NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
4665 | 1fho | 4373 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!!! unambiguous restraints ASSI { 8} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) 2.400 0.700 0.700 peak 8 weight 0.10000E+01 volume 0.57340E+06 ppm1 4.056 ppm2 1.877 ASSI { 9} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.100 2.100 3.400 peak 9 weight 0.10000E+01 volume 0.13340E+07 ppm1 4.056 ppm2 1.617 ASSI { 10} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB3 )) 2.500 0.800 0.800 peak 10 weight 0.10000E+01 volume 0.48360E+06 ppm1 4.056 ppm2 1.757 ASSI { 11} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HG3 )) 2.600 0.800 0.800 peak 11 weight 0.10000E+01 volume 0.37460E+06 ppm1 4.056 ppm2 2.040 OR { 11} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HG2 )) ASSI { 16} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HB2 )) 1.600 1.600 3.900 peak 16 weight 0.10000E+01 volume 0.69710E+07 ppm1 1.882 ppm2 1.617 OR { 16} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HB3 )) ASSI { 19} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 102 and name HA )) 2.600 0.800 0.800 peak 19 weight 0.10000E+01 volume 0.38210E+06 ppm1 1.798 ppm2 3.736 OR { 19} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 102 and name HA )) ASSI { 20} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HB% ) 2.000 0.500 0.500 peak 20 weight 0.10000E+01 volume 0.16370E+07 ppm1 4.098 ppm2 1.274 ASSI { 29} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name HA )) 5.500 3.800 0.000 peak 29 weight 0.10000E+01 volume -0.10670E+07 ppm1 3.962 ppm2 4.101 ASSI { 30} ( segid " " and resid 115 and name HB% ) (( segid " " and resid 115 and name HA )) 1.800 0.400 0.400 peak 30 weight 0.10000E+01 volume 0.33470E+07 ppm1 1.284 ppm2 3.946 ASSI { 34} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB3 )) 2.200 0.600 0.600 peak 34 weight 0.10000E+01 volume 0.10820E+07 ppm1 4.195 ppm2 2.919 OR { 34} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) ASSI { 35} (( segid " " and resid 114 and name HA )) ( segid " " and resid 114 and name HD% ) 2.400 0.700 0.700 peak 35 weight 0.10000E+01 volume 0.70300E+06 ppm1 4.195 ppm2 6.950 ASSI { 38} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HD2 )) 2.400 0.700 0.700 peak 38 weight 0.10000E+01 volume 0.60650E+06 ppm1 3.929 ppm2 1.627 ASSI { 43} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 111 and name HG2 )) 2.400 2.400 3.100 peak 43 weight 0.10000E+01 volume 0.65650E+06 ppm1 1.943 ppm2 2.462 OR { 43} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 111 and name HG3 )) OR { 43} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 111 and name HG3 )) ASSI { 44} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 2.200 2.200 3.300 peak 44 weight 0.10000E+01 volume 0.93640E+06 ppm1 1.943 ppm2 2.294 ASSI { 46} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB3 )) 2.000 0.500 0.500 peak 46 weight 0.10000E+01 volume 0.19440E+07 ppm1 3.951 ppm2 1.971 OR { 46} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) ASSI { 51} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HG2 )) 1.800 0.400 0.400 peak 51 weight 0.10000E+01 volume 0.35930E+07 ppm1 1.978 ppm2 2.239 OR { 51} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HG3 )) OR { 51} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HG2 )) ASSI { 53} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 106 and name HA )) 2.700 2.700 2.800 peak 53 weight 0.10000E+01 volume 0.29620E+06 ppm1 1.978 ppm2 4.255 OR { 53} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 106 and name HA )) ASSI { 56} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG2 )) 2.700 0.900 0.900 peak 56 weight 0.10000E+01 volume 0.32560E+06 ppm1 4.054 ppm2 2.459 OR { 56} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG3 )) ASSI { 57} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 2.200 0.600 0.600 peak 57 weight 0.10000E+01 volume 0.11330E+07 ppm1 4.054 ppm2 2.114 ASSI { 58} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.300 0.700 0.700 peak 58 weight 0.10000E+01 volume 0.77550E+06 ppm1 4.054 ppm2 1.918 ASSI { 60} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HG2 )) 2.600 0.800 0.800 peak 60 weight 0.10000E+01 volume 0.37270E+06 ppm1 2.180 ppm2 2.458 OR { 60} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HG3 )) ASSI { 65} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HA )) 2.200 0.600 0.600 peak 65 weight 0.10000E+01 volume 0.10980E+07 ppm1 1.993 ppm2 3.921 ASSI { 67} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 67 weight 0.10000E+01 volume 0.26810E+06 ppm1 1.992 ppm2 4.255 ASSI { 68} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HB3 )) 1.600 0.300 0.600 peak 68 weight 0.10000E+01 volume 0.67090E+07 ppm1 1.971 ppm2 1.664 ASSI { 75} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 108 and name HA )) 1.900 0.500 0.500 peak 75 weight 0.10000E+01 volume 0.22240E+07 ppm1 1.414 ppm2 4.094 ASSI { 76} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 105 and name HA )) 2.200 2.200 3.300 peak 76 weight 0.10000E+01 volume 0.10050E+07 ppm1 1.414 ppm2 3.924 ASSI { 80} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG13)) 2.500 0.800 0.800 peak 80 weight 0.10000E+01 volume 0.54230E+06 ppm1 3.331 ppm2 1.875 OR { 80} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG12)) ASSI { 81} (( segid " " and resid 107 and name HB )) ( segid " " and resid 107 and name HG2%) 2.000 0.500 0.500 peak 81 weight 0.10000E+01 volume 0.18990E+07 ppm1 1.703 ppm2 0.708 ASSI { 83} (( segid " " and resid 107 and name HB )) (( segid " " and resid 104 and name HA )) 2.900 1.100 1.100 peak 83 weight 0.10000E+01 volume 0.19290E+06 ppm1 1.703 ppm2 3.860 ASSI { 84} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB3 )) 2.000 0.500 0.500 peak 84 weight 0.10000E+01 volume 0.20330E+07 ppm1 4.250 ppm2 2.035 OR { 84} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB2 )) ASSI { 88} (( segid " " and resid 106 and name HB3 )) ( segid " " and resid 11 and name HG2%) 3.000 1.100 1.100 peak 88 weight 0.10000E+01 volume 0.17740E+06 ppm1 2.069 ppm2 0.501 OR { 88} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 11 and name HG2%) ASSI { 92} (( segid " " and resid 97 and name HA )) (( segid " " and resid 101 and name HB3 )) 2.500 2.500 3.000 peak 92 weight 0.10000E+01 volume 0.45270E+06 ppm1 3.923 ppm2 1.577 ASSI { 93} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HA )) 2.100 0.600 0.600 peak 93 weight 0.10000E+01 volume 0.12750E+07 ppm1 1.752 ppm2 3.919 OR { 93} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 105 and name HA )) ASSI { 95} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 104 and name HD2%) 2.400 2.400 3.100 peak 95 weight 0.10000E+01 volume 0.68170E+06 ppm1 1.752 ppm2 0.691 OR { 95} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 104 and name HD1%) OR { 95} (( segid " " and resid 105 and name HB3 )) ( segid " " and resid 104 and name HD2%) OR { 95} (( segid " " and resid 105 and name HB3 )) ( segid " " and resid 104 and name HD1%) ASSI { 96} (( segid " " and resid 104 and name HA )) ( segid " " and resid 104 and name HD1%) 2.100 2.100 3.400 peak 96 weight 0.10000E+01 volume 0.14890E+07 ppm1 3.903 ppm2 0.696 ASSI { 97} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB3 )) 2.200 2.200 3.300 peak 97 weight 0.10000E+01 volume 0.10750E+07 ppm1 3.903 ppm2 1.313 ASSI { 99} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HD2 )) 1.900 1.900 3.600 peak 99 weight 0.10000E+01 volume 0.26670E+07 ppm1 3.903 ppm2 1.630 OR { 99} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HD3 )) ASSI { 100} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB3 )) 2.100 0.600 0.600 peak 100 weight 0.10000E+01 volume 0.13350E+07 ppm1 1.746 ppm2 1.320 ASSI { 103} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 103 weight 0.10000E+01 volume 0.34950E+06 ppm1 1.746 ppm2 3.873 ASSI { 105} (( segid " " and resid 104 and name HB3 )) ( segid " " and resid 104 and name HD1%) 2.300 0.700 0.700 peak 105 weight 0.10000E+01 volume 0.90600E+06 ppm1 1.329 ppm2 0.703 ASSI { 107} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB3 )) 2.900 1.100 1.100 peak 107 weight 0.10000E+01 volume 0.22300E+06 ppm1 3.470 ppm2 2.737 ASSI { 108} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 108 weight 0.10000E+01 volume 0.28760E+06 ppm1 3.470 ppm2 3.093 ASSI { 113} ( segid " " and resid 102 and name HB% ) (( segid " " and resid 102 and name HA )) 2.000 0.500 0.500 peak 113 weight 0.10000E+01 volume 0.19200E+07 ppm1 1.042 ppm2 3.742 ASSI { 114} ( segid " " and resid 102 and name HB% ) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 114 weight 0.10000E+01 volume 0.48810E+06 ppm1 1.042 ppm2 3.471 ASSI { 117} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.100 2.100 3.400 peak 117 weight 0.10000E+01 volume 0.14270E+07 ppm1 3.731 ppm2 1.738 ASSI { 119} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG2 )) 1.900 0.500 0.500 peak 119 weight 0.10000E+01 volume 0.25950E+07 ppm1 1.701 ppm2 1.220 ASSI { 121} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HA )) 2.600 0.800 0.800 peak 121 weight 0.10000E+01 volume 0.38570E+06 ppm1 1.583 ppm2 3.716 ASSI { 122} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.000 0.500 0.500 peak 122 weight 0.10000E+01 volume 0.18530E+07 ppm1 3.765 ppm2 1.884 OR { 122} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB3 )) ASSI { 124} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 99 and name HA )) 2.400 2.400 3.100 peak 124 weight 0.10000E+01 volume 0.69920E+06 ppm1 1.883 ppm2 3.482 OR { 124} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 99 and name HA )) ASSI { 127} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 97 and name HB3 )) 1.500 1.500 4.000 peak 127 weight 0.10000E+01 volume 0.90720E+07 ppm1 1.890 ppm2 1.682 ASSI { 128} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HG2 )) 5.500 3.800 0.000 peak 128 weight 0.10000E+01 volume -0.14400E+07 ppm1 1.890 ppm2 1.517 ASSI { 130} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HG1%) 2.300 0.700 0.700 peak 130 weight 0.10000E+01 volume 0.85260E+06 ppm1 3.469 ppm2 0.930 ASSI { 131} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HG2%) 2.500 0.800 0.800 peak 131 weight 0.10000E+01 volume 0.46910E+06 ppm1 3.469 ppm2 0.465 ASSI { 137} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 98 and name HD% ) 2.200 0.600 0.600 peak 137 weight 0.10000E+01 volume 0.97850E+06 ppm1 2.958 ppm2 6.940 OR { 137} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 98 and name HD% ) ASSI { 140} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 1.900 1.900 3.600 peak 140 weight 0.10000E+01 volume 0.27100E+07 ppm1 3.903 ppm2 1.932 ASSI { 146} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 97 and name HA )) 2.600 0.800 0.800 peak 146 weight 0.10000E+01 volume 0.39230E+06 ppm1 1.676 ppm2 3.882 ASSI { 149} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HB2 )) 1.500 0.300 0.700 peak 149 weight 0.10000E+01 volume 0.90490E+07 ppm1 3.715 ppm2 3.763 ASSI { 150} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HA )) 2.900 1.100 1.100 peak 150 weight 0.10000E+01 volume 0.19260E+06 ppm1 3.715 ppm2 4.113 OR { 150} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HA )) ASSI { 151} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG2%) 2.200 0.600 0.600 peak 151 weight 0.10000E+01 volume 0.10690E+07 ppm1 4.511 ppm2 0.917 ASSI { 153} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB3 )) 2.500 0.800 0.800 peak 153 weight 0.10000E+01 volume 0.44590E+06 ppm1 4.161 ppm2 2.900 ASSI { 154} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.500 0.800 0.800 peak 154 weight 0.10000E+01 volume 0.47070E+06 ppm1 4.161 ppm2 3.151 ASSI { 156} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HB3 )) 1.900 0.500 0.500 peak 156 weight 0.10000E+01 volume 0.26320E+07 ppm1 3.145 ppm2 2.901 ASSI { 158} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 93 and name HD% ) 2.800 1.000 1.000 peak 158 weight 0.10000E+01 volume 0.24940E+06 ppm1 3.145 ppm2 7.117 ASSI { 161} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD% ) 2.600 0.800 0.800 peak 161 weight 0.10000E+01 volume 0.42210E+06 ppm1 2.904 ppm2 7.107 ASSI { 163} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HE% ) 2.600 2.600 2.900 peak 163 weight 0.10000E+01 volume 0.41190E+06 ppm1 2.904 ppm2 6.949 ASSI { 164} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.500 0.800 0.800 peak 164 weight 0.10000E+01 volume 0.53340E+06 ppm1 4.531 ppm2 2.520 ASSI { 167} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB3 )) 2.700 0.900 0.900 peak 167 weight 0.10000E+01 volume 0.28800E+06 ppm1 4.531 ppm2 2.290 ASSI { 171} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 1.800 0.400 0.400 peak 171 weight 0.10000E+01 volume 0.36940E+07 ppm1 2.527 ppm2 2.305 ASSI { 172} (( segid " " and resid 81 and name HD3 )) (( segid " " and resid 80 and name HB2 )) 1.900 1.900 3.600 peak 172 weight 0.10000E+01 volume 0.29270E+07 ppm1 3.645 ppm2 1.887 OR { 172} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 80 and name HB2 )) ASSI { 174} (( segid " " and resid 81 and name HD3 )) (( segid " " and resid 82 and name HA2 )) 1.700 1.700 3.800 peak 174 weight 0.10000E+01 volume 0.58790E+07 ppm1 3.645 ppm2 3.505 OR { 174} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 82 and name HA2 )) ASSI { 181} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HB2 )) 2.300 0.700 0.700 peak 181 weight 0.10000E+01 volume 0.73150E+06 ppm1 1.082 ppm2 1.245 ASSI { 184} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB2 )) 2.700 0.900 0.900 peak 184 weight 0.10000E+01 volume 0.31700E+06 ppm1 5.390 ppm2 1.886 ASSI { 186} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB3 )) 2.900 1.100 1.100 peak 186 weight 0.10000E+01 volume 0.20240E+06 ppm1 5.390 ppm2 1.829 ASSI { 188} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB )) 2.400 0.700 0.700 peak 188 weight 0.10000E+01 volume 0.69920E+06 ppm1 5.911 ppm2 1.290 ASSI { 189} (( segid " " and resid 88 and name HA )) ( segid " " and resid 88 and name HG2%) 2.300 0.700 0.700 peak 189 weight 0.10000E+01 volume 0.90390E+06 ppm1 5.911 ppm2 0.585 ASSI { 190} (( segid " " and resid 88 and name HA )) (( segid " " and resid 18 and name HA )) 2.800 2.800 2.700 peak 190 weight 0.10000E+01 volume 0.25300E+06 ppm1 5.911 ppm2 4.811 ASSI { 191} (( segid " " and resid 88 and name HA )) ( segid " " and resid 18 and name HG1%) 2.900 2.900 2.600 peak 191 weight 0.10000E+01 volume 0.20490E+06 ppm1 5.911 ppm2 0.686 ASSI { 196} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB3 )) 2.400 0.700 0.700 peak 196 weight 0.10000E+01 volume 0.69000E+06 ppm1 5.238 ppm2 1.363 ASSI { 198} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB2 )) 2.800 1.000 1.000 peak 198 weight 0.10000E+01 volume 0.25060E+06 ppm1 5.238 ppm2 1.621 ASSI { 199} (( segid " " and resid 87 and name HA )) ( segid " " and resid 76 and name HD1%) 2.900 1.100 1.100 peak 199 weight 0.10000E+01 volume 0.22630E+06 ppm1 5.238 ppm2 0.538 ASSI { 201} (( segid " " and resid 87 and name HA )) (( segid " " and resid 75 and name HA )) 2.300 0.700 0.700 peak 201 weight 0.10000E+01 volume 0.89350E+06 ppm1 5.238 ppm2 4.393 ASSI { 206} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB2 )) 2.200 0.600 0.600 peak 206 weight 0.10000E+01 volume 0.99730E+06 ppm1 5.718 ppm2 2.631 OR { 206} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB3 )) ASSI { 207} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD% ) 2.600 2.600 2.900 peak 207 weight 0.10000E+01 volume 0.36820E+06 ppm1 5.718 ppm2 6.605 ASSI { 210} (( segid " " and resid 86 and name HB3 )) ( segid " " and resid 76 and name HD1%) 2.300 2.300 3.200 peak 210 weight 0.10000E+01 volume 0.75310E+06 ppm1 2.647 ppm2 0.546 OR { 210} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 76 and name HD1%) ASSI { 211} (( segid " " and resid 86 and name HB3 )) ( segid " " and resid 86 and name HD% ) 2.500 0.800 0.800 peak 211 weight 0.10000E+01 volume 0.44250E+06 ppm1 2.647 ppm2 6.601 OR { 211} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD% ) ASSI { 214} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB3 )) 1.900 0.500 0.500 peak 214 weight 0.10000E+01 volume 0.22640E+07 ppm1 4.865 ppm2 3.733 OR { 214} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) ASSI { 225} (( segid " " and resid 75 and name HB )) (( segid " " and resid 87 and name HB3 )) 2.100 2.100 3.400 peak 225 weight 0.10000E+01 volume 0.12400E+07 ppm1 1.886 ppm2 1.366 ASSI { 226} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HG2%) 2.400 0.700 0.700 peak 226 weight 0.10000E+01 volume 0.67330E+06 ppm1 4.178 ppm2 0.530 ASSI { 228} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) 2.400 0.700 0.700 peak 228 weight 0.10000E+01 volume 0.67220E+06 ppm1 4.178 ppm2 0.689 ASSI { 231} (( segid " " and resid 74 and name HB )) (( segid " " and resid 74 and name HA )) 2.600 0.800 0.800 peak 231 weight 0.10000E+01 volume 0.37060E+06 ppm1 1.521 ppm2 4.169 ASSI { 234} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HG2%) 2.300 0.700 0.700 peak 234 weight 0.10000E+01 volume 0.79760E+06 ppm1 4.655 ppm2 0.741 ASSI { 235} (( segid " " and resid 73 and name HA )) (( segid " " and resid 89 and name HA )) 2.700 0.900 0.900 peak 235 weight 0.10000E+01 volume 0.30640E+06 ppm1 4.655 ppm2 5.386 ASSI { 237} (( segid " " and resid 73 and name HB )) (( segid " " and resid 67 and name HB3 )) 2.500 0.800 0.800 peak 237 weight 0.10000E+01 volume 0.48010E+06 ppm1 3.805 ppm2 2.454 ASSI { 238} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD2%) 2.600 2.600 2.900 peak 238 weight 0.10000E+01 volume 0.43320E+06 ppm1 4.582 ppm2 0.593 ASSI { 239} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB3 )) 2.400 0.700 0.700 peak 239 weight 0.10000E+01 volume 0.59410E+06 ppm1 4.582 ppm2 1.350 ASSI { 241} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.52360E+06 ppm1 4.582 ppm2 1.525 ASSI { 243} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD1%) 3.200 1.300 1.300 peak 243 weight 0.10000E+01 volume 0.10350E+06 ppm1 4.582 ppm2 0.668 ASSI { 249} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB3 )) 2.400 0.700 0.700 peak 249 weight 0.10000E+01 volume 0.57950E+06 ppm1 4.562 ppm2 1.998 ASSI { 250} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.300 0.700 0.700 peak 250 weight 0.10000E+01 volume 0.86770E+06 ppm1 4.562 ppm2 2.199 ASSI { 254} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB3 )) 2.000 0.500 0.500 peak 254 weight 0.10000E+01 volume 0.20880E+07 ppm1 2.193 ppm2 2.012 ASSI { 262} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.200 0.600 0.600 peak 262 weight 0.10000E+01 volume 0.11380E+07 ppm1 4.309 ppm2 1.892 ASSI { 264} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB3 )) 2.400 0.700 0.700 peak 264 weight 0.10000E+01 volume 0.59900E+06 ppm1 4.309 ppm2 1.185 ASSI { 268} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 268 weight 0.10000E+01 volume 0.57280E+06 ppm1 3.791 ppm2 3.888 ASSI { 271} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB3 )) 2.500 0.800 0.800 peak 271 weight 0.10000E+01 volume 0.47440E+06 ppm1 4.043 ppm2 2.461 ASSI { 273} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB3 )) 2.200 0.600 0.600 peak 273 weight 0.10000E+01 volume 0.11390E+07 ppm1 3.538 ppm2 2.453 ASSI { 275} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.900 2.900 2.600 peak 275 weight 0.10000E+01 volume 0.22260E+06 ppm1 3.538 ppm2 3.800 ASSI { 278} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 68 and name HA )) 2.800 2.800 2.700 peak 278 weight 0.10000E+01 volume 0.23500E+06 ppm1 2.438 ppm2 3.805 ASSI { 284} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 74 and name HD1%) 2.800 1.000 1.000 peak 284 weight 0.10000E+01 volume 0.25180E+06 ppm1 1.895 ppm2 0.672 ASSI { 285} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB2 )) 2.200 0.600 0.600 peak 285 weight 0.10000E+01 volume 0.10000E+07 ppm1 4.616 ppm2 1.821 ASSI { 286} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB3 )) 2.300 0.700 0.700 peak 286 weight 0.10000E+01 volume 0.91210E+06 ppm1 4.616 ppm2 1.549 ASSI { 287} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 287 weight 0.10000E+01 volume 0.31080E+06 ppm1 4.616 ppm2 1.355 ASSI { 290} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 80 and name HN )) 2.400 2.400 3.100 peak 290 weight 0.10000E+01 volume 0.58210E+06 ppm1 1.809 ppm2 6.904 ASSI { 291} (( segid " " and resid 65 and name HB2 )) ( segid " " and resid 75 and name HG1%) 2.100 2.100 3.400 peak 291 weight 0.10000E+01 volume 0.12460E+07 ppm1 1.809 ppm2 0.834 ASSI { 293} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HG2 )) 2.100 2.100 3.400 peak 293 weight 0.10000E+01 volume 0.13830E+07 ppm1 1.809 ppm2 1.341 ASSI { 296} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HG3 )) 1.900 0.500 0.500 peak 296 weight 0.10000E+01 volume 0.24390E+07 ppm1 1.576 ppm2 1.245 ASSI { 297} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HG2 )) 1.900 1.900 3.600 peak 297 weight 0.10000E+01 volume 0.22430E+07 ppm1 1.576 ppm2 1.362 ASSI { 298} (( segid " " and resid 65 and name HB3 )) (( segid " " and resid 65 and name HB2 )) 1.700 0.400 0.500 peak 298 weight 0.10000E+01 volume 0.49810E+07 ppm1 1.576 ppm2 1.822 ASSI { 302} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG13)) 2.600 0.800 0.800 peak 302 weight 0.10000E+01 volume 0.39110E+06 ppm1 5.100 ppm2 1.392 ASSI { 304} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HD1%) 2.700 0.900 0.900 peak 304 weight 0.10000E+01 volume 0.32050E+06 ppm1 5.100 ppm2 0.963 ASSI { 307} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) 2.100 0.600 0.600 peak 307 weight 0.10000E+01 volume 0.12830E+07 ppm1 1.590 ppm2 0.649 ASSI { 309} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 309 weight 0.10000E+01 volume 0.31250E+06 ppm1 1.590 ppm2 5.099 ASSI { 310} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HG13)) 2.800 1.000 1.000 peak 310 weight 0.10000E+01 volume 0.25810E+06 ppm1 1.590 ppm2 1.375 OR { 310} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HG12)) ASSI { 312} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB3 )) 2.100 0.600 0.600 peak 312 weight 0.10000E+01 volume 0.13390E+07 ppm1 4.927 ppm2 2.541 OR { 312} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) ASSI { 314} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 77 and name HB2 )) 2.200 0.600 