { 473} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HE2 )) ASSI { 474} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HN )) 2.500 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.865 ppm2 6.848 CV 1 ASSI { 478} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HN )) 3.300 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.860 ppm2 9.013 CV 1 ASSI { 479} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HE1 )) 3.100 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.862 ppm2 2.918 CV 1 OR { 479} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HE2 )) ASSI { 480} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.100 3.100 2.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.865 ppm2 4.483 CV 1 ASSI { 481} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 78 and name HG1%) 3.300 1.300 1.300 peak 481 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.865 ppm2 0.696 CV 1 ASSI { 483} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HA )) 2.900 1.100 1.100 peak 483 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.827 ppm2 4.312 CV 1 ASSI { 485} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 150 and name HG1 )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.832 ppm2 2.392 CV 1 ASSI { 486} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 150 and name HB1 )) 3.400 1.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.828 ppm2 2.208 CV 1 OR { 486} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 150 and name HB2 )) ASSI { 492} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.848 ppm2 3.869 CV 1 ASSI { 493} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HE1 )) 3.400 1.400 1.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.849 ppm2 2.998 CV 1 ASSI { 498} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 155 and name HE1 )) 3.400 3.400 2.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.834 ppm2 3.003 CV 1 OR { 498} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 155 and name HE2 )) ASSI { 501} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HG1 )) 2.800 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.828 ppm2 1.532 CV 1 ASSI { 505} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HE2 )) 3.400 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.783 ppm2 2.970 CV 1 OR { 505} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HE2 )) ASSI { 506} (( segid " " and resid 148 and name HB )) ( segid " " and resid 12 and name HG1%) 3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.775 ppm2 0.941 CV 1 ASSI { 508} (( segid " " and resid 148 and name HB )) (( segid " " and resid 148 and name HN )) 2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.753 ppm2 7.668 CV 1 ASSI { 509} (( segid " " and resid 148 and name HB )) ( segid " " and resid 148 and name HG2%) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.754 ppm2 0.685 CV 1 ASSI { 511} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HN )) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.742 ppm2 7.828 CV 1 ASSI { 512} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HA )) 3.000 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.741 ppm2 4.193 CV 1 ASSI { 514} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HG2 )) 3.000 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.742 ppm2 1.461 CV 1 ASSI { 515} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.600 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.731 ppm2 0.915 CV 1 ASSI { 516} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG1%) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.729 ppm2 0.717 CV 1 ASSI { 517} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HE2 )) 3.400 1.400 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.741 ppm2 3.049 CV 1 OR { 517} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HE1 )) ASSI { 524} (( segid " " and resid 99 and name HB )) ( segid " " and resid 99 and name HG1%) 2.600 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.696 ppm2 -0.374 CV 1 ASSI { 527} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HN )) 3.400 1.500 1.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.705 ppm2 7.590 CV 1 ASSI { 529} (( segid " " and resid 154 and name HD2 )) (( segid " " and resid 155 and name HA )) 3.000 3.000 3.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.700 ppm2 4.196 CV 1 ASSI { 535} (( segid " " and resid 24 and name HG )) (( segid " " and resid 48 and name HE2 )) 2.600 2.600 3.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.672 ppm2 2.989 CV 1 ASSI { 536} (( segid " " and resid 24 and name HG )) (( segid " " and resid 24 and name HN )) 3.400 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.667 ppm2 8.255 CV 1 ASSI { 550} (( segid " " and resid 13 and name HG1 )) (( segid " " and resid 154 and name HE2 )) 3.800 3.800 2.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.582 ppm2 2.755 CV 1 ASSI { 551} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 39 and name HN )) 3.300 1.400 1.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.581 ppm2 8.028 CV 1 ASSI { 552} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 42 and name HN )) 2.500 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.581 ppm2 7.699 CV 1 ASSI { 553} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 55 and name HA )) 3.300 1.300 1.300 peak 553 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.582 ppm2 5.288 CV 1 ASSI { 555} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.580 ppm2 4.474 CV 1 ASSI { 556} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 55 and name HG2 )) 3.300 1.400 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.581 ppm2 2.210 CV 1 ASSI { 557} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 19 and name HN )) 2.600 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.589 ppm2 8.915 CV 1 ASSI { 558} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HN )) 2.500 0.800 0.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.589 ppm2 8.744 CV 1 ASSI { 559} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 18 and name HN )) 3.600 1.600 1.600 peak 559 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.589 ppm2 8.238 CV 1 ASSI { 561} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 8 and name HE1 )) 3.000 3.000 3.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.589 ppm2 6.691 CV 1 ASSI { 565} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 12 and name HG1%) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.589 ppm2 0.908 CV 1 ASSI { 566} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 101 and name HA )) 3.400 1.500 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.586 ppm2 4.996 CV 1 ASSI { 567} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 109 and name HB )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.586 ppm2 3.647 CV 1 ASSI { 568} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HB2 )) 3.300 1.400 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.583 ppm2 2.993 CV 1 ASSI { 570} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 12 and name HB )) 3.000 1.100 1.100 peak 570 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.583 ppm2 2.019 CV 1 ASSI { 575} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 24 and name HN )) 3.100 3.100 2.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.525 ppm2 8.251 CV 1 ASSI { 577} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 50 and name HN )) 3.000 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.530 ppm2 8.686 CV 1 ASSI { 583} ( segid " " and resid 153 and name HB% ) (( segid " " and resid 152 and name HN )) 3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.463 ppm2 8.190 CV 1 ASSI { 584} ( segid " " and resid 153 and name HB% ) (( segid " " and resid 153 and name HN )) 3.000 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.463 ppm2 7.743 CV 1 ASSI { 586} ( segid " " and resid 153 and name HB% ) (( segid " " and resid 153 and name HA )) 2.900 1.100 1.100 peak 586 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.463 ppm2 4.380 CV 1 ASSI { 587} ( segid " " and resid 153 and name HB% ) (( segid " " and resid 150 and name HA )) 3.500 3.500 2.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.463 ppm2 4.119 CV 1 ASSI { 588} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 3.200 1.200 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.454 ppm2 8.532 CV 1 OR { 588} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HN )) ASSI { 591} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HD2 )) 2.800 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.443 ppm2 3.434 CV 1 OR { 591} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 74 and name HD2 )) ASSI { 597} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HN )) 3.000 1.100 1.100 peak 597 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.448 ppm2 8.275 CV 1 ASSI { 600} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 50 and name HN )) 2.300 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.443 ppm2 8.666 CV 1 ASSI { 608} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HE1 )) 3.000 1.100 1.100 peak 608 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.400 ppm2 2.990 CV 1 OR { 608} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HE2 )) ASSI { 614} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 109 and name HN )) 2.300 0.600 0.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.365 ppm2 9.011 CV 1 ASSI { 615} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HA )) 2.800 1.000 1.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.365 ppm2 5.137 CV 1 ASSI { 617} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.383 ppm2 4.115 CV 1 ASSI { 619} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 105 and name HA1 )) 2.800 2.800 3.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.380 ppm2 3.867 CV 1 ASSI { 625} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 71 and name HN )) 3.200 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.370 ppm2 8.716 CV 1 ASSI { 627} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.349 ppm2 8.534 CV 1 ASSI { 628} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 1 and name HD21)) 2.700 0.900 0.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.349 ppm2 6.982 CV 1 ASSI { 630} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 8 and name HA )) 3.100 3.100 2.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.350 ppm2 4.744 CV 1 ASSI { 631} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 1 and name HB2 )) 3.300 1.400 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.349 ppm2 2.932 CV 1 ASSI { 632} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 6 and name HB )) 2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.349 ppm2 2.398 CV 1 ASSI { 633} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 114 and name HG2 )) 3.500 3.500 2.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.348 ppm2 2.140 CV 1 OR { 633} ( segid " " and resid 6 and name HG1%) (( segid " " and resid 114 and name HB2 )) ASSI { 637} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 77 and name HA )) 2.700 2.700 3.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.361 ppm2 5.137 CV 1 ASSI { 639} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 19 and name HN )) 3.800 1.800 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.298 ppm2 8.925 CV 1 ASSI { 640} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HN )) 3.200 1.300 1.300 peak 640 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.298 ppm2 8.273 CV 1 ASSI { 645} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 126 and name HN )) 2.800 1.000 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.330 ppm2 8.231 CV 1 ASSI { 647} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 2 and name HA )) 2.200 2.200 3.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.331 ppm2 4.727 CV 1 ASSI { 648} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 127 and name HA )) 3.100 1.200 1.200 peak 648 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.330 ppm2 4.164 CV 1 ASSI { 649} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.330 ppm2 3.735 CV 1 ASSI { 651} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 125 and name HB2 )) 3.500 1.500 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.331 ppm2 2.895 CV 1 ASSI { 652} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 121 and name HB1 )) 2.200 2.200 3.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.329 ppm2 2.113 CV 1 ASSI { 653} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 130 and name HA )) 3.200 3.200 2.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.330 ppm2 1.996 CV 1 ASSI { 654} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 127 and name HB2 )) 3.500 1.500 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.330 ppm2 1.610 CV 1 OR { 654} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 127 and name HB1 )) ASSI { 657} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 133 and name HN )) 2.900 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.314 ppm2 8.527 CV 1 ASSI { 658} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 132 and name HN )) 3.000 3.000 3.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.313 ppm2 8.210 CV 1 ASSI { 659} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 130 and name HN )) 3.100 1.200 1.200 peak 659 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.312 ppm2 7.881 CV 1 ASSI { 663} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 129 and name HA )) 2.900 1.000 1.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.314 ppm2 3.664 CV 1 ASSI { 665} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 134 and name HB1 )) 3.300 3.300 2.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.314 ppm2 2.899 CV 1 ASSI { 667} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 130 and name HA )) 2.900 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.313 ppm2 2.003 CV 1 ASSI { 669} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 128 and name HG2 )) 3.900 1.900 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.312 ppm2 1.578 CV 1 ASSI { 671} ( segid " " and resid 129 and name HG1%) (( segid " " and resid 130 and name HB2 )) 3.400 3.400 2.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.311 ppm2 0.682 CV 1 ASSI { 677} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 30 and name HE1 )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.311 ppm2 10.247 CV 1 ASSI { 680} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.301 ppm2 7.728 CV 1 ASSI { 684} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 4.514 CV 1 ASSI { 685} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 18 and name HB )) 3.000 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.301 ppm2 4.100 CV 1 ASSI { 687} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 151 and name HG2 )) 3.700 1.700 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 2.315 CV 1 ASSI { 690} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 148 and name HG2%) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 0.673 CV 1 ASSI { 691} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 148 and name HD1%) 4.100 2.100 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 0.379 CV 1 ASSI { 692} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HD1 )) 2.800 1.000 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.298 ppm2 3.075 CV 1 OR { 692} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HA )) ASSI { 694} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HN )) 3.100 1.200 1.200 peak 694 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 8.995 CV 1 ASSI { 696} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 4.087 CV 1 ASSI { 697} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 101 and name HB1 )) 2.600 0.800 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 2.523 CV 1 ASSI { 698} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 16 and name HB1 )) 3.300 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.252 ppm2 1.922 CV 1 OR { 698} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 16 and name HB2 )) ASSI { 699} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 101 and name HN )) 3.800 1.800 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.249 ppm2 8.770 CV 1 ASSI { 700} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 11 and name HA )) 3.200 3.200 2.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.249 ppm2 5.274 CV 1 ASSI { 701} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 104 and name HB2 )) 3.200 3.200 2.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.249 ppm2 2.233 CV 1 ASSI { 702} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 102 and name HG1%) 3.500 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.251 ppm2 0.914 CV 1 ASSI { 706} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 101 and name HB2 )) 3.600 1.600 1.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.235 ppm2 3.958 CV 1 ASSI { 707} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name HN )) 2.800 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 9.844 CV 1 ASSI { 708} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 9.641 CV 1 ASSI { 709} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 16 and name HN )) 3.400 1.400 1.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 8.283 CV 1 ASSI { 711} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 4.901 CV 1 ASSI { 712} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 712 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 4.550 CV 1 ASSI { 713} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HB )) 2.600 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.253 ppm2 3.674 CV 1 ASSI { 720} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 16 and name HD2 )) 3.300 3.300 2.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.231 ppm2 3.322 CV 1 ASSI { 721} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.227 ppm2 5.012 CV 1 ASSI { 722} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 102 and name HN )) 3.200 3.200 2.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.224 ppm2 9.658 CV 1 ASSI { 723} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.224 ppm2 5.894 CV 1 ASSI { 724} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 111 and name HA )) 3.200 1.300 1.300 peak 724 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.225 ppm2 4.303 CV 1 ASSI { 725} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HB )) 2.800 1.000 1.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.225 ppm2 3.936 CV 1 ASSI { 727} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 53 and name HD1 )) 3.200 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.231 ppm2 6.713 CV 1 ASSI { 730} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HB )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.231 ppm2 2.202 CV 1 ASSI { 731} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 99 and name HN )) 3.300 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.199 ppm2 9.684 CV 1 ASSI { 732} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 101 and name HN )) 3.000 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.199 ppm2 8.779 CV 1 ASSI { 733} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 78 and name HN )) 3.500 3.500 2.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.198 ppm2 8.536 CV 1 ASSI { 734} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HN )) 3.000 1.200 1.200 peak 734 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.199 ppm2 8.283 CV 1 ASSI { 735} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 101 and name HD% ) 3.500 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.197 ppm2 7.107 CV 1 ASSI { 736} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HA )) 2.600 0.900 0.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.199 ppm2 5.891 CV 1 ASSI { 739} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HB )) 2.600 0.900 0.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.198 ppm2 3.975 CV 1 ASSI { 748} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 16 and name HD2 )) 3.500 1.500 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.193 ppm2 3.311 CV 1 ASSI { 756} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 108 and name HE1 )) 3.100 1.200 1.200 peak 756 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.136 ppm2 2.931 CV 1 ASSI { 757} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 99 and name HN )) 3.100 1.200 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.154 ppm2 9.680 CV 1 ASSI { 758} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.154 ppm2 5.158 CV 1 ASSI { 762} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 148 and name HB )) 4.100 2.200 1.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.155 ppm2 1.767 CV 1 ASSI { 763} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 19 and name HB% ) 3.900 1.900 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.155 ppm2 1.607 CV 1 ASSI { 764} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 17 and name HD1 )) 2.200 2.200 3.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.155 ppm2 1.407 CV 1 ASSI { 766} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HN )) 2.600 0.900 0.900 peak 766 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.155 ppm2 8.237 CV 1 ASSI { 767} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 76 and name HA )) 3.300 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.154 ppm2 5.908 CV 1 ASSI { 768} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.154 ppm2 2.147 CV 1 ASSI { 769} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 148 and name HD1%) 4.000 2.000 2.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.155 ppm2 0.356 CV 1 ASSI { 770} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HE2 )) 3.000 1.100 1.100 peak 770 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.141 ppm2 2.970 CV 1 OR { 770} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HE1 )) ASSI { 772} (( segid " " and resid 70 and name HG1 )) (( segid " " and resid 71 and name HN )) 2.900 1.100 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.156 ppm2 8.729 CV 1 ASSI { 774} ( segid " " and resid 24 and name HD2%) ( segid " " and resid 23 and name HE% ) 3.300 3.300 2.700 peak 774 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 7.100 CV 1 ASSI { 779} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 25 and name HN )) 3.600 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 8.638 CV 1 ASSI { 780} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HN )) 3.700 1.700 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.133 ppm2 8.245 CV 1 ASSI { 784} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HA )) 3.500 1.600 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.133 ppm2 4.639 CV 1 ASSI { 785} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.133 ppm2 4.199 CV 1 ASSI { 787} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 48 and name HE2 )) 2.900 2.900 3.100 peak 787 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 3.027 CV 1 ASSI { 788} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 25 and name HG2 )) 3.000 1.200 1.200 peak 788 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.133 ppm2 2.518 CV 1 ASSI { 789} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 25 and name HG1 )) 3.200 1.300 1.300 peak 789 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 2.236 CV 1 ASSI { 790} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HB2 )) 2.700 0.900 0.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 1.960 CV 1 ASSI { 791} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HG )) 2.500 0.800 0.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 1.655 CV 1 ASSI { 792} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 24 and name HB1 )) 2.600 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 1.426 CV 1 ASSI { 793} ( segid " " and resid 24 and name HD2%) ( segid " " and resid 71 and name HG1%) 2.800 1.000 1.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.134 ppm2 0.885 CV 1 ASSI { 794} ( segid " " and resid 24 and name HD2%) ( segid " " and resid 68 and name HD1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.133 ppm2 0.313 CV 1 ASSI { 795} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HN )) 2.200 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 9.249 CV 1 ASSI { 797} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 52 and name HN )) 2.900 1.000 1.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 8.648 CV 1 ASSI { 798} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 53 and name HD1 )) 2.600 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 6.717 CV 1 ASSI { 799} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 54 and name HD% ) 3.600 1.600 1.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.140 ppm2 6.430 CV 1 ASSI { 801} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HA )) 2.600 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 5.003 CV 1 ASSI { 803} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 25 and name HA )) 3.100 3.100 2.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 4.510 CV 1 ASSI { 804} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 51 and name HA1 )) 3.900 1.900 1.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 4.014 CV 1 ASSI { 805} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HB2 )) 3.500 1.500 1.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 3.081 CV 1 ASSI { 806} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HB1 )) 3.700 1.700 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 2.838 CV 1 ASSI { 807} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 25 and name HG2 )) 3.100 3.100 2.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 2.510 CV 1 ASSI { 808} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HB )) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 2.195 CV 1 ASSI { 809} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 53 and name HB2 )) 3.700 1.700 1.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 1.926 CV 1 ASSI { 810} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 52 and name HG1 )) 3.500 1.600 1.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 1.773 CV 1 OR { 810} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 52 and name HB2 )) ASSI { 813} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 68 and name HD1%) 2.700 0.900 0.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 0.313 CV 1 ASSI { 814} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 53 and name HE3 )) 3.400 3.400 2.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.138 ppm2 7.010 CV 1 ASSI { 818} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 129 and name HN )) 2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.131 ppm2 8.480 CV 1 ASSI { 819} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 130 and name HN )) 3.600 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.131 ppm2 7.886 CV 1 ASSI { 820} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HN )) 3.700 1.700 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.131 ppm2 7.584 CV 1 ASSI { 823} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HD1 )) 3.100 1.200 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.131 ppm2 2.892 CV 1 ASSI { 824} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 129 and name HB )) 2.700 0.900 0.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.132 ppm2 2.046 CV 1 ASSI { 825} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HB2 )) 2.200 2.200 3.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.131 ppm2 1.760 CV 1 ASSI { 826} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HG2 )) 3.000 1.100 1.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.130 ppm2 1.602 CV 1 ASSI { 837} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HN )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.132 ppm2 8.055 CV 1 ASSI { 841} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 136 and name HA1 )) 3.800 1.800 1.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.132 ppm2 3.640 CV 1 ASSI { 842} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 142 and name HB1 )) 3.300 1.400 1.400 peak 842 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.132 ppm2 2.201 CV 1 ASSI { 846} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 115 and name HB2 )) 3.600 1.600 1.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.124 ppm2 3.647 CV 1 ASSI { 848} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 1 and name HD22)) 3.600 1.600 1.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.120 ppm2 7.609 CV 1 ASSI { 849} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HA )) 2.500 0.800 0.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.039 ppm2 4.625 CV 1 ASSI { 853} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 2 and name HN )) 3.000 1.100 1.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.118 ppm2 7.207 CV 1 ASSI { 855} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 119 and name HB2 )) 2.800 1.000 1.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.118 ppm2 2.936 CV 1 ASSI { 856} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.500 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.115 ppm2 5.263 CV 1 ASSI { 858} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 2 and name HA )) 2.800 1.000 1.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.119 ppm2 4.725 CV 1 ASSI { 860} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.800 1.000 1.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.116 ppm2 9.118 CV 1 ASSI { 862} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.117 ppm2 4.387 CV 1 ASSI { 863} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.700 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.118 ppm2 2.395 CV 1 ASSI { 864} ( segid " " and resid 6 and name HG2%) ( segid " " and resid 6 and name HG1%) 2.900 1.100 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.118 ppm2 1.354 CV 1 ASSI { 865} ( segid " " and resid 6 and name HG2%) ( segid " " and resid 116 and name HG2%) 3.200 3.200 2.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.118 ppm2 0.710 CV 1 ASSI { 877} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 877 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.119 ppm2 9.384 CV 1 ASSI { 878} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 109 and name HN )) 3.100 1.200 1.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.120 ppm2 9.002 CV 1 ASSI { 879} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HN )) 3.600 1.600 1.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.119 ppm2 8.502 CV 1 ASSI { 880} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HA )) 2.700 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.119 ppm2 5.284 CV 1 ASSI { 881} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HB )) 2.800 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.120 ppm2 3.953 CV 1 ASSI { 883} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 108 and name HE2 )) 3.000 1.100 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.119 ppm2 2.923 CV 1 OR { 883} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 108 and name HE1 )) ASSI { 888} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 43 and name HD2 )) 2.200 2.200 3.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.051 ppm2 3.787 CV 1 ASSI { 889} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HN )) 3.100 1.200 1.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.050 ppm2 8.711 CV 1 ASSI { 890} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.051 ppm2 8.308 CV 1 ASSI { 892} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HA )) 2.600 0.900 0.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.050 ppm2 4.924 CV 1 ASSI { 896} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 43 and name HB2 )) 2.200 2.200 3.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.051 ppm2 2.392 CV 1 ASSI { 897} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 61 and name HG2 )) 2.600 0.900 0.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.050 ppm2 2.190 CV 1 ASSI { 898} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HB )) 2.700 0.900 0.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.050 ppm2 1.697 CV 1 ASSI { 901} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 25 and name HN )) 3.600 1.700 1.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 8.634 CV 1 ASSI { 902} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HN )) 3.600 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 8.242 CV 1 ASSI { 904} ( segid " " and resid 24 and name HD1%) ( segid " " and resid 27 and name HD% ) 3.200 1.300 1.300 peak 904 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.041 ppm2 7.117 CV 1 ASSI { 905} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 53 and name HD1 )) 2.900 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 6.715 CV 1 ASSI { 906} ( segid " " and resid 24 and name HD1%) ( segid " " and resid 23 and name HD% ) 2.900 1.000 1.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.041 ppm2 6.195 CV 1 ASSI { 908} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 51 and name HA1 )) 4.700 2.800 1.300 peak 908 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.041 ppm2 4.001 CV 1 ASSI { 909} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 48 and name HE2 )) 3.300 1.400 1.400 peak 909 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 3.023 CV 1 ASSI { 911} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 25 and name HG1 )) 3.800 3.800 2.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 2.229 CV 1 ASSI { 912} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HB2 )) 2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 1.962 CV 1 ASSI { 913} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HG )) 2.500 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 1.665 CV 1 ASSI { 914} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 24 and name HB1 )) 3.300 1.300 1.300 peak 914 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 1.491 CV 1 ASSI { 915} ( segid " " and resid 24 and name HD1%) ( segid " " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 915 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 0.597 CV 1 ASSI { 916} ( segid " " and resid 24 and name HD1%) ( segid " " and resid 68 and name HD1%) 2.400 0.700 0.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 0.315 CV 1 ASSI { 917} ( segid " " and resid 24 and name HD1%) ( segid " " and resid 79 and name HG2%) 3.200 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 -0.124 CV 1 ASSI { 918} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 23 and name HA )) 3.300 3.300 2.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.039 ppm2 4.299 CV 1 ASSI { 919} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 25 and name HG2 )) 3.600 1.700 1.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.039 ppm2 2.510 CV 1 OR { 919} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 25 and name HB2 )) ASSI { 920} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 111 and name HN )) 3.100 1.200 1.200 peak 920 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.018 ppm2 9.379 CV 1 ASSI { 921} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 141 and name HB2 )) 3.800 1.800 1.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.018 ppm2 1.488 CV 1 ASSI { 922} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 111 and name HN )) 3.500 1.500 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.012 ppm2 9.383 CV 1 ASSI { 923} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HN )) 2.900 1.100 1.100 peak 923 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.011 ppm2 8.892 CV 1 ASSI { 924} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 11 and name HN )) 3.300 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.012 ppm2 8.479 CV 1 ASSI { 925} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 9 and name HA )) 3.300 1.300 1.300 peak 925 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.012 ppm2 5.925 CV 1 ASSI { 926} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HB )) 2.600 0.800 0.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.012 ppm2 2.170 CV 1 ASSI { 927} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 145 and name HE22)) 2.800 1.000 1.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.014 ppm2 6.930 CV 1 ASSI { 928} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 8 and name HE1 )) 3.400 1.400 1.400 peak 928 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.014 ppm2 6.704 CV 1 ASSI { 929} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 34 and name HD21)) 3.000 3.000 3.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.017 ppm2 7.542 CV 1 ASSI { 931} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 40 and name HA )) 3.100 1.200 1.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.018 ppm2 3.530 CV 1 ASSI { 932} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 34 and name HB2 )) 3.400 1.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.018 ppm2 2.933 CV 1 ASSI { 933} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 34 and name HB1 )) 3.200 1.200 1.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.017 ppm2 2.749 CV 1 ASSI { 934} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 40 and name HB )) 2.700 0.900 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.018 ppm2 1.950 CV 1 ASSI { 935} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 39 and name HD1 )) 2.900 1.100 1.100 peak 935 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.017 ppm2 1.670 CV 1 ASSI { 938} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.994 ppm2 8.889 CV 1 ASSI { 939} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 11 and name HN )) 2.900 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.994 ppm2 8.490 CV 1 ASSI { 940} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 145 and name HE21)) 2.900 1.100 1.100 peak 940 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.994 ppm2 7.589 CV 1 ASSI { 942} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 8 and name HE1 )) 3.300 3.300 2.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.994 ppm2 6.735 CV 1 ASSI { 943} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 9 and name HA )) 3.700 1.700 1.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.994 ppm2 5.922 CV 1 ASSI { 945} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 110 and name HD1 )) 3.300 1.300 1.300 peak 945 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.994 ppm2 3.324 CV 1 ASSI { 947} ( segid " " and resid 10 and name HG1%) ( segid " " and resid 19 and name HB% ) 3.100 1.200 1.200 peak 947 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.981 ppm2 1.579 CV 1 ASSI { 950} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.874 ppm2 8.200 CV 1 ASSI { 952} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 952 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.932 ppm2 7.560 CV 1 ASSI { 953} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 98 and name HA )) 2.600 0.800 0.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.933 ppm2 5.148 CV 1 ASSI { 954} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 70 and name HE2 )) 3.000 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.931 ppm2 2.916 CV 1 ASSI { 955} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 69 and name HB1 )) 2.200 2.200 3.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.931 ppm2 1.374 CV 1 ASSI { 959} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 13 and name HA )) 3.200 1.300 1.300 peak 959 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.916 ppm2 4.694 CV 1 ASSI { 961} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.915 ppm2 4.002 CV 1 ASSI { 962} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 145 and name HG2 )) 3.100 3.100 2.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.915 ppm2 2.302 CV 1 ASSI { 964} ( segid " " and resid 12 and name HG1%) ( segid " " and resid 148 and name HD1%) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.915 ppm2 0.393 CV 1 ASSI { 965} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 12 and name HN )) 3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.916 ppm2 9.383 CV 1 ASSI { 968} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.916 ppm2 5.091 CV 1 ASSI { 969} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 109 and name HB )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.915 ppm2 3.664 CV 1 ASSI { 970} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 12 and name HB )) 2.600 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.916 ppm2 1.996 CV 1 ASSI { 971} ( segid " " and resid 12 and name HG1%) ( segid " " and resid 14 and name HB% ) 3.400 1.400 1.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.916 ppm2 1.290 CV 1 ASSI { 972} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 62 and name HN )) 3.900 1.900 1.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.923 ppm2 8.308 CV 1 ASSI { 974} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HN )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.934 ppm2 8.724 CV 1 ASSI { 976} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 128 and name HA )) 3.200 1.300 1.300 peak 976 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.933 ppm2 4.013 CV 1 ASSI { 978} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 128 and name HD2 )) 3.700 1.700 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.937 ppm2 3.038 CV 1 ASSI { 979} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 131 and name HB2 )) 2.900 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.936 ppm2 2.822 CV 1 ASSI { 981} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HB )) 2.700 0.900 0.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.935 ppm2 1.690 CV 1 OR { 981} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HG12)) ASSI { 983} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HN )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 8.798 CV 1 ASSI { 984} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 44 and name HN )) 2.200 2.200 3.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.908 ppm2 7.676 CV 1 ASSI { 985} ( segid " " and resid 56 and name HD1%) ( segid " " and resid 54 and name HD% ) 3.000 1.100 1.100 peak 985 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 6.440 CV 1 ASSI { 986} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 44 and name HA )) 2.200 2.200 3.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 5.280 CV 1 ASSI { 987} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 4.922 CV 1 ASSI { 990} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 43 and name HB2 )) 2.200 2.200 3.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 2.386 CV 1 ASSI { 991} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 61 and name HG2 )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 2.182 CV 1 ASSI { 992} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 61 and name HB1 )) 3.300 1.300 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 1.898 CV 1 OR { 992} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 61 and name HB2 )) ASSI { 993} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HB )) 3.500 1.500 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.908 ppm2 1.703 CV 1 ASSI { 997} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 37 and name HN )) 3.000 1.100 1.100 peak 997 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.911 ppm2 11.222 CV 1 ASSI { 999} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 101 and name HD% ) 3.400 1.400 1.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 7.106 CV 1 ASSI { 1005} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 40 and name HA )) 2.900 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.876 ppm2 3.553 CV 1 ASSI { 1008} (( segid " " and resid 77 and name HG )) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 8.557 CV 1 ASSI { 1009} (( segid " " and resid 77 and name HG )) (( segid " " and resid 76 and name HN )) 2.700 2.700 3.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 8.254 CV 1 ASSI { 1015} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 5.150 CV 1 ASSI { 1018} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 30 and name HB2 )) 3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 3.598 CV 1 ASSI { 1019} (( segid " " and resid 77 and name HG )) (( segid " " and resid 20 and name HA )) 3.500 3.500 2.500 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 3.179 CV 1 ASSI { 1020} (( segid " " and resid 77 and name HG )) (( segid " " and resid 20 and name HB2 )) 3.200 3.200 2.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.897 ppm2 3.009 CV 1 ASSI { 1024} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HB2 )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 1.938 CV 1 ASSI { 1026} (( segid " " and resid 77 and name HG )) (( segid " " and resid 70 and name HG2 )) 3.100 3.100 2.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 1.366 CV 1 ASSI { 1027} (( segid " " and resid 77 and name HG )) ( segid " " and resid 24 and name HD2%) 3.300 1.400 1.400 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 1.152 CV 1 ASSI { 1028} (( segid " " and resid 77 and name HG )) ( segid " " and resid 68 and name HG2%) 3.000 3.000 3.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 0.622 CV 1 ASSI { 1029} (( segid " " and resid 77 and name HG )) ( segid " " and resid 79 and name HG2%) 3.400 3.400 2.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 -0.112 CV 1 ASSI { 1030} (( segid " " and resid 77 and name HG )) ( segid " " and resid 99 and name HG1%) 3.700 1.700 1.700 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.895 ppm2 -0.352 CV 1 ASSI { 1033} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 83 and name HD1%) 3.000 1.100 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 0.437 CV 1 ASSI { 1034} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 83 and name HD2%) 3.300 3.300 2.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 0.298 CV 1 ASSI { 1035} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 8 and name HA )) 3.400 3.400 2.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.907 ppm2 4.727 CV 1 ASSI { 1037} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 71 and name HN )) 3.300 1.300 1.300 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.902 ppm2 8.731 CV 1 ASSI { 1040} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 71 and name HB )) 2.700 0.900 0.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.903 ppm2 2.171 CV 1 ASSI { 1041} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 71 and name HG2%) 2.900 1.000 1.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.903 ppm2 1.168 CV 1 ASSI { 1042} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 68 and name HG2%) 3.200 1.300 1.300 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.904 ppm2 0.626 CV 1 ASSI { 1043} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 70 and name HN )) 3.800 3.800 2.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.898 ppm2 7.571 CV 1 ASSI { 1044} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HB1 )) 3.500 1.500 1.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.901 ppm2 2.459 CV 1 ASSI { 1048} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 8 and name HE1 )) 2.700 0.900 0.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.887 ppm2 6.703 CV 1 ASSI { 1050} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 111 and name HG1%) 2.700 0.900 0.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.888 ppm2 -0.042 CV 1 ASSI { 1051} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 99 and name HG1%) 2.700 2.700 3.300 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.885 ppm2 -0.344 CV 1 ASSI { 1058} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 145 and name HN )) 3.700 1.700 1.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.874 ppm2 8.445 CV 1 ASSI { 1059} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 33 and name HD22)) 3.000 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.877 ppm2 7.115 CV 1 ASSI { 1060} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 145 and name HE22)) 3.900 1.900 1.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.875 ppm2 6.923 CV 1 ASSI { 1061} ( segid " " and resid 141 and name HD2%) ( segid " " and resid 23 and name HD% ) 2.800 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.877 ppm2 6.185 CV 1 ASSI { 1064} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 23 and name HA )) 3.200 3.200 2.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.875 ppm2 4.317 CV 1 ASSI { 1065} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 141 and name HA )) 2.500 0.800 0.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.875 ppm2 4.177 CV 1 ASSI { 1069} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 141 and name HG )) 2.600 0.800 0.800 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.875 ppm2 2.240 CV 1 ASSI { 1070} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 141 and name HB2 )) 3.400 1.400 1.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.875 ppm2 1.516 CV 1 ASSI { 1075} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 145 and name HE21)) 3.400 1.500 1.500 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.874 ppm2 7.527 CV 1 ASSI { 1078} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 39 and name HE2 )) 2.200 2.200 3.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.872 ppm2 2.961 CV 1 ASSI { 1079} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 144 and name HB2 )) 3.400 1.500 1.500 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.872 ppm2 2.783 CV 1 ASSI { 1081} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 39 and name HD1 )) 2.900 2.900 3.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.873 ppm2 1.690 CV 1 ASSI { 1082} ( segid " " and resid 141 and name HD2%) ( segid " " and resid 113 and name HG2%) 2.200 2.200 3.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.876 ppm2 0.214 CV 1 ASSI { 1085} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 95 and name HB1 )) 3.300 3.300 2.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.848 ppm2 4.292 CV 1 ASSI { 1087} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 82 and name HB2 )) 2.700 0.900 0.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.848 ppm2 2.781 CV 1 ASSI { 1089} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.848 ppm2 1.474 CV 1 OR { 1089} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HB2 )) ASSI { 1090} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HG )) 2.500 0.800 0.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.818 ppm2 0.291 CV 1 ASSI { 1115} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 101 and name HB2 )) 3.100 3.100 2.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 3.937 CV 1 ASSI { 1117} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 68 and name HD1%) 3.500 3.500 2.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.862 ppm2 0.281 CV 1 ASSI { 1119} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 101 and name HN )) 3.200 3.200 2.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 8.748 CV 1 ASSI { 1120} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 8.556 CV 1 ASSI { 1121} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 76 and name HN )) 2.800 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 8.245 CV 1 ASSI { 1123} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 97 and name HD% ) 3.500 3.500 2.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 7.116 CV 1 ASSI { 1124} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 8 and name HE1 )) 3.300 3.300 2.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 6.695 CV 1 ASSI { 1127} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 5.150 CV 1 ASSI { 1129} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 71 and name HA )) 3.400 3.400 2.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 4.356 CV 1 ASSI { 1130} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 23 and name HB1 )) 2.900 1.100 1.100 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 3.302 CV 1 ASSI { 1131} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 20 and name HA )) 2.900 1.100 1.100 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 3.158 CV 1 ASSI { 1132} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 20 and name HB2 )) 2.700 0.900 0.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 3.003 CV 1 ASSI { 1134} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 72 and name HB1 )) 2.200 2.200 3.800 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 2.424 CV 1 ASSI { 1136} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 111 and name HB )) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 2.014 CV 1 ASSI { 1138} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 77 and name HD2%) 2.800 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 1.533 CV 1 OR { 1138} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB1 )) ASSI { 1140} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 24 and name HD2%) 3.800 1.800 1.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 1.129 CV 1 ASSI { 1141} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 79 and name HG2%) 3.300 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.860 ppm2 -0.121 CV 1 ASSI { 1142} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 99 and name HG1%) 2.600 0.900 0.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.861 ppm2 -0.356 CV 1 ASSI { 1144} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HG )) 2.700 0.900 0.900 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.831 ppm2 1.256 CV 1 ASSI { 1145} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 80 and name HN )) 3.300 1.300 1.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.830 ppm2 9.914 CV 1 ASSI { 1146} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HN )) 2.700 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.830 ppm2 9.076 CV 1 ASSI { 1148} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 94 and name HN )) 2.900 2.900 3.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.827 ppm2 7.978 CV 1 ASSI { 1149} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 66 and name HN )) 3.600 1.700 1.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.828 ppm2 7.627 CV 1 ASSI { 1150} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 81 and name HB1 )) 3.000 3.000 3.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.829 ppm2 4.071 CV 1 ASSI { 1152} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 69 and name HD1 )) 3.400 3.400 2.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.829 ppm2 3.005 CV 1 ASSI { 1154} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.824 ppm2 8.840 CV 1 ASSI { 1156} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 54 and name HA )) 3.600 1.600 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.825 ppm2 5.572 CV 1 ASSI { 1158} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 68 and name HA )) 3.500 3.500 2.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.825 ppm2 3.647 CV 1 ASSI { 1160} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 81 and name HE3 )) 3.300 3.300 2.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.820 ppm2 6.840 CV 1 ASSI { 1162} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 81 and name HA )) 2.900 1.100 1.100 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.822 ppm2 5.696 CV 1 ASSI { 1164} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 55 and name HG2 )) 4.000 2.000 2.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.821 ppm2 2.216 CV 1 ASSI { 1165} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 96 and name HA )) 3.800 3.800 2.200 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.812 ppm2 5.404 CV 1 ASSI { 1166} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 69 and name HD1 )) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 3.006 CV 1 ASSI { 1167} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 69 and name HG2 )) 3.400 1.400 1.400 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 1.792 CV 1 ASSI { 1168} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 68 and name HN )) 3.700 1.700 1.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.810 ppm2 8.420 CV 1 ASSI { 1172} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 79 and name HA )) 3.600 3.600 2.400 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 4.466 CV 1 ASSI { 1173} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 94 and name HB2 )) 3.200 3.200 2.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 3.759 CV 1 ASSI { 1175} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 82 and name HB2 )) 3.100 3.100 2.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.810 ppm2 2.756 CV 1 ASSI { 1176} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 93 and name HB1 )) 3.200 3.200 2.800 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.810 ppm2 2.562 CV 1 ASSI { 1178} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 1.458 CV 1 OR { 1178} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HB1 )) ASSI { 1179} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HG )) 2.700 0.900 0.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 1.273 CV 1 ASSI { 1185} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HN )) 2.700 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 9.681 CV 1 ASSI { 1186} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 100 and name HN )) 3.500 1.500 1.500 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 8.895 CV 1 ASSI { 1188} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 97 and name HD% ) 2.800 1.000 1.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 7.136 CV 1 ASSI { 1189} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 23 and name HD% ) 3.200 1.300 1.300 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 6.197 CV 1 ASSI { 1190} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 97 and name HA )) 3.500 3.500 2.500 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.795 ppm2 5.963 CV 1 ASSI { 1192} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 113 and name HG2%) 2.700 0.900 0.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 0.182 CV 1 ASSI { 1193} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 111 and name HG1%) 3.300 1.400 1.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.797 ppm2 -0.072 CV 1 ASSI { 1194} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 99 and name HG1%) 2.800 1.000 1.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 -0.371 CV 1 ASSI { 1195} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 9 and name HN )) 3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.756 ppm2 8.359 CV 1 ASSI { 1197} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 8 and name HE1 )) 3.300 1.300 1.300 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.756 ppm2 6.665 CV 1 ASSI { 1199} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.756 ppm2 4.711 CV 1 ASSI { 1201} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 138 and name HB1 )) 2.200 2.200 3.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.756 ppm2 1.229 CV 1 ASSI { 1202} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 142 and name HN )) 3.700 1.800 1.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.756 ppm2 8.045 CV 1 ASSI { 1205} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 137 and name HB1 )) 2.200 2.200 3.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.755 ppm2 2.809 CV 1 ASSI { 1206} ( segid " " and resid 141 and name HD1%) (( segid " " and resid 141 and name HB2 )) 2.800 1.000 1.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.755 ppm2 1.512 CV 1 ASSI { 1207} ( segid " " and resid 141 and name HD1%) ( segid " " and resid 113 and name HG2%) 2.200 2.200 3.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.756 ppm2 0.178 CV 1 ASSI { 1208} ( segid " " and resid 141 and name HD1%) ( segid " " and resid 113 and name HG1%) 2.200 2.200 3.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.755 ppm2 -0.537 CV 1 ASSI { 1209} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HN )) 2.800 1.000 1.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.750 ppm2 9.382 CV 1 ASSI { 1210} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HN )) 3.100 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.748 ppm2 9.113 CV 1 ASSI { 1212} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 148 and name HN )) 3.800 1.800 1.