0.600 peak 314 weight 0.10000E+01 volume 0.11160E+07 ppm1 2.544 ppm2 2.019 OR { 314} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 77 and name HB2 )) ASSI { 318} (( segid " " and resid 62 and name HA )) (( segid " " and resid 78 and name HA )) 2.300 2.300 3.200 peak 318 weight 0.10000E+01 volume 0.83780E+06 ppm1 4.624 ppm2 3.439 ASSI { 319} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.200 0.600 0.600 peak 319 weight 0.10000E+01 volume 0.96080E+06 ppm1 4.624 ppm2 2.540 ASSI { 320} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB3 )) 3.200 1.300 1.300 peak 320 weight 0.10000E+01 volume 0.12370E+06 ppm1 4.624 ppm2 2.342 ASSI { 321} (( segid " " and resid 62 and name HB3 )) ( segid " " and resid 62 and name HD% ) 2.400 0.700 0.700 peak 321 weight 0.10000E+01 volume 0.57310E+06 ppm1 2.353 ppm2 6.902 ASSI { 323} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB3 )) 2.300 0.700 0.700 peak 323 weight 0.10000E+01 volume 0.82180E+06 ppm1 4.316 ppm2 1.797 OR { 323} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 324} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG3 )) 2.000 0.500 0.500 peak 324 weight 0.10000E+01 volume 0.18110E+07 ppm1 4.333 ppm2 1.346 OR { 324} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG2 )) ASSI { 329} (( segid " " and resid 61 and name HB3 )) ( segid " " and resid 62 and name HD% ) 2.500 2.500 3.000 peak 329 weight 0.10000E+01 volume 0.49300E+06 ppm1 1.797 ppm2 6.920 OR { 329} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 62 and name HD% ) ASSI { 331} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HG2 )) 1.900 0.500 0.500 peak 331 weight 0.10000E+01 volume 0.22490E+07 ppm1 1.797 ppm2 1.341 OR { 331} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HG3 )) OR { 331} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HG2 )) ASSI { 334} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 334 weight 0.10000E+01 volume 0.56330E+06 ppm1 4.319 ppm2 2.660 ASSI { 339} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HB2 )) 2.000 0.500 0.500 peak 339 weight 0.10000E+01 volume 0.16550E+07 ppm1 2.223 ppm2 2.657 ASSI { 341} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HA )) 2.200 0.600 0.600 peak 341 weight 0.10000E+01 volume 0.12090E+07 ppm1 2.223 ppm2 4.329 ASSI { 344} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 344 weight 0.10000E+01 volume 0.57490E+06 ppm1 3.763 ppm2 1.390 ASSI { 347} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG )) 2.300 0.700 0.700 peak 347 weight 0.10000E+01 volume 0.78760E+06 ppm1 3.763 ppm2 0.699 ASSI { 348} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB3 )) 2.200 0.600 0.600 peak 348 weight 0.10000E+01 volume 0.10180E+07 ppm1 4.488 ppm2 1.577 ASSI { 349} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG3 )) 2.500 2.500 3.000 peak 349 weight 0.10000E+01 volume 0.45200E+06 ppm1 4.488 ppm2 2.084 OR { 349} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG2 )) ASSI { 350} (( segid " " and resid 58 and name HA )) (( segid " " and resid 36 and name HA )) 2.700 2.700 2.800 peak 350 weight 0.10000E+01 volume 0.31840E+06 ppm1 4.488 ppm2 5.198 ASSI { 351} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 2.900 1.100 1.100 peak 351 weight 0.10000E+01 volume 0.22460E+06 ppm1 4.488 ppm2 1.667 ASSI { 355} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HG2 )) 2.200 0.600 0.600 peak 355 weight 0.10000E+01 volume 0.10070E+07 ppm1 1.560 ppm2 2.098 OR { 355} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HG3 )) OR { 355} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HG3 )) ASSI { 356} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HD2 )) 2.800 1.000 1.000 peak 356 weight 0.10000E+01 volume 0.27700E+06 ppm1 1.560 ppm2 2.958 OR { 356} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HD3 )) OR { 356} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HD2 )) ASSI { 358} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HG2%) 2.400 0.700 0.700 peak 358 weight 0.10000E+01 volume 0.62680E+06 ppm1 4.641 ppm2 0.656 ASSI { 364} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HA )) 2.500 0.800 0.800 peak 364 weight 0.10000E+01 volume 0.48120E+06 ppm1 1.572 ppm2 4.642 ASSI { 366} (( segid " " and resid 13 and name HA )) ( segid " " and resid 31 and name HD% ) 2.600 0.800 0.800 peak 366 weight 0.10000E+01 volume 0.38550E+06 ppm1 5.574 ppm2 6.981 ASSI { 367} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.600 0.800 0.800 peak 367 weight 0.10000E+01 volume 0.39420E+06 ppm1 5.574 ppm2 2.480 ASSI { 368} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB3 )) 2.800 1.000 1.000 peak 368 weight 0.10000E+01 volume 0.25520E+06 ppm1 5.574 ppm2 1.921 ASSI { 369} (( segid " " and resid 13 and name HA )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 369 weight 0.10000E+01 volume 0.23810E+06 ppm1 5.574 ppm2 4.906 ASSI { 370} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 370 weight 0.10000E+01 volume 0.38310E+06 ppm1 3.632 ppm2 5.539 ASSI { 374} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 374 weight 0.10000E+01 volume 0.43810E+06 ppm1 3.559 ppm2 5.541 ASSI { 378} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 51 and name HD% ) 2.400 0.700 0.700 peak 378 weight 0.10000E+01 volume 0.60540E+06 ppm1 2.702 ppm2 6.842 ASSI { 379} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 41 and name HB2 )) 2.100 2.100 3.400 peak 379 weight 0.10000E+01 volume 0.13650E+07 ppm1 2.702 ppm2 2.030 ASSI { 383} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) 2.300 0.700 0.700 peak 383 weight 0.10000E+01 volume 0.87170E+06 ppm1 4.432 ppm2 3.597 OR { 383} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB3 )) ASSI { 392} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) 2.100 0.600 0.600 peak 392 weight 0.10000E+01 volume 0.14120E+07 ppm1 4.214 ppm2 3.971 ASSI { 395} (( segid " " and resid 46 and name HB )) ( segid " " and resid 46 and name HG2%) 1.900 0.500 0.500 peak 395 weight 0.10000E+01 volume 0.24620E+07 ppm1 4.019 ppm2 0.856 ASSI { 399} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.100 0.600 0.600 peak 399 weight 0.10000E+01 volume 0.12620E+07 ppm1 4.066 ppm2 3.757 ASSI { 400} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB3 )) 2.300 2.300 3.200 peak 400 weight 0.10000E+01 volume 0.83880E+06 ppm1 4.066 ppm2 3.689 ASSI { 403} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 93 and name HA )) 2.600 2.600 2.900 peak 403 weight 0.10000E+01 volume 0.35410E+06 ppm1 3.758 ppm2 4.159 ASSI { 404} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HB% ) 2.200 0.600 0.600 peak 404 weight 0.10000E+01 volume 0.10320E+07 ppm1 4.156 ppm2 1.192 ASSI { 416} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HG2%) 2.700 0.900 0.900 peak 416 weight 0.10000E+01 volume 0.33920E+06 ppm1 4.835 ppm2 -0.166 ASSI { 417} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HD1%) 2.900 1.100 1.100 peak 417 weight 0.10000E+01 volume 0.19130E+06 ppm1 4.835 ppm2 0.418 ASSI { 419} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB3 )) 2.400 0.700 0.700 peak 419 weight 0.10000E+01 volume 0.63790E+06 ppm1 5.222 ppm2 1.381 ASSI { 420} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.400 0.700 0.700 peak 420 weight 0.10000E+01 volume 0.69750E+06 ppm1 5.222 ppm2 1.550 ASSI { 424} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB3 )) 2.100 0.600 0.600 peak 424 weight 0.10000E+01 volume 0.15650E+07 ppm1 1.542 ppm2 1.377 ASSI { 429} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG )) 2.300 2.300 3.200 peak 429 weight 0.10000E+01 volume 0.85930E+06 ppm1 4.786 ppm2 0.738 ASSI { 431} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB3 )) 2.600 0.800 0.800 peak 431 weight 0.10000E+01 volume 0.40680E+06 ppm1 4.786 ppm2 0.801 ASSI { 432} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 432 weight 0.10000E+01 volume 0.24870E+06 ppm1 4.786 ppm2 1.031 ASSI { 438} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB3 )) 2.600 0.800 0.800 peak 438 weight 0.10000E+01 volume 0.41330E+06 ppm1 4.909 ppm2 2.332 OR { 438} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) ASSI { 439} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 439 weight 0.10000E+01 volume 0.31910E+06 ppm1 4.909 ppm2 2.823 ASSI { 448} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.100 0.600 0.600 peak 448 weight 0.10000E+01 volume 0.13580E+07 ppm1 4.329 ppm2 1.412 ASSI { 449} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG3 )) 2.700 0.900 0.900 peak 449 weight 0.10000E+01 volume 0.32990E+06 ppm1 4.329 ppm2 1.165 OR { 449} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG2 )) ASSI { 450} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB3 )) 2.600 0.800 0.800 peak 450 weight 0.10000E+01 volume 0.37860E+06 ppm1 4.329 ppm2 1.262 ASSI { 452} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB3 )) 2.400 0.700 0.700 peak 452 weight 0.10000E+01 volume 0.56960E+06 ppm1 4.728 ppm2 2.320 ASSI { 453} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.400 0.700 0.700 peak 453 weight 0.10000E+01 volume 0.62550E+06 ppm1 4.728 ppm2 2.722 ASSI { 454} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HB3 )) 1.800 0.400 0.400 peak 454 weight 0.10000E+01 volume 0.38490E+07 ppm1 2.721 ppm2 2.317 ASSI { 460} (( segid " " and resid 21 and name HA1 )) (( segid " " and resid 21 and name HA2 )) 1.900 0.500 0.500 peak 460 weight 0.10000E+01 volume 0.26940E+07 ppm1 3.693 ppm2 3.512 ASSI { 466} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.300 0.700 0.700 peak 466 weight 0.10000E+01 volume 0.81770E+06 ppm1 4.390 ppm2 1.647 ASSI { 467} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB3 )) 2.300 0.700 0.700 peak 467 weight 0.10000E+01 volume 0.81080E+06 ppm1 4.390 ppm2 1.473 ASSI { 470} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) 5.500 3.800 0.000 peak 470 weight 0.10000E+01 volume -0.99280E+05 ppm1 1.708 ppm2 1.862 OR { 470} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG3 )) ASSI { 472} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HB2 )) 1.700 0.400 0.500 peak 472 weight 0.10000E+01 volume 0.59370E+07 ppm1 1.507 ppm2 1.664 ASSI { 473} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG2 )) 1.900 1.900 3.600 peak 473 weight 0.10000E+01 volume 0.25020E+07 ppm1 1.507 ppm2 1.804 OR { 473} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG3 )) ASSI { 475} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) 2.300 0.700 0.700 peak 475 weight 0.10000E+01 volume 0.90710E+06 ppm1 4.812 ppm2 0.576 ASSI { 479} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.400 0.700 0.700 peak 479 weight 0.10000E+01 volume 0.65940E+06 ppm1 4.184 ppm2 1.266 ASSI { 481} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.200 2.200 3.300 peak 481 weight 0.10000E+01 volume 0.10440E+07 ppm1 4.184 ppm2 1.569 ASSI { 482} (( segid " " and resid 17 and name HA )) ( segid " " and resid 88 and name HG2%) 2.400 2.400 3.100 peak 482 weight 0.10000E+01 volume 0.59860E+06 ppm1 4.184 ppm2 0.587 ASSI { 486} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 5.500 3.800 0.000 peak 486 weight 0.10000E+01 volume -0.34370E+07 ppm1 1.584 ppm2 2.017 ASSI { 487} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HB2 )) 2.000 0.500 0.500 peak 487 weight 0.10000E+01 volume 0.20880E+07 ppm1 1.267 ppm2 1.600 ASSI { 488} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HG3 )) 2.200 0.600 0.600 peak 488 weight 0.10000E+01 volume 0.12200E+07 ppm1 1.267 ppm2 1.778 OR { 488} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HG2 )) ASSI { 491} (( segid " " and resid 16 and name HA )) (( segid " " and resid 90 and name HA )) 2.400 2.400 3.100 peak 491 weight 0.10000E+01 volume 0.66820E+06 ppm1 4.602 ppm2 3.405 ASSI { 492} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.800 1.000 1.000 peak 492 weight 0.10000E+01 volume 0.25130E+06 ppm1 4.602 ppm2 2.027 ASSI { 493} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.600 0.800 0.800 peak 493 weight 0.10000E+01 volume 0.39490E+06 ppm1 4.602 ppm2 2.534 ASSI { 507} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HB2 )) 2.500 0.800 0.800 peak 507 weight 0.10000E+01 volume 0.48570E+06 ppm1 1.945 ppm2 2.463 ASSI { 508} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 9 and name HB2 )) 2.000 2.000 3.500 peak 508 weight 0.10000E+01 volume 0.21160E+07 ppm1 1.945 ppm2 1.622 OR { 508} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 9 and name HB3 )) ASSI { 510} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 510 weight 0.10000E+01 volume 0.69940E+06 ppm1 4.075 ppm2 0.788 OR { 510} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 511} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB )) 2.500 2.500 3.000 peak 511 weight 0.10000E+01 volume 0.50750E+06 ppm1 4.075 ppm2 1.023 ASSI { 514} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HB )) 2.300 2.300 3.200 peak 514 weight 0.10000E+01 volume 0.91310E+06 ppm1 0.766 ppm2 1.013 OR { 514} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 11 and name HB )) ASSI { 515} (( segid " " and resid 11 and name HA )) ( segid " " and resid 11 and name HG2%) 2.300 0.700 0.700 peak 515 weight 0.10000E+01 volume 0.82240E+06 ppm1 3.517 ppm2 0.481 ASSI { 516} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB )) 2.800 1.000 1.000 peak 516 weight 0.10000E+01 volume 0.25190E+06 ppm1 3.517 ppm2 1.065 ASSI { 518} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.800 2.800 2.700 peak 518 weight 0.10000E+01 volume 0.26160E+06 ppm1 3.517 ppm2 0.771 OR { 518} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 520} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HG2%) 2.500 0.800 0.800 peak 520 weight 0.10000E+01 volume 0.52730E+06 ppm1 3.280 ppm2 0.498 ASSI { 521} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB )) 2.700 0.900 0.900 peak 521 weight 0.10000E+01 volume 0.34340E+06 ppm1 3.280 ppm2 1.441 ASSI { 523} (( segid " " and resid 10 and name HB )) ( segid " " and resid 10 and name HG2%) 2.200 0.600 0.600 peak 523 weight 0.10000E+01 volume 0.12140E+07 ppm1 1.455 ppm2 0.507 ASSI { 525} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.200 0.600 0.600 peak 525 weight 0.10000E+01 volume 0.12140E+07 ppm1 4.077 ppm2 1.628 OR { 525} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB3 )) ASSI { 526} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 526 weight 0.10000E+01 volume 0.91920E+06 ppm1 4.077 ppm2 1.404 OR { 526} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG3 )) ASSI { 543} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 543 weight 0.10000E+01 volume 0.31920E+06 ppm1 4.895 ppm2 2.002 ASSI { 544} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB3 )) 2.600 0.800 0.800 peak 544 weight 0.10000E+01 volume 0.37790E+06 ppm1 4.895 ppm2 1.847 ASSI { 546} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG )) 2.600 0.800 0.800 peak 546 weight 0.10000E+01 volume 0.36720E+06 ppm1 4.937 ppm2 1.404 ASSI { 547} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB3 )) 2.600 0.800 0.800 peak 547 weight 0.10000E+01 volume 0.36510E+06 ppm1 4.937 ppm2 1.270 ASSI { 548} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 548 weight 0.10000E+01 volume 0.48340E+06 ppm1 4.937 ppm2 1.931 ASSI { 549} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HD2%) 2.900 1.100 1.100 peak 549 weight 0.10000E+01 volume 0.21130E+06 ppm1 4.937 ppm2 0.370 ASSI { 550} (( segid " " and resid 76 and name HA )) ( segid " " and resid 64 and name HG2%) 3.000 3.000 2.500 peak 550 weight 0.10000E+01 volume 0.17100E+06 ppm1 4.937 ppm2 0.658 ASSI { 551} (( segid " " and resid 76 and name HA )) (( segid " " and resid 64 and name HA )) 2.500 0.800 0.800 peak 551 weight 0.10000E+01 volume 0.54040E+06 ppm1 4.937 ppm2 5.101 ASSI { 555} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HD2 )) 1.900 0.500 0.500 peak 555 weight 0.10000E+01 volume 0.29150E+07 ppm1 4.634 ppm2 3.625 OR { 555} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HD3 )) ASSI { 559} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 559 weight 0.10000E+01 volume 0.61410E+06 ppm1 4.634 ppm2 1.884 ASSI { 560} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB3 )) 2.900 1.100 1.100 peak 560 weight 0.10000E+01 volume 0.21210E+06 ppm1 4.634 ppm2 1.621 ASSI { 563} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB2 )) 2.200 0.600 0.600 peak 563 weight 0.10000E+01 volume 0.10290E+07 ppm1 4.247 ppm2 2.121 ASSI { 564} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG2 )) 2.600 0.800 0.800 peak 564 weight 0.10000E+01 volume 0.40310E+06 ppm1 4.247 ppm2 1.855 OR { 564} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG3 )) ASSI { 567} (( segid " " and resid 40 and name HB )) (( segid " " and resid 40 and name HA )) 2.600 0.800 0.800 peak 567 weight 0.10000E+01 volume 0.40100E+06 ppm1 4.222 ppm2 5.480 ASSI { 571} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 82 and name HA2 )) 2.000 0.500 0.500 peak 571 weight 0.10000E+01 volume 0.21890E+07 ppm1 3.966 ppm2 3.501 ASSI { 572} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HD1%) 2.300 0.700 0.700 peak 572 weight 0.10000E+01 volume 0.82440E+06 ppm1 3.931 ppm2 0.392 ASSI { 573} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 573 weight 0.10000E+01 volume 0.31350E+06 ppm1 3.931 ppm2 1.304 ASSI { 578} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB3 )) 2.400 0.700 0.700 peak 578 weight 0.10000E+01 volume 0.64900E+06 ppm1 3.945 ppm2 -0.449 ASSI { 579} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.600 0.800 0.800 peak 579 weight 0.10000E+01 volume 0.42040E+06 ppm1 3.945 ppm2 0.627 ASSI { 580} (( segid " " and resid 25 and name HA )) (( segid " " and resid 19 and name HA )) 2.300 0.700 0.700 peak 580 weight 0.10000E+01 volume 0.73670E+06 ppm1 3.945 ppm2 4.330 ASSI { 581} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB3 )) 2.200 0.600 0.600 peak 581 weight 0.10000E+01 volume 0.12270E+07 ppm1 3.922 ppm2 2.944 OR { 581} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) ASSI { 583} (( segid " " and resid 98 and name HA )) ( segid " " and resid 98 and name HD% ) 2.900 1.100 1.100 peak 583 weight 0.10000E+01 volume 0.19820E+06 ppm1 3.922 ppm2 6.927 ASSI { 616} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HG2 )) 1.700 0.400 0.500 peak 616 weight 0.10000E+01 volume 0.51700E+07 ppm1 2.981 ppm2 1.358 OR { 616} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HG3 )) OR { 616} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HG2 )) OR { 616} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HG3 )) ASSI { 617} (( segid " " and resid 9 and name HD3 )) (( segid " " and resid 9 and name HB2 )) 1.800 0.400 0.400 peak 617 weight 0.10000E+01 volume 0.35700E+07 ppm1 2.981 ppm2 1.601 OR { 617} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 9 and name HB2 )) ASSI { 639} (( segid " " and resid 112 and name HG3 )) (( segid " " and resid 112 and name HA )) 2.400 0.700 0.700 peak 639 weight 0.10000E+01 volume 0.71490E+06 ppm1 2.247 ppm2 3.934 OR { 639} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HA )) ASSI { 644} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HB3 )) 1.700 0.400 0.500 peak 644 weight 0.10000E+01 volume 0.46030E+07 ppm1 2.115 ppm2 1.723 ASSI { 646} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HG3 )) 2.000 0.500 0.500 peak 646 weight 0.10000E+01 volume 0.18490E+07 ppm1 2.115 ppm2 1.839 OR { 646} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HG2 )) ASSI { 648} (( segid " " and resid 71 and name HG3 )) (( segid " " and resid 71 and name HA )) 2.100 0.600 0.600 peak 648 weight 0.10000E+01 volume 0.14230E+07 ppm1 2.064 ppm2 3.920 OR { 648} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HA )) ASSI { 650} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB3 )) 1.600 0.300 0.600 peak 650 weight 0.10000E+01 volume 0.84150E+07 ppm1 2.064 ppm2 1.762 OR { 650} (( segid " " and resid 71 and name HG3 )) (( segid " " and resid 71 and name HB2 )) OR { 650} (( segid " " and resid 71 and name HG3 )) (( segid " " and resid 71 and name HB3 )) ASSI { 699} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG1%) 2.400 0.700 0.700 peak 699 weight 0.10000E+01 volume 0.64860E+06 ppm1 1.785 ppm2 0.689 ASSI { 704} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.400 0.700 0.700 peak 704 weight 0.10000E+01 volume 0.71540E+06 ppm1 1.802 ppm2 3.925 OR { 704} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HA )) ASSI { 711} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HA )) 2.300 0.700 0.700 peak 711 weight 0.10000E+01 volume 0.78720E+06 ppm1 1.722 ppm2 4.236 ASSI { 715} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HG2 )) 5.500 3.800 0.000 peak 715 weight 0.10000E+01 volume -0.48040E+06 ppm1 1.722 ppm2 1.868 OR { 715} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HG3 )) ASSI { 722} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HG13)) 2.900 1.100 1.100 peak 722 weight 0.10000E+01 volume 0.21510E+06 ppm1 1.623 ppm2 1.381 ASSI { 728} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG2%) 2.400 0.700 0.700 peak 728 weight 0.10000E+01 volume 0.68870E+06 ppm1 1.563 ppm2 0.027 ASSI { 730} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG1%) 2.400 0.700 0.700 peak 730 weight 0.10000E+01 volume 0.59540E+06 ppm1 1.563 ppm2 0.460 ASSI { 744} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 57 and name HG2%) 2.300 2.300 3.200 peak 744 weight 0.10000E+01 volume 0.87540E+06 ppm1 1.411 ppm2 0.668 ASSI { 752} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 9 and name HB3 )) 1.400 0.200 0.800 peak 752 weight 0.10000E+01 volume 0.16230E+08 ppm1 1.406 ppm2 1.608 OR { 752} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HB2 )) OR { 752} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 9 and name HB2 )) ASSI { 753} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 7 and name HA )) 2.600 2.600 2.900 peak 753 weight 0.10000E+01 volume 0.37630E+06 ppm1 1.405 ppm2 3.930 ASSI { 754} (( segid " " and resid 64 and name HG12)) ( segid " " and resid 64 and name HG2%) 1.900 0.500 0.500 peak 754 weight 0.10000E+01 volume 0.23320E+07 ppm1 1.397 ppm2 0.659 ASSI { 755} (( segid " " and resid 64 and name HG12)) ( segid " " and resid 64 and name HD1%) 1.800 0.400 0.400 peak 755 weight 0.10000E+01 volume 0.34460E+07 ppm1 1.404 ppm2 0.963 ASSI { 762} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HB3 )) 2.000 0.500 0.500 peak 762 weight 0.10000E+01 volume 0.21630E+07 ppm1 1.321 ppm2 1.060 ASSI { 763} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 7 and name HD1%) 2.400 0.700 0.700 peak 763 weight 0.10000E+01 volume 0.58650E+06 ppm1 1.321 ppm2 0.408 ASSI { 764} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG )) 2.400 0.700 0.700 peak 764 weight 0.10000E+01 volume 0.61230E+06 ppm1 1.321 ppm2 1.750 ASSI { 765} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 59 and name HD2%) 2.500 0.800 0.800 peak 765 weight 0.10000E+01 volume 0.55840E+06 ppm1 1.321 ppm2 0.589 ASSI { 787} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 89 and name HG3 )) 1.700 1.700 3.800 peak 787 weight 0.10000E+01 volume 0.46400E+07 ppm1 1.195 ppm2 1.621 OR { 787} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 89 and name HG2 )) OR { 787} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 89 and name HG3 )) ASSI { 804} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 804 weight 0.10000E+01 volume 0.51910E+06 ppm1 1.064 ppm2 3.927 ASSI { 805} (( segid " " and resid 7 and name HB3 )) ( segid " " and resid 7 and name HD1%) 2.500 0.800 0.800 peak 805 weight 0.10000E+01 volume 0.47760E+06 ppm1 1.064 ppm2 0.409 ASSI { 808} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HE3 )) 2.400 0.700 0.700 peak 808 weight 0.10000E+01 volume 0.59860E+06 ppm1 1.130 ppm2 2.712 OR { 808} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HE2 )) OR { 808} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HE2 )) ASSI { 813} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.000 0.500 0.500 peak 813 weight 0.10000E+01 volume 0.20540E+07 ppm1 0.967 ppm2 3.870 ASSI { 827} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 69 and name HB )) 1.800 0.400 0.400 peak 827 weight 0.10000E+01 volume 0.37060E+07 ppm1 0.970 ppm2 4.073 ASSI { 828} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 69 and name HA )) 2.000 0.500 0.500 peak 828 weight 0.10000E+01 volume 0.20450E+07 ppm1 0.970 ppm2 4.347 ASSI { 831} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HB )) 2.100 0.600 0.600 peak 831 weight 0.10000E+01 volume 0.14350E+07 ppm1 0.935 ppm2 1.742 ASSI { 833} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 98 and name HD% ) 2.700 2.700 2.800 peak 833 weight 0.10000E+01 volume 0.33070E+06 ppm1 0.935 ppm2 6.924 ASSI { 834} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 99 and name HG2%) 2.000 0.500 0.500 peak 834 weight 0.10000E+01 volume 0.16470E+07 ppm1 0.935 ppm2 0.464 ASSI { 839} (( segid " " and resid 37 and name HB )) ( segid " " and resid 37 and name HG2%) 2.300 0.700 0.700 peak 839 weight 0.10000E+01 volume 0.77860E+06 ppm1 0.917 ppm2 -0.179 ASSI { 841} (( segid " " and resid 37 and name HB )) ( segid " " and resid 59 and name HD1%) 2.900 1.100 1.100 peak 841 weight 0.10000E+01 volume 0.20980E+06 ppm1 0.917 ppm2 0.533 ASSI { 844} ( segid " " and resid 15 and name HB% ) ( segid " " and resid 27 and name HD2%) 2.300 2.300 3.200 peak 844 weight 0.10000E+01 volume 0.83690E+06 ppm1 0.933 ppm2 0.589 ASSI { 848} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 15 and name HA )) 2.200 0.600 0.600 peak 848 weight 0.10000E+01 volume 0.11650E+07 ppm1 0.933 ppm2 4.456 ASSI { 851} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.200 0.600 0.600 peak 851 weight 0.10000E+01 volume 0.11220E+07 ppm1 0.836 ppm2 4.212 ASSI { 854} ( segid " " and resid 75 and name HG1%) (( segid " " and resid 67 and name HD2 )) 2.200 0.600 0.600 peak 854 weight 0.10000E+01 volume 0.10160E+07 ppm1 0.827 ppm2 6.548 ASSI { 855} ( segid " " and resid 75 and name HG1%) (( segid " " and resid 75 and name HB )) 2.000 0.500 0.500 peak 855 weight 0.10000E+01 volume 0.18120E+07 ppm1 0.827 ppm2 1.874 ASSI { 856} ( segid " " and resid 75 and name HG1%) (( segid " " and resid 75 and name HA )) 2.100 0.600 0.600 peak 856 weight 0.10000E+01 volume 0.14080E+07 ppm1 0.827 ppm2 4.366 ASSI { 857} ( segid " " and resid 75 and name HG1%) (( segid " " and resid 87 and name HA )) 2.600 0.800 0.800 peak 857 weight 0.10000E+01 volume 0.37120E+06 ppm1 0.827 ppm2 5.248 ASSI { 859} ( segid " " and resid 75 and name HG1%) (( segid " " and resid 87 and name HB3 )) 2.400 0.700 0.700 peak 859 weight 0.10000E+01 volume 0.63960E+06 ppm1 0.827 ppm2 1.362 ASSI { 866} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 103 and name HE3 )) 2.300 0.700 0.700 peak 866 weight 0.10000E+01 volume 0.91790E+06 ppm1 0.771 ppm2 7.004 ASSI { 867} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 107 and name HB )) 2.200 0.600 0.600 peak 867 weight 0.10000E+01 volume 0.94740E+06 ppm1 0.771 ppm2 1.715 ASSI { 868} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 107 and name HG13)) 2.300 0.700 0.700 peak 868 weight 0.10000E+01 volume 0.87030E+06 ppm1 0.771 ppm2 1.859 OR { 868} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 107 and name HG12)) ASSI { 869} (( segid " " and resid 32 and name HG )) ( segid " " and resid 32 and name HD1%) 2.000 0.500 0.500 peak 869 weight 0.10000E+01 volume 0.16520E+07 ppm1 0.741 ppm2 0.092 OR { 869} (( segid " " and resid 32 and name HG )) ( segid " " and resid 32 and name HD2%) ASSI { 872} (( segid " " and resid 32 and name HG )) (( segid " " and resid 32 and name HB2 )) 2.300 0.700 0.700 peak 872 weight 0.10000E+01 volume 0.80580E+06 ppm1 0.741 ppm2 1.056 ASSI { 873} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HB )) 2.200 0.600 0.600 peak 873 weight 0.10000E+01 volume 0.11650E+07 ppm1 0.744 ppm2 3.799 ASSI { 878} (( segid " " and resid 59 and name HG )) (( segid " " and resid 59 and name HB3 )) 2.200 0.600 0.600 peak 878 weight 0.10000E+01 volume 0.10160E+07 ppm1 0.707 ppm2 1.359 OR { 878} (( segid " " and resid 59 and name HG )) (( segid " " and resid 59 and name HB2 )) ASSI { 880} (( segid " " and resid 59 and name HG )) ( segid " " and resid 59 and name HD1%) 5.500 3.800 0.000 peak 880 weight 0.10000E+01 volume -0.42370E+07 ppm1 0.707 ppm2 0.609 ASSI { 883} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 107 and name HA )) 2.600 0.800 0.800 peak 883 weight 0.10000E+01 volume 0.38820E+06 ppm1 0.712 ppm2 3.332 ASSI { 884} ( segid " " and resid 107 and name HG2%) ( segid " " and resid 32 and name HD1%) 2.400 2.400 3.100 peak 884 weight 0.10000E+01 volume 0.62500E+06 ppm1 0.712 ppm2 0.090 OR { 884} ( segid " " and resid 107 and name HG2%) ( segid " " and resid 32 and name HD2%) ASSI { 890} ( segid " " and resid 104 and name HD1%) (( segid " " and resid 104 and name HB2 )) 2.100 0.600 0.600 peak 890 weight 0.10000E+01 volume 0.15520E+07 ppm1 0.697 ppm2 1.726 ASSI { 893} ( segid " " and resid 104 and name HD1%) (( segid " " and resid 74 and name HA )) 2.800 2.800 2.700 peak 893 weight 0.10000E+01 volume 0.25720E+06 ppm1 0.697 ppm2 4.169 ASSI { 896} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 18 and name HA )) 2.500 0.800 0.800 peak 896 weight 0.10000E+01 volume 0.45140E+06 ppm1 0.696 ppm2 4.810 ASSI { 897} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 28 and name HB3 )) 2.400 2.400 3.100 peak 897 weight 0.10000E+01 volume 0.56180E+06 ppm1 0.696 ppm2 1.563 OR { 897} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 28 and name HB2 )) ASSI { 899} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HZ3 )) 2.400 0.700 0.700 peak 899 weight 0.10000E+01 volume 0.57040E+06 ppm1 0.693 ppm2 6.681 ASSI { 903} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 903 weight 0.10000E+01 volume 0.39910E+06 ppm1 0.654 ppm2 5.108 ASSI { 907} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB3 )) 2.300 0.700 0.700 peak 907 weight 0.10000E+01 volume 0.82430E+06 ppm1 0.627 ppm2 -0.449 ASSI { 912} ( segid " " and resid 88 and name HG2%) (( segid " " and resid 88 and name HB )) 2.200 0.600 0.600 peak 912 weight 0.10000E+01 volume 0.97140E+06 ppm1 0.580 ppm2 1.289 ASSI { 913} ( segid " " and resid 88 and name HG2%) ( segid " " and resid 88 and name HD1%) 2.300 0.700 0.700 peak 913 weight 0.10000E+01 volume 0.83890E+06 ppm1 0.580 ppm2 -0.814 ASSI { 918} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HB )) 2.100 0.600 0.600 peak 918 weight 0.10000E+01 volume 0.14200E+07 ppm1 0.579 ppm2 1.788 ASSI { 921} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 59 and name HA )) 2.200 0.600 0.600 peak 921 weight 0.10000E+01 volume 0.11010E+07 ppm1 0.565 ppm2 3.767 ASSI { 925} ( segid " " and resid 59 and name HD1%) (( segid " " and resid 59 and name HB2 )) 2.300 0.700 0.700 peak 925 weight 0.10000E+01 volume 0.74850E+06 ppm1 0.565 ppm2 1.369 ASSI { 930} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 74 and name HB )) 2.300 0.700 0.700 peak 930 weight 0.10000E+01 volume 0.92520E+06 ppm1 0.545 ppm2 1.474 ASSI { 934} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 33 and name HD% ) 2.300 0.700 0.700 peak 934 weight 0.10000E+01 volume 0.86200E+06 ppm1 0.515 ppm2 6.832 ASSI { 940} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 940 weight 0.10000E+01 volume 0.96490E+06 ppm1 0.506 ppm2 1.023 ASSI { 941} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HB )) 2.400 0.700 0.700 peak 941 weight 0.10000E+01 volume 0.59910E+06 ppm1 0.506 ppm2 1.077 ASSI { 942} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 11 and name HD1%) 1.900 0.500 0.500 peak 942 weight 0.10000E+01 volume 0.25000E+07 ppm1 0.506 ppm2 0.376 ASSI { 948} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 103 and name HD1 )) 2.300 0.700 0.700 peak 948 weight 0.10000E+01 volume 0.88740E+06 ppm1 0.486 ppm2 7.771 ASSI { 950} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HB )) 2.100 0.600 0.600 peak 950 weight 0.10000E+01 volume 0.13470E+07 ppm1 0.487 ppm2 1.741 ASSI { 954} ( segid " " and resid 30 and name HG1%) ( segid " " and resid 30 and name HG2%) 2.100 0.600 0.600 peak 954 weight 0.10000E+01 volume 0.12760E+07 ppm1 0.458 ppm2 0.023 ASSI { 955} ( segid " " and resid 30 and name HG1%) ( segid " " and resid 16 and name HD% ) 2.300 0.700 0.700 peak 955 weight 0.10000E+01 volume 0.72510E+06 ppm1 0.458 ppm2 6.318 ASSI { 956} ( segid " " and resid 30 and name HG1%) ( segid " " and resid 39 and name HD% ) 2.500 0.800 0.800 peak 956 weight 0.10000E+01 volume 0.46050E+06 ppm1 0.458 ppm2 6.676 ASSI { 958} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 30 and name HA )) 2.400 0.700 0.700 peak 958 weight 0.10000E+01 volume 0.56430E+06 ppm1 0.458 ppm2 4.697 ASSI { 961} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 37 and name HG2%) 2.100 0.600 0.600 peak 961 weight 0.10000E+01 volume 0.14190E+07 ppm1 0.420 ppm2 -0.170 ASSI { 962} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 30 and name HG2%) 2.800 2.800 2.700 peak 962 weight 0.10000E+01 volume 0.24820E+06 ppm1 0.420 ppm2 0.036 ASSI { 963} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 59 and name HB2 )) 2.700 2.700 2.800 peak 963 weight 0.10000E+01 volume 0.30440E+06 ppm1 0.420 ppm2 1.427 OR { 963} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 59 and name HB3 )) ASSI { 964} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HB )) 2.200 0.600 0.600 peak 964 weight 0.10000E+01 volume 0.10300E+07 ppm1 0.420 ppm2 0.894 ASSI { 967} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HB )) 2.400 0.700 0.700 peak 967 weight 0.10000E+01 volume 0.58490E+06 ppm1 0.418 ppm2 1.060 ASSI { 968} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HG13)) 2.100 0.600 0.600 peak 968 weight 0.10000E+01 volume 0.13900E+07 ppm1 0.418 ppm2 0.755 ASSI { 972} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 76 and name HD1%) 1.800 0.400 0.400 peak 972 weight 0.10000E+01 volume 0.38190E+07 ppm1 0.395 ppm2 0.531 ASSI { 986} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name HB2 )) 2.100 0.600 0.600 peak 986 weight 0.10000E+01 volume 0.13620E+07 ppm1 0.092 ppm2 1.048 ASSI { 991} ( segid " " and resid 30 and name HG2%) ( segid " " and resid 37 and name HG2%) 2.100 0.600 0.600 peak 991 weight 0.10000E+01 volume 0.14440E+07 ppm1 0.030 ppm2 -0.170 ASSI { 993} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 103 and name HH2 )) 2.500 0.800 0.800 peak 993 weight 0.10000E+01 volume 0.44990E+06 ppm1 0.030 ppm2 6.307 ASSI { 994} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 103 and name HZ3 )) 2.400 0.700 0.700 peak 994 weight 0.10000E+01 volume 0.59730E+06 ppm1 0.030 ppm2 6.430 ASSI { 995} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HA )) 2.400 0.700 0.700 peak 995 weight 0.10000E+01 volume 0.70650E+06 ppm1 0.030 ppm2 4.702 ASSI { 1005} ( segid " " and resid 57 and name HD1%) ( segid " " and resid 57 and name HG2%) 2.400 0.700 0.700 peak 1005 weight 0.10000E+01 volume 0.62540E+06 ppm1 -0.213 ppm2 0.657 ASSI { 1006} ( segid " " and resid 57 and name HD1%) ( segid " " and resid 83 and name HD2%) 2.300 0.700 0.700 peak 1006 weight 0.10000E+01 volume 0.78290E+06 ppm1 -0.213 ppm2 0.384 ASSI { 1007} ( segid " " and resid 57 and name HD1%) ( segid " " and resid 83 and name HD1%) 2.300 0.700 0.700 peak 1007 weight 0.10000E+01 volume 0.83840E+06 ppm1 -0.213 ppm2 0.538 ASSI { 1008} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HB )) 2.800 1.000 1.000 peak 1008 weight 0.10000E+01 volume 0.26680E+06 ppm1 -0.213 ppm2 1.575 ASSI { 1009} ( segid " " and resid 57 and name HD1%) ( segid " " and resid 86 and name HE% ) 2.800 1.000 1.000 peak 1009 weight 0.10000E+01 volume 0.25520E+06 ppm1 -0.213 ppm2 6.111 ASSI { 1010} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HA )) 2.700 0.900 0.900 peak 1010 weight 0.10000E+01 volume 0.33840E+06 ppm1 -0.213 ppm2 4.633 ASSI { 1025} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB )) 2.500 0.800 0.800 peak 1025 weight 0.10000E+01 volume 0.53880E+06 ppm1 4.351 ppm2 1.870 ASSI { 1026} (( segid " " and resid 75 and name HA )) ( segid " " and resid 76 and name HD1%) 3.000 1.100 1.100 peak 1026 weight 0.10000E+01 volume 0.15510E+06 ppm1 4.351 ppm2 0.532 ASSI { 1027} (( segid " " and resid 75 and name HA )) ( segid " " and resid 64 and name HD1%) 2.800 2.800 2.700 peak 1027 weight 0.10000E+01 volume 0.23640E+06 ppm1 4.351 ppm2 0.963 ASSI { 1030} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 40 and name HB )) 2.000 0.500 0.500 peak 1030 weight 0.10000E+01 volume 0.21790E+07 ppm1 1.005 ppm2 4.216 ASSI { 1036} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 88 and name HD1%) 2.600 0.800 0.800 peak 1036 weight 0.10000E+01 volume 0.40830E+06 ppm1 0.544 ppm2 -0.818 ASSI { 1037} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG )) 2.600 0.800 0.800 peak 1037 weight 0.10000E+01 volume 0.40380E+06 ppm1 0.544 ppm2 1.409 ASSI { 1038} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 86 and name HZ )) 2.700 0.900 0.900 peak 1038 weight 0.10000E+01 volume 0.30710E+06 ppm1 0.544 ppm2 5.718 ASSI { 1039} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 39 and name HE% ) 3.000 3.000 2.500 peak 1039 weight 0.10000E+01 volume 0.16940E+06 ppm1 0.544 ppm2 6.604 ASSI { 1041} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 57 and name HD1%) 2.200 0.600 0.600 peak 1041 weight 0.10000E+01 volume 0.98180E+06 ppm1 0.526 ppm2 -0.214 ASSI { 1042} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 86 and name HB2 )) 2.300 2.300 3.200 peak 1042 weight 0.10000E+01 volume 0.80120E+06 ppm1 0.526 ppm2 2.634 OR { 1042} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 86 and name HB2 )) ASSI { 1047} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 2.500 0.800 0.800 peak 1047 weight 0.10000E+01 volume 0.47360E+06 ppm1 1.368 ppm2 3.754 OR { 1047} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HA )) ASSI { 1063} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 80 and name HB2 )) 1.700 0.400 0.500 peak 1063 weight 0.10000E+01 volume 0.50250E+07 ppm1 1.625 ppm2 1.873 ASSI { 1064} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.400 0.700 0.700 peak 1064 weight 0.10000E+01 volume 0.70290E+06 ppm1 4.345 ppm2 3.157 ASSI { 1066} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB3 )) 2.600 0.800 0.800 peak 1066 weight 0.10000E+01 volume 0.40080E+06 ppm1 4.345 ppm2 3.103 ASSI { 1071} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HA )) 2.800 1.000 1.000 peak 1071 weight 0.10000E+01 volume 0.24420E+06 ppm1 1.842 ppm2 5.386 OR { 1071} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HA )) ASSI { 1073} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 19 and name HZ3 )) 2.700 0.900 0.900 peak 1073 weight 0.10000E+01 volume 0.34830E+06 ppm1 1.886 ppm2 6.648 ASSI { 1075} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 19 and name HZ3 )) 3.000 3.000 2.500 peak 1075 weight 0.10000E+01 volume 0.18100E+06 ppm1 1.798 ppm2 6.657 ASSI { 1077} (( segid " " and resid 95 and name HB )) ( segid " " and resid 95 and name HG2%) 2.100 0.600 0.600 peak 1077 weight 0.10000E+01 volume 0.13960E+07 ppm1 4.552 ppm2 0.927 ASSI { 1081} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HB3 )) 2.600 2.600 2.900 peak 1081 weight 0.10000E+01 volume 0.35750E+06 ppm1 1.933 ppm2 1.263 ASSI { 1082} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 76 and name HD2%) 2.500 0.800 0.800 peak 1082 weight 0.10000E+01 volume 0.44250E+06 ppm1 1.278 ppm2 0.383 ASSI { 1086} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB3 )) 5.500 3.800 0.000 peak 1086 weight 0.10000E+01 volume -0.85080E+06 ppm1 4.192 ppm2 2.442 ASSI { 1101} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 103 and name HH2 )) 3.300 1.400 1.400 peak 1101 weight 0.10000E+01 volume 0.99610E+05 ppm1 -0.176 ppm2 6.324 ASSI { 1104} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 1104 weight 0.10000E+01 volume 0.25690E+06 ppm1 4.644 ppm2 2.020 OR { 1104} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG3 )) ASSI { 1107} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 27 and name HB2 )) 1.700 1.700 3.800 peak 1107 weight 0.10000E+01 volume 0.44300E+07 ppm1 1.848 ppm2 1.513 ASSI { 1108} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 83 and name HD2%) 2.000 2.000 3.500 peak 1108 weight 0.10000E+01 volume 0.22020E+07 ppm1 1.852 ppm2 0.707 OR { 1108} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 83 and name HD1%) ASSI { 1111} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 64 and name HG2%) 2.200 2.200 3.300 peak 1111 weight 0.10000E+01 volume 0.10700E+07 ppm1 0.386 ppm2 0.656 ASSI { 1118} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 2.100 0.600 0.600 peak 1118 weight 0.10000E+01 volume 0.12840E+07 ppm1 1.009 ppm2 3.788 ASSI { 1119} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 84 and name HD2 )) 2.200 0.600 0.600 peak 1119 weight 0.10000E+01 volume 0.10500E+07 ppm1 0.901 ppm2 3.658 OR { 1119} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 84 and name HD3 )) ASSI { 1124} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 1124 weight 0.10000E+01 volume 0.56400E+06 ppm1 0.887 ppm2 1.745 ASSI { 1125} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG2 )) 2.400 0.700 0.700 peak 1125 weight 0.10000E+01 volume 0.65420E+06 ppm1 3.728 ppm2 1.478 ASSI { 1126} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HG2 )) 2.500 0.800 0.800 peak 1126 weight 0.10000E+01 volume 0.45100E+06 ppm1 3.728 ppm2 1.226 ASSI { 1127} (( segid " " and resid 101 and name HA )) ( segid " " and resid 104 and name HD1%) 2.400 0.700 0.700 peak 1127 weight 0.10000E+01 volume 0.59890E+06 ppm1 3.750 ppm2 0.707 OR { 1127} (( segid " " and resid 101 and name HA )) ( segid " " and resid 104 and name HD2%) ASSI { 1131} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HD2 )) 2.400 2.400 3.100 peak 1131 weight 0.10000E+01 volume 0.59430E+06 ppm1 3.773 ppm2 3.017 OR { 1131} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HD3 )) ASSI { 1140} (( segid " " and resid 108 and name HA )) ( segid " " and resid 107 and name HG2%) 2.600 0.800 0.800 peak 1140 weight 0.10000E+01 volume 0.37750E+06 ppm1 4.086 ppm2 0.712 ASSI { 1154} (( segid " " and resid 69 and name HB )) (( segid " " and resid 69 and name HA )) 2.300 0.700 0.700 peak 1154 weight 0.10000E+01 volume 0.83300E+06 ppm1 4.075 ppm2 4.344 ASSI { 1160} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HB2 )) 2.000 0.500 0.500 peak 1160 weight 0.10000E+01 volume 0.20480E+07 ppm1 3.520 ppm2 3.623 ASSI { 1165} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 2.400 0.700 0.700 peak 1165 weight 0.10000E+01 volume 0.61370E+06 ppm1 3.443 ppm2 1.792 ASSI { 1166} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB3 )) 2.600 0.800 0.800 peak 1166 weight 0.10000E+01 volume 0.43430E+06 ppm1 3.443 ppm2 1.505 ASSI { 1169} (( segid " " and resid 78 and name HA )) (( segid " " and resid 80 and name HN )) 2.600 0.800 0.800 peak 1169 weight 0.10000E+01 volume 0.37270E+06 ppm1 3.440 ppm2 6.885 ASSI { 1172} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HG2%) 2.600 0.800 0.800 peak 1172 weight 0.10000E+01 volume 0.43120E+06 ppm1 4.059 ppm2 0.978 ASSI { 1178} (( segid " " and resid 86 and name HZ )) ( segid " " and resid 37 and name HG2%) 3.000 3.000 2.500 peak 1178 weight 0.10000E+01 volume 0.15840E+06 ppm1 5.704 ppm2 -0.182 ASSI { 1183} (( segid " " and resid 37 and name HA )) (( segid " " and resid 32 and name HB3 )) 2.600 2.600 2.900 peak 1183 weight 0.10000E+01 volume 0.42460E+06 ppm1 4.810 ppm2 0.798 ASSI { 1187} (( segid " " and resid 105 and name HA )) (( segid " " and resid 109 and name HG2 )) 3.200 1.300 1.300 peak 1187 weight 0.10000E+01 volume 0.11570E+06 ppm1 3.924 ppm2 2.236 ASSI { 1193} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 2.300 0.700 0.700 peak 1193 weight 0.10000E+01 volume 0.74140E+06 ppm1 3.689 ppm2 1.243 ASSI { 1194} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB3 )) 2.300 0.700 0.700 peak 1194 weight 0.10000E+01 volume 0.73480E+06 ppm1 3.689 ppm2 1.074 ASSI { 1195} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG3 )) 2.400 0.700 0.700 peak 1195 weight 0.10000E+01 volume 0.69260E+06 ppm1 3.689 ppm2 1.129 OR { 1195} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG2 )) ASSI { 1196} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HB2 )) 2.700 2.700 2.800 peak 1196 weight 0.10000E+01 volume 0.30640E+06 ppm1 4.062 ppm2 2.923 OR { 1196} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HB3 )) ASSI { 1208} (( segid " " and resid 66 and name HA )) (( segid " " and resid 73 and name HA )) 1.400 1.400 4.100 peak 1208 weight 0.10000E+01 volume 0.13560E+08 ppm1 4.319 ppm2 4.639 ASSI { 1210} (( segid " " and resid 27 and name HA )) (( segid " " and resid 17 and name HA )) 2.400 0.700 0.700 peak 1210 weight 0.10000E+01 volume 0.61650E+06 ppm1 4.590 ppm2 4.194 ASSI { 1213} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB3 )) 2.400 0.700 0.700 peak 1213 weight 0.10000E+01 volume 0.59180E+06 ppm1 4.581 ppm2 1.826 ASSI { 1214} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.900 2.900 2.600 peak 1214 weight 0.10000E+01 volume 0.21210E+06 ppm1 4.481 ppm2 2.653 ASSI { 1218} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 2.600 0.800 0.800 peak 1218 weight 0.10000E+01 volume 0.42150E+06 ppm1 5.019 ppm2 2.136 ASSI { 1219} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG2 )) 2.800 1.000 1.000 peak 1219 weight 0.10000E+01 volume 0.26040E+06 ppm1 5.019 ppm2 1.744 OR { 1219} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG3 )) ASSI { 1238} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HD2 )) 2.200 2.200 3.300 peak 1238 weight 0.10000E+01 volume 0.11630E+07 ppm1 2.547 ppm2 2.948 OR { 1238} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HD3 )) ASSI { 1240} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 2.200 0.600 0.600 peak 1240 weight 0.10000E+01 volume 0.97880E+06 ppm1 2.553 ppm2 2.021 ASSI { 1241} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 16 and name HE% ) 2.500 2.500 3.000 peak 1241 weight 0.10000E+01 volume 0.51900E+06 ppm1 2.553 ppm2 6.900 ASSI { 1242} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 16 and name HD% ) 2.800 1.000 1.000 peak 1242 weight 0.10000E+01 volume 0.27260E+06 ppm1 2.553 ppm2 6.314 ASSI { 1246} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 93 and name HB2 )) 2.900 2.900 2.600 peak 1246 weight 0.10000E+01 volume 0.20580E+06 ppm1 2.557 ppm2 3.155 ASSI { 1256} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HG2 )) 2.600 2.600 2.900 peak 1256 weight 0.10000E+01 volume 0.35390E+06 ppm1 2.667 ppm2 1.355 OR { 1256} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HG3 )) ASSI { 1258} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 114 and name HD% ) 2.200 0.600 0.600 peak 1258 weight 0.10000E+01 volume 0.10080E+07 ppm1 2.915 ppm2 6.938 OR { 1258} (( segid " " and resid 114 and name HB3 )) ( segid " " and resid 114 and name HD% ) ASSI { 1274} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 84 and name HD2 )) 2.800 1.000 1.000 peak 1274 weight 0.10000E+01 volume 0.26810E+06 ppm1 1.760 ppm2 3.667 OR { 1274} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 84 and name HD3 )) ASSI { 1276} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HB3 )) 2.500 0.800 0.800 peak 1276 weight 0.10000E+01 volume 0.45400E+06 ppm1 1.764 ppm2 1.336 ASSI { 1277} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HG )) 2.700 0.900 0.900 peak 1277 weight 0.10000E+01 volume 0.29860E+06 ppm1 1.764 ppm2 1.499 ASSI { 1278} (( segid " " and resid 83 and name HB2 )) ( segid " " and resid 83 and name HD2%) 3.000 1.100 1.100 peak 1278 weight 0.10000E+01 volume 0.16220E+06 ppm1 1.764 ppm2 0.777 ASSI { 1279} (( segid " " and resid 88 and name HB )) ( segid " " and resid 88 and name HD1%) 2.700 0.900 0.900 peak 1279 weight 0.10000E+01 volume 0.30450E+06 ppm1 1.329 ppm2 -0.818 ASSI { 1286} (( segid " " and resid 88 and name HB )) (( segid " " and resid 88 and name HG13)) 2.400 0.700 0.700 peak 1286 weight 0.10000E+01 volume 0.62020E+06 ppm1 1.281 ppm2 0.687 OR { 1286} (( segid " " and resid 88 and name HB )) (( segid " " and resid 88 and name HG12)) ASSI { 1296} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 59 and name HB2 )) 1.700 1.700 3.800 peak 1296 weight 0.10000E+01 volume 0.55850E+07 ppm1 1.409 ppm2 1.405 ASSI { 1323} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HB2 )) 2.200 0.600 0.600 peak 1323 weight 0.10000E+01 volume 0.96250E+06 ppm1 2.161 ppm2 2.415 ASSI { 1324} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 1324 weight 0.10000E+01 volume 0.15070E+06 ppm1 2.161 ppm2 5.014 ASSI { 1327} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HB2 )) 2.000 0.500 0.500 peak 1327 weight 0.10000E+01 volume 0.19700E+07 ppm1 1.193 ppm2 1.898 ASSI { 1351} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HB3 )) 2.100 0.600 0.600 peak 1351 weight 0.10000E+01 volume 0.12930E+07 ppm1 3.066 ppm2 2.727 ASSI { 1403} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 74 and name HD1%) 1.900 0.500 0.500 peak 1403 weight 0.10000E+01 volume 0.26080E+07 ppm1 1.873 ppm2 0.725 OR { 1403} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 74 and name HD1%) ASSI { 1424} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HG )) 2.000 0.500 0.500 peak 1424 weight 0.10000E+01 volume 0.21790E+07 ppm1 0.765 ppm2 1.490 ASSI { 1426} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 83 and name HB3 )) 2.100 0.600 0.600 peak 1426 weight 0.10000E+01 volume 0.12500E+07 ppm1 0.765 ppm2 1.339 ASSI { 1429} ( segid " " and resid 83 and name HD2%) ( segid " " and resid 83 and name HD1%) 2.000 0.500 0.500 peak 1429 weight 0.10000E+01 volume 0.17070E+07 ppm1 0.765 ppm2 0.900 ASSI { 1484} (( segid " " and resid 20 and name HA )) ( segid " " and resid 18 and name HG1%) 2.800 2.800 2.700 peak 1484 weight 0.10000E+01 volume 0.26800E+06 ppm1 4.444 ppm2 0.704 ASSI { 1487} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 98 and name HA )) 2.200 2.200 3.300 peak 1487 weight 0.10000E+01 volume 0.11190E+07 ppm1 1.583 ppm2 3.919 ASSI { 1489} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 32 and name HB3 )) 2.400 0.700 0.700 peak 1489 weight 0.10000E+01 volume 0.67960E+06 ppm1 0.092 ppm2 0.787 OR { 1489} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name HB3 )) ASSI { 1496} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 37 and name HB )) 2.400 2.400 3.100 peak 1496 weight 0.10000E+01 volume 0.66040E+06 ppm1 -0.210 ppm2 0.905 ASSI { 1499} (( segid " " and resid 57 and name HB )) (( segid " " and resid 37 and name HB )) 2.700 0.900 0.900 peak 1499 weight 0.10000E+01 volume 0.34050E+06 ppm1 1.548 ppm2 0.903 ASSI { 1503} (( segid " " and resid 64 and name HG13)) ( segid " " and resid 74 and name HG2%) 2.100 0.600 0.600 peak 1503 weight 0.10000E+01 volume 0.15420E+07 ppm1 1.388 ppm2 0.522 OR { 1503} (( segid " " and resid 64 and name HG12)) ( segid " " and resid 74 and name HG2%) ASSI { 1507} (( segid " " and resid 65 and name HA )) ( segid " " and resid 75 and name HG2%) 2.600 2.600 2.900 peak 1507 weight 0.10000E+01 volume 0.35400E+06 ppm1 4.627 ppm2 0.686 ASSI { 1509} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HB )) 2.100 0.600 0.600 peak 1509 weight 0.10000E+01 volume 0.15550E+07 ppm1 0.652 ppm2 1.592 ASSI { 1511} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 62 and name HD% ) 2.600 2.600 2.900 peak 1511 weight 0.10000E+01 volume 0.36220E+06 ppm1 0.652 ppm2 6.894 ASSI { 1514} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 32 and name HD2%) 2.600 2.600 2.900 peak 1514 weight 0.10000E+01 volume 0.39460E+06 ppm1 0.672 ppm2 0.100 OR { 1514} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 32 and name HD1%) ASSI { 1515} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HG3 )) 2.100 0.600 0.600 peak 1515 weight 0.10000E+01 volume 0.14590E+07 ppm1 1.808 ppm2 1.244 ASSI { 1516} (( segid " " and resid 87 and name HB2 )) ( segid " " and resid 73 and name HG2%) 2.300 2.300 3.200 peak 1516 weight 0.10000E+01 volume 0.77360E+06 ppm1 1.616 ppm2 0.747 ASSI { 1518} (( segid " " and resid 4 and name HB )) ( segid " " and resid 4 and name HG2%) 2.400 0.700 0.700 peak 1518 weight 0.10000E+01 volume 0.62610E+06 ppm1 4.056 ppm2 0.964 ASSI { 1522} ( segid " " and resid 75 and name HG1%) (( segid " " and resid 67 and name HB3 )) 2.400 2.400 3.100 peak 1522 weight 0.10000E+01 volume 0.58550E+06 ppm1 0.795 ppm2 2.463 ASSI { 1535} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 32 and name HD1%) 2.300 0.700 0.700 peak 1535 weight 0.10000E+01 volume 0.88240E+06 ppm1 0.502 ppm2 0.092 ASSI { 1536} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 5.500 3.800 0.000 peak 1536 weight 0.10000E+01 volume -0.18850E+07 ppm1 2.915 ppm2 4.214 ASSI { 1538} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 78 and name HA )) 3.000 1.100 1.100 peak 1538 weight 0.10000E+01 volume 0.16960E+06 ppm1 1.766 ppm2 3.455 ASSI { 1552} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 1552 weight 0.10000E+01 volume 0.11380E+07 ppm1 0.900 ppm2 4.636 ASSI { 1553} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HB2 )) 2.100 0.600 0.600 peak 1553 weight 0.10000E+01 volume 0.12910E+07 ppm1 0.804 ppm2 1.019 ASSI { 1556} (( segid " " and resid 16 and name HB3 )) ( segid " " and resid 16 and name HD% ) 2.700 0.900 0.900 peak 1556 weight 0.10000E+01 volume 0.32900E+06 ppm1 2.023 ppm2 6.316 ASSI { 1565} ( segid " " and resid 93 and name HD% ) (( segid " " and resid 93 and name HB2 )) 2.100 0.600 0.600 peak 1565 weight 0.10000E+01 volume 0.13240E+07 ppm1 6.938 ppm2 2.929 OR { 1565} ( segid " " and resid 93 and name HD% ) (( segid " " and resid 93 and name HB3 )) ASSI { 1567} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HB3 )) 1.700 0.400 0.500 peak 1567 weight 0.10000E+01 volume 0.52230E+07 ppm1 1.654 ppm2 1.627 ASSI { 1572} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HE3 )) 2.700 2.700 2.800 peak 1572 weight 0.10000E+01 volume 0.34750E+06 ppm1 2.738 ppm2 6.999 ASSI { 1580} (( segid " " and resid 11 and name HG12)) (( segid " " and resid 11 and name HG13)) 1.800 0.400 0.400 peak 1580 weight 0.10000E+01 volume 0.30470E+07 ppm1 1.248 ppm2 0.759 ASSI { 1581} (( segid " " and resid 11 and name HG12)) ( segid " " and resid 11 and name HD1%) 2.100 0.600 0.600 peak 1581 weight 0.10000E+01 volume 0.13310E+07 ppm1 1.248 ppm2 0.420 ASSI { 1583} (( segid " " and resid 11 and name HG12)) (( segid " " and resid 11 and name HB )) 5.500 3.800 0.000 peak 1583 weight 0.10000E+01 volume -0.62170E+07 ppm1 1.248 ppm2 1.047 ASSI { 1589} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HB2 )) 1.700 0.400 0.500 peak 1589 weight 0.10000E+01 volume 0.47380E+07 ppm1 1.383 ppm2 1.500 ASSI { 1593} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 1593 weight 0.10000E+01 volume 0.71060E+06 ppm1 2.334 ppm2 2.830 ASSI { 1594} (( segid " " and resid 31 and name HB3 )) ( segid " " and resid 31 and name HD% ) 2.600 0.800 0.800 peak 1594 weight 0.10000E+01 volume 0.42200E+06 ppm1 2.334 ppm2 6.845 ASSI { 1595} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 1595 weight 0.10000E+01 volume 0.27810E+06 ppm1 2.334 ppm2 4.889 ASSI { 1600} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) 2.400 0.700 0.700 peak 1600 weight 0.10000E+01 volume 0.58360E+06 ppm1 4.292 ppm2 2.125 ASSI { 1606} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HG )) 1.800 1.800 3.700 peak 1606 weight 0.10000E+01 volume 0.32080E+07 ppm1 1.356 ppm2 1.508 ASSI { 1608} (( segid " " and resid 83 and name HG )) ( segid " " and resid 83 and name HD1%) 2.200 0.600 0.600 peak 1608 weight 0.10000E+01 volume 0.10460E+07 ppm1 1.495 ppm2 0.882 ASSI { 1614} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 78 and name HB2 )) 1.700 0.400 0.500 peak 1614 weight 0.10000E+01 volume 0.48140E+07 ppm1 1.521 ppm2 1.783 ASSI { 1615} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB3 )) 2.400 0.700 0.700 peak 1615 weight 0.10000E+01 volume 0.70030E+06 ppm1 3.416 ppm2 1.409 ASSI { 1617} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB2 )) 2.400 0.700 0.700 peak 1617 weight 0.10000E+01 volume 0.56780E+06 ppm1 3.416 ppm2 1.936 ASSI { 1620} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HB3 )) 2.300 0.700 0.700 peak 1620 weight 0.10000E+01 volume 0.86850E+06 ppm1 1.938 ppm2 1.395 ASSI { 1624} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD% ) 2.500 0.800 0.800 peak 1624 weight 0.10000E+01 volume 0.46160E+06 ppm1 2.806 ppm2 6.667 ASSI { 1626} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 54 and name HD% ) 2.700 0.900 0.900 peak 1626 weight 0.10000E+01 volume 0.32310E+06 ppm1 2.612 ppm2 6.667 ASSI { 1628} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HB2 )) 2.100 0.600 0.600 peak 1628 weight 0.10000E+01 volume 0.15020E+07 ppm1 2.612 ppm2 2.780 ASSI { 1637} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HB3 )) 1.800 0.400 0.400 peak 1637 weight 0.10000E+01 volume 0.36220E+07 ppm1 1.639 ppm2 1.398 ASSI { 1639} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HD3 )) 2.700 0.900 0.900 peak 1639 weight 0.10000E+01 volume 0.32690E+06 ppm1 1.373 ppm2 2.681 OR { 1639} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HD2 )) ASSI { 1640} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HG2 )) 1.700 0.400 0.500 peak 1640 weight 0.10000E+01 volume 0.57100E+07 ppm1 1.373 ppm2 1.572 ASSI { 1641} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HA )) 3.100 1.200 1.200 peak 1641 weight 0.10000E+01 volume 0.13010E+06 ppm1 1.373 ppm2 5.240 ASSI { 1643} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 87 and name HA )) 2.700 0.900 0.900 peak 1643 weight 0.10000E+01 volume 0.34610E+06 ppm1 1.559 ppm2 5.220 ASSI { 1645} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG2 )) 2.200 0.600 0.600 peak 1645 weight 0.10000E+01 volume 0.11300E+07 ppm1 2.141 ppm2 2.273 ASSI { 1647} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HB3 )) 1.600 0.300 0.600 peak 1647 weight 0.10000E+01 volume 0.81900E+07 ppm1 2.141 ppm2 1.971 ASSI { 1649} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HG3 )) 1.500 0.300 0.700 peak 1649 weight 0.10000E+01 volume 0.11300E+08 ppm1 2.298 ppm2 2.129 ASSI { 1651} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 23 and name HA )) 2.900 1.100 1.100 peak 1651 weight 0.10000E+01 volume 0.21540E+06 ppm1 2.148 ppm2 4.268 ASSI { 1652} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 11 and name HG2%) 5.500 3.800 0.000 peak 1652 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.092 ppm2 0.496 ASSI { 1653} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 5.500 3.800 0.000 peak 1653 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.929 ppm2 1.955 OR { 1653} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) ASSI { 4} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.600 0.800 0.800 peak 4 weight 0.10000E+01 volume 0.27860E+07 ppm1 8.015 ppm2 3.933 ASSI { 5} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) 2.300 0.700 0.700 peak 5 weight 0.10000E+01 volume 0.58850E+07 ppm1 8.015 ppm2 1.967 ASSI { 6} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG2 )) 2.600 0.800 0.800 peak 6 weight 0.10000E+01 volume 0.32990E+07 ppm1 8.015 ppm2 2.270 OR { 6} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG3 )) ASSI { 7} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.600 2.600 2.900 peak 7 weight 0.10000E+01 volume 0.27670E+07 ppm1 8.015 ppm2 2.069 ASSI { 8} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.100 1.200 1.200 peak 8 weight 0.10000E+01 volume 0.99770E+06 ppm1 8.018 ppm2 1.459 ASSI { 9} (( segid " " and resid 110 and name HN )) ( segid " " and resid 107 and name HG2%) 3.100 3.100 2.400 peak 9 weight 0.10000E+01 volume 0.10060E+07 ppm1 8.015 ppm2 0.716 ASSI { 10} (( segid " " and resid 110 and name HN )) (( segid " " and resid 107 and name HA )) 3.500 1.500 1.500 peak 10 weight 0.10000E+01 volume 0.48120E+06 ppm1 8.015 ppm2 3.343 ASSI { 11} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 2.900 2.900 2.600 peak 11 weight 0.10000E+01 volume 0.14730E+07 ppm1 8.015 ppm2 8.372 ASSI { 13} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 13 weight 0.10000E+01 volume 0.17560E+07 ppm1 7.983 ppm2 4.352 ASSI { 14} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.600 0.800 0.800 peak 14 weight 0.10000E+01 volume 0.27730E+07 ppm1 7.983 ppm2 3.898 ASSI { 15} (( segid " " and resid 26 and name HN )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 15 weight 0.10000E+01 volume 0.17440E+07 ppm1 7.983 ppm2 8.731 ASSI { 16} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.800 2.800 2.700 peak 16 weight 0.10000E+01 volume 0.19370E+07 ppm1 7.983 ppm2 0.632 ASSI { 18} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB3 )) 2.600 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.31730E+07 ppm1 7.983 ppm2 1.314 ASSI { 19} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB3 )) 3.200 1.300 1.300 peak 19 weight 0.10000E+01 volume 0.90390E+06 ppm1 7.983 ppm2 -0.423 ASSI { 23} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 2.600 0.800 0.800 peak 23 weight 0.10000E+01 volume 0.31160E+07 ppm1 7.981 ppm2 5.226 ASSI { 25} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB )) 2.900 1.100 1.100 peak 25 weight 0.10000E+01 volume 0.14480E+07 ppm1 7.981 ppm2 0.937 ASSI { 27} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG3 )) 3.200 1.300 1.300 peak 27 weight 0.10000E+01 volume 0.91410E+06 ppm1 7.981 ppm2 0.731 OR { 27} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) ASSI { 28} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 28 weight 0.10000E+01 volume 0.84630E+06 ppm1 7.981 ppm2 4.828 ASSI { 31} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD2 )) 3.100 1.200 1.200 peak 31 weight 0.10000E+01 volume 0.11020E+07 ppm1 7.981 ppm2 0.531 OR { 31} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD3 )) ASSI { 32} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.100 3.100 2.400 peak 32 weight 0.10000E+01 volume 0.10450E+07 ppm1 7.981 ppm2 1.576 ASSI { 33} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HG2%) 3.500 1.500 1.500 peak 33 weight 0.10000E+01 volume 0.46270E+06 ppm1 7.981 ppm2 -0.171 ASSI { 34} (( segid " " and resid 37 and name HN )) (( segid " " and resid 57 and name HN )) 3.200 1.300 1.300 peak 34 weight 0.10000E+01 volume 0.85830E+06 ppm1 7.981 ppm2 8.823 ASSI { 35} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB3 )) 3.500 1.500 1.500 peak 35 weight 0.10000E+01 volume 0.49690E+06 ppm1 7.981 ppm2 1.364 ASSI { 39} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.000 2.000 3.500 peak 39 weight 0.10000E+01 volume 0.13270E+08 ppm1 7.929 ppm2 2.009 OR { 39} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) ASSI { 41} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 2.500 0.800 0.800 peak 41 weight 0.10000E+01 volume 0.40980E+07 ppm1 7.929 ppm2 3.966 ASSI { 42} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HB% ) 2.300 2.300 3.200 peak 42 weight 0.10000E+01 volume 0.68890E+07 ppm1 7.929 ppm2 1.436 ASSI { 43} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.900 1.100 1.100 peak 43 weight 0.10000E+01 volume 0.16500E+07 ppm1 7.929 ppm2 4.131 ASSI { 44} (( segid " " and resid 109 and name HN )) (( segid " " and resid 106 and name HA )) 2.900 1.100 1.100 peak 44 weight 0.10000E+01 volume 0.15820E+07 ppm1 7.929 ppm2 4.262 ASSI { 45} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HG2 )) 2.800 1.000 1.000 peak 45 weight 0.10000E+01 volume 0.20610E+07 ppm1 7.929 ppm2 2.273 ASSI { 46} (( segid " " and resid 109 and name HN )) (( segid " " and resid 107 and name HB )) 3.900 1.900 1.600 peak 46 weight 0.10000E+01 volume 0.28110E+06 ppm1 7.929 ppm2 1.719 ASSI { 47} (( segid " " and resid 109 and name HN )) ( segid " " and resid 107 and name HG2%) 3.100 1.200 1.200 peak 47 weight 0.10000E+01 volume 0.98780E+06 ppm1 7.929 ppm2 0.742 ASSI { 48} (( segid " " and resid 109 and name HN )) (( segid " " and resid 107 and name HN )) 3.300 1.400 1.400 peak 48 weight 0.10000E+01 volume 0.69800E+06 ppm1 7.929 ppm2 8.593 ASSI { 51} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.300 0.700 0.700 peak 51 weight 0.10000E+01 volume 0.69420E+07 ppm1 7.888 ppm2 4.539 ASSI { 52} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB3 )) 2.400 0.700 0.700 peak 52 weight 0.10000E+01 volume 0.48650E+07 ppm1 7.888 ppm2 2.316 ASSI { 53} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.500 2.500 3.000 peak 53 weight 0.10000E+01 volume 0.37690E+07 ppm1 7.888 ppm2 1.278 ASSI { 54} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 2.600 0.800 0.800 peak 54 weight 0.10000E+01 volume 0.27500E+07 ppm1 7.888 ppm2 2.550 ASSI { 55} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.700 0.900 0.900 peak 55 weight 0.10000E+01 volume 0.25930E+07 ppm1 7.888 ppm2 7.442 ASSI { 56} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.900 1.100 1.100 peak 56 weight 0.10000E+01 volume 0.15200E+07 ppm1 7.888 ppm2 3.702 ASSI { 57} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB3 )) 2.900 2.900 2.600 peak 57 weight 0.10000E+01 volume 0.15260E+07 ppm1 7.888 ppm2 1.015 ASSI { 60} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG3 )) 4.500 2.500 1.000 peak 60 weight 0.10000E+01 volume 0.11130E+06 ppm1 7.888 ppm2 1.464 OR { 60} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG2 )) ASSI { 62} (( segid " " and resid 91 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 2.600 2.900 peak 62 weight 0.10000E+01 volume 0.28830E+07 ppm1 7.442 ppm2 4.603 ASSI { 64} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HD3 )) 2.500 2.500 3.000 peak 64 weight 0.10000E+01 volume 0.34340E+07 ppm1 7.442 ppm2 3.433 OR { 64} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HD2 )) ASSI { 65} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.600 0.800 0.800 peak 65 weight 0.10000E+01 volume 0.30200E+07 ppm1 7.442 ppm2 1.258 ASSI { 67} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 3.200 1.300 1.300 peak 67 weight 0.10000E+01 volume 0.87200E+06 ppm1 7.442 ppm2 3.724 ASSI { 68} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB3 )) 3.000 1.100 1.100 peak 68 weight 0.10000E+01 volume 0.12990E+07 ppm1 7.442 ppm2 1.038 ASSI { 69} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HN )) 3.300 3.300 2.200 peak 69 weight 0.10000E+01 volume 0.66620E+06 ppm1 7.442 ppm2 9.158 ASSI { 70} (( segid " " and resid 91 and name HN )) ( segid " " and resid 18 and name HG1%) 3.600 1.600 1.600 peak 70 weight 0.10000E+01 volume 0.40050E+06 ppm1 7.442 ppm2 0.665 ASSI { 71} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG2 )) 4.200 2.200 1.300 peak 71 weight 0.10000E+01 volume 0.16090E+06 ppm1 7.442 ppm2 1.476 OR { 71} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HG3 )) ASSI { 72} (( segid " " and resid 91 and name HN )) (( segid " " and resid 16 and name HB3 )) 4.100 2.100 1.400 peak 72 weight 0.10000E+01 volume 0.20630E+06 ppm1 7.442 ppm2 1.999 ASSI { 73} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HE2 )) 4.000 2.000 1.500 peak 73 weight 0.10000E+01 volume 0.21300E+06 ppm1 7.442 ppm2 2.578 OR { 73} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HE3 )) ASSI { 77} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HB% ) 2.100 0.600 0.600 peak 77 weight 0.10000E+01 volume 0.10180E+08 ppm1 7.452 ppm2 