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 7.629 CV 1 ASSI { 1215} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HA )) 2.600 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 5.079 CV 1 ASSI { 1216} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 16 and name HA )) 3.700 1.700 1.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 4.083 CV 1 ASSI { 1217} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 145 and name HA )) 2.900 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 3.358 CV 1 ASSI { 1218} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 145 and name HG1 )) 3.300 1.300 1.300 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 2.358 CV 1 OR { 1218} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 145 and name HB2 )) ASSI { 1219} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HB )) 2.600 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 1.992 CV 1 ASSI { 1220} ( segid " " and resid 12 and name HG2%) ( segid " " and resid 10 and name HG1%) 2.800 0.900 0.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.747 ppm2 0.963 CV 1 ASSI { 1222} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 108 and name HG2 )) 3.600 3.600 2.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.750 ppm2 1.365 CV 1 ASSI { 1224} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HD1 )) 3.300 1.400 1.400 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.748 ppm2 1.715 CV 1 ASSI { 1225} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 81 and name HE1 )) 3.300 3.300 2.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.743 ppm2 9.008 CV 1 ASSI { 1226} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HN )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.743 ppm2 8.708 CV 1 ASSI { 1228} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 91 and name HD1 )) 2.700 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.743 ppm2 4.268 CV 1 ASSI { 1229} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 91 and name HD2 )) 3.500 1.600 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.743 ppm2 3.838 CV 1 ASSI { 1230} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.743 ppm2 3.583 CV 1 ASSI { 1231} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 90 and name HB2 )) 3.500 1.500 1.500 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.742 ppm2 3.314 CV 1 ASSI { 1232} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 128 and name HD2 )) 3.300 1.400 1.400 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.742 ppm2 3.024 CV 1 ASSI { 1233} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 131 and name HB2 )) 3.600 3.600 2.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.742 ppm2 2.771 CV 1 OR { 1233} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 131 and name HB1 )) ASSI { 1235} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 91 and name HG2 )) 3.700 1.700 1.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.742 ppm2 2.289 CV 1 ASSI { 1236} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HG12)) 2.800 1.000 1.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.742 ppm2 1.694 CV 1 OR { 1236} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HB )) ASSI { 1240} ( segid " " and resid 89 and name HD1%) ( segid " " and resid 83 and name HD2%) 3.100 1.200 1.200 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.741 ppm2 0.294 CV 1 ASSI { 1242} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 31 and name HN )) 4.400 2.400 1.600 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.675 ppm2 7.465 CV 1 ASSI { 1246} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 63 and name HB2 )) 3.300 3.300 2.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.671 ppm2 3.035 CV 1 ASSI { 1249} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 139 and name HN )) 3.900 1.900 1.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.679 ppm2 6.953 CV 1 ASSI { 1250} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 97 and name HN )) 3.000 1.100 1.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.703 ppm2 9.043 CV 1 ASSI { 1252} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 70 and name HN )) 3.100 1.200 1.200 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.703 ppm2 7.559 CV 1 ASSI { 1253} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 98 and name HA )) 3.000 1.100 1.100 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.703 ppm2 5.151 CV 1 ASSI { 1255} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 69 and name HD1 )) 3.000 1.100 1.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.703 ppm2 2.961 CV 1 OR { 1255} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 69 and name HD2 )) ASSI { 1257} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 69 and name HB1 )) 3.500 1.500 1.500 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.703 ppm2 1.311 CV 1 ASSI { 1258} ( segid " " and resid 78 and name HG1%) ( segid " " and resid 98 and name HG2%) 3.500 1.500 1.500 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.703 ppm2 1.172 CV 1 ASSI { 1259} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.679 ppm2 3.533 CV 1 ASSI { 1263} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 57 and name HA )) 2.700 0.900 0.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.665 ppm2 5.010 CV 1 ASSI { 1264} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 42 and name HB% ) 3.000 1.100 1.100 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.667 ppm2 1.558 CV 1 ASSI { 1265} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.664 ppm2 9.392 CV 1 ASSI { 1266} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.900 1.100 1.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.664 ppm2 4.415 CV 1 ASSI { 1267} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.700 0.900 0.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.664 ppm2 4.055 CV 1 ASSI { 1269} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 57 and name HB1 )) 3.200 1.300 1.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.664 ppm2 2.621 CV 1 ASSI { 1271} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 145 and name HA )) 3.300 1.400 1.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.669 ppm2 3.360 CV 1 ASSI { 1272} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 13 and name HN )) 2.500 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 9.122 CV 1 ASSI { 1274} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 148 and name HN )) 3.500 1.500 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 7.677 CV 1 ASSI { 1275} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 12 and name HA )) 3.100 1.200 1.200 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 5.082 CV 1 ASSI { 1278} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 152 and name HA1 )) 3.400 3.400 2.600 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 4.065 CV 1 ASSI { 1280} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 13 and name HE2 )) 3.300 1.400 1.400 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 2.985 CV 1 OR { 1280} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 13 and name HE1 )) ASSI { 1281} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 149 and name HB2 )) 3.100 3.100 2.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 2.777 CV 1 ASSI { 1282} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 12 and name HB )) 3.200 1.300 1.300 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 1.999 CV 1 ASSI { 1285} ( segid " " and resid 148 and name HG2%) ( segid " " and resid 12 and name HG1%) 2.500 0.800 0.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 0.908 CV 1 ASSI { 1286} ( segid " " and resid 148 and name HG2%) ( segid " " and resid 148 and name HD1%) 2.500 0.800 0.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.668 ppm2 0.384 CV 1 ASSI { 1288} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 140 and name HA )) 2.600 0.900 0.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.659 ppm2 3.034 CV 1 ASSI { 1289} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 140 and name HB )) 2.500 0.800 0.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.659 ppm2 1.786 CV 1 ASSI { 1304} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 3.000 1.100 1.100 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.599 ppm2 8.725 CV 1 ASSI { 1306} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 2.500 0.800 0.800 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.599 ppm2 3.627 CV 1 ASSI { 1307} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HB )) 3.200 1.300 1.300 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.598 ppm2 2.178 CV 1 ASSI { 1308} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.599 ppm2 1.476 CV 1 ASSI { 1309} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 24 and name HD2%) 3.200 1.300 1.300 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.599 ppm2 1.114 CV 1 ASSI { 1311} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 68 and name HD1%) 2.400 0.700 0.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.599 ppm2 0.321 CV 1 OR { 1311} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HG12)) ASSI { 1312} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 79 and name HG2%) 2.900 1.000 1.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.598 ppm2 -0.113 CV 1 ASSI { 1313} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 3.500 1.500 1.500 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.598 ppm2 8.449 CV 1 ASSI { 1314} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.598 ppm2 4.454 CV 1 ASSI { 1315} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 51 and name HA1 )) 3.300 1.400 1.400 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.598 ppm2 3.977 CV 1 ASSI { 1316} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 131 and name HD21)) 3.200 3.200 2.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.426 ppm2 6.851 CV 1 ASSI { 1320} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 84 and name HB1 )) 3.300 1.300 1.300 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.423 ppm2 2.470 CV 1 ASSI { 1321} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.424 ppm2 1.253 CV 1 ASSI { 1324} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 84 and name HN )) 2.600 0.900 0.900 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.423 ppm2 8.938 CV 1 ASSI { 1326} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HN )) 3.500 1.500 1.500 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.425 ppm2 5.736 CV 1 ASSI { 1328} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HA )) 3.000 1.200 1.200 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.423 ppm2 4.463 CV 1 ASSI { 1331} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 131 and name HB1 )) 3.300 3.300 2.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.423 ppm2 2.763 CV 1 OR { 1331} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 131 and name HB2 )) ASSI { 1333} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 133 and name HB2 )) 3.200 3.200 2.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.424 ppm2 1.972 CV 1 ASSI { 1334} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 88 and name HG2 )) 3.100 1.200 1.200 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.424 ppm2 1.568 CV 1 OR { 1334} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 88 and name HG1 )) ASSI { 1336} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 19 and name HN )) 3.200 1.300 1.300 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 8.909 CV 1 ASSI { 1337} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 146 and name HN )) 2.200 2.200 3.800 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.375 ppm2 8.660 CV 1 ASSI { 1338} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 148 and name HN )) 3.300 1.400 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 7.641 CV 1 ASSI { 1341} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 12 and name HA )) 3.200 1.300 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 5.074 CV 1 ASSI { 1343} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 22 and name HB )) 2.400 0.700 0.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 4.405 CV 1 ASSI { 1344} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 19 and name HA )) 2.400 0.700 0.700 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 4.025 CV 1 ASSI { 1345} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 148 and name HA )) 3.500 1.500 1.500 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.373 ppm2 3.633 CV 1 ASSI { 1346} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 145 and name HA )) 2.600 0.800 0.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 3.357 CV 1 ASSI { 1349} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 151 and name HG2 )) 2.200 2.200 3.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 2.309 CV 1 ASSI { 1350} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 148 and name HB )) 2.600 0.800 0.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 1.722 CV 1 ASSI { 1351} ( segid " " and resid 148 and name HD1%) ( segid " " and resid 22 and name HG2%) 3.100 1.200 1.200 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 1.306 CV 1 ASSI { 1352} ( segid " " and resid 148 and name HD1%) ( segid " " and resid 141 and name HD2%) 2.200 2.200 3.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.375 ppm2 0.880 CV 1 ASSI { 1353} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 13 and name HN )) 2.200 2.200 3.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.371 ppm2 9.099 CV 1 ASSI { 1355} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 12 and name HB )) 3.300 1.400 1.400 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.373 ppm2 1.994 CV 1 ASSI { 1356} ( segid " " and resid 148 and name HD1%) ( segid " " and resid 19 and name HB% ) 3.400 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.373 ppm2 1.590 CV 1 ASSI { 1358} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 71 and name HN )) 3.600 3.600 2.400 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 8.686 CV 1 ASSI { 1359} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HN )) 3.500 1.600 1.600 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 8.427 CV 1 ASSI { 1360} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 70 and name HN )) 4.500 2.500 1.500 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 7.566 CV 1 ASSI { 1362} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 53 and name HD1 )) 2.500 0.800 0.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 6.720 CV 1 ASSI { 1363} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 5.349 CV 1 ASSI { 1364} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 67 and name HA )) 4.000 2.000 2.000 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 4.890 CV 1 ASSI { 1366} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 79 and name HA )) 4.300 2.300 1.700 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 4.497 CV 1 ASSI { 1368} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 51 and name HA1 )) 3.300 3.300 2.700 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 3.974 CV 1 ASSI { 1369} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 51 and name HA2 )) 2.300 2.300 3.700 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 3.791 CV 1 ASSI { 1370} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 48 and name HE2 )) 2.200 2.200 3.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 3.033 CV 1 ASSI { 1371} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 47 and name HB1 )) 2.200 2.200 3.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 2.813 CV 1 ASSI { 1373} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 53 and name HB2 )) 2.200 2.200 3.800 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 1.895 CV 1 ASSI { 1374} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HB )) 2.600 0.900 0.900 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 1.478 CV 1 ASSI { 1376} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HG11)) 2.300 0.700 0.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 0.887 CV 1 ASSI { 1377} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 68 and name HG2%) 2.400 0.700 0.700 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 0.592 CV 1 ASSI { 1378} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 79 and name HG2%) 3.500 1.500 1.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.308 ppm2 -0.131 CV 1 ASSI { 1379} (( segid " " and resid 44 and name HG )) ( segid " " and resid 27 and name HD% ) 3.700 1.700 1.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.285 ppm2 7.130 CV 1 ASSI { 1383} (( segid " " and resid 44 and name HG )) (( segid " " and resid 28 and name HD1 )) 3.500 3.500 2.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.285 ppm2 3.341 CV 1 ASSI { 1386} (( segid " " and resid 44 and name HG )) (( segid " " and resid 54 and name HA )) 3.100 3.100 2.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.282 ppm2 5.624 CV 1 ASSI { 1388} (( segid " " and resid 44 and name HG )) (( segid " " and resid 55 and name HG1 )) 3.500 3.500 2.500 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.283 ppm2 2.094 CV 1 ASSI { 1389} (( segid " " and resid 44 and name HG )) (( segid " " and resid 44 and name HB1 )) 2.600 0.800 0.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.283 ppm2 1.086 CV 1 OR { 1389} (( segid " " and resid 44 and name HG )) (( segid " " and resid 44 and name HB2 )) ASSI { 1390} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.289 ppm2 8.950 CV 1 ASSI { 1391} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 89 and name HN )) 2.900 1.100 1.100 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 8.708 CV 1 ASSI { 1392} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 87 and name HN )) 3.500 3.500 2.500 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 7.980 CV 1 ASSI { 1395} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 131 and name HD21)) 3.000 3.000 3.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.291 ppm2 6.880 CV 1 ASSI { 1396} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HN )) 3.300 1.400 1.400 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 5.738 CV 1 ASSI { 1397} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 133 and name HA )) 3.200 3.200 2.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 4.744 CV 1 ASSI { 1398} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HA )) 2.800 2.800 3.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.289 ppm2 4.452 CV 1 ASSI { 1400} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 89 and name HA )) 2.900 2.900 3.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.283 ppm2 3.583 CV 1 ASSI { 1401} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 3.299 CV 1 ASSI { 1403} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 131 and name HB1 )) 3.200 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 2.790 CV 1 OR { 1403} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 131 and name HB2 )) ASSI { 1404} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 84 and name HB1 )) 3.400 3.400 2.600 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 2.464 CV 1 ASSI { 1406} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 88 and name HB1 )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.289 ppm2 1.640 CV 1 ASSI { 1407} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HB2 )) 2.900 1.000 1.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.280 ppm2 1.250 CV 1 ASSI { 1408} ( segid " " and resid 83 and name HD2%) ( segid " " and resid 89 and name HG2%) 3.200 1.300 1.300 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.280 ppm2 0.918 CV 1 ASSI { 1409} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HG )) 2.700 0.900 0.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.286 ppm2 0.759 CV 1 ASSI { 1410} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 112 and name HB2 )) 2.200 2.200 3.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.181 ppm2 2.505 CV 1 ASSI { 1412} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 114 and name HN )) 3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 8.634 CV 1 ASSI { 1414} ( segid " " and resid 113 and name HG2%) ( segid " " and resid 97 and name HD% ) 2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 7.133 CV 1 ASSI { 1418} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 112 and name HA )) 2.200 2.200 3.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 5.054 CV 1 ASSI { 1419} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.179 ppm2 4.751 CV 1 ASSI { 1420} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HA )) 2.600 0.800 0.800 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 4.542 CV 1 ASSI { 1422} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 8 and name HB1 )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 2.211 CV 1 ASSI { 1423} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 114 and name HB1 )) 3.700 3.700 2.300 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 1.983 CV 1 ASSI { 1424} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 99 and name HB )) 3.200 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 1.692 CV 1 ASSI { 1425} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 7 and name HG1 )) 3.700 1.700 1.700 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.179 ppm2 1.543 CV 1 ASSI { 1426} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HB )) 2.400 0.700 0.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 1.219 CV 1 ASSI { 1428} ( segid " " and resid 113 and name HG2%) ( segid " " and resid 99 and name HG1%) 2.900 1.100 1.100 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.183 ppm2 -0.357 CV 1 ASSI { 1429} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 80 and name HN )) 2.900 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.168 ppm2 9.937 CV 1 ASSI { 1430} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.167 ppm2 9.075 CV 1 ASSI { 1431} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 79 and name HN )) 3.400 1.400 1.400 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.167 ppm2 8.723 CV 1 ASSI { 1434} ( segid " " and resid 79 and name HD1%) ( segid " " and resid 97 and name HD% ) 3.400 1.500 1.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.166 ppm2 7.152 CV 1 ASSI { 1435} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 81 and name HE3 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.166 ppm2 6.817 CV 1 ASSI { 1436} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 66 and name HA2 )) 3.100 1.200 1.200 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.166 ppm2 5.473 CV 1 ASSI { 1438} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.167 ppm2 4.501 CV 1 ASSI { 1439} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 68 and name HA )) 3.600 1.600 1.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.168 ppm2 3.622 CV 1 ASSI { 1440} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 66 and name HA1 )) 2.700 0.900 0.900 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.165 ppm2 3.099 CV 1 ASSI { 1443} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 79 and name HG12)) 2.600 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.167 ppm2 0.842 CV 1 ASSI { 1444} ( segid " " and resid 79 and name HD1%) ( segid " " and resid 68 and name HG2%) 2.200 2.200 3.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.166 ppm2 0.623 CV 1 ASSI { 1445} ( segid " " and resid 79 and name HD1%) ( segid " " and resid 79 and name HG2%) 2.700 0.900 0.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.167 ppm2 -0.092 CV 1 ASSI { 1446} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 111 and name HN )) 2.500 0.800 0.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 9.385 CV 1 ASSI { 1447} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 8.890 CV 1 ASSI { 1448} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 112 and name HN )) 3.500 1.500 1.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 8.644 CV 1 ASSI { 1451} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 101 and name HA )) 3.500 1.500 1.500 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 5.012 CV 1 ASSI { 1453} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 4.286 CV 1 ASSI { 1455} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 113 and name HB )) 3.200 3.200 2.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 1.251 CV 1 ASSI { 1458} ( segid " " and resid 111 and name HG1%) ( segid " " and resid 99 and name HG1%) 3.300 1.400 1.400 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 -0.351 CV 1 ASSI { 1459} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 8 and name HE1 )) 2.800 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 6.699 CV 1 ASSI { 1460} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 9 and name HA )) 3.400 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 5.920 CV 1 ASSI { 1462} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 7 and name HG2 )) 3.300 3.300 2.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 1.574 CV 1 ASSI { 1463} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 80 and name HN )) 3.500 1.500 1.500 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.127 ppm2 9.938 CV 1 ASSI { 1464} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 97 and name HN )) 3.200 1.300 1.300 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.125 ppm2 9.027 CV 1 ASSI { 1465} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 79 and name HN )) 2.500 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.125 ppm2 8.729 CV 1 ASSI { 1466} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 97 and name HZ )) 3.200 1.300 1.300 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 7.597 CV 1 ASSI { 1467} ( segid " " and resid 79 and name HG2%) ( segid " " and resid 97 and name HD% ) 2.900 1.000 1.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 7.142 CV 1 ASSI { 1468} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 81 and name HE3 )) 3.800 3.800 2.200 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 6.799 CV 1 ASSI { 1469} ( segid " " and resid 79 and name HG2%) ( segid " " and resid 23 and name HD% ) 2.200 2.200 3.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 6.188 CV 1 ASSI { 1472} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 66 and name HA1 )) 3.500 3.500 2.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 3.110 CV 1 ASSI { 1473} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 77 and name HB1 )) 2.600 0.800 0.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 1.563 CV 1 OR { 1473} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 77 and name HB2 )) ASSI { 1474} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 79 and name HG12)) 2.900 1.100 1.100 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.126 ppm2 0.865 CV 1 ASSI { 1481} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HN )) 3.200 1.300 1.300 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 9.674 CV 1 ASSI { 1482} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 100 and name HN )) 3.100 1.200 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 8.898 CV 1 ASSI { 1483} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 112 and name HN )) 3.700 1.700 1.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 8.648 CV 1 ASSI { 1485} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 97 and name HD% ) 3.300 3.300 2.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 7.128 CV 1 ASSI { 1486} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 8 and name HE1 )) 2.800 1.000 1.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 6.695 CV 1 ASSI { 1488} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 5.904 CV 1 ASSI { 1489} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 112 and name HA )) 3.600 3.600 2.400 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 5.080 CV 1 ASSI { 1490} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 4.765 CV 1 ASSI { 1491} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 113 and name HA )) 3.500 1.500 1.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 4.542 CV 1 ASSI { 1492} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 111 and name HA )) 3.700 1.700 1.700 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 4.285 CV 1 ASSI { 1493} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 100 and name HB )) 3.600 1.600 1.600 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 3.959 CV 1 ASSI { 1494} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 20 and name HA )) 3.400 3.400 2.600 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 3.175 CV 1 ASSI { 1496} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 111 and name HB )) 3.100 1.200 1.200 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 1.985 CV 1 ASSI { 1503} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 137 and name HN )) 3.100 1.200 1.200 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 9.015 CV 1 ASSI { 1504} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HN )) 3.500 1.500 1.500 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 8.044 CV 1 ASSI { 1505} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 35 and name HN )) 2.200 2.200 3.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 7.497 CV 1 ASSI { 1507} ( segid " " and resid 140 and name HD1%) ( segid " " and resid 27 and name HE% ) 2.200 2.200 3.800 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 6.870 CV 1 ASSI { 1508} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 137 and name HA )) 2.500 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 4.594 CV 1 ASSI { 1509} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 136 and name HA2 )) 2.200 2.200 3.800 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 4.141 CV 1 ASSI { 1510} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 32 and name HD2 )) 2.200 2.200 3.800 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 3.336 CV 1 ASSI { 1511} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HA )) 3.400 1.500 1.500 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 3.043 CV 1 ASSI { 1512} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 33 and name HB1 )) 2.500 0.800 0.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 2.816 CV 1 ASSI { 1513} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 141 and name HG )) 2.200 2.200 3.800 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 2.238 CV 1 ASSI { 1514} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 144 and name HB1 )) 2.200 2.200 3.800 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 1.993 CV 1 ASSI { 1515} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB )) 2.800 1.000 1.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 1.774 CV 1 ASSI { 1516} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 32 and name HG2 )) 3.100 3.100 2.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 1.515 CV 1 ASSI { 1517} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 32 and name HB1 )) 3.900 1.900 1.900 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 1.290 CV 1 ASSI { 1519} ( segid " " and resid 140 and name HD1%) ( segid " " and resid 140 and name HG2%) 2.700 0.900 0.900 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.452 ppm2 0.680 CV 1 ASSI { 1522} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 115 and name HN )) 2.900 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.552 ppm2 10.195 CV 1 ASSI { 1523} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HN )) 3.500 1.500 1.500 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.555 ppm2 8.903 CV 1 ASSI { 1524} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 114 and name HN )) 2.700 0.900 0.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 8.636 CV 1 ASSI { 1525} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 8.012 CV 1 ASSI { 1527} ( segid " " and resid 113 and name HG1%) ( segid " " and resid 97 and name HD% ) 3.500 1.500 1.500 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.552 ppm2 7.155 CV 1 ASSI { 1528} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 1 and name HD21)) 2.200 2.200 3.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.552 ppm2 6.955 CV 1 ASSI { 1530} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 5.959 CV 1 ASSI { 1531} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 7 and name HA )) 2.400 0.700 0.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.555 ppm2 5.452 CV 1 ASSI { 1533} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 99 and name HA )) 3.600 1.600 1.600 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.555 ppm2 4.745 CV 1 ASSI { 1534} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.555 ppm2 4.538 CV 1 ASSI { 1535} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 115 and name HB2 )) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.555 ppm2 3.629 CV 1 ASSI { 1536} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 8 and name HB2 )) 3.300 1.400 1.400 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 3.121 CV 1 ASSI { 1537} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 115 and name HB1 )) 3.100 1.200 1.200 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 2.725 CV 1 ASSI { 1538} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.555 ppm2 2.554 CV 1 ASSI { 1539} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 97 and name HB1 )) 2.900 1.000 1.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 2.169 CV 1 ASSI { 1540} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HB )) 2.400 0.700 0.700 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.554 ppm2 1.223 CV 1 ASSI { 1541} ( segid " " and resid 113 and name HG1%) ( segid " " and resid 99 and name HG2%) 3.500 1.600 1.600 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.557 ppm2 0.806 CV 1 ASSI { 1542} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 7 and name HG1 )) 3.400 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.552 ppm2 1.515 CV 1 ASSI { 1543} ( segid " " and resid 113 and name HG1%) ( segid " " and resid 113 and name HG2%) 2.700 0.900 0.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.552 ppm2 0.184 CV 1 ASSI { 1544} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HN )) 2.800 1.000 1.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.148 ppm2 8.313 CV 1 ASSI { 1546} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB1 )) 2.800 1.000 1.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.148 ppm2 2.552 CV 1 ASSI { 1548} (( segid " " and resid 93 and name HA )) (( segid " " and resid 94 and name HN )) 3.000 1.200 1.200 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.140 ppm2 8.013 CV 1 ASSI { 1549} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 3.100 1.200 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.140 ppm2 2.800 CV 1 ASSI { 1552} (( segid " " and resid 72 and name HA )) (( segid " " and resid 70 and name HG1 )) 3.000 3.000 3.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.112 ppm2 1.171 CV 1 ASSI { 1553} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HN )) 2.700 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 9.021 CV 1 ASSI { 1554} (( segid " " and resid 90 and name HA )) (( segid " " and resid 92 and name HN )) 3.100 1.200 1.200 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 8.349 CV 1 ASSI { 1556} (( segid " " and resid 90 and name HA )) (( segid " " and resid 89 and name HA )) 3.400 1.400 1.400 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 3.608 CV 1 ASSI { 1557} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB2 )) 2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 3.321 CV 1 ASSI { 1558} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HB1 )) 3.800 1.800 1.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 2.026 CV 1 ASSI { 1559} (( segid " " and resid 3 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.900 2.900 3.100 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 1.700 CV 1 ASSI { 1560} (( segid " " and resid 3 and name HA )) (( segid " " and resid 120 and name HG1 )) 3.000 3.000 3.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 1.479 CV 1 ASSI { 1563} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 1.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 3.023 CV 1 ASSI { 1564} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB1 )) 2.900 1.100 1.100 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 2.643 CV 1 ASSI { 1566} (( segid " " and resid 14 and name HA )) (( segid " " and resid 107 and name HB2 )) 2.900 2.900 3.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.501 ppm2 1.601 CV 1 ASSI { 1567} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 8.284 CV 1 ASSI { 1568} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 7.739 CV 1 ASSI { 1569} (( segid " " and resid 14 and name HA )) (( segid " " and resid 108 and name HA )) 3.300 3.300 2.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 5.140 CV 1 ASSI { 1572} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HB2 )) 3.100 1.200 1.200 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 2.857 CV 1 ASSI { 1574} (( segid " " and resid 14 and name HA )) ( segid " " and resid 12 and name HG1%) 3.600 1.700 1.700 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 0.887 CV 1 ASSI { 1575} (( segid " " and resid 14 and name HA )) ( segid " " and resid 148 and name HG2%) 3.900 1.900 1.900 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.509 ppm2 0.676 CV 1 ASSI { 1577} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.700 0.900 0.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.470 ppm2 7.706 CV 1 ASSI { 1580} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HN )) 2.300 0.700 0.700 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.056 ppm2 8.877 CV 1 ASSI { 1581} (( segid " " and resid 112 and name HA )) (( segid " " and resid 9 and name HA )) 2.600 0.800 0.800 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.061 ppm2 5.907 CV 1 ASSI { 1582} (( segid " " and resid 57 and name HA )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.046 ppm2 4.395 CV 1 ASSI { 1583} (( segid " " and resid 112 and name HA )) (( segid " " and resid 7 and name HG1 )) 2.900 1.100 1.100 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.033 ppm2 1.541 CV 1 OR { 1583} (( segid " " and resid 112 and name HA )) (( segid " " and resid 7 and name HG2 )) ASSI { 1584} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HN )) 2.500 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.030 ppm2 8.674 CV 1 ASSI { 1585} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HB1 )) 3.400 1.400 1.400 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.028 ppm2 2.134 CV 1 ASSI { 1586} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HN )) 2.500 0.800 0.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.026 ppm2 8.376 CV 1 ASSI { 1587} (( segid " " and resid 57 and name HA )) (( segid " " and resid 38 and name HB )) 2.900 2.900 3.100 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.026 ppm2 4.089 CV 1 ASSI { 1588} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB2 )) 2.600 0.800 0.800 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.026 ppm2 3.531 CV 1 ASSI { 1589} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB1 )) 2.700 0.900 0.900 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.026 ppm2 2.605 CV 1 ASSI { 1590} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.076 ppm2 9.121 CV 1 ASSI { 1592} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.988 ppm2 8.415 CV 1 ASSI { 1593} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.600 0.800 0.800 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.987 ppm2 2.865 CV 1 ASSI { 1594} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 3.000 1.100 1.100 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.987 ppm2 2.565 CV 1 ASSI { 1595} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HN )) 2.500 0.800 0.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.989 ppm2 8.810 CV 1 ASSI { 1596} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HB )) 3.900 1.900 1.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.633 ppm2 3.958 CV 1 ASSI { 1597} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB )) 2.700 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.631 ppm2 2.160 CV 1 ASSI { 1598} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HG2%) 2.800 1.000 1.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.632 ppm2 1.006 CV 1 OR { 1598} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HG1%) ASSI { 1600} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 2.600 0.900 0.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.400 ppm2 4.055 CV 1 ASSI { 1601} (( segid " " and resid 138 and name HA )) ( segid " " and resid 10 and name HG2%) 3.900 1.900 1.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.152 ppm2 1.000 CV 1 ASSI { 1602} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.969 ppm2 8.208 CV 1 ASSI { 1607} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.133 ppm2 8.583 CV 1 ASSI { 1608} (( segid " " and resid 22 and name HA )) (( segid " " and resid 26 and name HN )) 3.100 1.200 1.200 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.132 ppm2 7.884 CV 1 ASSI { 1609} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HG1 )) 2.500 2.500 3.500 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.129 ppm2 1.557 CV 1 ASSI { 1610} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HG2%) 2.700 0.900 0.900 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.133 ppm2 1.307 CV 1 ASSI { 1611} (( segid " " and resid 22 and name HA )) (( segid " " and resid 26 and name HA2 )) 4.000 2.000 2.000 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.128 ppm2 4.546 CV 1 ASSI { 1612} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG2 )) 3.600 1.600 1.600 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.150 ppm2 2.311 CV 1 OR { 1612} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG1 )) ASSI { 1614} (( segid " " and resid 138 and name HA )) (( segid " " and resid 141 and name HB1 )) 3.600 1.600 1.600 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.148 ppm2 1.956 CV 1 ASSI { 1615} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HN )) 2.900 1.000 1.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.143 ppm2 6.941 CV 1 ASSI { 1616} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HB2 )) 3.500 3.500 2.500 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.142 ppm2 3.106 CV 1 ASSI { 1618} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 3.100 1.200 1.200 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.150 ppm2 1.824 CV 1 ASSI { 1619} (( segid " " and resid 138 and name HA )) ( segid " " and resid 141 and name HD1%) 2.900 1.100 1.100 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.149 ppm2 0.779 CV 1 ASSI { 1622} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.453 ppm2 11.216 CV 1 ASSI { 1626} (( segid " " and resid 64 and name HA )) (( segid " " and resid 82 and name HG1 )) 3.000 1.100 1.100 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.446 ppm2 1.655 CV 1 ASSI { 1630} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.195 ppm2 8.248 CV 1 ASSI { 1631} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.600 0.900 0.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 8.038 CV 1 ASSI { 1632} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG1 )) 3.100 1.200 1.200 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.192 ppm2 1.673 CV 1 OR { 1632} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HD1 )) ASSI { 1634} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HE2 )) 3.000 1.100 1.100 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.189 ppm2 3.007 CV 1 ASSI { 1639} (( segid " " and resid 17 and name HA )) (( segid " " and resid 74 and name HB2 )) 3.300 1.400 1.400 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.858 ppm2 2.121 CV 1 ASSI { 1641} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HD1 )) 3.300 3.300 2.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.858 ppm2 1.420 CV 1 ASSI { 1642} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HB1 )) 3.000 1.100 1.100 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.857 ppm2 2.362 CV 1 ASSI { 1644} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HB% ) 2.500 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.012 ppm2 1.592 CV 1 ASSI { 1645} (( segid " " and resid 19 and name HA )) ( segid " " and resid 22 and name HG2%) 3.600 1.700 1.700 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.011 ppm2 1.302 CV 1 ASSI { 1648} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.202 ppm2 9.251 CV 1 ASSI { 1649} (( segid " " and resid 47 and name HA )) ( segid " " and resid 46 and name HG1%) 3.200 1.300 1.300 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.203 ppm2 1.172 CV 1 ASSI { 1650} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HB2 )) 3.800 1.800 1.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.199 ppm2 1.924 CV 1 ASSI { 1652} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.193 ppm2 3.088 CV 1 ASSI { 1653} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.194 ppm2 2.816 CV 1 ASSI { 1654} (( segid " " and resid 47 and name HA )) ( segid " " and resid 54 and name HD% ) 3.500 3.500 2.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.193 ppm2 6.434 CV 1 ASSI { 1656} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HN )) 3.100 1.200 1.200 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.245 ppm2 8.298 CV 1 ASSI { 1657} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) 2.600 0.800 0.800 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.247 ppm2 1.077 CV 1 OR { 1657} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB1 )) ASSI { 1658} (( segid " " and resid 44 and name HA )) ( segid " " and resid 42 and name HB% ) 3.700 1.700 1.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.243 ppm2 1.609 CV 1 ASSI { 1659} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HD1%) 2.800 2.800 3.200 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.244 ppm2 0.830 CV 1 ASSI { 1662} (( segid " " and resid 114 and name HA )) (( segid " " and resid 98 and name HN )) 3.200 3.200 2.800 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.205 ppm2 8.905 CV 1 ASSI { 1663} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HN )) 2.600 0.800 0.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.197 ppm2 10.206 CV 1 ASSI { 1664} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) 2.800 1.000 1.000 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.195 ppm2 2.129 CV 1 OR { 1664} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG2 )) ASSI { 1665} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 2.400 0.700 0.700 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.335 ppm2 8.892 CV 1 ASSI { 1666} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HB2 )) 3.700 3.700 2.300 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.330 ppm2 1.897 CV 1 ASSI { 1667} (( segid " " and resid 52 and name HA )) ( segid " " and resid 71 and name HG2%) 3.700 3.700 2.300 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.330 ppm2 1.199 CV 1 ASSI { 1668} (( segid " " and resid 52 and name HA )) (( segid " " and resid 68 and name HG11)) 2.300 0.700 0.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.331 ppm2 0.842 CV 1 ASSI { 1669} (( segid " " and resid 55 and name HA )) (( segid " " and resid 44 and name HB1 )) 2.200 0.600 0.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.318 ppm2 1.059 CV 1 OR { 1669} (( segid " " and resid 55 and name HA )) (( segid " " and resid 44 and name HB2 )) ASSI { 1671} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HB1 )) 3.100 3.100 2.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.309 ppm2 2.682 CV 1 OR { 1671} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HB2 )) ASSI { 1672} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.700 0.900 0.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.309 ppm2 2.223 CV 1 OR { 1672} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) ASSI { 1673} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.200 2.200 3.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.307 ppm2 1.997 CV 1 ASSI { 1675} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 2.200 0.600 0.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.471 ppm2 8.021 CV 1 ASSI { 1676} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.700 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.903 ppm2 8.361 CV 1 ASSI { 1677} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) 3.400 1.400 1.400 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.896 ppm2 4.718 CV 1 ASSI { 1679} (( segid " " and resid 9 and name HA )) ( segid " " and resid 141 and name HD1%) 3.400 1.400 1.400 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.895 ppm2 0.782 CV 1 ASSI { 1680} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 2.400 0.700 0.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.893 ppm2 8.884 CV 1 ASSI { 1682} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.700 0.900 0.900 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.894 ppm2 3.594 CV 1 OR { 1682} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) ASSI { 1683} (( segid " " and resid 9 and name HA )) (( segid " " and resid 111 and name HA )) 3.200 3.200 2.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.889 ppm2 4.308 CV 1 ASSI { 1684} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HH2 )) 3.700 3.700 2.300 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.677 ppm2 7.956 CV 1 ASSI { 1685} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 2.500 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.672 ppm2 8.162 CV 1 ASSI { 1686} (( segid " " and resid 96 and name HA )) (( segid " " and resid 80 and name HA1 )) 3.500 1.500 1.500 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.428 ppm2 3.344 CV 1 ASSI { 1687} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HN )) 2.600 0.800 0.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.422 ppm2 9.055 CV 1 ASSI { 1689} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.421 ppm2 1.893 CV 1 OR { 1689} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG2 )) OR { 1689} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB1 )) ASSI { 1690} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.900 1.100 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.274 ppm2 2.738 CV 1 ASSI { 1691} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 2.600 0.900 0.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.270 ppm2 9.122 CV 1 ASSI { 1692} (( segid " " and resid 5 and name HA )) (( segid " " and resid 2 and name HA )) 3.000 3.000 3.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.270 ppm2 4.717 CV 1 ASSI { 1693} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HN )) 2.900 1.100 1.100 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.140 ppm2 8.844 CV 1 ASSI { 1694} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 2.300 0.700 0.700 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.993 ppm2 9.250 CV 1 ASSI { 1695} (( segid " " and resid 46 and name HA )) (( segid " " and resid 53 and name HD1 )) 3.500 1.500 1.500 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.990 ppm2 6.724 CV 1 ASSI { 1696} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HN )) 2.400 0.700 0.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.154 ppm2 9.681 CV 1 ASSI { 1697} (( segid " " and resid 98 and name HA )) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.156 ppm2 4.853 CV 1 ASSI { 1701} (( segid " " and resid 100 and name HA )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.296 ppm2 5.887 CV 1 ASSI { 1702} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB )) 2.700 0.900 0.900 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.297 ppm2 3.942 CV 1 ASSI { 1703} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HN )) 2.400 0.700 0.700 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.295 ppm2 8.789 CV 1 ASSI { 1706} (( segid " " and resid 11 and name HA )) (( segid " " and resid 110 and name HB2 )) 2.800 1.000 1.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.290 ppm2 1.582 CV 1 ASSI { 1707} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.287 ppm2 9.381 CV 1 ASSI { 1708} (( segid " " and resid 11 and name HA )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.284 ppm2 4.857 CV 1 ASSI { 1709} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB )) 2.800 1.000 1.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.287 ppm2 3.941 CV 1 ASSI { 1711} (( segid " " and resid 11 and name HA )) ( segid " " and resid 12 and name HG1%) 3.700 1.700 1.700 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.288 ppm2 0.925 CV 1 ASSI { 1712} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB )) 3.700 1.700 1.700 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.278 ppm2 2.009 CV 1 ASSI { 1713} (( segid " " and resid 76 and name HA )) ( segid " " and resid 77 and name HD1%) 2.600 0.800 0.800 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.891 ppm2 0.892 CV 1 ASSI { 1714} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.885 ppm2 9.087 CV 1 ASSI { 1715} (( segid " " and resid 76 and name HA )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.885 ppm2 8.806 CV 1 ASSI { 1716} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.600 0.800 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.885 ppm2 8.279 CV 1 ASSI { 1719} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB )) 2.700 0.900 0.900 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.885 ppm2 3.971 CV 1 ASSI { 1720} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HB2 )) 3.600 1.600 1.600 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.885 ppm2 1.582 CV 1 OR { 1720} (( segid " " and resid 76 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 1720} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 1722} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.114 ppm2 8.371 CV 1 ASSI { 1724} (( segid " " and resid 53 and name HA )) (( segid " " and resid 68 and name HG11)) 3.300 3.300 2.700 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.132 ppm2 0.892 CV 1 ASSI { 1727} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.300 2.300 3.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.113 ppm2 2.373 CV 1 ASSI { 1728} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.900 1.000 1.000 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.114 ppm2 1.920 CV 1 ASSI { 1729} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.500 0.800 0.800 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.619 ppm2 1.970 CV 1 ASSI { 1733} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) 2.800 1.000 1.000 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.617 ppm2 1.470 CV 1 ASSI { 1738} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.989 ppm2 7.451 CV 1 ASSI { 1739} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.600 0.800 0.800 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.989 ppm2 8.914 CV 1 ASSI { 1740} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.549 ppm2 7.876 CV 1 ASSI { 1741} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 29 and name HG2 )) 2.500 0.800 0.800 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.549 ppm2 2.241 CV 1 ASSI { 1742} (( segid " " and resid 105 and name HA2 )) (( segid " " and resid 105 and name HN )) 2.800 0.900 0.900 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.299 ppm2 7.890 CV 1 ASSI { 1743} (( segid " " and resid 105 and name HA2 )) (( segid " " and resid 105 and name HA1 )) 2.400 0.700 0.700 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.300 ppm2 3.850 CV 1 ASSI { 1747} (( segid " " and resid 45 and name HA1 )) (( segid " " and resid 28 and name HD1 )) 2.100 2.100 3.900 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.052 ppm2 3.312 CV 1 ASSI { 1748} (( segid " " and resid 45 and name HA1 )) (( segid " " and resid 45 and name HA2 )) 1.900 0.400 0.400 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.052 ppm2 2.812 CV 1 ASSI { 1749} (( segid " " and resid 45 and name HA1 )) ( segid " " and resid 40 and name HG1%) 2.200 2.200 3.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.052 ppm2 0.862 CV 1 ASSI { 1750} (( segid " " and resid 122 and name HA1 )) (( segid " " and resid 122 and name HN )) 2.800 1.000 1.000 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.047 ppm2 7.501 CV 1 OR { 1750} (( segid " " and resid 122 and name HA2 )) (( segid " " and resid 122 and name HN )) ASSI { 1751} (( segid " " and resid 45 and name HA1 )) (( segid " " and resid 53 and name HB2 )) 4.000 2.000 2.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.048 ppm2 1.897 CV 1 ASSI { 1752} (( segid " " and resid 105 and name HA1 )) (( segid " " and resid 105 and name HN )) 2.900 1.100 1.100 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.832 ppm2 7.889 CV 1 ASSI { 1759} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HN )) 2.600 0.900 0.900 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 9.083 CV 1 ASSI { 1761} (( segid " " and resid 76 and name HB )) (( segid " " and resid 78 and name HN )) 3.000 3.000 3.000 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 8.508 CV 1 ASSI { 1762} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HN )) 3.000 1.100 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 8.280 CV 1 ASSI { 1764} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HA )) 2.900 2.900 3.100 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 5.137 CV 1 ASSI { 1768} (( segid " " and resid 76 and name HB )) (( segid " " and resid 72 and name HB1 )) 3.500 1.500 1.500 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 2.420 CV 1 ASSI { 1773} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HN )) 2.600 0.900 0.900 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.922 ppm2 8.879 CV 1 ASSI { 1776} (( segid " " and resid 100 and name HB )) (( segid " " and resid 112 and name HB1 )) 2.900 1.100 1.100 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.922 ppm2 2.500 CV 1 OR { 1776} (( segid " " and resid 100 and name HB )) (( segid " " and resid 112 and name HB2 )) ASSI { 1783} (( segid " " and resid 11 and name HB )) (( segid " " and resid 12 and name HN )) 3.400 1.500 1.500 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.943 ppm2 9.386 CV 1 ASSI { 1784} (( segid " " and resid 11 and name HB )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.943 ppm2 8.498 CV 1 ASSI { 1790} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HN )) 3.100 1.200 1.200 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.563 ppm2 7.677 CV 1 ASSI { 1791} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HB2 )) 2.000 0.500 0.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.555 ppm2 4.126 CV 1 ASSI { 1795} (( segid " " and resid 137 and name HA )) ( segid " " and resid 140 and name HG2%) 3.500 1.600 1.600 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.578 ppm2 0.702 CV 1 ASSI { 1797} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB )) 2.500 0.800 0.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.529 ppm2 1.209 CV 1 ASSI { 1799} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HN )) 2.500 0.800 0.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.529 ppm2 8.638 CV 1 ASSI { 1800} (( segid " " and resid 113 and name HA )) ( segid " " and resid 99 and name HG2%) 3.500 1.500 1.500 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.529 ppm2 0.809 CV 1 ASSI { 1803} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 118 and name HN )) 3.400 1.400 1.400 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.745 ppm2 8.891 CV 1 ASSI { 1804} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.000 1.100 1.100 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.745 ppm2 5.139 CV 1 ASSI { 1807} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HN )) 2.700 0.900 0.900 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.685 ppm2 8.487 CV 1 ASSI { 1808} (( segid " " and resid 129 and name HA )) (( segid " " and resid 128 and name HG2 )) 3.400 1.500 1.500 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.688 ppm2 1.574 CV 1 ASSI { 1809} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HG2%) 2.800 1.000 1.000 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.685 ppm2 1.139 CV 1 ASSI { 1810} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB )) 2.900 1.000 1.000 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.682 ppm2 2.060 CV 1 ASSI { 1812} (( segid " " and resid 98 and name HB )) (( segid " " and resid 98 and name HN )) 2.600 0.800 0.