1.441 ASSI { 78} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 78 weight 0.10000E+01 volume 0.41790E+07 ppm1 7.452 ppm2 7.946 ASSI { 79} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 79 weight 0.10000E+01 volume 0.43810E+07 ppm1 7.452 ppm2 4.108 ASSI { 80} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HG2%) 2.400 0.700 0.700 peak 80 weight 0.10000E+01 volume 0.43740E+07 ppm1 7.452 ppm2 0.729 ASSI { 81} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 2.800 peak 81 weight 0.10000E+01 volume 0.26260E+07 ppm1 7.452 ppm2 1.981 OR { 81} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HB3 )) ASSI { 82} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 2.800 1.000 1.000 peak 82 weight 0.10000E+01 volume 0.19710E+07 ppm1 7.452 ppm2 8.598 ASSI { 83} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 83 weight 0.10000E+01 volume 0.87900E+06 ppm1 7.452 ppm2 3.923 ASSI { 84} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB )) 2.800 1.000 1.000 peak 84 weight 0.10000E+01 volume 0.18430E+07 ppm1 7.452 ppm2 1.743 ASSI { 85} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 3.300 1.400 1.400 peak 85 weight 0.10000E+01 volume 0.65130E+06 ppm1 7.452 ppm2 3.347 ASSI { 89} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.600 0.800 0.800 peak 89 weight 0.10000E+01 volume 0.30460E+07 ppm1 8.533 ppm2 4.894 ASSI { 91} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 91 weight 0.10000E+01 volume 0.20980E+07 ppm1 8.533 ppm2 1.046 ASSI { 92} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB3 )) 3.000 1.100 1.100 peak 92 weight 0.10000E+01 volume 0.13180E+07 ppm1 8.533 ppm2 0.788 ASSI { 93} (( segid " " and resid 32 and name HN )) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 93 weight 0.10000E+01 volume 0.13000E+07 ppm1 8.533 ppm2 6.954 ASSI { 94} (( segid " " and resid 32 and name HN )) (( segid " " and resid 103 and name HZ3 )) 3.400 1.400 1.400 peak 94 weight 0.10000E+01 volume 0.61690E+06 ppm1 8.533 ppm2 6.436 ASSI { 95} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HD2%) 3.400 1.400 1.400 peak 95 weight 0.10000E+01 volume 0.64510E+06 ppm1 8.533 ppm2 0.065 OR { 95} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HD1%) ASSI { 96} (( segid " " and resid 32 and name HN )) (( segid " " and resid 13 and name HA )) 3.900 1.900 1.600 peak 96 weight 0.10000E+01 volume 0.25040E+06 ppm1 8.533 ppm2 5.566 ASSI { 97} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB3 )) 3.800 1.800 1.700 peak 97 weight 0.10000E+01 volume 0.31590E+06 ppm1 8.533 ppm2 2.374 ASSI { 99} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 99 weight 0.10000E+01 volume 0.10410E+07 ppm1 8.469 ppm2 4.196 ASSI { 100} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 3.100 1.200 1.200 peak 100 weight 0.10000E+01 volume 0.10730E+07 ppm1 8.469 ppm2 1.203 ASSI { 104} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB3 )) 2.300 0.700 0.700 peak 104 weight 0.10000E+01 volume 0.68770E+07 ppm1 8.440 ppm2 1.617 ASSI { 105} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.300 0.700 0.700 peak 105 weight 0.10000E+01 volume 0.60420E+07 ppm1 8.440 ppm2 4.674 ASSI { 107} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG3 )) 3.000 1.100 1.100 peak 107 weight 0.10000E+01 volume 0.12660E+07 ppm1 8.440 ppm2 2.093 OR { 107} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG2 )) ASSI { 108} (( segid " " and resid 58 and name HN )) ( segid " " and resid 62 and name HD% ) 3.400 3.400 2.100 peak 108 weight 0.10000E+01 volume 0.63110E+06 ppm1 8.440 ppm2 6.898 ASSI { 109} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 109 weight 0.10000E+01 volume 0.83050E+06 ppm1 8.440 ppm2 4.516 ASSI { 110} (( segid " " and resid 58 and name HN )) ( segid " " and resid 83 and name HD2%) 3.200 1.300 1.300 peak 110 weight 0.10000E+01 volume 0.82060E+06 ppm1 8.440 ppm2 0.720 OR { 110} (( segid " " and resid 58 and name HN )) ( segid " " and resid 83 and name HD1%) ASSI { 111} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HD1%) 3.700 1.700 1.700 peak 111 weight 0.10000E+01 volume 0.37270E+06 ppm1 8.440 ppm2 -0.180 ASSI { 117} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB3 )) 2.900 1.100 1.100 peak 117 weight 0.10000E+01 volume 0.16620E+07 ppm1 8.420 ppm2 3.638 OR { 117} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) ASSI { 118} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 3.400 1.400 1.400 peak 118 weight 0.10000E+01 volume 0.56950E+06 ppm1 8.420 ppm2 5.059 ASSI { 119} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 3.300 1.400 1.400 peak 119 weight 0.10000E+01 volume 0.76050E+06 ppm1 8.420 ppm2 2.722 ASSI { 120} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB3 )) 3.700 1.700 1.700 peak 120 weight 0.10000E+01 volume 0.37020E+06 ppm1 8.420 ppm2 2.575 ASSI { 122} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.300 0.700 0.700 peak 122 weight 0.10000E+01 volume 0.60500E+07 ppm1 8.141 ppm2 1.587 ASSI { 123} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.500 0.800 0.800 peak 123 weight 0.10000E+01 volume 0.33560E+07 ppm1 8.141 ppm2 3.753 ASSI { 124} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.500 2.500 3.000 peak 124 weight 0.10000E+01 volume 0.41630E+07 ppm1 8.141 ppm2 1.727 ASSI { 125} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 125 weight 0.10000E+01 volume 0.22960E+07 ppm1 8.141 ppm2 8.577 ASSI { 127} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 3.000 3.000 2.500 peak 127 weight 0.10000E+01 volume 0.11860E+07 ppm1 8.141 ppm2 3.937 ASSI { 128} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG3 )) 3.000 1.100 1.100 peak 128 weight 0.10000E+01 volume 0.11760E+07 ppm1 8.141 ppm2 1.233 OR { 128} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG2 )) ASSI { 130} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.000 0.500 0.500 peak 130 weight 0.10000E+01 volume 0.13930E+08 ppm1 7.865 ppm2 1.983 ASSI { 131} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.200 2.200 3.300 peak 131 weight 0.10000E+01 volume 0.81190E+07 ppm1 7.865 ppm2 3.985 ASSI { 133} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) 2.400 0.700 0.700 peak 133 weight 0.10000E+01 volume 0.45070E+07 ppm1 7.865 ppm2 2.208 OR { 133} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) ASSI { 134} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 2.700 0.900 0.900 peak 134 weight 0.10000E+01 volume 0.22250E+07 ppm1 7.865 ppm2 8.379 ASSI { 137} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.300 0.700 0.700 peak 137 weight 0.10000E+01 volume 0.69920E+07 ppm1 7.799 ppm2 2.939 OR { 137} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) ASSI { 139} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.500 0.800 0.800 peak 139 weight 0.10000E+01 volume 0.39000E+07 ppm1 7.799 ppm2 4.197 ASSI { 140} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HD% ) 3.100 1.200 1.200 peak 140 weight 0.10000E+01 volume 0.11260E+07 ppm1 7.799 ppm2 6.953 ASSI { 150} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 5.500 3.800 0.000 peak 150 weight 0.10000E+01 volume -0.24980E+07 ppm1 7.824 ppm2 4.124 ASSI { 151} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HD2 )) 2.100 0.600 0.600 peak 151 weight 0.10000E+01 volume 0.10420E+08 ppm1 7.783 ppm2 1.636 ASSI { 152} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.100 2.100 3.400 peak 152 weight 0.10000E+01 volume 0.97440E+07 ppm1 7.783 ppm2 3.942 ASSI { 154} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB3 )) 2.300 0.700 0.700 peak 154 weight 0.10000E+01 volume 0.60190E+07 ppm1 7.783 ppm2 1.985 ASSI { 156} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HE2 )) 2.900 1.100 1.100 peak 156 weight 0.10000E+01 volume 0.14820E+07 ppm1 7.783 ppm2 2.248 OR { 156} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HE3 )) ASSI { 158} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.500 0.800 0.800 peak 158 weight 0.10000E+01 volume 0.35640E+07 ppm1 7.775 ppm2 4.086 ASSI { 160} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.900 1.100 1.100 peak 160 weight 0.10000E+01 volume 0.16870E+07 ppm1 7.775 ppm2 1.536 ASSI { 161} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.900 1.100 1.100 peak 161 weight 0.10000E+01 volume 0.14970E+07 ppm1 7.775 ppm2 1.665 ASSI { 162} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG2 )) 3.200 1.300 1.300 peak 162 weight 0.10000E+01 volume 0.82970E+06 ppm1 7.775 ppm2 1.888 OR { 162} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HG3 )) ASSI { 163} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HD3 )) 3.700 1.700 1.700 peak 163 weight 0.10000E+01 volume 0.37740E+06 ppm1 7.775 ppm2 2.934 OR { 163} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HD2 )) ASSI { 166} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.100 2.100 3.400 peak 166 weight 0.10000E+01 volume 0.11030E+08 ppm1 8.353 ppm2 4.519 ASSI { 167} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA1 )) 2.700 0.900 0.900 peak 167 weight 0.10000E+01 volume 0.23340E+07 ppm1 8.353 ppm2 3.720 ASSI { 168} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA2 )) 2.900 1.100 1.100 peak 168 weight 0.10000E+01 volume 0.14930E+07 ppm1 8.353 ppm2 3.529 ASSI { 169} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB3 )) 2.900 2.900 2.600 peak 169 weight 0.10000E+01 volume 0.14490E+07 ppm1 8.353 ppm2 1.451 ASSI { 171} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.300 1.400 1.400 peak 171 weight 0.10000E+01 volume 0.75910E+06 ppm1 8.353 ppm2 1.666 ASSI { 172} (( segid " " and resid 21 and name HN )) ( segid " " and resid 86 and name HD% ) 3.500 3.500 2.000 peak 172 weight 0.10000E+01 volume 0.49700E+06 ppm1 8.353 ppm2 6.620 ASSI { 173} (( segid " " and resid 21 and name HN )) (( segid " " and resid 86 and name HA )) 3.700 1.700 1.700 peak 173 weight 0.10000E+01 volume 0.37590E+06 ppm1 8.353 ppm2 5.731 ASSI { 174} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 174 weight 0.10000E+01 volume 0.17860E+07 ppm1 8.331 ppm2 3.481 ASSI { 175} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HG1%) 2.300 0.700 0.700 peak 175 weight 0.10000E+01 volume 0.55010E+07 ppm1 8.331 ppm2 0.954 ASSI { 176} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.600 0.800 0.800 peak 176 weight 0.10000E+01 volume 0.30000E+07 ppm1 8.331 ppm2 2.967 ASSI { 177} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB )) 2.500 0.800 0.800 peak 177 weight 0.10000E+01 volume 0.36830E+07 ppm1 8.331 ppm2 1.762 ASSI { 179} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 179 weight 0.10000E+01 volume 0.24580E+07 ppm1 8.331 ppm2 8.580 ASSI { 181} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.400 1.400 1.400 peak 181 weight 0.10000E+01 volume 0.57040E+06 ppm1 8.331 ppm2 3.935 ASSI { 183} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HG2%) 2.900 1.100 1.100 peak 183 weight 0.10000E+01 volume 0.14220E+07 ppm1 8.331 ppm2 0.496 ASSI { 186} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HB2 )) 5.500 3.800 0.000 peak 186 weight 0.10000E+01 volume -0.45740E+06 ppm1 8.332 ppm2 1.920 ASSI { 187} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG2 )) 2.500 0.800 0.800 peak 187 weight 0.10000E+01 volume 0.39300E+07 ppm1 8.296 ppm2 3.471 OR { 187} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG3 )) ASSI { 189} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB3 )) 2.400 2.400 3.100 peak 189 weight 0.10000E+01 volume 0.43080E+07 ppm1 8.296 ppm2 1.532 ASSI { 192} (( segid " " and resid 79 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 192 weight 0.10000E+01 volume 0.22560E+07 ppm1 8.296 ppm2 4.643 ASSI { 194} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB3 )) 2.900 1.100 1.100 peak 194 weight 0.10000E+01 volume 0.15310E+07 ppm1 8.296 ppm2 1.874 ASSI { 200} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.200 0.600 0.600 peak 200 weight 0.10000E+01 volume 0.83730E+07 ppm1 8.291 ppm2 4.329 ASSI { 201} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB3 )) 2.300 0.700 0.700 peak 201 weight 0.10000E+01 volume 0.56360E+07 ppm1 8.291 ppm2 3.728 OR { 201} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI { 202} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.500 0.800 0.800 peak 202 weight 0.10000E+01 volume 0.41350E+07 ppm1 8.291 ppm2 1.915 ASSI { 203} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB3 )) 2.700 0.900 0.900 peak 203 weight 0.10000E+01 volume 0.22160E+07 ppm1 8.291 ppm2 1.210 ASSI { 204} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 3.100 1.200 1.200 peak 204 weight 0.10000E+01 volume 0.10050E+07 ppm1 8.291 ppm2 4.870 ASSI { 207} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 207 weight 0.10000E+01 volume 0.20120E+07 ppm1 8.356 ppm2 5.574 ASSI { 210} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.900 1.100 1.100 peak 210 weight 0.10000E+01 volume 0.15470E+07 ppm1 8.356 ppm2 4.528 ASSI { 211} (( segid " " and resid 14 and name HN )) (( segid " " and resid 103 and name HZ3 )) 3.500 3.500 2.000 peak 211 weight 0.10000E+01 volume 0.47470E+06 ppm1 8.356 ppm2 6.450 ASSI { 212} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) 3.800 1.800 1.700 peak 212 weight 0.10000E+01 volume 0.29810E+06 ppm1 8.356 ppm2 2.537 ASSI { 213} (( segid " " and resid 14 and name HN )) ( segid " " and resid 30 and name HG1%) 4.100 2.100 1.400 peak 213 weight 0.10000E+01 volume 0.19440E+06 ppm1 8.356 ppm2 0.542 ASSI { 214} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HD2 )) 4.100 2.100 1.400 peak 214 weight 0.10000E+01 volume 0.20020E+06 ppm1 8.356 ppm2 6.310 ASSI { 215} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB3 )) 4.100 2.100 1.400 peak 215 weight 0.10000E+01 volume 0.20100E+06 ppm1 8.356 ppm2 2.022 ASSI { 217} (( segid " " and resid 14 and name HN )) (( segid " " and resid 32 and name HN )) 4.900 3.000 0.600 peak 217 weight 0.10000E+01 volume 0.64210E+05 ppm1 8.356 ppm2 8.566 ASSI { 221} (( segid " " and resid 27 and name HN )) (( segid " " and resid 43 and name HA )) 2.300 2.300 3.200 peak 221 weight 0.10000E+01 volume 0.68990E+07 ppm1 8.362 ppm2 4.532 ASSI { 222} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.200 0.600 0.600 peak 222 weight 0.10000E+01 volume 0.75800E+07 ppm1 8.362 ppm2 1.387 ASSI { 223} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.400 0.700 0.700 peak 223 weight 0.10000E+01 volume 0.47780E+07 ppm1 8.362 ppm2 4.347 ASSI { 224} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.800 1.000 1.000 peak 224 weight 0.10000E+01 volume 0.17880E+07 ppm1 8.362 ppm2 1.489 ASSI { 226} (( segid " " and resid 27 and name HN )) (( segid " " and resid 17 and name HA )) 5.500 3.800 0.000 peak 226 weight 0.10000E+01 volume -0.61440E+06 ppm1 8.362 ppm2 4.211 ASSI { 227} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 3.800 1.800 1.700 peak 227 weight 0.10000E+01 volume 0.28460E+06 ppm1 8.362 ppm2 9.069 ASSI { 230} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 2.300 0.700 0.700 peak 230 weight 0.10000E+01 volume 0.60000E+07 ppm1 8.371 ppm2 2.170 ASSI { 231} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG2 )) 2.800 1.000 1.000 peak 231 weight 0.10000E+01 volume 0.20480E+07 ppm1 8.371 ppm2 2.482 OR { 231} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG3 )) ASSI { 232} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.500 0.800 0.800 peak 232 weight 0.10000E+01 volume 0.41050E+07 ppm1 8.371 ppm2 4.074 ASSI { 233} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB3 )) 2.300 2.300 3.200 peak 233 weight 0.10000E+01 volume 0.58390E+07 ppm1 8.371 ppm2 1.961 ASSI { 236} (( segid " " and resid 111 and name HN )) (( segid " " and resid 11 and name HG13)) 3.600 3.600 1.900 peak 236 weight 0.10000E+01 volume 0.44950E+06 ppm1 8.371 ppm2 0.759 ASSI { 240} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 3.400 1.400 1.400 peak 240 weight 0.10000E+01 volume 0.61050E+06 ppm1 8.371 ppm2 3.945 ASSI { 244} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 2.300 0.700 0.700 peak 244 weight 0.10000E+01 volume 0.55180E+07 ppm1 8.279 ppm2 4.865 ASSI { 245} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.500 2.500 3.000 peak 245 weight 0.10000E+01 volume 0.34190E+07 ppm1 8.279 ppm2 3.752 OR { 245} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB3 )) ASSI { 246} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD% ) 3.000 1.100 1.100 peak 246 weight 0.10000E+01 volume 0.11710E+07 ppm1 8.279 ppm2 6.610 ASSI { 247} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB3 )) 2.700 0.900 0.900 peak 247 weight 0.10000E+01 volume 0.21350E+07 ppm1 8.279 ppm2 2.661 OR { 247} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 248} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 3.000 1.100 1.100 peak 248 weight 0.10000E+01 volume 0.13100E+07 ppm1 8.279 ppm2 5.725 ASSI { 249} (( segid " " and resid 86 and name HN )) (( segid " " and resid 76 and name HN )) 2.900 1.100 1.100 peak 249 weight 0.10000E+01 volume 0.15190E+07 ppm1 8.279 ppm2 8.822 ASSI { 250} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.100 1.200 1.200 peak 250 weight 0.10000E+01 volume 0.98240E+06 ppm1 8.279 ppm2 1.815 ASSI { 252} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 5.500 3.800 0.000 peak 252 weight 0.10000E+01 volume -0.42060E+06 ppm1 8.279 ppm2 1.985 ASSI { 253} (( segid " " and resid 86 and name HN )) (( segid " " and resid 77 and name HA )) 4.100 2.100 1.400 peak 253 weight 0.10000E+01 volume 0.19540E+06 ppm1 8.279 ppm2 5.108 ASSI { 254} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.200 0.600 0.600 peak 254 weight 0.10000E+01 volume 0.85960E+07 ppm1 7.405 ppm2 2.969 ASSI { 255} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 2.400 0.700 0.700 peak 255 weight 0.10000E+01 volume 0.47270E+07 ppm1 7.405 ppm2 8.293 ASSI { 257} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.400 0.700 0.700 peak 257 weight 0.10000E+01 volume 0.42830E+07 ppm1 7.405 ppm2 3.921 ASSI { 258} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.700 0.900 0.900 peak 258 weight 0.10000E+01 volume 0.26290E+07 ppm1 7.405 ppm2 1.919 ASSI { 260} (( segid " " and resid 98 and name HN )) ( segid " " and resid 99 and name HG1%) 3.200 1.300 1.300 peak 260 weight 0.10000E+01 volume 0.83880E+06 ppm1 7.405 ppm2 0.967 ASSI { 261} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HN )) 3.300 1.400 1.400 peak 261 weight 0.10000E+01 volume 0.69020E+06 ppm1 7.405 ppm2 6.954 ASSI { 262} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HN )) 3.600 1.600 1.600 peak 262 weight 0.10000E+01 volume 0.41090E+06 ppm1 7.405 ppm2 8.576 ASSI { 264} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HA )) 2.600 2.600 2.900 peak 264 weight 0.10000E+01 volume 0.31860E+07 ppm1 8.253 ppm2 4.533 ASSI { 266} (( segid " " and resid 68 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 2.700 2.800 peak 266 weight 0.10000E+01 volume 0.26170E+07 ppm1 7.353 ppm2 4.527 ASSI { 268} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 2.500 0.800 0.800 peak 268 weight 0.10000E+01 volume 0.41320E+07 ppm1 8.250 ppm2 1.799 ASSI { 269} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG2 )) 2.500 2.500 3.000 peak 269 weight 0.10000E+01 volume 0.39550E+07 ppm1 8.250 ppm2 2.081 OR { 269} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG3 )) ASSI { 270} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.800 1.000 1.000 peak 270 weight 0.10000E+01 volume 0.20130E+07 ppm1 8.250 ppm2 3.937 ASSI { 272} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 2.900 2.900 2.600 peak 272 weight 0.10000E+01 volume 0.14730E+07 ppm1 8.250 ppm2 7.724 ASSI { 285} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HD2 )) 2.300 2.300 3.200 peak 285 weight 0.10000E+01 volume 0.70060E+07 ppm1 7.771 ppm2 4.282 OR { 285} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HD3 )) ASSI { 286} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB3 )) 2.600 0.800 0.800 peak 286 weight 0.10000E+01 volume 0.31490E+07 ppm1 7.771 ppm2 3.615 OR { 286} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) ASSI { 287} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HG3 )) 2.700 0.900 0.900 peak 287 weight 0.10000E+01 volume 0.22770E+07 ppm1 7.771 ppm2 1.726 ASSI { 288} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.500 0.800 0.800 peak 288 weight 0.10000E+01 volume 0.38290E+07 ppm1 7.771 ppm2 4.495 ASSI { 290} (( segid " " and resid 50 and name HN )) (( segid " " and resid 43 and name HN )) 3.200 1.300 1.300 peak 290 weight 0.10000E+01 volume 0.79620E+06 ppm1 7.771 ppm2 8.724 ASSI { 291} (( segid " " and resid 50 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.300 1.400 1.400 peak 291 weight 0.10000E+01 volume 0.67740E+06 ppm1 7.771 ppm2 2.636 ASSI { 293} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HN )) 5.500 3.800 0.000 peak 293 weight 0.10000E+01 volume 0.26490E+05 ppm1 7.771 ppm2 8.437 ASSI { 300} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.400 0.700 0.700 peak 300 weight 0.10000E+01 volume 0.48760E+07 ppm1 7.741 ppm2 4.092 ASSI { 301} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB3 )) 2.500 0.800 0.800 peak 301 weight 0.10000E+01 volume 0.33610E+07 ppm1 7.741 ppm2 1.792 ASSI { 302} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG3 )) 2.900 1.100 1.100 peak 302 weight 0.10000E+01 volume 0.14700E+07 ppm1 7.741 ppm2 2.098 OR { 302} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG2 )) ASSI { 303} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.400 1.400 1.400 peak 303 weight 0.10000E+01 volume 0.62130E+06 ppm1 7.741 ppm2 1.896 ASSI { 304} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 5.500 3.800 0.000 peak 304 weight 0.10000E+01 volume -0.76300E+06 ppm1 7.741 ppm2 7.628 ASSI { 307} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 307 weight 0.10000E+01 volume 0.26030E+07 ppm1 9.055 ppm2 4.660 ASSI { 309} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB )) 2.800 1.000 1.000 peak 309 weight 0.10000E+01 volume 0.18740E+07 ppm1 9.055 ppm2 1.490 ASSI { 310} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) 2.500 0.800 0.800 peak 310 weight 0.10000E+01 volume 0.40570E+07 ppm1 9.055 ppm2 0.736 ASSI { 311} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HG2%) 3.100 1.200 1.200 peak 311 weight 0.10000E+01 volume 0.11020E+07 ppm1 9.055 ppm2 0.539 ASSI { 312} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 312 weight 0.10000E+01 volume 0.78850E+06 ppm1 9.055 ppm2 4.189 ASSI { 314} (( segid " " and resid 74 and name HN )) ( segid " " and