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.991 ppm2 8.885 CV 1 ASSI { 1814} (( segid " " and resid 98 and name HB )) (( segid " " and resid 114 and name HB2 )) 3.100 1.200 1.200 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.988 ppm2 2.122 CV 1 OR { 1814} (( segid " " and resid 98 and name HB )) (( segid " " and resid 114 and name HG2 )) ASSI { 1815} (( segid " " and resid 98 and name HB )) ( segid " " and resid 98 and name HG2%) 2.700 0.900 0.900 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.990 ppm2 1.164 CV 1 ASSI { 1816} (( segid " " and resid 98 and name HB )) ( segid " " and resid 78 and name HG2%) 3.500 1.600 1.600 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.989 ppm2 0.906 CV 1 ASSI { 1823} (( segid " " and resid 64 and name HB )) (( segid " " and resid 82 and name HG1 )) 2.700 0.900 0.900 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 1.642 CV 1 ASSI { 1824} (( segid " " and resid 37 and name HB )) ( segid " " and resid 38 and name HG2%) 2.800 1.000 1.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.974 ppm2 0.671 CV 1 ASSI { 1837} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HN )) 2.400 0.700 0.700 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.047 ppm2 8.040 CV 1 ASSI { 1838} (( segid " " and resid 140 and name HA )) (( segid " " and resid 32 and name HA )) 3.800 1.800 1.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.047 ppm2 4.094 CV 1 ASSI { 1839} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB )) 2.500 0.800 0.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.047 ppm2 1.814 CV 1 ASSI { 1840} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HG12)) 2.400 0.700 0.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.047 ppm2 1.054 CV 1 ASSI { 1843} (( segid " " and resid 140 and name HA )) (( segid " " and resid 32 and name HG2 )) 2.900 1.100 1.100 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.043 ppm2 1.540 CV 1 ASSI { 1844} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HG11)) 2.700 2.700 3.300 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.044 ppm2 -0.690 CV 1 ASSI { 1845} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB2 )) 3.300 3.300 2.700 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.042 ppm2 1.701 CV 1 ASSI { 1847} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB )) 2.500 0.800 0.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.359 ppm2 1.748 CV 1 ASSI { 1849} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG1 )) 2.900 1.000 1.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.356 ppm2 2.360 CV 1 OR { 1849} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) ASSI { 1850} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) 2.600 0.800 0.800 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.356 ppm2 1.972 CV 1 ASSI { 1851} (( segid " " and resid 145 and name HA )) ( segid " " and resid 10 and name HG1%) 3.300 1.400 1.400 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.356 ppm2 0.974 CV 1 OR { 1851} (( segid " " and resid 145 and name HA )) ( segid " " and resid 10 and name HG2%) ASSI { 1852} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HN )) 3.000 1.100 1.100 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.352 ppm2 7.661 CV 1 ASSI { 1855} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) 2.900 1.100 1.100 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.503 ppm2 1.982 CV 1 ASSI { 1856} (( segid " " and resid 144 and name HA )) (( segid " " and resid 141 and name HA )) 3.900 2.000 2.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.501 ppm2 4.176 CV 1 ASSI { 1857} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB2 )) 2.500 0.800 0.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.500 ppm2 2.745 CV 1 ASSI { 1858} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.186 ppm2 8.721 CV 1 ASSI { 1859} (( segid " " and resid 20 and name HA )) (( segid " " and resid 24 and name HN )) 2.900 1.100 1.100 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.187 ppm2 8.248 CV 1 ASSI { 1860} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.187 ppm2 8.039 CV 1 ASSI { 1861} (( segid " " and resid 20 and name HA )) ( segid " " and resid 101 and name HD% ) 3.500 1.500 1.500 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.185 ppm2 7.107 CV 1 ASSI { 1864} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.900 1.000 1.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.184 ppm2 2.359 CV 1 ASSI { 1866} (( segid " " and resid 20 and name HA )) (( segid " " and resid 74 and name HG2 )) 4.500 2.600 1.500 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.186 ppm2 1.300 CV 1 ASSI { 1873} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 142 and name HB1 )) 3.400 3.400 2.600 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.116 ppm2 2.205 CV 1 ASSI { 1874} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 32 and name HG2 )) 3.500 1.500 1.500 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.129 ppm2 1.549 CV 1 ASSI { 1876} (( segid " " and resid 16 and name HA )) (( segid " " and resid 109 and name HB )) 2.800 0.900 0.900 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.125 ppm2 3.677 CV 1 ASSI { 1880} (( segid " " and resid 16 and name HA )) ( segid " " and resid 19 and name HB% ) 2.500 0.800 0.800 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.119 ppm2 1.589 CV 1 ASSI { 1884} (( segid " " and resid 16 and name HA )) ( segid " " and resid 12 and name HG1%) 3.200 1.200 1.200 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.112 ppm2 0.905 CV 1 ASSI { 1885} (( segid " " and resid 16 and name HA )) (( segid " " and resid 20 and name HB1 )) 3.000 3.000 3.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.103 ppm2 2.364 CV 1 ASSI { 1886} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HD2 )) 3.500 1.500 1.500 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.097 ppm2 3.305 CV 1 ASSI { 1887} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HD% ) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.092 ppm2 7.165 CV 1 ASSI { 1890} (( segid " " and resid 79 and name HA )) (( segid " " and resid 80 and name HN )) 2.300 0.700 0.700 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.502 ppm2 9.936 CV 1 ASSI { 1894} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) 2.700 0.900 0.900 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.506 ppm2 2.516 CV 1 OR { 1894} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HG2 )) OR { 1894} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) ASSI { 1896} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HD2 )) 2.800 1.000 1.000 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.503 ppm2 7.323 CV 1 ASSI { 1897} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HA )) 3.000 3.000 3.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.502 ppm2 3.744 CV 1 ASSI { 1901} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.659 ppm2 7.739 CV 1 ASSI { 1902} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.900 1.100 1.100 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.661 ppm2 1.631 CV 1 ASSI { 1903} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HE2 )) 3.600 1.600 1.600 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.655 ppm2 2.993 CV 1 OR { 1903} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HE1 )) ASSI { 1905} (( segid " " and resid 51 and name HA1 )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.977 ppm2 7.547 CV 1 ASSI { 1907} (( segid " " and resid 51 and name HA1 )) (( segid " " and resid 68 and name HB )) 2.300 0.700 0.700 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.977 ppm2 1.463 CV 1 ASSI { 1912} (( segid " " and resid 136 and name HA2 )) (( segid " " and resid 136 and name HN )) 2.900 1.100 1.100 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.119 ppm2 8.281 CV 1 ASSI { 1913} (( segid " " and resid 136 and name HA2 )) (( segid " " and resid 137 and name HN )) 3.300 1.400 1.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.110 ppm2 8.995 CV 1 ASSI { 1914} (( segid " " and resid 136 and name HA2 )) (( segid " " and resid 135 and name HN )) 3.600 1.600 1.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.112 ppm2 7.285 CV 1 ASSI { 1915} (( segid " " and resid 136 and name HA2 )) (( segid " " and resid 136 and name HA1 )) 2.300 0.600 0.600 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.113 ppm2 3.641 CV 1 ASSI { 1920} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 2.300 0.600 0.600 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.857 ppm2 2.574 CV 1 ASSI { 1923} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 101 and name HB2 )) 3.600 1.600 1.600 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.855 ppm2 3.969 CV 1 ASSI { 1924} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 73 and name HG2 )) 2.800 1.000 1.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.855 ppm2 1.495 CV 1 OR { 1924} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 73 and name HG1 )) ASSI { 1925} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 76 and name HG2%) 3.400 1.500 1.500 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.855 ppm2 1.203 CV 1 ASSI { 1926} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 101 and name HA )) 3.400 3.400 2.600 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.202 ppm2 4.987 CV 1 ASSI { 1927} (( segid " " and resid 16 and name HD1 )) ( segid " " and resid 109 and name HG2%) 2.900 1.100 1.100 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.201 ppm2 1.256 CV 1 ASSI { 1929} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 101 and name HB2 )) 3.300 1.400 1.400 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.198 ppm2 3.952 CV 1 ASSI { 1930} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 16 and name HG2 )) 2.600 0.900 0.900 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.197 ppm2 1.918 CV 1 OR { 1930} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 16 and name HB1 )) OR { 1930} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 16 and name HB2 )) ASSI { 1931} (( segid " " and resid 16 and name HD1 )) ( segid " " and resid 103 and name HB% ) 2.600 0.900 0.900 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.197 ppm2 1.545 CV 1 ASSI { 1936} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 101 and name HB2 )) 3.400 3.400 2.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.563 ppm2 3.966 CV 1 ASSI { 1937} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 73 and name HG1 )) 2.900 1.000 1.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.563 ppm2 1.478 CV 1 OR { 1937} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 73 and name HG2 )) ASSI { 1938} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 76 and name HG2%) 3.000 1.100 1.100 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.563 ppm2 1.208 CV 1 ASSI { 1939} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 25 and name HN )) 3.000 1.200 1.200 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.522 ppm2 8.624 CV 1 ASSI { 1940} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 24 and name HB2 )) 3.800 1.800 1.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.523 ppm2 1.977 CV 1 ASSI { 1941} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 48 and name HD1 )) 2.400 0.700 0.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.524 ppm2 1.694 CV 1 ASSI { 1943} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HN )) 3.200 1.300 1.300 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.752 ppm2 8.455 CV 1 OR { 1943} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HD22)) ASSI { 1944} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.100 1.200 1.200 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.734 ppm2 8.425 CV 1 ASSI { 1945} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HD21)) 2.700 0.900 0.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.728 ppm2 7.526 CV 1 ASSI { 1950} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 69 and name HD2 )) 3.200 1.300 1.300 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.901 ppm2 2.914 CV 1 ASSI { 1951} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 97 and name HN )) 3.300 1.300 1.300 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.897 ppm2 9.059 CV 1 ASSI { 1955} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 96 and name HA )) 2.900 1.000 1.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.886 ppm2 5.424 CV 1 ASSI { 1958} (( segid " " and resid 13 and name HG1 )) (( segid " " and resid 13 and name HN )) 3.300 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.581 ppm2 9.117 CV 1 ASSI { 1959} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HN )) 2.300 0.600 0.600 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 9.110 CV 1 ASSI { 1963} ( segid " " and resid 89 and name HD1%) ( segid " " and resid 89 and name HG2%) 2.700 0.900 0.900 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.739 ppm2 0.963 CV 1 ASSI { 1986} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 131 and name HD21)) 2.700 0.900 0.900 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.936 ppm2 6.871 CV 1 ASSI { 1989} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HA )) 2.600 0.800 0.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.922 ppm2 4.775 CV 1 ASSI { 1990} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 1 and name HA )) 2.600 0.800 0.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.858 ppm2 4.770 CV 1 ASSI { 1991} (( segid " " and resid 25 and name HG1 )) (( segid " " and resid 25 and name HN )) 2.300 0.600 0.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.240 ppm2 8.616 CV 1 ASSI { 1994} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.592 ppm2 4.246 CV 1 ASSI { 1995} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 3.000 1.100 1.100 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.917 ppm2 4.185 CV 1 ASSI { 1997} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 2.700 0.900 0.900 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.569 ppm2 4.941 CV 1 ASSI { 1999} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD% ) 2.900 1.100 1.100 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.573 ppm2 7.310 CV 1 ASSI { 2002} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HN )) 2.500 0.800 0.800 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.820 ppm2 8.161 CV 1 ASSI { 2003} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 150 and name HN )) 3.300 1.400 1.400 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.819 ppm2 7.941 CV 1 ASSI { 2004} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 148 and name HN )) 3.500 1.600 1.600 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.833 ppm2 7.666 CV 1 ASSI { 2005} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 146 and name HN )) 3.200 1.300 1.300 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.715 ppm2 8.662 CV 1 ASSI { 2006} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HN )) 2.500 0.800 0.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.863 ppm2 8.669 CV 1 ASSI { 2014} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB1 )) 2.200 0.600 0.600 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.254 ppm2 2.500 CV 1 ASSI { 2016} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 108 and name HB2 )) 3.900 1.900 1.900 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.497 ppm2 1.597 CV 1 ASSI { 2017} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 108 and name HB1 )) 2.400 0.700 0.700 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.500 ppm2 1.846 CV 1 ASSI { 2018} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 108 and name HB2 )) 3.900 1.900 1.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.260 ppm2 1.597 CV 1 ASSI { 2019} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 108 and name HB1 )) 2.300 0.700 0.700 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.251 ppm2 1.850 CV 1 ASSI { 2020} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HN )) 3.300 1.300 1.300 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.500 ppm2 8.332 CV 1 ASSI { 2021} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HN )) 2.500 0.800 0.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.249 ppm2 8.330 CV 1 ASSI { 2024} (( segid " " and resid 152 and name HA1 )) (( segid " " and resid 152 and name HN )) 2.800 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.005 ppm2 8.198 CV 1 OR { 2024} (( segid " " and resid 152 and name HA2 )) (( segid " " and resid 152 and name HN )) ASSI { 2025} (( segid " " and resid 136 and name HA1 )) (( segid " " and resid 136 and name HN )) 2.600 0.800 0.800 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.652 ppm2 8.285 CV 1 ASSI { 2026} (( segid " " and resid 136 and name HA1 )) (( segid " " and resid 135 and name HN )) 3.400 1.400 1.400 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.639 ppm2 7.273 CV 1 ASSI { 2032} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.553 ppm2 5.152 CV 1 OR { 2032} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) ASSI { 2033} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 97 and name HD% ) 3.000 3.000 3.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.588 ppm2 7.114 CV 1 ASSI { 2035} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 3.200 1.300 1.300 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.556 ppm2 8.539 CV 1 OR { 2035} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) ASSI { 2036} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.600 0.800 0.800 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.584 ppm2 9.086 CV 1 ASSI { 2037} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) 2.500 0.800 0.800 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.582 ppm2 0.879 CV 1 OR { 2037} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HG )) ASSI { 2038} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 24 and name HD2%) 2.900 1.000 1.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.550 ppm2 1.155 CV 1 ASSI { 2042} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 16 and name HG1 )) 2.200 2.200 3.800 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.453 ppm2 1.753 CV 1 ASSI { 2045} (( segid " " and resid 51 and name HA2 )) (( segid " " and resid 51 and name HN )) 2.400 0.700 0.700 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.808 ppm2 7.545 CV 1 ASSI { 2046} (( segid " " and resid 51 and name HA1 )) (( segid " " and resid 51 and name HA2 )) 2.100 0.500 0.500 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.975 ppm2 3.827 CV 1 ASSI { 2048} (( segid " " and resid 51 and name HA2 )) (( segid " " and resid 68 and name HB )) 2.900 1.100 1.100 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.809 ppm2 1.464 CV 1 ASSI { 2050} (( segid " " and resid 14 and name HA )) (( segid " " and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.512 ppm2 1.970 CV 1 ASSI { 2051} (( segid " " and resid 14 and name HA )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.512 ppm2 4.082 CV 1 ASSI { 2063} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB1 )) 2.600 0.900 0.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.884 ppm2 2.240 CV 1 ASSI { 2067} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.114 ppm2 8.551 CV 1 ASSI { 2070} (( segid " " and resid 67 and name HA )) ( segid " " and resid 67 and name HD2%) 3.600 1.600 1.600 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.894 ppm2 0.832 CV 1 OR { 2070} (( segid " " and resid 67 and name HA )) ( segid " " and resid 67 and name HD1%) ASSI { 2071} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.700 0.900 0.900 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.898 ppm2 1.466 CV 1 OR { 2071} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 2072} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 2.500 0.800 0.800 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.896 ppm2 8.426 CV 1 ASSI { 2073} (( segid " " and resid 44 and name HA )) (( segid " " and resid 56 and name HN )) 3.900 1.900 1.900 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.244 ppm2 8.809 CV 1 ASSI { 2074} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.115 ppm2 8.787 CV 1 ASSI { 2076} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HN )) 2.800 0.900 0.900 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.915 ppm2 8.331 CV 1 ASSI { 2080} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB1 )) 2.700 0.900 0.900 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.554 ppm2 1.646 CV 1 ASSI { 2081} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.625 ppm2 2.897 CV 1 ASSI { 2082} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.600 0.900 0.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.562 ppm2 2.854 CV 1 ASSI { 2085} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HA )) 3.100 3.100 2.900 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.565 ppm2 3.620 CV 1 ASSI { 2086} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.623 ppm2 7.531 CV 1 ASSI { 2113} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HN )) 2.500 0.800 0.800 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.542 ppm2 8.318 CV 1 ASSI { 2114} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.150 ppm2 8.538 CV 1 ASSI { 2115} (( segid " " and resid 77 and name HA )) (( segid " " and resid 72 and name HN )) 2.600 0.900 0.900 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.148 ppm2 8.776 CV 1 ASSI { 2116} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HN )) 2.900 2.900 3.100 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.152 ppm2 8.296 CV 1 ASSI { 2118} (( segid " " and resid 77 and name HA )) (( segid " " and resid 71 and name HA )) 2.700 0.900 0.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.149 ppm2 4.385 CV 1 ASSI { 2120} (( segid " " and resid 77 and name HA )) (( segid " " and resid 70 and name HG1 )) 3.600 1.600 1.600 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.150 ppm2 1.173 CV 1 ASSI { 2122} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HB% ) 2.700 0.900 0.900 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.541 ppm2 1.556 CV 1 ASSI { 2123} (( segid " " and resid 103 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.800 2.800 3.200 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.552 ppm2 1.904 CV 1 OR { 2123} (( segid " " and resid 103 and name HA )) (( segid " " and resid 16 and name HB2 )) ASSI { 2125} (( segid " " and resid 103 and name HA )) ( segid " " and resid 102 and name HG1%) 3.300 1.300 1.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.546 ppm2 0.921 CV 1 OR { 2125} (( segid " " and resid 103 and name HA )) ( segid " " and resid 102 and name HG2%) ASSI { 2126} (( segid " " and resid 103 and name HA )) (( segid " " and resid 16 and name HD1 )) 2.500 0.800 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.556 ppm2 3.178 CV 1 ASSI { 2128} (( segid " " and resid 121 and name HA )) (( segid " " and resid 125 and name HB2 )) 3.300 3.300 2.700 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.634 ppm2 2.885 CV 1 ASSI { 2134} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG )) 2.700 0.900 0.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.151 ppm2 0.893 CV 1 OR { 2134} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 2135} (( segid " " and resid 55 and name HA )) ( segid " " and resid 44 and name HD1%) 4.100 2.200 1.900 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.311 ppm2 0.837 CV 1 ASSI { 2136} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HN )) 2.600 0.900 0.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.542 ppm2 9.135 CV 1 ASSI { 2137} (( segid " " and resid 103 and name HA )) (( segid " " and resid 110 and name HN )) 3.400 1.500 1.500 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.540 ppm2 9.839 CV 1 ASSI { 2142} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.800 1.000 1.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.954 ppm2 1.463 CV 1 OR { 2142} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG2 )) ASSI { 2143} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.500 0.800 0.800 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.957 ppm2 1.694 CV 1 ASSI { 2146} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 2.500 0.800 0.800 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.448 ppm2 8.937 CV 1 ASSI { 2152} (( segid " " and resid 114 and name HA )) (( segid " " and resid 7 and name HG1 )) 2.600 2.600 3.400 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.191 ppm2 1.546 CV 1 ASSI { 2155} (( segid " " and resid 52 and name HA )) (( segid " " and resid 68 and name HB )) 3.100 1.200 1.200 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.336 ppm2 1.469 CV 1 ASSI { 2157} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB1 )) 2.800 1.000 1.000 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.472 ppm2 1.546 CV 1 OR { 2157} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG1 )) OR { 2157} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG2 )) ASSI { 2158} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 2.700 0.900 0.900 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.607 ppm2 2.671 CV 1 OR { 2158} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) ASSI { 2160} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HN )) 2.800 1.000 1.000 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.112 ppm2 6.842 CV 1 ASSI { 2161} (( segid " " and resid 107 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.111 ppm2 8.279 CV 1 ASSI { 2162} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB1 )) 2.600 0.800 0.800 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.112 ppm2 1.986 CV 1 ASSI { 2163} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 2.900 1.000 1.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.112 ppm2 1.641 CV 1 ASSI { 2164} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG1 )) 3.100 1.200 1.200 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.112 ppm2 1.357 CV 1 OR { 2164} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG2 )) ASSI { 2166} (( segid " " and resid 107 and name HA )) (( segid " " and resid 15 and name HA )) 3.000 1.100 1.100 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.113 ppm2 4.556 CV 1 ASSI { 2169} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.600 0.800 0.800 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.945 ppm2 6.936 CV 1 ASSI { 2170} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.900 1.100 1.100 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.940 ppm2 3.575 CV 1 ASSI { 2177} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD% ) 2.900 1.000 1.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.936 ppm2 7.305 CV 1 ASSI { 2179} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HN )) 2.600 0.900 0.900 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.128 ppm2 6.845 CV 1 ASSI { 2180} (( segid " " and resid 108 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.131 ppm2 7.737 CV 1 ASSI { 2181} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.128 ppm2 9.005 CV 1 ASSI { 2185} (( segid " " and resid 108 and name HA )) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.125 ppm2 4.666 CV 1 ASSI { 2188} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.500 0.800 0.800 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.132 ppm2 1.603 CV 1 ASSI { 2190} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB1 )) 2.900 1.000 1.000 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.128 ppm2 1.870 CV 1 ASSI { 2199} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG2 )) 2.600 0.800 0.800 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.203 ppm2 2.172 CV 1 ASSI { 2213} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 2.800 1.000 1.000 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.192 ppm2 1.469 CV 1 ASSI { 2215} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HD2 )) 3.000 1.100 1.100 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.243 ppm2 2.979 CV 1 OR { 2215} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HD1 )) ASSI { 2216} (( segid " " and resid 146 and name HA )) (( segid " " and resid 154 and name HE2 )) 2.900 1.100 1.100 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.347 ppm2 2.760 CV 1 ASSI { 2217} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HE21)) 3.200 3.200 2.800 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.190 ppm2 7.824 CV 1 ASSI { 2218} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HN )) 2.800 1.000 1.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.238 ppm2 7.300 CV 1 ASSI { 2219} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.700 0.900 0.900 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.239 ppm2 8.713 CV 1 ASSI { 2222} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HN )) 2.700 0.900 0.900 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.191 ppm2 7.827 CV 1 ASSI { 2235} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.987 ppm2 3.851 CV 1 ASSI { 2236} (( segid " " and resid 95 and name HA )) (( segid " " and resid 118 and name HB2 )) 3.000 1.100 1.100 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.984 ppm2 3.303 CV 1 ASSI { 2237} (( segid " " and resid 95 and name HA )) (( segid " " and resid 118 and name HB1 )) 2.700 0.900 0.900 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.989 ppm2 2.867 CV 1 ASSI { 2243} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG1 )) 3.100 1.200 1.200 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.193 ppm2 1.469 CV 1 OR { 2243} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG2 )) ASSI { 2248} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HD2 )) 2.900 1.100 1.100 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.077 ppm2 1.657 CV 1 OR { 2248} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HD1 )) ASSI { 2249} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB )) 2.700 0.900 0.900 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.077 ppm2 1.994 CV 1 ASSI { 2250} (( segid " " and resid 12 and name HA )) (( segid " " and resid 145 and name HG1 )) 3.400 1.400 1.400 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.077 ppm2 2.357 CV 1 OR { 2250} (( segid " " and resid 12 and name HA )) (( segid " " and resid 145 and name HB2 )) ASSI { 2259} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.900 1.900 1.900 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.506 ppm2 1.742 CV 1 ASSI { 2263} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 3.100 1.200 1.200 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.209 ppm2 2.100 CV 1 ASSI { 2264} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.500 1.500 1.500 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.210 ppm2 2.395 CV 1 ASSI { 2266} (( segid " " and resid 95 and name HA )) ( segid " " and resid 118 and name HD% ) 3.200 1.300 1.300 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.986 ppm2 7.149 CV 1 ASSI { 2282} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HG1 )) 3.100 1.200 1.200 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.206 ppm2 2.367 CV 1 OR { 2282} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HG2 )) ASSI { 2290} (( segid " " and resid 75 and name HA )) (( segid " " and resid 101 and name HN )) 3.100 1.200 1.200 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.983 ppm2 8.798 CV 1 ASSI { 2301} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HN )) 2.600 0.900 0.