resid 88 and name HD1%) 4.700 2.800 0.800 peak 314 weight 0.10000E+01 volume 0.90140E+05 ppm1 9.055 ppm2 -0.810 ASSI { 316} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.300 0.700 0.700 peak 316 weight 0.10000E+01 volume 0.56420E+07 ppm1 9.048 ppm2 4.606 ASSI { 317} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HD2%) 2.500 0.800 0.800 peak 317 weight 0.10000E+01 volume 0.35400E+07 ppm1 9.048 ppm2 0.654 ASSI { 318} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.600 2.600 2.900 peak 318 weight 0.10000E+01 volume 0.33140E+07 ppm1 9.048 ppm2 1.374 ASSI { 319} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.900 2.900 2.600 peak 319 weight 0.10000E+01 volume 0.16180E+07 ppm1 9.048 ppm2 1.558 ASSI { 320} (( segid " " and resid 28 and name HN )) (( segid " " and resid 17 and name HA )) 3.400 1.400 1.400 peak 320 weight 0.10000E+01 volume 0.57930E+06 ppm1 9.048 ppm2 4.217 ASSI { 323} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 5.300 3.500 0.200 peak 323 weight 0.10000E+01 volume 0.41600E+05 ppm1 9.048 ppm2 5.016 ASSI { 327} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.600 0.800 0.800 peak 327 weight 0.10000E+01 volume 0.32230E+07 ppm1 8.879 ppm2 4.707 ASSI { 328} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG2%) 2.900 1.100 1.100 peak 328 weight 0.10000E+01 volume 0.14710E+07 ppm1 8.879 ppm2 0.049 ASSI { 330} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.100 1.200 1.200 peak 330 weight 0.10000E+01 volume 0.99720E+06 ppm1 8.879 ppm2 2.855 ASSI { 331} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB3 )) 3.200 1.300 1.300 peak 331 weight 0.10000E+01 volume 0.80340E+06 ppm1 8.879 ppm2 2.360 ASSI { 332} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD% ) 3.400 1.400 1.400 peak 332 weight 0.10000E+01 volume 0.62130E+06 ppm1 8.879 ppm2 6.889 ASSI { 333} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG1%) 3.000 3.000 2.500 peak 333 weight 0.10000E+01 volume 0.11420E+07 ppm1 8.879 ppm2 0.463 ASSI { 335} (( segid " " and resid 77 and name HN )) (( segid " " and resid 63 and name HA )) 5.500 3.800 0.000 peak 335 weight 0.10000E+01 volume -0.44180E+07 ppm1 8.885 ppm2 4.924 ASSI { 336} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.500 0.800 0.800 peak 336 weight 0.10000E+01 volume 0.40790E+07 ppm1 8.885 ppm2 4.998 ASSI { 338} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.800 2.800 2.700 peak 338 weight 0.10000E+01 volume 0.18540E+07 ppm1 8.885 ppm2 1.939 ASSI { 340} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) 3.000 1.100 1.100 peak 340 weight 0.10000E+01 volume 0.12250E+07 ppm1 8.885 ppm2 1.598 OR { 340} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) ASSI { 342} (( segid " " and resid 29 and name HN )) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 342 weight 0.10000E+01 volume 0.12460E+07 ppm1 8.885 ppm2 8.431 ASSI { 343} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB3 )) 3.100 1.200 1.200 peak 343 weight 0.10000E+01 volume 0.94870E+06 ppm1 8.885 ppm2 2.714 OR { 343} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) ASSI { 344} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HD% ) 3.500 1.500 1.500 peak 344 weight 0.10000E+01 volume 0.51650E+06 ppm1 8.885 ppm2 6.632 ASSI { 345} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB3 )) 2.700 0.900 0.900 peak 345 weight 0.10000E+01 volume 0.24550E+07 ppm1 8.879 ppm2 0.769 ASSI { 346} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.900 1.100 1.100 peak 346 weight 0.10000E+01 volume 0.14900E+07 ppm1 8.879 ppm2 1.087 ASSI { 347} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 2.400 0.700 0.700 peak 347 weight 0.10000E+01 volume 0.49510E+07 ppm1 8.879 ppm2 4.812 ASSI { 348} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD% ) 3.000 1.100 1.100 peak 348 weight 0.10000E+01 volume 0.12340E+07 ppm1 8.879 ppm2 6.844 ASSI { 350} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB3 )) 3.200 1.300 1.300 peak 350 weight 0.10000E+01 volume 0.93710E+06 ppm1 8.879 ppm2 2.565 ASSI { 351} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.600 1.600 1.600 peak 351 weight 0.10000E+01 volume 0.42790E+06 ppm1 8.879 ppm2 3.178 ASSI { 353} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.500 0.800 0.800 peak 353 weight 0.10000E+01 volume 0.38320E+07 ppm1 7.225 ppm2 4.513 ASSI { 354} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 2.700 0.900 0.900 peak 354 weight 0.10000E+01 volume 0.23690E+07 ppm1 7.225 ppm2 1.582 ASSI { 355} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.800 1.000 1.000 peak 355 weight 0.10000E+01 volume 0.18720E+07 ppm1 7.225 ppm2 1.282 ASSI { 356} (( segid " " and resid 59 and name HN )) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 356 weight 0.10000E+01 volume 0.79390E+06 ppm1 7.225 ppm2 5.221 ASSI { 357} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.400 1.400 1.400 peak 357 weight 0.10000E+01 volume 0.63100E+06 ppm1 7.225 ppm2 3.787 ASSI { 358} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD1%) 3.400 1.400 1.400 peak 358 weight 0.10000E+01 volume 0.57600E+06 ppm1 7.225 ppm2 0.549 ASSI { 359} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG )) 3.600 1.600 1.600 peak 359 weight 0.10000E+01 volume 0.40180E+06 ppm1 7.225 ppm2 0.729 ASSI { 360} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 360 weight 0.10000E+01 volume 0.56530E+06 ppm1 7.225 ppm2 2.080 ASSI { 363} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.600 0.800 0.800 peak 363 weight 0.10000E+01 volume 0.27000E+07 ppm1 7.183 ppm2 4.331 ASSI { 364} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.400 2.400 3.100 peak 364 weight 0.10000E+01 volume 0.53160E+07 ppm1 7.183 ppm2 7.507 ASSI { 365} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.500 0.800 0.800 peak 365 weight 0.10000E+01 volume 0.35280E+07 ppm1 7.183 ppm2 1.805 OR { 365} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB3 )) ASSI { 366} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG2 )) 2.700 2.700 2.800 peak 366 weight 0.10000E+01 volume 0.25430E+07 ppm1 7.183 ppm2 1.358 OR { 366} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG3 )) ASSI { 367} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 367 weight 0.10000E+01 volume 0.24620E+07 ppm1 7.183 ppm2 8.568 ASSI { 368} (( segid " " and resid 61 and name HN )) (( segid " " and resid 58 and name HB3 )) 2.900 2.900 2.600 peak 368 weight 0.10000E+01 volume 0.15850E+07 ppm1 7.183 ppm2 1.586 ASSI { 369} (( segid " " and resid 61 and name HN )) ( segid " " and resid 62 and name HD% ) 3.100 3.100 2.400 peak 369 weight 0.10000E+01 volume 0.96150E+06 ppm1 7.183 ppm2 6.899 ASSI { 370} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.200 1.300 1.300 peak 370 weight 0.10000E+01 volume 0.91930E+06 ppm1 7.183 ppm2 2.587 ASSI { 372} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HA )) 3.700 1.700 1.700 peak 372 weight 0.10000E+01 volume 0.36260E+06 ppm1 7.183 ppm2 3.756 ASSI { 373} (( segid " " and resid 61 and name HN )) (( segid " " and resid 58 and name HG2 )) 3.700 1.700 1.700 peak 373 weight 0.10000E+01 volume 0.38380E+06 ppm1 7.183 ppm2 2.087 ASSI { 377} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.200 0.600 0.600 peak 377 weight 0.10000E+01 volume 0.75040E+07 ppm1 8.874 ppm2 4.946 ASSI { 379} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.600 0.800 0.800 peak 379 weight 0.10000E+01 volume 0.29500E+07 ppm1 8.874 ppm2 2.038 ASSI { 380} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 380 weight 0.10000E+01 volume 0.15850E+07 ppm1 8.874 ppm2 5.095 ASSI { 381} (( segid " " and resid 77 and name HN )) ( segid " " and resid 62 and name HD% ) 3.000 3.000 2.500 peak 381 weight 0.10000E+01 volume 0.12640E+07 ppm1 8.874 ppm2 6.902 ASSI { 382} (( segid " " and resid 77 and name HN )) ( segid " " and resid 75 and name HG2%) 3.000 1.100 1.100 peak 382 weight 0.10000E+01 volume 0.13140E+07 ppm1 8.874 ppm2 0.687 ASSI { 384} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.000 1.100 1.100 peak 384 weight 0.10000E+01 volume 0.13230E+07 ppm1 8.874 ppm2 1.844 ASSI { 386} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG3 )) 3.000 1.100 1.100 peak 386 weight 0.10000E+01 volume 0.11830E+07 ppm1 8.874 ppm2 2.550 OR { 386} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG2 )) ASSI { 387} (( segid " " and resid 77 and name HN )) (( segid " " and resid 65 and name HN )) 2.900 2.900 2.600 peak 387 weight 0.10000E+01 volume 0.15680E+07 ppm1 8.874 ppm2 8.556 ASSI { 394} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA1 )) 4.100 2.100 1.400 peak 394 weight 0.10000E+01 volume 0.18060E+06 ppm1 8.859 ppm2 3.747 ASSI { 395} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA2 )) 4.400 2.400 1.100 peak 395 weight 0.10000E+01 volume 0.11880E+06 ppm1 8.859 ppm2 3.480 ASSI { 396} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HD3 )) 2.600 0.800 0.800 peak 396 weight 0.10000E+01 volume 0.27510E+07 ppm1 8.819 ppm2 2.652 OR { 396} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HD2 )) ASSI { 397} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 2.400 0.700 0.700 peak 397 weight 0.10000E+01 volume 0.53400E+07 ppm1 8.819 ppm2 5.733 ASSI { 399} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HG2 )) 2.700 0.900 0.900 peak 399 weight 0.10000E+01 volume 0.21200E+07 ppm1 8.819 ppm2 0.593 ASSI { 400} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 3.100 1.200 1.200 peak 400 weight 0.10000E+01 volume 0.11370E+07 ppm1 8.819 ppm2 5.253 ASSI { 401} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HD% ) 2.900 1.100 1.100 peak 401 weight 0.10000E+01 volume 0.16030E+07 ppm1 8.819 ppm2 6.648 ASSI { 402} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB3 )) 2.900 1.100 1.100 peak 402 weight 0.10000E+01 volume 0.15730E+07 ppm1 8.819 ppm2 1.375 ASSI { 403} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 2.800 1.000 1.000 peak 403 weight 0.10000E+01 volume 0.20170E+07 ppm1 8.819 ppm2 1.619 ASSI { 405} (( segid " " and resid 87 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.100 1.200 1.200 peak 405 weight 0.10000E+01 volume 0.11300E+07 ppm1 8.819 ppm2 3.157 ASSI { 407} (( segid " " and resid 87 and name HN )) (( segid " " and resid 20 and name HA )) 3.400 1.400 1.400 peak 407 weight 0.10000E+01 volume 0.59090E+06 ppm1 8.819 ppm2 4.394 ASSI { 408} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 3.400 1.400 1.400 peak 408 weight 0.10000E+01 volume 0.55990E+06 ppm1 8.819 ppm2 9.335 ASSI { 410} (( segid " " and resid 50 and name HN )) (( segid " " and resid 43 and name HA )) 3.000 3.000 2.500 peak 410 weight 0.10000E+01 volume 0.11480E+07 ppm1 7.732 ppm2 4.550 ASSI { 414} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB )) 2.600 0.800 0.800 peak 414 weight 0.10000E+01 volume 0.32750E+07 ppm1 8.802 ppm2 1.620 ASSI { 415} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.100 0.600 0.600 peak 415 weight 0.10000E+01 volume 0.98200E+07 ppm1 8.802 ppm2 4.946 ASSI { 417} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG2%) 2.500 0.800 0.800 peak 417 weight 0.10000E+01 volume 0.33670E+07 ppm1 8.802 ppm2 0.672 ASSI { 418} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB3 )) 2.600 2.600 2.900 peak 418 weight 0.10000E+01 volume 0.27000E+07 ppm1 8.802 ppm2 2.552 OR { 418} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 419} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG13)) 3.000 1.100 1.100 peak 419 weight 0.10000E+01 volume 0.11700E+07 ppm1 8.802 ppm2 1.415 OR { 419} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG12)) ASSI { 420} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 3.300 1.400 1.400 peak 420 weight 0.10000E+01 volume 0.69300E+06 ppm1 8.802 ppm2 5.144 ASSI { 423} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HD1%) 3.500 1.500 1.500 peak 423 weight 0.10000E+01 volume 0.52150E+06 ppm1 8.806 ppm2 0.982 ASSI { 424} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 3.300 1.400 1.400 peak 424 weight 0.10000E+01 volume 0.76770E+06 ppm1 8.802 ppm2 9.173 ASSI { 426} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 1.700 1.700 3.800 peak 426 weight 0.10000E+01 volume 0.42590E+08 ppm1 7.704 ppm2 4.514 ASSI { 427} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG3 )) 2.400 0.700 0.700 peak 427 weight 0.10000E+01 volume 0.48560E+07 ppm1 7.704 ppm2 0.744 OR { 427} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) ASSI { 428} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 2.700 2.800 peak 428 weight 0.10000E+01 volume 0.22590E+07 ppm1 7.704 ppm2 1.609 ASSI { 429} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 429 weight 0.10000E+01 volume 0.14400E+07 ppm1 7.704 ppm2 8.900 ASSI { 432} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 432 weight 0.10000E+01 volume 0.11170E+07 ppm1 7.704 ppm2 5.213 ASSI { 435} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB3 )) 2.800 1.000 1.000 peak 435 weight 0.10000E+01 volume 0.17290E+07 ppm1 7.704 ppm2 1.411 ASSI { 437} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE3 )) 3.500 1.500 1.500 peak 437 weight 0.10000E+01 volume 0.48850E+06 ppm1 7.704 ppm2 2.503 OR { 437} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE2 )) ASSI { 439} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.300 0.700 0.700 peak 439 weight 0.10000E+01 volume 0.55280E+07 ppm1 7.700 ppm2 4.080 ASSI { 440} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB3 )) 2.600 0.800 0.800 peak 440 weight 0.10000E+01 volume 0.29650E+07 ppm1 7.700 ppm2 2.398 ASSI { 442} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 442 weight 0.10000E+01 volume 0.42320E+07 ppm1 7.700 ppm2 1.667 ASSI { 443} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.200 1.300 1.300 peak 443 weight 0.10000E+01 volume 0.82660E+06 ppm1 7.700 ppm2 2.457 ASSI { 444} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HD3 )) 4.100 2.100 1.400 peak 444 weight 0.10000E+01 volume 0.18790E+06 ppm1 7.700 ppm2 2.991 OR { 444} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HD2 )) ASSI { 445} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 5.500 3.800 0.000 peak 445 weight 0.10000E+01 volume -0.10600E+07 ppm1 7.700 ppm2 1.582 ASSI { 446} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG2 )) 2.600 0.800 0.800 peak 446 weight 0.10000E+01 volume 0.29510E+07 ppm1 7.624 ppm2 1.033 OR { 446} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG3 )) ASSI { 447} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 447 weight 0.10000E+01 volume 0.39630E+07 ppm1 7.624 ppm2 4.064 ASSI { 450} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 3.500 1.500 1.500 peak 450 weight 0.10000E+01 volume 0.50000E+06 ppm1 7.624 ppm2 5.591 ASSI { 455} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.300 0.700 0.700 peak 455 weight 0.10000E+01 volume 0.61400E+07 ppm1 7.704 ppm2 4.532 ASSI { 457} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 457 weight 0.10000E+01 volume 0.18920E+07 ppm1 7.704 ppm2 1.814 ASSI { 458} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 458 weight 0.10000E+01 volume 0.95160E+06 ppm1 7.704 ppm2 2.666 ASSI { 459} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG3 )) 3.100 1.200 1.200 peak 459 weight 0.10000E+01 volume 0.97820E+06 ppm1 7.704 ppm2 2.069 ASSI { 461} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB3 )) 3.100 1.200 1.200 peak 461 weight 0.10000E+01 volume 0.98190E+06 ppm1 7.704 ppm2 2.424 ASSI { 465} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 465 weight 0.10000E+01 volume 0.52050E+07 ppm1 8.246 ppm2 1.922 ASSI { 466} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.500 0.800 0.800 peak 466 weight 0.10000E+01 volume 0.35100E+07 ppm1 8.246 ppm2 3.882 ASSI { 467} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 2.500 2.500 3.000 peak 467 weight 0.10000E+01 volume 0.36470E+07 ppm1 8.246 ppm2 1.666 ASSI { 468} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 2.800 2.800 2.700 peak 468 weight 0.10000E+01 volume 0.17970E+07 ppm1 8.246 ppm2 3.756 OR { 468} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB3 )) ASSI { 469} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 3.100 1.200 1.200 peak 469 weight 0.10000E+01 volume 0.10380E+07 ppm1 8.246 ppm2 7.430 ASSI { 470} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.300 3.300 2.200 peak 470 weight 0.10000E+01 volume 0.71490E+06 ppm1 8.246 ppm2 2.967 ASSI { 473} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB3 )) 2.200 0.600 0.600 peak 473 weight 0.10000E+01 volume 0.76410E+07 ppm1 6.992 ppm2 3.755 OR { 473} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 474} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.300 0.700 0.700 peak 474 weight 0.10000E+01 volume 0.65470E+07 ppm1 6.992 ppm2 4.531 ASSI { 476} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 3.300 1.400 1.400 peak 476 weight 0.10000E+01 volume 0.68220E+06 ppm1 6.992 ppm2 0.952 ASSI { 477} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 3.100 1.200 1.200 peak 477 weight 0.10000E+01 volume 0.10910E+07 ppm1 6.992 ppm2 4.150 ASSI { 478} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 3.200 1.300 1.300 peak 478 weight 0.10000E+01 volume 0.80170E+06 ppm1 6.992 ppm2 8.253 ASSI { 479} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.600 1.600 1.600 peak 479 weight 0.10000E+01 volume 0.43470E+06 ppm1 6.992 ppm2 1.900 ASSI { 483} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB )) 2.500 0.800 0.800 peak 483 weight 0.10000E+01 volume 0.33800E+07 ppm1 6.977 ppm2 1.047 ASSI { 484} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HG2%) 2.700 0.900 0.900 peak 484 weight 0.10000E+01 volume 0.25340E+07 ppm1 6.977 ppm2 0.526 ASSI { 485} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 485 weight 0.10000E+01 volume 0.11850E+07 ppm1 6.977 ppm2 0.752 OR { 485} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 486} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 3.100 1.200 1.200 peak 486 weight 0.10000E+01 volume 0.10250E+07 ppm1 6.977 ppm2 8.792 ASSI { 487} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 487 weight 0.10000E+01 volume 0.53660E+06 ppm1 6.977 ppm2 4.050 ASSI { 488} (( segid " " and resid 12 and name HN )) (( segid " " and resid 33 and name HA )) 3.300 1.400 1.400 peak 488 weight 0.10000E+01 volume 0.70090E+06 ppm1 6.977 ppm2 4.722 ASSI { 490} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.400 0.700 0.700 peak 490 weight 0.10000E+01 volume 0.45240E+07 ppm1 6.890 ppm2 4.634 ASSI { 491} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.200 2.200 3.300 peak 491 weight 0.10000E+01 volume 0.74280E+07 ppm1 6.890 ppm2 1.847 ASSI { 492} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB3 )) 2.200 0.600 0.600 peak 492 weight 0.10000E+01 volume 0.75300E+07 ppm1 6.890 ppm2 1.582 ASSI { 493} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HD2%) 2.700 2.700 2.800 peak 493 weight 0.10000E+01 volume 0.24360E+07 ppm1 6.890 ppm2 0.796 ASSI { 494} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG2 )) 2.700 0.900 0.900 peak 494 weight 0.10000E+01 volume 0.26030E+07 ppm1 6.890 ppm2 3.490 ASSI { 495} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.600 0.800 0.800 peak 495 weight 0.10000E+01 volume 0.29520E+07 ppm1 6.890 ppm2 8.301 ASSI { 497} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG2 )) 2.500 2.500 3.000 peak 497 weight 0.10000E+01 volume 0.41110E+07 ppm1 6.890 ppm2 1.995 OR { 497} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG3 )) ASSI { 498} (( segid " " and resid 80 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.100 3.100 2.400 peak 498 weight 0.10000E+01 volume 0.10320E+07 ppm1 6.890 ppm2 1.346 ASSI { 499} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HD2 )) 3.400 1.400 1.400 peak 499 weight 0.10000E+01 volume 0.62100E+06 ppm1 6.890 ppm2 3.628 OR { 499} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HD3 )) ASSI { 501} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.300 2.300 3.200 peak 501 weight 0.10000E+01 volume 0.66580E+07 ppm1 6.866 ppm2 1.786 ASSI { 503} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG )) 2.300 2.300 3.200 peak 503 weight 0.10000E+01 volume 0.61410E+07 ppm1 6.866 ppm2 1.507 ASSI { 504} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB3 )) 2.600 0.800 0.800 peak 504 weight 0.10000E+01 volume 0.29020E+07 ppm1 6.866 ppm2 1.351 ASSI { 505} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HD2%) 2.600 2.600 2.900 peak 505 weight 0.10000E+01 volume 0.30280E+07 ppm1 6.866 ppm2 0.796 ASSI { 507} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.500 0.800 0.800 peak 507 weight 0.10000E+01 volume 0.41820E+07 ppm1 6.866 ppm2 4.648 ASSI { 508} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HD1%) 2.900 1.100 1.100 peak 508 weight 0.10000E+01 volume 0.15840E+07 ppm1 6.866 ppm2 0.906 ASSI { 509} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA2 )) 2.900 1.100 1.100 peak 509 weight 0.10000E+01 volume 0.15900E+07 ppm1 6.866 ppm2 3.509 ASSI { 510} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA1 )) 3.100 1.200 1.200 peak 510 weight 0.10000E+01 volume 0.11380E+07 ppm1 6.866 ppm2 3.972 ASSI { 519} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.200 0.600 0.600 peak 519 weight 0.10000E+01 volume 0.78470E+07 ppm1 7.626 ppm2 1.768 ASSI { 520} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.600 0.800 0.800 peak 520 weight 0.10000E+01 volume 0.29240E+07 ppm1 7.626 ppm2 3.922 ASSI { 521} (( segid " " and resid 105 and name HN )) ( segid " " and resid 74 and name HD1%) 2.800 2.800 2.700 peak 521 weight 0.10000E+01 volume 0.17830E+07 ppm1 7.626 ppm2 0.731 ASSI { 522} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 3.000 1.100 1.100 peak 522 weight 0.10000E+01 volume 0.13130E+07 ppm1 7.626 ppm2 8.136 ASSI { 523} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.700 0.900 0.900 peak 523 weight 0.10000E+01 volume 0.22280E+07 ppm1 7.626 ppm2 8.066 ASSI { 524} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 524 weight 0.10000E+01 volume 0.95770E+06 ppm1 7.626 ppm2 3.732 ASSI { 525} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB3 )) 3.200 1.300 1.300 peak 525 weight 0.10000E+01 volume 0.80910E+06 ppm1 7.626 ppm2 1.359 ASSI { 527} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG2 )) 3.400 1.400 1.400 peak 527 weight 0.10000E+01 volume 0.56040E+06 ppm1 7.626 ppm2 1.637 OR { 527} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG3 )) ASSI { 528} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HD2 )) 3.900 1.900 1.600 peak 528 weight 0.10000E+01 volume 0.25980E+06 ppm1 7.626 ppm2 3.022 OR { 528} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HD3 )) ASSI { 529} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HB2 )) 4.400 2.400 1.100 peak 529 weight 0.10000E+01 volume 0.12570E+06 ppm1 7.626 ppm2 2.066 OR { 529} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HB3 )) ASSI { 530} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.500 0.800 0.800 peak 530 weight 0.10000E+01 volume 0.39380E+07 ppm1 7.599 ppm2 3.966 ASSI { 532} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HB% ) 2.400 0.700 0.700 peak 532 weight 0.10000E+01 volume 0.45300E+07 ppm1 7.599 ppm2 1.305 ASSI { 533} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.800 2.800 2.700 peak 533 weight 0.10000E+01 volume 0.17300E+07 ppm1 7.599 ppm2 2.945 OR { 533} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) ASSI { 534} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HD% ) 3.400 1.400 1.400 peak 534 weight 0.10000E+01 volume 0.64690E+06 ppm1 7.599 ppm2 6.951 ASSI { 535} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.100 1.100 peak 535 weight 0.10000E+01 volume 0.16270E+07 ppm1 7.599 ppm2 4.212 ASSI { 536} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HN )) 4.200 2.200 1.300 peak 536 weight 0.10000E+01 volume 0.15850E+06 ppm1 7.599 ppm2 7.829 ASSI { 537} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 537 weight 0.10000E+01 volume 0.20210E+07 ppm1 8.801 ppm2 1.909 ASSI { 538} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 538 weight 0.10000E+01 volume 0.41700E+07 ppm1 8.801 ppm2 4.368 ASSI { 540} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HG1%) 2.700 2.700 2.800 peak 540 weight 0.10000E+01 volume 0.25980E+07 ppm1 8.801 ppm2 0.848 ASSI { 541} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG )) 2.900 1.100 1.100 peak 541 weight 0.10000E+01 volume 0.15540E+07 ppm1 8.801 ppm2 1.394 ASSI { 542} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 2.700 0.900 0.900 peak 542 weight 0.10000E+01 volume 0.21310E+07 ppm1 8.801 ppm2 0.557 ASSI { 543} (( segid " " and resid 76 and name HN )) (( segid " " and resid 87 and name HA )) 3.300 1.400 1.400 peak 543 weight 0.10000E+01 volume 0.73830E+06 ppm1 8.801 ppm2 5.257 ASSI { 544} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.500 1.500 1.500 peak 544 weight 0.10000E+01 volume 0.46670E+06 ppm1 8.801 ppm2 1.289 ASSI { 546} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.300 1.400 1.400 peak 546 weight 0.10000E+01 volume 0.77080E+06 ppm1 8.801 ppm2 4.958 ASSI { 547} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD2%) 4.400 2.400 1.100 peak 547 weight 0.10000E+01 volume 0.12720E+06 ppm1 8.801 ppm2 0.390 ASSI { 552} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.900 1.100 1.100 peak 552 weight 0.10000E+01 volume 0.15750E+07 ppm1 8.804 ppm2 5.564 ASSI { 553} (( segid " " and resid 57 and name HN )) (( segid " " and resid 37 and name HB )) 3.100 1.200 1.200 peak 553 weight 0.10000E+01 volume 0.96990E+06 ppm1 8.804 ppm2 0.942 ASSI { 554} (( segid " " and resid 57 and name HN )) (( segid " " and resid 36 and name HD2 )) 3.200 3.200 2.300 peak 554 weight 0.10000E+01 volume 0.81340E+06 ppm1 8.804 ppm2 0.531 ASSI { 555} (( segid " " and resid 57 and name HN )) (( segid " " and resid 38 and name HA )) 3.500 1.500 1.500 peak 555 weight 0.10000E+01 volume 0.48220E+06 ppm1 8.804 ppm2 5.042 ASSI { 556} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 3.500 1.500 1.500 peak 556 weight 0.10000E+01 volume 0.50010E+06 ppm1 8.804 ppm2 4.659 ASSI { 557} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HD1%) 3.700 1.700 1.700 peak 557 weight 0.10000E+01 volume 0.33470E+06 ppm1 8.804 ppm2 -0.190 ASSI { 558} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.800 1.800 1.700 peak 558 weight 0.10000E+01 volume 0.28490E+06 ppm1 8.804 ppm2 3.657 ASSI { 560} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.900 1.900 1.600 peak 560 weight 0.10000E+01 volume 0.26560E+06 ppm1 8.804 ppm2 3.563 ASSI { 561} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HG2%) 3.900 1.900 1.600 peak 561 weight 0.10000E+01 volume 0.25710E+06 ppm1 8.804 ppm2 0.667 ASSI { 563} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 4.500 2.500 1.000 peak 563 weight 0.10000E+01 volume 0.11460E+06 ppm1 8.804 ppm2 8.450 ASSI { 564} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.900 1.100 1.100 peak 564 weight 0.10000E+01 volume 0.16380E+07 ppm1 8.788 ppm2 3.286 ASSI { 567} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HG2%) 2.800 2.800 2.700 peak 567 weight 0.10000E+01 volume 0.20220E+07 ppm1 8.788 ppm2 0.515 ASSI { 568} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG12)) 3.200 1.300 1.300 peak 568 weight 0.10000E+01 volume 0.88850E+06 ppm1 8.788 ppm2 1.259 ASSI { 569} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB )) 2.900 1.100 1.100 peak 569 weight 0.10000E+01 volume 0.14360E+07 ppm1 8.788 ppm2 1.069 ASSI { 570} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 570 weight 0.10000E+01 volume 0.90200E+06 ppm1 8.788 ppm2 3.535 ASSI { 571} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG13)) 3.000 1.100 1.100 peak 571 weight 0.10000E+01 volume 0.13740E+07 ppm1 8.788 ppm2 0.765 ASSI { 581} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.400 0.700 0.700 peak 581 weight 0.10000E+01 volume 0.44720E+07 ppm1 8.721 ppm2 4.213 ASSI { 582} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) 2.600 2.600 2.900 peak 582 weight 0.10000E+01 volume 0.28480E+07 ppm1 8.721 ppm2 1.798 ASSI { 583} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HG1%) 2.700 0.900 0.900 peak 583 weight 0.10000E+01 volume 0.23130E+07 ppm1 8.721 ppm2 0.659 ASSI { 585} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB3 )) 3.000 3.000 2.500 peak 585 weight 0.10000E+01 volume 0.13200E+07 ppm1 8.721 ppm2 1.309 ASSI { 586} (( segid " " and resid 18 and name HN )) (( segid " " and resid 28 and name HN )) 3.500 1.500 1.500 peak 586 weight 0.10000E+01 volume 0.47130E+06 ppm1 8.721 ppm2 9.047 ASSI { 587} (( segid " " and resid 18 and name HN )) (( segid " " and resid 27 and name HA )) 3.400 1.400 1.400 peak 587 weight 0.10000E+01 volume 0.59870E+06 ppm1 8.721 ppm2 4.599 ASSI { 588} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.400 1.400 1.400 peak 588 weight 0.10000E+01 volume 0.61760E+06 ppm1 8.721 ppm2 1.591 ASSI { 589} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.900 1.900 1.600 peak 589 weight 0.10000E+01 volume 0.24790E+06 ppm1 8.721 ppm2 4.836 ASSI { 590} (( segid " " and resid 18 and name HN )) (( segid " " and resid 25 and name HB3 )) 3.800 1.800 1.700 peak 590 weight 0.10000E+01 volume 0.29210E+06 ppm1 8.721 ppm2 -0.431 ASSI { 591} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 4.200 2.200 1.300 peak 591 weight 0.10000E+01 volume 0.16080E+06 ppm1 8.721 ppm2 9.707 ASSI { 592} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.200 2.200 3.300 peak 592 weight 0.10000E+01 volume 0.89500E+07 ppm1 8.706 ppm2 4.528 ASSI { 594} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.800 1.000 1.000 peak 594 weight 0.10000E+01 volume 0.18220E+07 ppm1 8.706 ppm2 2.561 ASSI { 595} (( segid " " and resid 16 and name HN )) (( segid " " and resid 28 and name HN )) 2.800 1.000 1.000 peak 595 weight 0.10000E+01 volume 0.19700E+07 ppm1 8.706 ppm2 9.074 ASSI { 596} (( segid " " and resid 55 and name HN )) ( segid " " and resid 51 and name HD% ) 3.000 3.000 2.500 peak 596 weight 0.10000E+01 volume 0.13780E+07 ppm1 8.706 ppm2 6.831 ASSI { 599} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB3 )) 3.800 1.800 1.700 peak 599 weight 0.10000E+01 volume 0.32720E+06 ppm1 8.706 ppm2 2.039 ASSI { 600} (( segid " " and resid 55 and name HN )) ( segid " " and resid 40 and name HG2%) 2.700 2.700 2.800 peak 600 weight 0.10000E+01 volume 0.24040E+07 ppm1 8.716 ppm2 1.005 ASSI { 601} (( segid " " and resid 16 and name HN )) ( segid " " and resid 27 and name HD2%) 3.400 1.400 1.400 peak 601 weight 0.10000E+01 volume 0.59510E+06 ppm1 8.718 ppm2 0.663 ASSI { 603} (( segid " " and resid 16 and name HN )) ( segid " " and resid 30 and name HG1%) 3.300 1.400 1.400 peak 603 weight 0.10000E+01 volume 0.67460E+06 ppm1 8.712 ppm2 0.481 ASSI { 607} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 2.500 0.800 0.800 peak 607 weight 0.10000E+01 volume 0.34870E+07 ppm1 6.812 ppm2 0.852 ASSI { 608} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 2.900 1.100 1.100 peak 608 weight 0.10000E+01 volume 0.15920E+07 ppm1 6.812 ppm2 8.553 ASSI { 609} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB3 )) 3.000 1.100 1.100 peak 609 weight 0.10000E+01 volume 0.13680E+07 ppm1 6.812 ppm2 3.746 OR { 609} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 610} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 610 weight 0.10000E+01 volume 0.19400E+07 ppm1 6.812 ppm2 4.069 ASSI { 611} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 611 weight 0.10000E+01 volume 0.45170E+07 ppm1 6.812 ppm2 4.240 ASSI { 612} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HB% ) 3.800 1.800 1.700 peak 612 weight 0.10000E+01 volume 0.29670E+06 ppm1 6.812 ppm2 1.185 ASSI { 613} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.300 0.700 0.700 peak 613 weight 0.10000E+01 volume 0.57680E+07 ppm1 8.172 ppm2 4.101 ASSI { 614} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB )) 2.400 0.700 0.700 peak 614 weight 0.10000E+01 volume 0.50860E+07 ppm1 8.172 ppm2 1.470 ASSI { 616} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HG2%) 2.600 0.800 0.800 peak 616 weight 0.10000E+01 volume 0.29620E+07 ppm1 8.172 ppm2 0.558 ASSI { 618} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.400 1.400 1.400 peak 618 weight 0.10000E+01 volume 0.57900E+06 ppm1 8.172 ppm2 1.634 OR { 618} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB3 )) ASSI { 619} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 619 weight 0.10000E+01 volume 0.92090E+06 ppm1 8.172 ppm2 3.267 ASSI { 633} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 3.200 1.300 1.300 peak 633 weight 0.10000E+01 volume 0.89580E+06 ppm1 8.057 ppm2 4.253 ASSI { 634} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 3.200 1.300 1.300 peak 634 weight 0.10000E+01 volume 0.86710E+06 ppm1 8.057 ppm2 3.994 ASSI { 638} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 638 weight 0.10000E+01 volume 0.52060E+07 ppm1 8.137 ppm2 1.762 ASSI { 640} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.800 1.000 1.000 peak 640 weight 0.10000E+01 volume 0.19740E+07 ppm1 8.137 ppm2 3.879 ASSI { 641} (( segid " " and resid 104 and name HN )) ( segid " " and resid 104 and name HD1%) 2.500 0.800 0.800 peak 641 weight 0.10000E+01 volume 0.39040E+07 ppm1 8.137 ppm2 0.722 ASSI { 643} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.800 1.000 1.000 peak 643 weight 0.10000E+01 volume 0.17600E+07 ppm1 8.137 ppm2 1.345 ASSI { 644} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 644 weight 0.10000E+01 volume 0.10210E+07 ppm1 8.137 ppm2 3.080 ASSI { 645} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.300 1.400 1.400 peak 645 weight 0.10000E+01 volume 0.73220E+06 ppm1 8.137 ppm2 2.752 ASSI { 647} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HA )) 4.200 2.200 1.300 peak 647 weight 0.10000E+01 volume 0.15930E+06 ppm1 8.137 ppm2 3.720 ASSI { 648} (( segid " " and resid 104 and name HN )) ( segid " " and resid 102 and name HB% ) 4.300 2.300 1.200 peak 648 weight 0.10000E+01 volume 0.14390E+06 ppm1 8.137 ppm2 1.061 ASSI { 649} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.500 2.500 3.000 peak 649 weight 0.10000E+01 volume 0.38600E+07 ppm1 8.140 ppm2 1.927 ASSI { 650} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HE2 )) 3.200 3.200 2.300 peak 650 weight 0.10000E+01 volume 0.83710E+06 ppm1 8.140 ppm2 2.801 ASSI { 652} (( segid " " and resid 101 and name HN )) ( segid " " and resid 102 and name HB% ) 5.500 3.800 0.000 peak 652 weight 0.10000E+01 volume -0.28460E+06 ppm1 8.140 ppm2 1.061 ASSI { 653} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.500 0.800 0.800 peak 653 weight 0.10000E+01 volume 0.36470E+07 ppm1 8.136 ppm2 3.750 ASSI { 655} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HB% ) 2.400 0.700 0.700 peak 655 weight 0.10000E+01 volume 0.53210E+07 ppm1 8.136 ppm2 1.060 ASSI { 656} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 2.600 0.800 0.800 peak 656 weight 0.10000E+01 volume 0.27060E+07 ppm1 8.136 ppm2 8.543 ASSI { 657} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.600 0.800 0.800 peak 657 weight 0.10000E+01 volume 0.27450E+07 ppm1 8.136 ppm2 1.719 ASSI { 658} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.800 1.000 1.000 peak 658 weight 0.10000E+01 volume 0.17550E+07 ppm1 8.136 ppm2 1.588 ASSI { 659} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HA )) 3.300 1.400 1.400 peak 659 weight 0.10000E+01 volume 0.76980E+06 ppm1 8.136 ppm2 3.489 ASSI { 660} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HB3 )) 3.300 1.400 1.400 peak 660 weight 0.10000E+01 volume 0.74070E+06 ppm1 8.136 ppm2 2.719 ASSI { 661} (( segid " " and resid 102 and name HN )) ( segid " " and resid 104 and name HD1%) 4.200 2.200 1.300 peak 661 weight 0.10000E+01 volume 0.17900E+06 ppm1 8.136 ppm2 0.685 OR { 661} (( segid " " and resid 102 and name HN )) ( segid " " and resid 104 and name HD2%) ASSI { 664} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HA )) 4.600 2.600 0.900 peak 664 weight 0.10000E+01 volume 0.94820E+05 ppm1 8.137 ppm2 3.926 ASSI { 666} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.100 0.600 0.600 peak 666 weight 0.10000E+01 volume 0.94670E+07 ppm1 8.115 ppm2 2.154 OR { 666} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) ASSI { 667} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB3 )) 2.600 2.600 2.900 peak 667 weight 0.10000E+01 volume 0.30380E+07 ppm1 8.115 ppm2 2.295 ASSI { 668} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 668 weight 0.10000E+01 volume 0.13230E+07 ppm1 8.115 ppm2 4.743 ASSI { 669} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HA1 )) 2.800 1.000 1.000 peak 669 weight 0.10000E+01 volume 0.19130E+07 ppm1 8.115 ppm2 3.694 ASSI { 670} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) 3.000 1.100 1.100 peak 670 weight 0.10000E+01 volume 0.12390E+07 ppm1 8.115 ppm2 1.998 ASSI { 671} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 3.400 1.400 1.400 peak 671 weight 0.10000E+01 volume 0.64270E+06 ppm1 8.115 ppm2 8.851 ASSI { 672} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HA2 )) 3.100 1.200 1.200 peak 672 weight 0.10000E+01 volume 0.10680E+07 ppm1 8.115 ppm2 3.510 ASSI { 673} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.400 1.400 1.400 peak 673 weight 0.10000E+01 volume 0.58390E+06 ppm1 8.115 ppm2 2.726 ASSI { 674} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.500 0.800 0.800 peak 674 weight 0.10000E+01 volume 0.34030E+07 ppm1 8.115 ppm2 4.287 ASSI { 675} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HN )) 4.000 2.000 1.500 peak 675 weight 0.10000E+01 volume 0.23090E+06 ppm1 8.115 ppm2 8.532 ASSI { 677} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB3 )) 2.200 0.600 0.600 peak 677 weight 0.10000E+01 volume 0.73200E+07 ppm1 8.048 ppm2 1.777 OR { 677} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) ASSI { 680} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) 2.400 0.700 0.700 peak 680 weight 0.10000E+01 volume 0.50960E+07 ppm1 8.048 ppm2 2.066 ASSI { 681} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.700 0.900 0.900 peak 681 weight 0.10000E+01 volume 0.25610E+07 ppm1 8.048 ppm2 8.592 ASSI { 682} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.800 1.000 1.000 peak 682 weight 0.10000E+01 volume 0.20190E+07 ppm1 8.048 ppm2 4.271 ASSI { 683} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB3 )) 3.100 3.100 2.400 peak 683 weight 0.10000E+01 volume 0.10570E+07 ppm1 8.048 ppm2 1.364 ASSI { 685} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 685 weight 0.10000E+01 volume 0.77800E+06 ppm1 8.048 ppm2 3.917 ASSI { 686} (( segid " " and resid 106 and name HN )) (( segid " " and resid 102 and name HA )) 3.500 1.500 1.500 peak 686 weight 0.10000E+01 volume 0.49820E+06 ppm1 8.048 ppm2 3.752 ASSI { 687} (( segid " " and resid 106 and name HN )) ( segid " " and resid 107 and name HG2%) 3.100 3.100 2.400 peak 687 weight 0.10000E+01 volume 0.10900E+07 ppm1 8.048 ppm2 0.733 ASSI { 688} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HA )) 4.000 2.000 1.500 peak 688 weight 0.10000E+01 volume 0.20920E+06 ppm1 8.048 ppm2 3.477 ASSI { 690} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 690 weight 0.10000E+01 volume 0.20960E+07 ppm1 9.662 ppm2 4.834 ASSI { 691} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) 2.700 0.900 0.900 peak 691 weight 0.10000E+01 volume 0.25750E+07 ppm1 9.662 ppm2 0.602 ASSI { 692} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD1 )) 2.800 2.800 2.700 peak 692 weight 0.10000E+01 volume 0.18610E+07 ppm1 9.662 ppm2 7.546 ASSI { 693} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.900 1.100 1.100 peak 693 weight 0.10000E+01 volume 0.14590E+07 ppm1 9.662 ppm2 3.134 OR { 693} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB3 )) ASSI { 695} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG1%) 3.400 1.400 1.400 peak 695 weight 0.10000E+01 volume 0.59020E+06 ppm1 9.662 ppm2 0.728 ASSI { 697} (( segid " " and resid 19 and name HN )) (( segid " " and resid 89 and name HG2 )) 3.700 1.700 1.700 peak 697 weight 0.10000E+01 volume 0.37940E+06 ppm1 9.662 ppm2 1.611 OR { 697} (( segid " " and resid 19 and name HN )) (( segid " " and resid 89 and name HG3 )) ASSI { 700} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.000 1.100 1.100 peak 700 weight 0.10000E+01 volume 0.13500E+07 ppm1 9.397 ppm2 5.036 ASSI { 701} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.000 1.100 1.100 peak 701 weight 0.10000E+01 volume 0.11400E+07 ppm1 9.397 ppm2 3.184 ASSI { 702} (( segid " " and resid 39 and name HN )) (( segid " " and resid 56 and name HA )) 3.200 1.300 1.300 peak 702 weight 0.10000E+01 volume 0.80920E+06 ppm1 9.397 ppm2 5.555 ASSI { 703} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.100 1.200 1.200 peak 703 weight 0.10000E+01 volume 0.11110E+07 ppm1 9.397 ppm2 2.606 ASSI { 704} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.100 1.200 1.200 peak 704 weight 0.10000E+01 volume 0.94910E+06 ppm1 9.397 ppm2 2.196 ASSI { 705} (( segid " " and resid 39 and name HN )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 705 weight 0.10000E+01 volume 0.52710E+06 ppm1 9.397 ppm2 8.793 ASSI { 706} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD% ) 3.600 1.600 1.600 peak 706 weight 0.10000E+01 volume 0.39870E+06 ppm1 9.397 ppm2 6.686 ASSI { 707} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 707 weight 0.10000E+01 volume 0.34400E+07 ppm1 9.276 ppm2 5.252 ASSI { 709} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG13)) 2.500 0.800 0.800 peak 709 weight 0.10000E+01 volume 0.40460E+07 ppm1 9.276 ppm2 0.708 OR { 709} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG12)) ASSI { 710} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB3 )) 2.800 1.000 1.000 peak 710 weight 0.10000E+01 volume 0.20240E+07 ppm1 9.276 ppm2 1.383 ASSI { 711} (( segid " " and resid 88 and name HN )) ( segid " " and resid 88 and name HG2%) 2.800 1.000 1.000 peak 711 weight 0.10000E+01 volume 0.20570E+07 ppm1 9.276 ppm2 0.575 ASSI { 712} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 3.000 1.100 1.100 peak 712 weight 0.10000E+01 volume 0.11420E+07 ppm1 9.276 ppm2 5.927 ASSI { 713} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 713 weight 0.10000E+01 volume 0.98160E+06 ppm1 9.276 ppm2 1.598 ASSI { 714} (( segid " " and resid 88 and name HN )) ( segid " " and resid 88 and name HD1%) 3.300 1.400 1.400 peak 714 weight 0.10000E+01 volume 0.76970E+06 ppm1 9.276 ppm2 -0.811 ASSI { 716} (( segid " " and resid 88 and name HN )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 716 weight 0.10000E+01 volume 0.10460E+07 ppm1 9.276 ppm2 9.056 ASSI { 718} (( segid " " and resid 88 and name HN )) (( segid " " and resid 75 and name HA )) 4.200 2.200 1.300 peak 718 weight 0.10000E+01 volume 0.15660E+06 ppm1 9.276 ppm2 4.284 ASSI { 726} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 2.500 0.800 0.800 peak 726 weight 0.10000E+01 volume 0.36860E+07 ppm1 9.196 ppm2 5.919 ASSI { 727} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) 2.700 0.900 0.900 peak 727 weight 0.10000E+01 volume 0.24970E+07 ppm1 9.196 ppm2 1.859 ASSI { 728} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB )) 2.600 0.800 0.800 peak 728 weight 0.10000E+01 volume 0.29320E+07 ppm1 9.196 ppm2 1.324 ASSI { 729} (( segid " " and resid 89 and name HN )) ( segid " " and resid 88 and name HG2%) 2.700 2.700 2.800 peak 729 weight 0.10000E+01 volume 0.24760E+07 ppm1 9.196 ppm2 0.625 ASSI { 730} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG3 )) 2.900 1.100 1.100 peak 730 weight 0.10000E+01 volume 0.14990E+07 ppm1 9.196 ppm2 1.603 OR { 730} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG2 )) ASSI { 731} (( segid " " and resid 89 and name HN )) (( segid " " and resid 19 and name HZ3 )) 3.000 3.000 2.500 peak 731 weight 0.10000E+01 volume 0.13420E+07 ppm1 9.196 ppm2 6.661 ASSI { 732} (( segid " " and resid 89 and name HN )) ( segid " " and resid 16 and name HD% ) 3.400 1.400 1.400 peak 732 weight 0.10000E+01 volume 0.58480E+06 ppm1 9.196 ppm2 6.311 ASSI { 733} (( segid " " and resid 89 and name HN )) (( segid " " and resid 19 and name HE3 )) 3.700 1.700 1.700 peak 733 weight 0.10000E+01 volume 0.38250E+06 ppm1 9.196 ppm2 7.511 ASSI { 734} (( segid " " and resid 89 and name HN )) (( segid " " and resid 18 and name HN )) 3.400 3.400 2.100 peak 734 weight 0.10000E+01 volume 0.55130E+06 ppm1 9.196 ppm2 8.741 ASSI { 735} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 3.500 1.500 1.500 peak 735 weight 0.10000E+01 volume 0.47890E+06 ppm1 9.196 ppm2 5.373 ASSI { 736} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HE2 )) 3.600 1.600 1.600 peak 736 weight 0.10000E+01 volume 0.44620E+06 ppm1 9.196 ppm2 2.562 OR { 736} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HE3 )) ASSI { 738} (( segid " " and resid 89 and name HN )) (( segid " " and resid 17 and name HN )) 3.300 3.300 2.200 peak 