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.359 ppm2 8.436 CV 1 ASSI { 2302} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) 2.700 0.900 0.900 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.994 ppm2 2.187 CV 1 ASSI { 2312} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.600 0.800 0.800 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.955 ppm2 6.391 CV 1 ASSI { 2314} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.700 0.900 0.900 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.955 ppm2 2.176 CV 1 ASSI { 2317} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HN )) 2.400 0.700 0.700 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.923 ppm2 8.700 CV 1 ASSI { 2318} (( segid " " and resid 56 and name HA )) (( segid " " and resid 61 and name HG2 )) 2.500 0.800 0.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.917 ppm2 2.178 CV 1 ASSI { 2319} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.632 ppm2 8.499 CV 1 ASSI { 2320} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.632 ppm2 8.873 CV 1 ASSI { 2325} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HN )) 2.500 0.800 0.800 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.289 ppm2 8.646 CV 1 ASSI { 2327} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HB1 )) 4.200 2.200 1.800 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.293 ppm2 2.537 CV 1 ASSI { 2328} (( segid " " and resid 100 and name HA )) ( segid " " and resid 102 and name HG2%) 3.300 3.300 2.700 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.302 ppm2 0.901 CV 1 ASSI { 2330} (( segid " " and resid 111 and name HA )) ( segid " " and resid 111 and name HG2%) 2.900 1.000 1.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.295 ppm2 0.905 CV 1 ASSI { 2334} (( segid " " and resid 23 and name HA )) (( segid " " and resid 30 and name HE1 )) 2.800 2.800 3.200 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.276 ppm2 10.241 CV 1 ASSI { 2335} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 2.600 0.800 0.800 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.370 ppm2 8.764 CV 1 ASSI { 2338} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 2.600 0.900 0.900 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.377 ppm2 7.649 CV 1 ASSI { 2340} (( segid " " and resid 6 and name HA )) (( segid " " and resid 2 and name HA )) 2.800 2.800 3.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.372 ppm2 4.677 CV 1 ASSI { 2341} (( segid " " and resid 6 and name HA )) (( segid " " and resid 1 and name HB2 )) 2.200 0.600 0.600 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.372 ppm2 2.907 CV 1 ASSI { 2349} (( segid " " and resid 76 and name HA )) (( segid " " and resid 72 and name HB2 )) 3.100 3.100 2.900 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.875 ppm2 2.926 CV 1 ASSI { 2354} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.297 ppm2 8.505 CV 1 ASSI { 2355} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) 2.600 0.800 0.800 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.363 ppm2 9.127 CV 1 ASSI { 2356} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HN )) 2.500 0.800 0.800 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.871 ppm2 9.845 CV 1 ASSI { 2357} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.880 ppm2 9.003 CV 1 ASSI { 2358} (( segid " " and resid 109 and name HA )) (( segid " " and resid 103 and name HA )) 2.900 1.000 1.000 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.870 ppm2 4.542 CV 1 ASSI { 2359} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB )) 2.700 0.900 0.900 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.872 ppm2 3.679 CV 1 ASSI { 2360} (( segid " " and resid 109 and name HA )) (( segid " " and resid 108 and name HB1 )) 3.100 3.100 2.900 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.872 ppm2 1.866 CV 1 ASSI { 2361} (( segid " " and resid 109 and name HA )) ( segid " " and resid 103 and name HB% ) 3.700 1.700 1.700 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.875 ppm2 1.562 CV 1 ASSI { 2363} (( segid " " and resid 109 and name HA )) ( segid " " and resid 102 and name HG1%) 3.600 1.600 1.600 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.875 ppm2 0.915 CV 1 OR { 2363} (( segid " " and resid 109 and name HA )) ( segid " " and resid 102 and name HG2%) ASSI { 2364} (( segid " " and resid 137 and name HA )) (( segid " " and resid 140 and name HB )) 2.200 0.600 0.600 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.580 ppm2 1.797 CV 1 ASSI { 2372} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HG11)) 3.400 1.500 1.500 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.610 ppm2 0.684 CV 1 ASSI { 2373} (( segid " " and resid 89 and name HA )) (( segid " " and resid 90 and name HN )) 2.600 0.900 0.900 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.580 ppm2 9.004 CV 1 ASSI { 2383} (( segid " " and resid 109 and name HA )) (( segid " " and resid 104 and name HN )) 2.800 1.000 1.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.873 ppm2 8.326 CV 1 ASSI { 2396} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) 2.600 0.900 0.900 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.603 ppm2 2.036 CV 1 ASSI { 2397} (( segid " " and resid 4 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.800 2.800 3.200 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.600 ppm2 1.723 CV 1 ASSI { 2404} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HG1 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.042 ppm2 1.457 CV 1 OR { 2404} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HG2 )) OR { 2404} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB1 )) ASSI { 2405} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 95 and name HN )) 2.800 1.000 1.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.808 ppm2 8.870 CV 1 ASSI { 2406} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.803 ppm2 5.140 CV 1 ASSI { 2409} (( segid " " and resid 139 and name HA )) (( segid " " and resid 142 and name HB1 )) 2.900 1.000 1.000 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.007 ppm2 2.258 CV 1 OR { 2409} (( segid " " and resid 139 and name HA )) (( segid " " and resid 142 and name HB2 )) ASSI { 2410} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HN )) 2.800 1.000 1.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.007 ppm2 6.914 CV 1 ASSI { 2412} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) 3.600 1.600 1.600 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.595 ppm2 8.884 CV 1 OR { 2412} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 2413} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) 2.800 1.000 1.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.594 ppm2 8.350 CV 1 OR { 2413} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) ASSI { 2415} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HA )) 3.400 1.400 1.400 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.594 ppm2 4.729 CV 1 OR { 2415} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 2426} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB )) 2.900 1.100 1.100 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.037 ppm2 4.281 CV 1 ASSI { 2433} (( segid " " and resid 22 and name HA )) (( segid " " and resid 29 and name HG2 )) 3.400 3.400 2.600 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.148 ppm2 2.295 CV 1 OR { 2433} (( segid " " and resid 22 and name HA )) (( segid " " and resid 29 and name HG1 )) ASSI { 2434} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HB1 )) 3.100 3.100 2.900 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.144 ppm2 1.965 CV 1 ASSI { 2439} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HN )) 2.600 0.800 0.800 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.288 ppm2 6.916 CV 1 ASSI { 2440} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) 3.100 1.200 1.200 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.056 ppm2 8.030 CV 1 ASSI { 2455} (( segid " " and resid 109 and name HB )) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.675 ppm2 8.993 CV 1 ASSI { 2460} (( segid " " and resid 98 and name HB )) (( segid " " and resid 114 and name HN )) 2.700 0.900 0.900 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.984 ppm2 8.634 CV 1 ASSI { 2463} (( segid " " and resid 98 and name HB )) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.981 ppm2 5.166 CV 1 ASSI { 2476} (( segid " " and resid 139 and name HB )) (( segid " " and resid 135 and name HE2 )) 2.200 2.200 3.800 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.289 ppm2 2.975 CV 1 ASSI { 2477} (( segid " " and resid 139 and name HB )) (( segid " " and resid 138 and name HG2 )) 3.200 1.200 1.200 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.288 ppm2 2.334 CV 1 ASSI { 2480} (( segid " " and resid 22 and name HA )) (( segid " " and resid 148 and name HG12)) 3.400 3.400 2.600 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.141 ppm2 0.796 CV 1 ASSI { 2482} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.900 1.000 1.000 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.971 ppm2 8.917 CV 1 ASSI { 2483} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.595 ppm2 5.042 CV 1 OR { 2483} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 112 and name HA )) ASSI { 2484} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 8 and name HB2 )) 3.600 3.600 2.400 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.592 ppm2 3.127 CV 1 OR { 2484} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HB2 )) ASSI { 2487} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 67 and name HD1%) 2.200 2.200 3.800 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.809 ppm2 0.818 CV 1 ASSI { 2490} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 96 and name HB1 )) 3.600 1.600 1.600 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.749 ppm2 1.934 CV 1 OR { 2490} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 96 and name HG2 )) ASSI { 2491} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HN )) 3.400 1.400 1.400 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.523 ppm2 7.684 CV 1 ASSI { 2494} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HA2 )) 3.100 3.100 2.900 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.522 ppm2 4.132 CV 1 ASSI { 2496} (( segid " " and resid 74 and name HA )) ( segid " " and resid 101 and name HD% ) 2.900 1.100 1.100 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.049 ppm2 7.101 CV 1 ASSI { 2499} (( segid " " and resid 4 and name HA )) (( segid " " and resid 2 and name HN )) 3.700 3.700 2.300 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.603 ppm2 7.190 CV 1 ASSI { 2500} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 3.200 1.300 1.300 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.603 ppm2 8.808 CV 1 ASSI { 2514} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HN )) 2.900 1.100 1.100 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.490 ppm2 8.437 CV 1 ASSI { 2515} (( segid " " and resid 144 and name HA )) ( segid " " and resid 22 and name HG2%) 2.700 0.900 0.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.508 ppm2 1.339 CV 1 ASSI { 2516} (( segid " " and resid 144 and name HA )) (( segid " " and resid 32 and name HG2 )) 3.000 1.100 1.100 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.507 ppm2 1.511 CV 1 ASSI { 2522} (( segid " " and resid 27 and name HA )) ( segid " " and resid 46 and name HG2%) 3.400 1.400 1.400 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.952 ppm2 1.272 CV 1 ASSI { 2523} (( segid " " and resid 27 and name HA )) (( segid " " and resid 34 and name HD21)) 3.000 3.000 3.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.957 ppm2 7.516 CV 1 ASSI { 2524} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HA )) 3.200 3.200 2.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.299 ppm2 5.017 CV 1 ASSI { 2525} (( segid " " and resid 145 and name HA )) (( segid " " and resid 144 and name HB2 )) 2.200 2.200 3.800 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.352 ppm2 2.766 CV 1 ASSI { 2527} (( segid " " and resid 145 and name HA )) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.355 ppm2 5.082 CV 1 ASSI { 2536} (( segid " " and resid 46 and name HA )) ( segid " " and resid 54 and name HD% ) 3.100 1.200 1.200 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.995 ppm2 6.440 CV 1 ASSI { 2537} (( segid " " and resid 24 and name HA )) ( segid " " and resid 27 and name HD% ) 2.700 2.700 3.300 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.615 ppm2 7.117 CV 1 ASSI { 2538} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.626 ppm2 8.243 CV 1 ASSI { 2540} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HE22)) 3.500 1.600 1.600 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.099 ppm2 6.789 CV 1 ASSI { 2542} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.700 0.900 0.900 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.273 ppm2 3.078 CV 1 ASSI { 2543} (( segid " " and resid 75 and name HA )) ( segid " " and resid 76 and name HG2%) 3.000 1.100 1.100 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.985 ppm2 1.232 CV 1 ASSI { 2544} (( segid " " and resid 126 and name HA )) (( segid " " and resid 125 and name HB2 )) 3.300 1.300 1.300 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.731 ppm2 2.881 CV 1 ASSI { 2552} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.600 0.900 0.900 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.075 ppm2 9.388 CV 1 ASSI { 2553} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HN )) 2.400 0.700 0.700 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.996 ppm2 9.642 CV 1 ASSI { 2556} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.700 0.900 0.900 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.989 ppm2 3.957 CV 1 ASSI { 2557} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB1 )) 2.400 0.700 0.700 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.000 ppm2 2.524 CV 1 ASSI { 2558} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HB )) 3.600 1.600 1.600 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.989 ppm2 1.961 CV 1 ASSI { 2559} (( segid " " and resid 101 and name HA )) ( segid " " and resid 109 and name HG2%) 3.000 1.100 1.100 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.999 ppm2 1.255 CV 1 ASSI { 2564} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB2 )) 2.600 0.900 0.900 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.321 ppm2 1.885 CV 1 ASSI { 2565} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HG2 )) 3.000 1.100 1.100 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.321 ppm2 1.482 CV 1 ASSI { 2567} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) 2.600 0.800 0.800 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.680 ppm2 3.115 CV 1 ASSI { 2589} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 2.600 0.900 0.900 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.601 ppm2 8.852 CV 1 ASSI { 2593} (( segid " " and resid 7 and name HA )) (( segid " " and resid 114 and name HA )) 2.600 0.800 0.800 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.478 ppm2 5.193 CV 1 ASSI { 2594} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.466 ppm2 4.716 CV 1 ASSI { 2595} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HD1 )) 3.600 1.600 1.600 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.484 ppm2 3.040 CV 1 OR { 2595} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HD2 )) ASSI { 2597} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HD1 )) 2.600 0.900 0.900 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.112 ppm2 6.720 CV 1 ASSI { 2618} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 3 and name HA )) 3.300 1.300 1.300 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.108 ppm2 4.874 CV 1 ASSI { 2619} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 3 and name HA )) 3.400 1.400 1.400 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.992 ppm2 4.866 CV 1 ASSI { 2621} (( segid " " and resid 4 and name HD2 )) (( segid " " and resid 4 and name HB1 )) 3.500 1.500 1.500 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.108 ppm2 2.032 CV 1 ASSI { 2622} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 4 and name HB1 )) 3.000 1.100 1.100 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.990 ppm2 2.034 CV 1 ASSI { 2624} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB1 )) 3.500 3.500 2.500 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.878 ppm2 2.027 CV 1 ASSI { 2625} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HG2 )) 3.800 3.800 2.200 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.882 ppm2 2.252 CV 1 ASSI { 2627} (( segid " " and resid 91 and name HD2 )) (( segid " " and resid 92 and name HN )) 2.600 0.800 0.800 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.820 ppm2 8.329 CV 1 ASSI { 2635} (( segid " " and resid 28 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 3.100 3.100 2.900 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.363 ppm2 2.725 CV 1 ASSI { 2638} (( segid " " and resid 28 and name HD1 )) (( segid " " and resid 28 and name HB1 )) 2.700 0.900 0.900 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.362 ppm2 1.951 CV 1 ASSI { 2639} (( segid " " and resid 28 and name HD1 )) ( segid " " and resid 46 and name HG2%) 3.700 1.700 1.700 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.358 ppm2 1.277 CV 1 ASSI { 2641} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.511 ppm2 8.946 CV 1 ASSI { 2644} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 31 and name HA )) 2.900 1.100 1.100 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.334 ppm2 3.995 CV 1 ASSI { 2647} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 140 and name HG12)) 3.300 3.300 2.700 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.338 ppm2 1.044 CV 1 ASSI { 2649} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 79 and name HG2%) 2.500 0.800 0.800 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.550 ppm2 -0.105 CV 1 ASSI { 2650} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 99 and name HG1%) 2.800 1.000 1.000 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.580 ppm2 -0.372 CV 1 ASSI { 2651} (( segid " " and resid 152 and name HA1 )) (( segid " " and resid 153 and name HN )) 2.900 1.100 1.100 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.002 ppm2 7.752 CV 1 OR { 2651} (( segid " " and resid 152 and name HA2 )) (( segid " " and resid 153 and name HN )) ASSI { 2652} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.289 ppm2 7.879 CV 1 ASSI { 2653} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 29 and name HG2 )) 2.600 0.800 0.800 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.288 ppm2 2.221 CV 1 ASSI { 2654} (( segid " " and resid 60 and name HA1 )) ( segid " " and resid 56 and name HG2%) 3.600 3.600 2.400 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.510 ppm2 1.046 CV 1 ASSI { 2655} (( segid " " and resid 60 and name HA1 )) (( segid " " and resid 62 and name HN )) 3.500 3.500 2.500 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.511 ppm2 8.270 CV 1 ASSI { 2656} (( segid " " and resid 50 and name HA1 )) (( segid " " and resid 50 and name HN )) 2.600 0.800 0.800 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.725 ppm2 8.699 CV 1 ASSI { 2657} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.673 ppm2 8.223 CV 1 ASSI { 2658} (( segid " " and resid 60 and name HA2 )) ( segid " " and resid 56 and name HG2%) 2.900 2.900 3.100 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.214 ppm2 1.046 CV 1 ASSI { 2662} (( segid " " and resid 60 and name HA1 )) (( segid " " and resid 60 and name HA2 )) 2.400 0.700 0.700 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.508 ppm2 4.211 CV 1 ASSI { 2667} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HN )) 2.900 1.100 1.100 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.329 ppm2 9.012 CV 1 ASSI { 2670} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HB1 )) 2.300 0.600 0.600 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.330 ppm2 2.216 CV 1 ASSI { 2677} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HN )) 3.000 1.100 1.100 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.646 ppm2 8.610 CV 1 ASSI { 2680} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HA )) 2.600 0.800 0.800 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.821 ppm2 4.445 CV 1 ASSI { 2682} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 77 and name HG )) 3.100 3.100 2.900 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.943 ppm2 0.904 CV 1 OR { 2682} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 77 and name HD1%) ASSI { 2684} (( segid " " and resid 96 and name HG2 )) ( segid " " and resid 78 and name HG1%) 2.800 1.000 1.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.892 ppm2 0.706 CV 1 ASSI { 2687} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 1.900 0.500 0.500 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.844 ppm2 2.193 CV 1 ASSI { 2690} (( segid " " and resid 25 and name HG1 )) (( segid " " and resid 25 and name HG2 )) 2.200 0.600 0.600 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.247 ppm2 2.521 CV 1 OR { 2690} (( segid " " and resid 25 and name HG1 )) (( segid " " and resid 25 and name HB2 )) OR { 2690} (( segid " " and resid 25 and name HG1 )) (( segid " " and resid 25 and name HB1 )) ASSI { 2691} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 25 and name HG1 )) 2.100 0.500 0.500 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.521 ppm2 2.253 CV 1 ASSI { 2697} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HN )) 2.400 0.700 0.700 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.336 ppm2 8.377 CV 1 ASSI { 2698} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HA )) 3.600 1.600 1.600 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.335 ppm2 4.106 CV 1 ASSI { 2699} (( segid " " and resid 58 and name HG1 )) (( segid " " and resid 58 and name HA )) 3.500 1.500 1.500 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.415 ppm2 4.105 CV 1 ASSI { 2706} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 104 and name HN )) 3.300 1.300 1.300 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.876 ppm2 8.345 CV 1 ASSI { 2710} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HD1%) 2.700 0.900 0.900 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.463 ppm2 0.319 CV 1 OR { 2710} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HG12)) ASSI { 2711} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HN )) 2.500 0.800 0.800 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.432 ppm2 7.948 CV 1 ASSI { 2713} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HN )) 3.100 1.200 1.200 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.263 ppm2 7.967 CV 1 ASSI { 2719} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HB2 )) 2.700 0.900 0.900 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.466 ppm2 1.672 CV 1 OR { 2719} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HB2 )) ASSI { 2721} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG1%) 2.700 0.900 0.900 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.993 ppm2 0.935 CV 1 OR { 2721} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG2%) ASSI { 2722} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HN )) 3.400 1.400 1.400 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.376 ppm2 8.347 CV 1 ASSI { 2724} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HE22)) 3.300 1.300 1.300 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.432 ppm2 7.578 CV 1 ASSI { 2726} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HE21)) 2.900 1.100 1.100 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.433 ppm2 6.797 CV 1 ASSI { 2728} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HA )) 3.700 1.800 1.800 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.376 ppm2 4.500 CV 1 ASSI { 2730} (( segid " " and resid 71 and name HB )) (( segid " " and resid 71 and name HN )) 2.700 0.900 0.900 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.177 ppm2 8.724 CV 1 ASSI { 2735} (( segid " " and resid 113 and name HB )) (( segid " " and resid 113 and name HN )) 2.400 0.700 0.700 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.223 ppm2 8.898 CV 1 ASSI { 2736} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.105 ppm2 8.035 CV 1 ASSI { 2738} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.105 ppm2 4.188 CV 1 ASSI { 2740} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) 2.800 1.000 1.000 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.723 ppm2 4.124 CV 1 ASSI { 2741} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HA )) 2.700 0.900 0.900 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.525 ppm2 4.130 CV 1 ASSI { 2747} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.500 1.500 1.500 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.660 ppm2 8.548 CV 1 ASSI { 2748} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.455 ppm2 8.548 CV 1 ASSI { 2749} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HN )) 3.000 1.100 1.100 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.954 ppm2 8.354 CV 1 OR { 2749} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HN )) ASSI { 2750} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HN )) 3.500 1.500 1.500 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.048 ppm2 8.163 CV 1 ASSI { 2751} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HN )) 2.600 0.800 0.800 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.130 ppm2 8.166 CV 1 ASSI { 2752} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.161 ppm2 8.358 CV 1 ASSI { 2753} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HN )) 2.700 0.900 0.900 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.211 ppm2 7.949 CV 1 OR { 2753} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HN )) ASSI { 2754} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 8 and name HE1 )) 2.900 1.100 1.100 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.796 ppm2 6.667 CV 1 ASSI { 2756} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 54 and name HD% ) 4.000 2.000 2.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.247 ppm2 6.416 CV 1 ASSI { 2757} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 54 and name HA )) 3.500 3.500 2.500 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.247 ppm2 5.579 CV 1 ASSI { 2758} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.246 ppm2 5.016 CV 1 ASSI { 2769} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 41 and name HA2 )) 3.200 3.200 2.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.016 ppm2 4.115 CV 1 ASSI { 2771} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 141 and name HN )) 2.900 1.000 1.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.669 ppm2 9.009 CV 1 ASSI { 2773} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 58 and name HN )) 3.000 1.100 1.100 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.665 ppm2 8.375 CV 1 ASSI { 2787} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 13 and name HN )) 3.400 3.400 2.600 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.981 ppm2 9.137 CV 1 ASSI { 2790} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 102 and name HN )) 2.200 2.200 3.800 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.876 ppm2 9.640 CV 1 ASSI { 2798} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 63 and name HD2 )) 3.100 1.200 1.200 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.667 ppm2 6.955 CV 1 ASSI { 2801} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 112 and name HB1 )) 3.500 1.500 1.500 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.038 ppm2 2.482 CV 1 ASSI { 2802} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 8 and name HB2 )) 3.200 3.200 2.800 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.039 ppm2 3.156 CV 1 ASSI { 2804} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 103 and name HN )) 2.800 0.900 0.900 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.536 ppm2 9.140 CV 1 ASSI { 2805} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 104 and name HN )) 3.200 1.300 1.300 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.536 ppm2 8.325 CV 1 ASSI { 2823} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HN )) 3.400 1.500 1.500 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.140 ppm2 8.188 CV 1 ASSI { 2824} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 110 and name HN )) 3.800 3.800 2.200 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.537 ppm2 9.839 CV 1 ASSI { 2825} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) 3.100 1.200 1.200 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.665 ppm2 8.041 CV 1 ASSI { 2828} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 145 and name HE21)) 2.800 0.900 0.900 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.014 ppm2 7.575 CV 1 ASSI { 2829} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.014 ppm2 4.648 CV 1 ASSI { 2830} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 141 and name HA )) 3.100 1.200 1.200 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.013 ppm2 4.153 CV 1 ASSI { 2831} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 144 and name HB2 )) 3.700 1.800 1.800 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.015 ppm2 2.761 CV 1 ASSI { 2832} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 111 and name HG1%) 3.000 1.200 1.200 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.012 ppm2 -0.022 CV 1 ASSI { 2836} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 2.500 2.500 3.500 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.376 ppm2 8.355 CV 1 ASSI { 2837} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.900 1.100 1.100 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.377 ppm2 4.500 CV 1 ASSI { 2844} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 76 and name HG2%) 3.500 1.500 1.500 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.410 ppm2 1.184 CV 1 ASSI { 2845} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HB1 )) 2.400 0.700 0.700 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.651 ppm2 2.472 CV 1 ASSI { 2849} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HN )) 3.000 1.100 1.100 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.650 ppm2 8.332 CV 1 ASSI { 2850} (( segid " " and resid 92 and name HB1 )) (( segid " " and resid 92 and name HN )) 3.100 1.200 1.200 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.474 ppm2 8.333 CV 1 ASSI { 2852} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HN )) 2.400 0.700 0.700 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.877 ppm2 8.716 CV 1 ASSI { 2853} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.800 1.000 1.000 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.871 ppm2 0.920 CV 1 ASSI { 2854} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG1%) 2.700 0.900 0.900 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.868 ppm2 0.714 CV 1 !ambiguous NOE-dist restraints ASSI { 14} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 27 and name HB1 )) 2.700 2.700 3.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.248 ppm2 2.190 CV 1 OR { 14} (( segid " " and resid 53 and name HE1 )) (( segid " " and resid 97 and name HB1 )) ASSI { 15} (( segid " " and resid 53 and name HE1 )) (( segid " " and resid 52 and name HB1 )) 4.000 2.000 2.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 10.248 ppm2 1.975 CV 1 OR { 15} (( segid " " and resid 30 and name HE1 )) (( segid " " and resid 147 and name HB2 )) ASSI { 30} (( segid " " and resid 80 and name HN )) (( segid " " and resid 69 and name HN )) 3.500 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.946 ppm2 8.736 CV 1 OR { 30} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) ASSI { 40} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG12)) 2.800 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.944 ppm2 0.837 CV 1 OR { 40} (( segid " " and resid 80 and name HN )) ( segid " " and resid 67 and name HD1%) ASSI { 60} (( segid " " and resid 110 and name HN )) (( segid " " and resid 12 and name HN )) 3.400 1.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.843 ppm2 9.384 CV 1 OR { 60} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) ASSI { 81} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) 3.500 1.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.682 ppm2 8.896 CV 1 OR { 81} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HN )) ASSI { 97} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.640 ppm2 4.329 CV 1 OR { 97} (( segid " " and resid 102 and name HN )) (( segid " " and resid 111 and name HA )) ASSI { 102} (( segid " " and resid 102 and name HN )) (( segid " " and resid 110 and name HB2 )) 4.000 2.000 2.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.639 ppm2 1.585 CV 1 OR { 102} (( segid " " and resid 102 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 104} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HG1%) 4.000 2.000 2.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.639 ppm2 0.890 CV 1 OR { 104} (( segid " " and resid 102 and name HN )) ( segid " " and resid 111 and name HG2%) ASSI { 122} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.700 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.404 ppm2 4.432 CV 1 OR { 122} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 147} (( segid " " and resid 12 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.379 ppm2 1.593 CV 1 OR { 147} (( segid " " and resid 12 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 213} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.125 ppm2 1.986 CV 1 OR { 213} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB )) ASSI { 226} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.124 ppm2 4.376 CV 1 OR { 226} (( segid " " and resid 6 and name HN )) (( segid " " and resid 116 and name HA )) ASSI { 230} (( segid " " and resid 6 and name HN )) (( segid " " and resid 2 and name HN )) 3.300 1.400 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.118 ppm2 7.207 CV 1 OR { 230} (( segid " " and resid 6 and name HN )) (( segid " " and resid 115 and name HD2 )) ASSI { 242} (( segid " " and resid 77 and name HN )) (( segid " " and resid 101 and name HN )) 3.700 1.700 1.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.088 ppm2 8.767 CV 1 OR { 242} (( segid " " and resid 77 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 246} (( segid " " and resid 77 and name HN )) ( segid " " and resid 101 and name HD% ) 3.900 1.900 1.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.088 ppm2 7.065 CV 1 OR { 246} (( segid " " and resid 77 and name HN )) ( segid " " and resid 20 and name HD% ) ASSI { 251} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.089 ppm2 5.159 CV 1 OR { 251} (( segid " " and resid 77 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 265} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.000 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.084 ppm2 4.891 CV 1 OR { 265} (( segid " " and resid 67 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 292} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.800 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 9.023 ppm2 8.065 CV 1 OR { 292} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) ASSI { 387} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 88 and name HG2 )) 3.800 3.800 2.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.993 ppm2 1.595 CV 1 OR { 387} (( segid " " and resid 81 and name HE1 )) (( segid " " and resid 128 and name HG2 )) ASSI { 431} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 3.600 1.600 1.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.909 ppm2 4.523 CV 1 OR { 431} (( segid " " and resid 19 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 437} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.908 ppm2 4.123 CV 1 OR { 437} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 474} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.890 ppm2 1.920 CV 1 OR { 474} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 486} (( segid " " and resid 113 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.897 ppm2 4.757 CV 1 OR { 486} (( segid " " and resid 113 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 544} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.900 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 5.150 CV 1 OR { 544} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) ASSI { 557} (( segid " " and resid 10 and name HN )) (( segid " " and resid 112 and name HN )) 3.600 1.600 1.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 8.674 CV 1 OR { 557} (( segid " " and resid 55 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 558} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 3.400 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 8.382 CV 1 OR { 558} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) ASSI { 563} (( segid " " and resid 55 and name HN )) ( segid " " and resid 42 and name HB% ) 4.000 2.000 2.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.857 ppm2 1.571 CV 1 OR { 563} (( segid " " and resid 10 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 627} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HN )) 3.500 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 8.044 CV 1 OR { 627} (( segid " " and resid 33 and name HN )) (( segid " " and resid 140 and name HN )) ASSI { 636} (( segid " " and resid 23 and name HN )) ( segid " " and resid 19 and name HB% ) 3.700 1.700 1.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.765 ppm2 1.588 CV 1 OR { 636} (( segid " " and resid 23 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 645} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.200 1.300 1.300 peak 645 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.779 ppm2 1.232 CV 1 OR { 645} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HG2%) ASSI { 650} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.775 ppm2 8.571 CV 1 OR { 650} (( segid " " and resid 72 and name HN )) (( segid " " and resid 78 and name HN )) ASSI { 653} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 3.000 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.776 ppm2 5.131 CV 1 OR { 653} (( segid " " and resid 72 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 664} (( segid " " and resid 72 and name HN )) (( segid " " and resid 77 and name HG )) 3.200 1.300 1.300 peak 664 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.775 ppm2 0.898 CV 1 OR { 664} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HG1%) ASSI { 698} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HG11)) 4.100 2.100 1.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.730 ppm2 0.883 CV 1 OR { 698} (( segid " " and resid 69 and name HN )) (( segid " " and resid 79 and name HG12)) ASSI { 702} (( segid " " and resid 69 and name HN )) (( segid " " and resid 78 and name HA )) 3.500 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.727 ppm2 4.887 CV 1 OR { 702} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 729} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 729 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.717 ppm2 5.142 CV 1 OR { 729} (( segid " " and resid 71 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 783} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB )) 2.900 1.000 1.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.697 ppm2 1.684 CV 1 OR { 783} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB1 )) ASSI { 809} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 3.100 1.200 1.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.663 ppm2 4.358 CV 1 OR { 809} (( segid " " and resid 146 and name HN )) (( segid " " and resid 143 and name HA )) ASSI { 973} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 3.400 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 8.742 CV 1 OR { 973} (( segid " " and resid 78 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 978} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 1.726 CV 1 OR { 978} (( segid " " and resid 78 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 979} (( segid " " and resid 78 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.700 1.700 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 1.562 CV 1 OR { 979} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 981} (( segid " " and resid 78 and name HN )) (( segid " " and resid 70 and name HG1 )) 3.900 1.900 1.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.537 ppm2 1.176 CV 1 OR { 981} (( segid " " and resid 78 and name HN )) ( segid " " and resid 98 and name HG2%) ASSI { 1004} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.499 ppm2 9.386 CV 1 OR { 1004} (( segid " " and resid 11 and name HN )) (( segid " " and resid 111 and name HN )) ASSI { 1018} (( segid " " and resid 11 and name HN )) ( segid " " and resid 12 and name HG2%) 3.700 1.800 1.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.496 ppm2 0.777 CV 1 OR { 1018} (( segid " " and resid 11 and name HN )) ( segid " " and resid 141 and name HD1%) ASSI { 1077} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) 3.000 1.200 1.200 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.448 ppm2 0.966 CV 1 OR { 1077} (( segid " " and resid 131 and name HN )) ( segid " " and resid 89 and name HG2%) ASSI { 1084} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HA )) 3.700 1.700 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 4.361 CV 1 OR { 1084} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HA )) ASSI { 1090} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 2.800 1.000 1.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.441 ppm2 1.966 CV 1 OR { 1090} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 1098} (( segid " " and resid 145 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.700 1.700 1.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.435 ppm2 1.487 CV 1 OR { 1098} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HB1 )) ASSI { 1106} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 2.900 1.100 1.100 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.432 ppm2 1.471 CV 1 OR { 1106} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 1127} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.200 1.300 1.300 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.416 ppm2 2.575 CV 1 OR { 1127} (( segid " " and resid 75 and name HN )) (( segid " " and resid 101 and name HB1 )) ASSI { 1147} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.900 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.406 ppm2 7.526 CV 1 OR { 1147} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD21)) ASSI { 1150} (( segid " " and resid 34 and name HN )) (( segid " " and resid 136 and name HA2 )) 4.100 2.100 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.404 ppm2 4.139 CV 1 OR { 1150} (( segid " " and resid 34 and name HN )) (( segid " " and resid 143 and name HB2 )) ASSI { 1152} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.100 1.200 1.200 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.406 ppm2 2.758 CV 1 OR { 1152} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 1182} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 3.400 1.500 1.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.371 ppm2 8.868 CV 1 OR { 1182} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) ASSI { 1188} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA )) 3.300 1.400 1.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.370 ppm2 5.301 CV 1 OR { 1188} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 1213} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HG1 )) 2.700 0.900 0.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 2.396 CV 1 OR { 1213} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 1217} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 3.700 1.700 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.347 ppm2 8.020 CV 1 OR { 1217} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HN )) ASSI { 1229} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 3.500 1.500 1.500 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.350 ppm2 8.884 CV 1 OR { 1229} (( segid " " and resid 9 and name HN )) (( segid " " and resid 113 and name HN )) ASSI { 1261} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 3.000 1.100 1.100 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.329 ppm2 4.895 CV 1 OR { 1261} (( segid " " and resid 104 and name HN )) (( segid " " and resid 109 and name HA )) ASSI { 1264} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HA2 )) 3.800 1.800 1.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.329 ppm2 4.338 CV 1 OR { 1264} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA )) ASSI { 1271} (( segid " " and resid 104 and name HN )) ( segid " " and resid 12 and name HG1%) 3.900 1.900 1.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.328 ppm2 0.947 CV 1 OR { 1271} (( segid " " and resid 104 and name HN )) ( segid " " and resid 102 and name HG2%) ASSI { 1293} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.800 1.000 1.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.312 ppm2 4.198 CV 1 OR { 1293} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 1315} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 3.200 1.300 1.300 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 3.161 CV 1 OR { 1315} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HD1 )) ASSI { 1316} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.200 1.300 1.300 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 2.835 CV 1 OR { 1316} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) ASSI { 1319} (( segid " " and resid 16 and name HN )) ( segid " " and resid 103 and name HB% ) 3.600 1.600 1.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.283 ppm2 1.578 CV 1 OR { 1319} (( segid " " and resid 16 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 1361} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 4.524 CV 1 OR { 1361} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 1365} (( segid " " and resid 15 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.500 1.600 1.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.284 ppm2 1.633 CV 1 OR { 1365} (( segid " " and resid 15 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 1378} (( segid " " and resid 76 and name HN )) ( segid " " and resid 101 and name HD% ) 3.300 1.400 1.400 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.272 ppm2 7.040 CV 1 OR { 1378} (( segid " " and resid 76 and name HN )) ( segid " " and resid 20 and name HD% ) ASSI { 1402} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA )) 3.700 1.700 1.700 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.279 ppm2 3.853 CV 1 OR { 1402} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HB2 )) ASSI { 1431} (( segid " " and resid 24 and name HN )) ( segid " " and resid 20 and name HD% ) 3.600 1.600 1.600 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.235 ppm2 7.068 CV 1 OR { 1431} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HE% ) ASSI { 1455} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.222 ppm2 8.031 CV 1 OR { 1455} (( segid " " and resid 17 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 1460} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB2 )) 3.600 1.600 1.600 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.223 ppm2 2.849 CV 1 OR { 1460} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HB2 )) ASSI { 1461} (( segid " " and resid 17 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.500 3.500 2.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.223 ppm2 2.337 CV 1 OR { 1461} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 1464} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.100 1.200 1.200 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.222 ppm2 1.676 CV 1 OR { 1464} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) ASSI { 1466} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.300 1.400 1.400 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.221 ppm2 1.353 CV 1 OR { 1466} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 1468} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.207 ppm2 4.134 CV 1 OR { 1468} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 1515} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HD2 )) 3.800 1.800 1.800 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 2.241 CV 1 OR { 1515} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB2 )) OR { 1515} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1548} (( segid " " and resid 149 and name HN )) (( segid " " and resid 13 and name HG2 )) 3.400 1.500 1.500 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.169 ppm2 1.337 CV 1 OR { 1548} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG1 )) ASSI { 1550} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 3.100 1.200 1.200 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.158 ppm2 4.481 CV 1 OR { 1550} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 1571} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HE2 )) 4.100 2.100 1.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.157 ppm2 2.902 CV 1 OR { 1571} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HD1 )) ASSI { 1594} (( segid " " and resid 151 and name HN )) ( segid " " and resid 153 and name HB% ) 4.000 2.000 2.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.150 ppm2 1.467 CV 1 OR { 1594} (( segid " " and resid 151 and name HN )) (( segid " " and resid 154 and name HG2 )) ASSI { 1629} (( segid " " and resid 140 and name HN )) (( segid " " and resid 136 and name HA2 )) 3.500 1.500 1.500 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.045 ppm2 4.109 CV 1 OR { 1629} (( segid " " and resid 140 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 1645} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD1 )) 3.900 1.900 1.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.035 ppm2 1.612 CV 1 OR { 1645} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 1657} (( segid " " and resid 39 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.600 1.600 1.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.022 ppm2 2.259 CV 1 OR { 1657} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HD2 )) ASSI { 1682} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.014 ppm2 5.144 CV 1 OR { 1682} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 1694} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.900 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.995 ppm2 4.279 CV 1 OR { 1694} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 1695} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HD1 )) 3.500 1.600 1.600 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.994 ppm2 3.331 CV 1 OR { 1695} (( segid " " and resid 29 and name HN )) (( segid " " and resid 32 and name HD2 )) ASSI { 1712} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 2.700 0.900 0.900 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.950 ppm2 8.160 CV 1 OR { 1712} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) ASSI { 1733} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HN )) 3.600 1.600 1.600 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.924 ppm2 7.319 CV 1 OR { 1733} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD% ) ASSI { 1736} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.200 1.300 1.300 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.924 ppm2 3.569 CV 1 OR { 1736} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA1 )) ASSI { 1768} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 3.000 1.200 1.200 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.876 ppm2 4.356 CV 1 OR { 1768} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) ASSI { 1782} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.873 ppm2 4.554 CV 1 OR { 1782} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA2 )) ASSI { 1790} (( segid " " and resid 26 and name HN )) ( segid " " and resid 46 and name HG1%) 3.700 1.700 1.700 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.871 ppm2 1.137 CV 1 OR { 1790} (( segid " " and resid 26 and name HN )) ( segid " " and resid 24 and name HD2%) ASSI { 1797} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 2.800 1.000 1.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.862 ppm2 8.469 CV 1 OR { 1797} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) ASSI { 1806} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.819 ppm2 4.080 CV 1 OR { 1806} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HA1 )) OR { 1806} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HA2 )) ASSI { 1833} (( segid " " and resid 144 and name HN )) (( segid " " and resid 141 and name HA )) 3.100 1.200 1.200 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.775 ppm2 4.155 CV 1 OR { 1833} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) ASSI { 1855} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 3.300 1.300 1.300 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 4.526 CV 1 OR { 1855} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 1859} (( segid " " and resid 14 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.800 1.800 1.800 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.736 ppm2 1.613 CV 1 OR { 1859} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HG1 )) ASSI { 1875} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA1 )) 3.400 1.400 1.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.695 ppm2 3.658 CV 1 OR { 1875} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HD1 )) ASSI { 1955} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HG11)) 4.000 2.000 2.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.627 ppm2 0.838 CV 1 OR { 1955} (( segid " " and resid 66 and name HN )) ( segid " " and resid 67 and name HD2%) ASSI { 1966} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.625 ppm2 1.486 CV 1 OR { 1966} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 1966} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 1978} (( segid " " and resid 84 and name HD22)) (( segid " " and resid 84 and name HB2 )) 3.300 1.400 1.400 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.576 ppm2 2.586 CV 1 OR { 1978} (( segid " " and resid 93 and name HD21)) (( segid " " and resid 93 and name HB1 )) ASSI { 2014} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 1.732 CV 1 OR { 2014} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 2016} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.500 1.500 1.500 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 1.339 CV 1 OR { 2016} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG2 )) ASSI { 2018} (( segid " " and resid 70 and name HN )) ( segid " " and resid 78 and name HG2%) 3.900 1.900 1.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.565 ppm2 0.913 CV 1 OR { 2018} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HG11)) ASSI { 2032} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 145 and name HB1 )) 2.900 1.000 1.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.558 ppm2 1.969 CV 1 OR { 2032} (( segid " " and resid 145 and name HE21)) (( segid " " and resid 141 and name HB1 )) ASSI { 2046} (( segid " " and resid 51 and name HN )) ( segid " " and resid 71 and name HG1%) 3.700 1.700 1.700 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.540 ppm2 0.874 CV 1 OR { 2046} (( segid " " and resid 51 and name HN )) (( segid " " and resid 68 and name HG11)) ASSI { 2126} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG2 )) 3.600 1.600 1.600 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 7.296 ppm2 1.335 CV 1 OR { 2126} (( segid " " and resid 125 and name HN )) ( segid " " and resid 126 and name HB% ) ASSI { 2154} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HN )) 3.400 1.500 1.500 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.914 ppm2 9.023 CV 1 OR { 2154} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HN )) ASSI { 2160} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HB1 )) 4.200 2.200 1.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.914 ppm2 1.978 CV 1 OR { 2160} (( segid " " and resid 139 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 2189} (( segid " " and resid 84 and name HD21)) (( segid " " and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.900 ppm2 2.587 CV 1 OR { 2189} (( segid " " and resid 93 and name HD22)) (( segid " " and resid 93 and name HB1 )) ASSI { 2236} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HA )) 3.400 1.400 1.400 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.839 ppm2 4.911 CV 1 OR { 2236} (( segid " " and resid 108 and name HN )) (( segid " " and resid 104 and name HA )) ASSI { 2239} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 3.200 1.200 1.200 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.838 ppm2 4.119 CV 1 OR { 2239} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 2243} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.200 1.300 1.300 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 6.838 ppm2 1.599 CV 1 OR { 2243} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) ASSI { 2348} (( segid " " and resid 78 and name HN )) (( segid " " and resid 68 and name HG12)) 3.600 3.600 2.400 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.539 ppm2 0.350 CV 1 OR { 2348} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HG11)) ASSI { 2357} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.300 1.400 1.400 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.893 ppm2 8.670 CV 1 OR { 2357} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) ASSI { 2431} (( segid " " and resid 45 and name HN )) (( segid " " and resid 56 and name HN )) 3.600 1.600 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.293 ppm2 8.836 CV 1 OR { 2431} (( segid " " and resid 45 and name HN )) (( segid " " and resid 55 and name HN )) ASSI { 1} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB2 )) 2.800 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.940 ppm2 3.573 CV 1 OR { 1} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) ASSI { 9} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HN )) 2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.888 ppm2 9.386 CV 1 OR { 9} (( segid " " and resid 110 and name HA )) (( segid " " and resid 12 and name HN )) ASSI { 14} (( segid " " and resid 104 and name HA )) ( segid " " and resid 103 and name HB% ) 3.400 1.500 1.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.907 ppm2 1.558 CV 1 OR { 14} (( segid " " and resid 104 and name HA )) (( segid " " and resid 108 and name HB2 )) ASSI { 21} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.400 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.561 ppm2 8.268 CV 1 OR { 21} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) ASSI { 23} (( segid " " and resid 15 and name HA )) (( segid " " and resid 107 and name HA )) 3.100 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.561 ppm2 4.105 CV 1 OR { 23} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HA )) ASSI { 24} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB1 )) 2.900 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.561 ppm2 3.169 CV 1 OR { 24} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HD2 )) ASSI { 45} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HA1 )) 3.400 1.400 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.491 ppm2 3.522 CV 1 OR { 45} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 62} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) 2.900 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.458 ppm2 1.687 CV 1 OR { 62} (( segid " " and resid 149 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 75} (( segid " " and resid 70 and name HA )) ( segid " " and resid 78 and name HG2%) 3.900 1.900 1.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.458 ppm2 0.908 CV 1 OR { 75} (( segid " " and resid 70 and name HA )) ( segid " " and resid 71 and name HG1%) ASSI { 89} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HN )) 3.500 3.500 2.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.361 ppm2 8.046 CV 1 OR { 89} (( segid " " and resid 6 and name HA )) (( segid " " and resid 8 and name HN )) ASSI { 95} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HN )) 3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.344 ppm2 7.659 CV 1 OR { 95} (( segid " " and resid 146 and name HA )) (( segid " " and resid 148 and name HN )) ASSI { 116} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HN )) 2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 8.164 CV 1 OR { 116} (( segid " " and resid 151 and name HA )) (( segid " " and resid 152 and name HN )) ASSI { 117} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.194 ppm2 1.469 CV 1 OR { 117} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG1 )) OR { 117} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG2 )) ASSI { 126} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.123 ppm2 1.723 CV 1 OR { 126} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) ASSI { 127} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HG1 )) 3.200 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.124 ppm2 1.478 CV 1 OR { 127} (( segid " " and resid 150 and name HA )) (( segid " " and resid 154 and name HG2 )) ASSI { 136} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.095 ppm2 8.375 CV 1 OR { 136} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) ASSI { 139} (( segid " " and resid 124 and name HA )) (( segid " " and resid 127 and name HN )) 2.800 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.116 ppm2 8.154 CV 1 OR { 139} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HN )) ASSI { 140} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HN )) 2.900 1.100 1.100 peak 140 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.114 ppm2 7.704 CV 1 OR { 140} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HN )) ASSI { 182} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HA )) 3.100 1.200 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 4.256 CV 1 OR { 182} (( segid " " and resid 148 and name HA )) (( segid " " and resid 147 and name HA )) ASSI { 188} (( segid " " and resid 148 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.800 2.800 3.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 1.516 CV 1 OR { 188} (( segid " " and resid 68 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 191} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG12)) 2.600 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.623 ppm2 0.366 CV 1 OR { 191} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HD1%) ASSI { 216} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HG1 )) 2.700 0.900 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.028 ppm2 1.694 CV 1 OR { 216} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HG2 )) OR { 216} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HG1 )) ASSI { 235} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HB2 )) 2.200 0.600 0.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.853 ppm2 3.346 CV 1 OR { 235} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HD1 )) ASSI { 240} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HN )) 2.900 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.795 ppm2 7.955 CV 1 OR { 240} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 87 and name HN )) ASSI { 249} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 40 and name HG1%) 3.400 1.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.787 ppm2 0.877 CV 1 OR { 249} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 32 and name HG1 )) ASSI { 256} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 147 and name HB2 )) 3.400 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.708 ppm2 1.983 CV 1 OR { 256} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 13 and name HB1 )) ASSI { 262} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 154 and name HG2 )) 3.500 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.703 ppm2 1.501 CV 1 OR { 262} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 147 and name HB1 )) ASSI { 280} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 32 and name HG1 )) 3.900 1.900 1.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.582 ppm2 0.878 CV 1 OR { 280} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 40 and name HG1%) ASSI { 381} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 26 and name HA1 )) 3.000 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.285 ppm2 4.262 CV 1 OR { 381} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 29 and name HA )) OR { 381} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 29 and name HA )) ASSI { 437} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB1 )) 2.300 0.700 0.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.924 ppm2 1.527 CV 1 OR { 437} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HG2 )) ASSI { 438} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) 2.900 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.938 ppm2 4.187 CV 1 OR { 438} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) ASSI { 445} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.925 ppm2 4.275 CV 1 OR { 445} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) ASSI { 446} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HE2 )) 3.200 1.300 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.923 ppm2 3.016 CV 1 OR { 446} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HE2 )) ASSI { 490} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.849 ppm2 8.224 CV 1 OR { 490} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 497} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 155 and name HN )) 2.600 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.826 ppm2 7.865 CV 1 OR { 497} (( segid " " and resid 154 and name HB1 )) (( segid " " and resid 154 and name HN )) ASSI { 534} (( segid " " and resid 24 and name HG )) (( segid " " and resid 48 and name HA )) 3.000 3.000 3.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.671 ppm2 4.193 CV 1 OR { 534} (( segid " " and resid 24 and name HG )) (( segid " " and resid 21 and name HA )) ASSI { 564} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 14 and name HB% ) 3.900 1.900 1.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.589 ppm2 1.299 CV 1 OR { 564} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 22 and name HG2%) ASSI { 572} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HA )) 3.300 1.300 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.537 ppm2 4.191 CV 1 OR { 572} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HA )) ASSI { 579} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 120 and name HD2 )) 2.900 1.100 1.100 peak 579 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.530 ppm2 3.020 CV 1 OR { 579} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HE1 )) OR { 579} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HE2 )) ASSI { 581} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.463 ppm2 4.165 CV 1 OR { 581} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HA )) ASSI { 596} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 120 and name HD2 )) 2.700 0.900 0.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.451 ppm2 3.020 CV 1 OR { 596} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HE2 )) ASSI { 598} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HN )) 2.700 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.446 ppm2 7.847 CV 1 OR { 598} (( segid " " and resid 154 and name HG2 )) (( segid " " and resid 155 and name HN )) ASSI { 621} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HE1 )) 2.900 1.000 1.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.376 ppm2 2.977 CV 1 OR { 621} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HE1 )) OR { 621} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HE2 )) ASSI { 623} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 108 and name HN )) 3.300 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.360 ppm2 6.839 CV 1 OR { 623} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HN )) ASSI { 642} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 108 and name HA )) 3.700 1.700 1.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 5.113 CV 1 OR { 642} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 12 and name HA )) ASSI { 644} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HG1 )) 2.200 2.200 3.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.353 ppm2 1.140 CV 1 OR { 644} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HG1 )) ASSI { 688} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HG1 )) 3.700 1.700 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.300 ppm2 1.582 CV 1 OR { 688} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 19 and name HB% ) ASSI { 737} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HA )) 3.500 1.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.198 ppm2 5.177 CV 1 OR { 737} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 98 and name HA )) ASSI { 742} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 101 and name HB1 )) 3.300 1.400 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.198 ppm2 2.556 CV 1 OR { 742} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 746} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 78 and name HG2%) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.198 ppm2 0.925 CV 1 OR { 746} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HG )) ASSI { 761} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 21 and name HB1 )) 3.400 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.154 ppm2 1.970 CV 1 OR { 761} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 114 and name HB1 )) ASSI { 765} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 98 and name HN )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.155 ppm2 8.891 CV 1 OR { 765} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 783} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 77 and name HA )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.133 ppm2 5.146 CV 1 OR { 783} ( segid " " and resid 24 and name HD2%) (( segid " " and resid 53 and name HA )) ASSI { 811} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 68 and name HG11)) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.139 ppm2 0.871 CV 1 OR { 811} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 71 and name HG1%) ASSI { 816} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 119 and name HN )) 2.200 2.200 3.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.135 ppm2 8.932 CV 1 OR { 816} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 81 and name HN )) ASSI { 886} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 110 and name HB2 )) 3.000 1.100 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.119 ppm2 1.590 CV 1 OR { 886} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 108 and name HB2 )) ASSI { 895} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.050 ppm2 3.513 CV 1 OR { 895} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 60 and name HA1 )) ASSI { 910} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 27 and name HB2 )) 3.800 1.800 1.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.040 ppm2 2.819 CV 1 OR { 910} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 45 and name HA2 )) ASSI { 951} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name HN )) 2.900 1.100 1.100 peak 951 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.933 ppm2 9.674 CV 1 OR { 951} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 99 and name HN )) ASSI { 960} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 15 and name HA )) 3.400 1.500 1.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.915 ppm2 4.554 CV 1 OR { 960} ( segid " " and resid 12 and name HG1%) (( segid " " and resid 14 and name HA )) ASSI { 998} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 2.800 1.000 1.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.911 ppm2 3.981 CV 1 OR { 998} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 37 and name HB )) ASSI { 1007} (( segid " " and resid 77 and name HG )) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 8.751 CV 1 OR { 1007} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 33 and name HN )) ASSI { 1017} (( segid " " and resid 77 and name HG )) (( segid " " and resid 71 and name HA )) 3.000 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.896 ppm2 4.362 CV 1 OR { 1017} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 143 and name HA )) ASSI { 1022} (( segid " " and resid 77 and name HG )) (( segid " " and resid 72 and name HB1 )) 2.300 2.300 3.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.897 ppm2 2.453 CV 1 OR { 1022} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 150 and name HG1 )) ASSI { 1025} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HG2 )) 2.100 0.500 0.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.897 ppm2 1.546 CV 1 OR { 1025} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD2%) ASSI { 1045} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 77 and name HD2%) 3.300 1.300 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.900 ppm2 1.556 CV 1 OR { 1045} ( segid " " and resid 102 and name HG1%) ( segid " " and resid 103 and name HB% ) ASSI { 1047} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 38 and name HN )) 3.400 1.400 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.888 ppm2 9.387 CV 1 OR { 1047} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HN )) ASSI { 1080} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 40 and name HB )) 2.800 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.873 ppm2 1.965 CV 1 OR { 1080} ( segid " " and resid 141 and name HD2%) (( segid " " and resid 141 and name HB1 )) ASSI { 1143} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.831 ppm2 4.884 CV 1 OR { 1143} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 80 and name HA2 )) ASSI { 1147} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 54 and name HN )) 3.500 1.500 1.500 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.830 ppm2 8.399 CV 1 OR { 1147} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 68 and name HN )) ASSI { 1169} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 93 and name HD21)) 3.200 3.200 2.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.811 ppm2 7.577 CV 1 OR { 1169} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 81 and name HD1 )) ASSI { 1211} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 11 and name HN )) 3.200 1.300 1.300 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.746 ppm2 8.462 CV 1 OR { 1211} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 145 and name HN )) ASSI { 1241} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 140 and name HN )) 3.300 1.400 1.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.675 ppm2 8.042 CV 1 OR { 1241} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 1251} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 79 and name HN )) 3.100 1.200 1.200 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.704 ppm2 8.722 CV 1 OR { 1251} ( segid " " and resid 78 and name HG1%) (( segid " " and resid 69 and name HN )) ASSI { 1273} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 149 and name HN )) 2.900 1.100 1.100 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.667 ppm2 8.174 CV 1 OR { 1273} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 151 and name HN )) ASSI { 1330} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 85 and name HA1 )) 3.200 1.300 1.300 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.423 ppm2 3.597 CV 1 OR { 1330} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 86 and name HB2 )) ASSI { 1348} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 149 and name HB2 )) 2.200 2.200 3.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.374 ppm2 2.854 CV 1 OR { 1348} ( segid " " and resid 148 and name HD1%) (( segid " " and resid 146 and name HB2 )) ASSI { 1411} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HN )) 3.300 1.400 1.400 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.180 ppm2 8.898 CV 1 OR { 1411} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 100 and name HN )) ASSI { 1441} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 68 and name HB )) 2.500 2.500 3.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.168 ppm2 1.506 CV 1 OR { 1441} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 83 and name HB1 )) ASSI { 1452} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 99 and name HA )) 3.500 1.500 1.500 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.042 ppm2 4.747 CV 1 OR { 1452} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 8 and name HA )) ASSI { 1480} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 77 and name HA )) 3.300 1.400 1.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.127 ppm2 5.142 CV 1 OR { 1480} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 98 and name HA )) ASSI { 1495} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 101 and name HB1 )) 3.400 3.400 2.600 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 2.501 CV 1 OR { 1495} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 112 and name HB1 )) ASSI { 1498} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 76 and name HG2%) 3.400 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 -0.377 ppm2 1.203 CV 1 OR { 1498} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 113 and name HB )) ASSI { 1613} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HG1 )) 2.600 0.900 0.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.149 ppm2 1.521 CV 1 OR { 1613} (( segid " " and resid 138 and name HA )) (( segid " " and resid 141 and name HB2 )) ASSI { 1624} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.448 ppm2 3.983 CV 1 OR { 1624} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB )) ASSI { 1625} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HG2%) 2.900 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.449 ppm2 0.914 CV 1 OR { 1625} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 1637} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.857 ppm2 8.224 CV 1 OR { 1637} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1638} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HE1 )) 3.700 1.700 1.700 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.858 ppm2 2.993 CV 1 OR { 1638} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HB2 )) ASSI { 1670} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 2.400 0.700 0.700 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.314 ppm2 8.818 CV 1 OR { 1670} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 1705} (( segid " " and resid 100 and name HA )) ( segid " " and resid 76 and name HG2%) 2.400 2.400 3.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.294 ppm2 1.220 CV 1 OR { 1705} (( segid " " and resid 100 and name HA )) ( segid " " and resid 100 and name HG2%) ASSI { 1770} (( segid " " and resid 76 and name HB )) ( segid " " and resid 78 and name HG2%) 3.000 1.100 1.100 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 0.913 CV 1 OR { 1770} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HG )) ASSI { 1779} (( segid " " and resid 100 and name HB )) ( segid " " and resid 111 and name HG2%) 3.300 1.400 1.400 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.922 ppm2 0.899 CV 1 OR { 1779} (( segid " " and resid 100 and name HB )) ( segid " " and resid 102 and name HG2%) ASSI { 1792} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HN )) 2.600 0.900 0.900 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.585 ppm2 9.003 CV 1 OR { 1792} (( segid " " and resid 137 and name HA )) (( segid " " and resid 141 and name HN )) ASSI { 1798} (( segid " " and resid 113 and name HA )) (( segid " " and resid 100 and name HN )) 2.600 0.900 0.900 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.529 ppm2 8.892 CV 1 OR { 1798} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HN )) ASSI { 1827} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.516 ppm2 8.210 CV 1 OR { 1827} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) ASSI { 1865} (( segid " " and resid 20 and name HA )) ( segid " " and resid 77 and name HD2%) 2.900 1.100 1.100 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.185 ppm2 1.579 CV 1 OR { 1865} (( segid " " and resid 20 and name HA )) ( segid " " and resid 19 and name HB% ) ASSI { 1883} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.116 ppm2 8.252 CV 1 OR { 1883} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 1891} (( segid " " and resid 79 and name HA )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.497 ppm2 8.725 CV 1 OR { 1891} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HN )) ASSI { 1892} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HN )) 3.000 1.200 1.200 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.510 ppm2 8.240 CV 1 OR { 1892} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HN )) ASSI { 1893} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB2 )) 2.800 0.900 0.900 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.505 ppm2 2.895 CV 1 OR { 1893} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HD1 )) ASSI { 1899} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HG2 )) 3.000 1.100 1.100 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.662 ppm2 1.300 CV 1 OR { 1899} (( segid " " and resid 13 and name HA )) (( segid " " and resid 108 and name HG1 )) ASSI { 1909} (( segid " " and resid 51 and name HA1 )) (( segid " " and resid 68 and name HG11)) 3.300 1.400 1.400 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.973 ppm2 0.864 CV 1 OR { 1909} (( segid " " and resid 51 and name HA1 )) ( segid " " and resid 71 and name HG1%) ASSI { 1910} (( segid " " and resid 51 and name HA1 )) (( segid " " and resid 52 and name HN )) 3.400 1.400 1.400 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.971 ppm2 8.677 CV 1 OR { 1910} (( segid " " and resid 51 and name HA1 )) (( segid " " and resid 50 and name HN )) ASSI { 1942} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.521 ppm2 4.512 CV 1 OR { 1942} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 25 and name HA )) ASSI { 1988} (( segid " " and resid 40 and name HB )) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.938 ppm2 8.219 CV 1 OR { 1988} (( segid " " and resid 40 and name HB )) (( segid " " and resid 41 and name HN )) ASSI { 2000} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HN )) 3.000 1.100 1.100 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.570 ppm2 7.957 CV 1 OR { 2000} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 87 and name HN )) ASSI { 2010} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 3.000 1.100 1.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.842 ppm2 8.267 CV 1 OR { 2010} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) ASSI { 2011} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 16 and name HN )) 2.900 1.100 1.100 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.157 ppm2 8.269 CV 1 OR { 2011} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HN )) ASSI { 2012} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.252 ppm2 4.908 CV 1 OR { 2012} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 2043} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG1 )) 3.200 1.300 1.300 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.455 ppm2 1.443 CV 1 OR { 2043} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 73 and name HG2 )) ASSI { 2068} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 5.113 ppm2 2.951 CV 1 OR { 2068} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HA )) ASSI { 2093} (( segid " " and resid 15 and name HA )) ( segid " " and resid 19 and name HB% ) 3.400 1.500 1.500 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.550 ppm2 1.614 CV 1 OR { 2093} (( segid " " and resid 15 and name HA )) (( segid " " and resid 108 and name HB2 )) ASSI { 2205} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HN )) 2.800 1.000 1.000 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.321 ppm2 7.842 CV 1 OR { 2205} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HN )) ASSI { 2220} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HN )) 2.700 0.900 0.900 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.234 ppm2 7.645 CV 1 OR { 2220} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HN )) ASSI { 2252} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.600 0.800 0.800 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.987 ppm2 2.865 CV 1 OR { 2252} (( segid " " and resid 95 and name HA )) (( segid " " and resid 118 and name HB1 )) ASSI { 2296} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 2.500 0.800 0.800 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.116 ppm2 2.219 CV 1 OR { 2296} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG2 )) OR { 2296} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HB1 )) ASSI { 2339} (( segid " " and resid 71 and name HA )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.370 ppm2 5.151 CV 1 OR { 2339} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HA )) ASSI { 2411} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HN )) 2.900 1.000 1.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.006 ppm2 8.057 CV 1 OR { 2411} (( segid " " and resid 139 and name HA )) (( segid " " and resid 142 and name HN )) ASSI { 2451} (( segid " " and resid 11 and name HB )) (( segid " " and resid 110 and name HB2 )) 3.500 3.500 2.500 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.945 ppm2 1.598 CV 1 OR { 2451} (( segid " " and resid 11 and name HB )) (( segid " " and resid 108 and name HB2 )) ASSI { 2521} (( segid " " and resid 27 and name HA )) (( segid " " and resid 26 and name HA1 )) 3.100 1.200 1.200 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.952 ppm2 4.269 CV 1 OR { 2521} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HA )) ASSI { 2526} (( segid " " and resid 145 and name HA )) (( segid " " and resid 142 and name HA )) 3.800 1.800 1.800 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.353 ppm2 4.116 CV 1 OR { 2526} (( segid " " and resid 145 and name HA )) (( segid " " and resid 18 and name HB )) ASSI { 2560} (( segid " " and resid 101 and name HA )) ( segid " " and resid 111 and name HG2%) 3.100 1.200 1.200 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 4.997 ppm2 0.896 CV 1 OR { 2560} (( segid " " and resid 101 and name HA )) ( segid " " and resid 102 and name HG2%) ASSI { 2648} (( segid " " and resid 51 and name HA2 )) (( segid " " and resid 52 and name HN )) 2.500 2.500 3.500 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.820 ppm2 8.663 CV 1 OR { 2648} (( segid " " and resid 51 and name HA2 )) (( segid " " and resid 50 and name HN )) ASSI { 2663} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 41 and name HA2 )) 2.300 2.300 3.700 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 3.720 ppm2 4.135 CV 1 OR { 2663} (( segid " " and resid 50 and name HA1 )) (( segid " " and resid 50 and name HA2 )) ASSI { 2681} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 70 and name HG1 )) 3.000 1.200 1.200 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 2.944 ppm2 1.189 CV 1 OR { 2681} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 76 and name HG2%) ASSI { 2715} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.600 0.800 0.800 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.782 ppm2 8.171 CV 1 OR { 2715} (( segid " " and resid 148 and name HB )) (( segid " " and resid 149 and name HN )) OR { 2715} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HN )) ASSI { 2744} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.937 ppm2 8.218 CV 1 OR { 2744} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) OR { 2744} (( segid " " and resid 40 and name HB )) (( segid " " and resid 40 and name HN )) ASSI { 2755} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 114 and name HN )) 3.700 1.700 1.700 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 0.795 ppm2 8.663 CV 1 OR { 2755} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 112 and name HN )) ASSI { 2767} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 40 and name HN )) 2.900 1.000 1.000 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.018 ppm2 8.191 CV 1 OR { 2767} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 41 and name HN )) ASSI { 2799} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 20 and name HD% ) 3.500 3.500 2.500 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.25737E-02 ppm1 1.156 ppm2 7.074 CV 1 OR { 2799} ( segid " " and resid 98 and name HG2%) ( segid " " and resid 101 and name HD% ) OR { 2799} ( segid " " and resid 98 and name HG2%) ( segid " " and resid 20 and name HD% )
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