738 weight 0.10000E+01 volume 0.70650E+06 ppm1 9.196 ppm2 9.121 ASSI { 746} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB )) 2.600 2.600 2.900 peak 746 weight 0.10000E+01 volume 0.26510E+07 ppm1 9.163 ppm2 1.896 ASSI { 748} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 748 weight 0.10000E+01 volume 0.47190E+07 ppm1 9.163 ppm2 4.184 ASSI { 749} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.100 1.100 peak 749 weight 0.10000E+01 volume 0.14350E+07 ppm1 9.163 ppm2 4.379 ASSI { 750} (( segid " " and resid 75 and name HN )) (( segid " " and resid 65 and name HN )) 2.900 1.100 1.100 peak 750 weight 0.10000E+01 volume 0.15900E+07 ppm1 9.163 ppm2 8.552 ASSI { 751} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HG1%) 2.500 0.800 0.800 peak 751 weight 0.10000E+01 volume 0.40330E+07 ppm1 9.163 ppm2 0.841 ASSI { 752} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HG2%) 2.600 0.800 0.800 peak 752 weight 0.10000E+01 volume 0.28920E+07 ppm1 9.163 ppm2 0.539 ASSI { 753} (( segid " " and resid 75 and name HN )) (( segid " " and resid 64 and name HG13)) 3.100 1.200 1.200 peak 753 weight 0.10000E+01 volume 0.10700E+07 ppm1 9.163 ppm2 1.388 ASSI { 756} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HG2%) 3.300 1.400 1.400 peak 756 weight 0.10000E+01 volume 0.69340E+06 ppm1 9.163 ppm2 0.676 ASSI { 757} (( segid " " and resid 75 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.600 3.600 1.900 peak 757 weight 0.10000E+01 volume 0.41570E+06 ppm1 9.163 ppm2 1.606 ASSI { 760} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB3 )) 2.800 1.000 1.000 peak 760 weight 0.10000E+01 volume 0.19520E+07 ppm1 8.734 ppm2 2.246 ASSI { 761} (( segid " " and resid 43 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.900 2.900 2.600 peak 761 weight 0.10000E+01 volume 0.16570E+07 ppm1 8.734 ppm2 1.495 ASSI { 762} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 762 weight 0.10000E+01 volume 0.33880E+07 ppm1 8.734 ppm2 4.537 ASSI { 763} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB3 )) 3.000 1.100 1.100 peak 763 weight 0.10000E+01 volume 0.11600E+07 ppm1 8.734 ppm2 1.878 OR { 763} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 764} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 764 weight 0.10000E+01 volume 0.13550E+07 ppm1 8.734 ppm2 2.657 ASSI { 767} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 5.500 3.800 0.000 peak 767 weight 0.10000E+01 volume -0.36700E+06 ppm1 8.734 ppm2 8.457 ASSI { 768} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.300 0.700 0.700 peak 768 weight 0.10000E+01 volume 0.60890E+07 ppm1 8.622 ppm2 1.877 ASSI { 769} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 769 weight 0.10000E+01 volume 0.73350E+07 ppm1 8.622 ppm2 4.606 ASSI { 770} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB3 )) 2.800 1.000 1.000 peak 770 weight 0.10000E+01 volume 0.18200E+07 ppm1 8.622 ppm2 1.574 ASSI { 772} (( segid " " and resid 66 and name HN )) ( segid " " and resid 74 and name HD1%) 2.900 2.900 2.600 peak 772 weight 0.10000E+01 volume 0.16080E+07 ppm1 8.622 ppm2 0.704 ASSI { 774} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.400 3.400 2.100 peak 774 weight 0.10000E+01 volume 0.57010E+06 ppm1 8.622 ppm2 1.363 ASSI { 777} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 4.400 2.400 1.100 peak 777 weight 0.10000E+01 volume 0.13240E+06 ppm1 8.622 ppm2 4.350 ASSI { 778} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HD2 )) 4.000 2.000 1.500 peak 778 weight 0.10000E+01 volume 0.21060E+06 ppm1 8.622 ppm2 3.020 OR { 778} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HD3 )) ASSI { 779} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HG2%) 2.300 2.300 3.200 peak 779 weight 0.10000E+01 volume 0.61500E+07 ppm1 8.588 ppm2 0.742 ASSI { 780} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB )) 2.500 0.800 0.800 peak 780 weight 0.10000E+01 volume 0.41030E+07 ppm1 8.588 ppm2 1.720 ASSI { 784} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB2 )) 2.700 0.900 0.900 peak 784 weight 0.10000E+01 volume 0.24210E+07 ppm1 8.588 ppm2 2.040 ASSI { 785} (( segid " " and resid 107 and name HN )) ( segid " " and resid 108 and name HB% ) 3.200 1.300 1.300 peak 785 weight 0.10000E+01 volume 0.83350E+06 ppm1 8.588 ppm2 1.422 ASSI { 786} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.900 1.100 1.100 peak 786 weight 0.10000E+01 volume 0.14180E+07 ppm1 8.588 ppm2 3.344 ASSI { 787} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.500 1.500 1.500 peak 787 weight 0.10000E+01 volume 0.49950E+06 ppm1 8.588 ppm2 4.247 ASSI { 788} (( segid " " and resid 107 and name HN )) (( segid " " and resid 104 and name HA )) 3.500 1.500 1.500 peak 788 weight 0.10000E+01 volume 0.50590E+06 ppm1 8.588 ppm2 3.912 ASSI { 791} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.300 0.700 0.700 peak 791 weight 0.10000E+01 volume 0.56320E+07 ppm1 8.578 ppm2 1.935 ASSI { 792} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 792 weight 0.10000E+01 volume 0.19200E+07 ppm1 8.578 ppm2 3.758 ASSI { 794} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.700 0.900 0.900 peak 794 weight 0.10000E+01 volume 0.21930E+07 ppm1 8.578 ppm2 1.770 ASSI { 795} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG2 )) 2.800 2.800 2.700 peak 795 weight 0.10000E+01 volume 0.19950E+07 ppm1 8.578 ppm2 1.489 OR { 795} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG3 )) ASSI { 796} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 796 weight 0.10000E+01 volume 0.11360E+07 ppm1 8.578 ppm2 3.474 ASSI { 797} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) 3.200 1.300 1.300 peak 797 weight 0.10000E+01 volume 0.88600E+06 ppm1 8.578 ppm2 3.846 ASSI { 798} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HG1%) 3.400 1.400 1.400 peak 798 weight 0.10000E+01 volume 0.60140E+06 ppm1 8.578 ppm2 0.951 ASSI { 800} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HG2%) 3.700 1.700 1.700 peak 800 weight 0.10000E+01 volume 0.37180E+06 ppm1 8.578 ppm2 0.539 ASSI { 801} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HD3 )) 3.600 1.600 1.600 peak 801 weight 0.10000E+01 volume 0.39920E+06 ppm1 8.578 ppm2 2.423 OR { 801} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HD2 )) ASSI { 803} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB2 )) 4.000 2.000 1.500 peak 803 weight 0.10000E+01 volume 0.23350E+06 ppm1 8.578 ppm2 2.993 OR { 803} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB3 )) ASSI { 805} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB3 )) 2.700 0.900 0.900 peak 805 weight 0.10000E+01 volume 0.23050E+07 ppm1 8.595 ppm2 2.031 ASSI { 806} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 806 weight 0.10000E+01 volume 0.99270E+06 ppm1 8.595 ppm2 2.195 ASSI { 808} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 3.500 1.500 1.500 peak 808 weight 0.10000E+01 volume 0.49680E+06 ppm1 8.595 ppm2 8.233 ASSI { 809} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG2%) 3.400 1.400 1.400 peak 809 weight 0.10000E+01 volume 0.61630E+06 ppm1 8.595 ppm2 0.959 ASSI { 810} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB )) 3.400 1.400 1.400 peak 810 weight 0.10000E+01 volume 0.63400E+06 ppm1 8.595 ppm2 4.118 ASSI { 811} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 3.400 1.400 1.400 peak 811 weight 0.10000E+01 volume 0.55130E+06 ppm1 8.595 ppm2 4.352 ASSI { 813} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.500 0.800 0.800 peak 813 weight 0.10000E+01 volume 0.37420E+07 ppm1 8.527 ppm2 4.358 ASSI { 814} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 814 weight 0.10000E+01 volume 0.18190E+07 ppm1 8.527 ppm2 1.686 ASSI { 815} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB3 )) 3.000 1.100 1.100 peak 815 weight 0.10000E+01 volume 0.13010E+07 ppm1 8.527 ppm2 1.461 ASSI { 816} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.300 1.400 1.400 peak 816 weight 0.10000E+01 volume 0.69000E+06 ppm1 8.527 ppm2 2.155 OR { 816} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG3 )) ASSI { 817} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB3 )) 3.400 1.400 1.400 peak 817 weight 0.10000E+01 volume 0.64020E+06 ppm1 8.527 ppm2 3.160 OR { 817} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 818} (( segid " " and resid 20 and name HN )) (( segid " " and resid 25 and name HA )) 3.900 1.900 1.600 peak 818 weight 0.10000E+01 volume 0.26330E+06 ppm1 8.527 ppm2 3.923 ASSI { 819} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 4.300 2.300 1.200 peak 819 weight 0.10000E+01 volume 0.14440E+06 ppm1 8.527 ppm2 9.670 ASSI { 822} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.400 0.700 0.700 peak 822 weight 0.10000E+01 volume 0.48190E+07 ppm1 8.553 ppm2 7.205 ASSI { 824} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HB2 )) 2.600 0.800 0.800 peak 824 weight 0.10000E+01 volume 0.30530E+07 ppm1 8.553 ppm2 1.596 ASSI { 825} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 2.800 1.000 1.000 peak 825 weight 0.10000E+01 volume 0.20920E+07 ppm1 8.553 ppm2 2.686 ASSI { 826} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.800 1.000 1.000 peak 826 weight 0.10000E+01 volume 0.19730E+07 ppm1 8.553 ppm2 2.269 ASSI { 827} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.900 1.100 1.100 peak 827 weight 0.10000E+01 volume 0.16840E+07 ppm1 8.553 ppm2 1.331 ASSI { 828} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 828 weight 0.10000E+01 volume 0.25480E+07 ppm1 8.553 ppm2 4.347 ASSI { 829} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 3.200 1.300 1.300 peak 829 weight 0.10000E+01 volume 0.79940E+06 ppm1 8.553 ppm2 3.788 ASSI { 830} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HG2 )) 2.800 1.000 1.000 peak 830 weight 0.10000E+01 volume 0.19610E+07 ppm1 8.553 ppm2 2.100 ASSI { 832} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HG )) 3.900 1.900 1.600 peak 832 weight 0.10000E+01 volume 0.27060E+06 ppm1 8.553 ppm2 0.720 ASSI { 834} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HB% ) 2.300 0.700 0.700 peak 834 weight 0.10000E+01 volume 0.65820E+07 ppm1 8.546 ppm2 0.996 ASSI { 835} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.200 2.200 3.300 peak 835 weight 0.10000E+01 volume 0.80220E+07 ppm1 8.546 ppm2 4.513 ASSI { 836} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB3 )) 2.700 2.700 2.800 peak 836 weight 0.10000E+01 volume 0.25430E+07 ppm1 8.546 ppm2 1.803 ASSI { 837} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.700 2.700 2.800 peak 837 weight 0.10000E+01 volume 0.23770E+07 ppm1 8.546 ppm2 2.126 ASSI { 842} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB3 )) 2.600 0.800 0.800 peak 842 weight 0.10000E+01 volume 0.27790E+07 ppm1 8.522 ppm2 2.475 ASSI { 843} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.400 0.700 0.700 peak 843 weight 0.10000E+01 volume 0.48670E+07 ppm1 8.522 ppm2 4.396 ASSI { 844} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.700 2.700 2.800 peak 844 weight 0.10000E+01 volume 0.21450E+07 ppm1 8.522 ppm2 3.550 ASSI { 845} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.100 1.100 peak 845 weight 0.10000E+01 volume 0.14520E+07 ppm1 8.522 ppm2 4.050 ASSI { 846} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.000 1.100 1.100 peak 846 weight 0.10000E+01 volume 0.11960E+07 ppm1 8.522 ppm2 1.944 OR { 846} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB3 )) ASSI { 847} (( segid " " and resid 67 and name HN )) ( segid " " and resid 73 and name HG2%) 3.000 1.100 1.100 peak 847 weight 0.10000E+01 volume 0.13720E+07 ppm1 8.522 ppm2 0.774 ASSI { 848} (( segid " " and resid 67 and name HN )) (( segid " " and resid 74 and name HA )) 5.500 3.800 0.000 peak 848 weight 0.10000E+01 volume -0.77140E+06 ppm1 8.522 ppm2 4.284 ASSI { 849} (( segid " " and resid 67 and name HN )) (( segid " " and resid 73 and name HN )) 3.400 1.400 1.400 peak 849 weight 0.10000E+01 volume 0.63720E+06 ppm1 8.522 ppm2 7.502 ASSI { 851} (( segid " " and resid 67 and name HN )) (( segid " " and resid 73 and name HB )) 3.600 1.600 1.600 peak 851 weight 0.10000E+01 volume 0.39530E+06 ppm1 8.522 ppm2 3.831 ASSI { 853} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 853 weight 0.10000E+01 volume 0.49040E+07 ppm1 9.115 ppm2 2.556 OR { 853} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB3 )) ASSI { 854} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 854 weight 0.10000E+01 volume 0.20920E+07 ppm1 9.115 ppm2 4.670 ASSI { 856} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.700 0.900 0.900 peak 856 weight 0.10000E+01 volume 0.21450E+07 ppm1 9.115 ppm2 4.944 ASSI { 857} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HD% ) 3.100 1.200 1.200 peak 857 weight 0.10000E+01 volume 0.99420E+06 ppm1 9.115 ppm2 6.895 ASSI { 858} (( segid " " and resid 63 and name HN )) (( segid " " and resid 77 and name HB3 )) 2.700 2.700 2.800 peak 858 weight 0.10000E+01 volume 0.21900E+07 ppm1 9.115 ppm2 1.855 ASSI { 859} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB3 )) 3.300 1.400 1.400 peak 859 weight 0.10000E+01 volume 0.69150E+06 ppm1 9.115 ppm2 2.342 ASSI { 860} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 3.300 1.400 1.400 peak 860 weight 0.10000E+01 volume 0.76850E+06 ppm1 9.115 ppm2 7.484 ASSI { 861} (( segid " " and resid 63 and name HN )) (( segid " " and resid 77 and name HN )) 2.900 1.100 1.100 peak 861 weight 0.10000E+01 volume 0.14190E+07 ppm1 9.115 ppm2 8.925 ASSI { 862} (( segid " " and resid 63 and name HN )) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.700 peak 862 weight 0.10000E+01 volume 0.31280E+06 ppm1 9.115 ppm2 8.278 ASSI { 865} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB3 )) 2.600 2.600 2.900 peak 865 weight 0.10000E+01 volume 0.27000E+07 ppm1 9.098 ppm2 1.302 ASSI { 867} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 0.800 0.800 peak 867 weight 0.10000E+01 volume 0.27690E+07 ppm1 9.098 ppm2 4.593 ASSI { 868} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.600 0.800 0.800 peak 868 weight 0.10000E+01 volume 0.32100E+07 ppm1 9.098 ppm2 1.603 ASSI { 869} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HG1%) 2.900 1.100 1.100 peak 869 weight 0.10000E+01 volume 0.15780E+07 ppm1 9.098 ppm2 0.645 ASSI { 871} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB3 )) 2.700 0.900 0.900 peak 871 weight 0.10000E+01 volume 0.23050E+07 ppm1 9.098 ppm2 1.999 ASSI { 872} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 3.100 3.100 2.400 peak 872 weight 0.10000E+01 volume 0.10060E+07 ppm1 9.098 ppm2 8.822 ASSI { 873} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HD% ) 3.500 1.500 1.500 peak 873 weight 0.10000E+01 volume 0.48080E+06 ppm1 9.098 ppm2 6.320 ASSI { 874} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.500 1.500 1.500 peak 874 weight 0.10000E+01 volume 0.51760E+06 ppm1 9.098 ppm2 4.225 ASSI { 882} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.500 0.800 0.800 peak 882 weight 0.10000E+01 volume 0.38560E+07 ppm1 9.062 ppm2 4.837 ASSI { 883} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.200 1.300 1.300 peak 883 weight 0.10000E+01 volume 0.80830E+06 ppm1 9.062 ppm2 2.155 ASSI { 884} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HG2%) 3.100 1.200 1.200 peak 884 weight 0.10000E+01 volume 0.10000E+07 ppm1 9.062 ppm2 -0.157 ASSI { 885} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HB3 )) 3.300 3.300 2.200 peak 885 weight 0.10000E+01 volume 0.77200E+06 ppm1 9.062 ppm2 0.780 ASSI { 886} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 3.600 1.600 1.600 peak 886 weight 0.10000E+01 volume 0.44550E+06 ppm1 9.062 ppm2 9.432 ASSI { 887} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG3 )) 3.400 1.400 1.400 peak 887 weight 0.10000E+01 volume 0.60040E+06 ppm1 9.062 ppm2 1.799 OR { 887} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG2 )) ASSI { 888} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.600 1.600 1.600 peak 888 weight 0.10000E+01 volume 0.40810E+06 ppm1 9.062 ppm2 5.115 ASSI { 889} (( segid " " and resid 38 and name HN )) (( segid " " and resid 31 and name HN )) 5.500 3.800 0.000 peak 889 weight 0.10000E+01 volume -0.32260E+06 ppm1 9.062 ppm2 8.925 ASSI { 905} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.300 0.700 0.700 peak 905 weight 0.10000E+01 volume 0.65210E+07 ppm1 8.536 ppm2 5.118 ASSI { 906} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG2%) 2.400 2.400 3.100 peak 906 weight 0.10000E+01 volume 0.48530E+07 ppm1 8.536 ppm2 0.667 ASSI { 908} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG2 )) 2.600 0.800 0.800 peak 908 weight 0.10000E+01 volume 0.28080E+07 ppm1 8.536 ppm2 1.387 ASSI { 909} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.700 2.700 2.800 peak 909 weight 0.10000E+01 volume 0.22470E+07 ppm1 8.536 ppm2 1.875 ASSI { 910} (( segid " " and resid 65 and name HN )) (( segid " " and resid 76 and name HA )) 3.300 1.400 1.400 peak 910 weight 0.10000E+01 volume 0.70160E+06 ppm1 8.536 ppm2 4.932 ASSI { 911} (( segid " " and resid 65 and name HN )) ( segid " " and resid 75 and name HG1%) 3.000 3.000 2.500 peak 911 weight 0.10000E+01 volume 0.12650E+07 ppm1 8.536 ppm2 0.838 ASSI { 913} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 3.400 1.400 1.400 peak 913 weight 0.10000E+01 volume 0.57950E+06 ppm1 8.536 ppm2 8.845 ASSI { 914} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HD2 )) 3.300 1.400 1.400 peak 914 weight 0.10000E+01 volume 0.65860E+06 ppm1 8.536 ppm2 2.992 OR { 914} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HD3 )) ASSI { 915} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 915 weight 0.10000E+01 volume 0.92140E+06 ppm1 8.536 ppm2 4.617 ASSI { 916} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG3 )) 3.600 1.600 1.600 peak 916 weight 0.10000E+01 volume 0.45700E+06 ppm1 8.536 ppm2 1.272 ASSI { 917} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB3 )) 3.600 1.600 1.600 peak 917 weight 0.10000E+01 volume 0.43020E+06 ppm1 8.536 ppm2 1.556 ASSI { 919} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB3 )) 2.900 1.100 1.100 peak 919 weight 0.10000E+01 volume 0.16350E+07 ppm1 8.534 ppm2 3.750 OR { 919} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 920} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 920 weight 0.10000E+01 volume 0.11630E+07 ppm1 8.534 ppm2 4.081 ASSI { 921} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) 3.200 1.300 1.300 peak 921 weight 0.10000E+01 volume 0.93550E+06 ppm1 8.534 ppm2 1.208 ASSI { 923} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.000 1.100 1.100 peak 923 weight 0.10000E+01 volume 0.12850E+07 ppm1 8.534 ppm2 4.265 ASSI { 924} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.200 0.600 0.600 peak 924 weight 0.10000E+01 volume 0.76530E+07 ppm1 8.554 ppm2 4.490 ASSI { 927} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 2.400 0.700 0.700 peak 927 weight 0.10000E+01 volume 0.45860E+07 ppm1 8.524 ppm2 8.140 ASSI { 928} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HB% ) 2.700 0.900 0.900 peak 928 weight 0.10000E+01 volume 0.23850E+07 ppm1 8.524 ppm2 1.054 ASSI { 929} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD1 )) 2.700 0.900 0.900 peak 929 weight 0.10000E+01 volume 0.26300E+07 ppm1 8.524 ppm2 7.787 ASSI { 930} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.600 0.800 0.800 peak 930 weight 0.10000E+01 volume 0.27860E+07 ppm1 8.524 ppm2 3.487 ASSI { 931} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.600 2.600 2.900 peak 931 weight 0.10000E+01 volume 0.30960E+07 ppm1 8.524 ppm2 3.064 ASSI { 932} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.800 1.000 1.000 peak 932 weight 0.10000E+01 volume 0.17740E+07 ppm1 8.524 ppm2 2.747 ASSI { 933} (( segid " " and resid 103 and name HN )) ( segid " " and resid 104 and name HD1%) 2.800 2.800 2.700 peak 933 weight 0.10000E+01 volume 0.17770E+07 ppm1 8.524 ppm2 0.720 ASSI { 934} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HA )) 3.100 1.200 1.200 peak 934 weight 0.10000E+01 volume 0.10570E+07 ppm1 8.524 ppm2 3.755 ASSI { 935} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HN )) 3.300 1.400 1.400 peak 935 weight 0.10000E+01 volume 0.70900E+06 ppm1 8.524 ppm2 7.586 ASSI { 936} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.200 3.200 2.300 peak 936 weight 0.10000E+01 volume 0.84700E+06 ppm1 8.524 ppm2 1.737 ASSI { 938} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HB% ) 2.300 0.700 0.700 peak 938 weight 0.10000E+01 volume 0.70050E+07 ppm1 7.579 ppm2 1.293 ASSI { 939} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 939 weight 0.10000E+01 volume 0.37240E+07 ppm1 7.579 ppm2 4.098 ASSI { 941} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.900 1.100 1.100 peak 941 weight 0.10000E+01 volume 0.13930E+07 ppm1 7.579 ppm2 3.976 ASSI { 942} (( segid " " and resid 42 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.900 2.900 2.600 peak 942 weight 0.10000E+01 volume 0.16900E+07 ppm1 8.912 ppm2 1.499 ASSI { 943} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB3 )) 2.800 1.000 1.000 peak 943 weight 0.10000E+01 volume 0.17600E+07 ppm1 8.912 ppm2 1.851 OR { 943} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 945} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.800 1.000 1.000 peak 945 weight 0.10000E+01 volume 0.18690E+07 ppm1 8.912 ppm2 4.919 ASSI { 946} (( segid " " and resid 42 and name HN )) ( segid " " and resid 27 and name HD2%) 3.600 1.600 1.600 peak 946 weight 0.10000E+01 volume 0.40670E+06 ppm1 8.912 ppm2 0.688 OR { 946} (( segid " " and resid 42 and name HN )) ( segid " " and resid 27 and name HD1%) ASSI { 947} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) 3.500 1.500 1.500 peak 947 weight 0.10000E+01 volume 0.49630E+06 ppm1 8.912 ppm2 2.673 ASSI { 948} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB3 )) 4.600 2.600 0.900 peak 948 weight 0.10000E+01 volume 0.94280E+05 ppm1 8.912 ppm2 2.166 ASSI { 952} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.500 0.800 0.800 peak 952 weight 0.10000E+01 volume 0.35310E+07 ppm1 7.504 ppm2 2.562 ASSI { 953} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HD% ) 2.700 0.900 0.900 peak 953 weight 0.10000E+01 volume 0.22330E+07 ppm1 7.504 ppm2 6.903 ASSI { 954} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.800 1.000 1.000 peak 954 weight 0.10000E+01 volume 0.19760E+07 ppm1 7.504 ppm2 4.328 ASSI { 956} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 956 weight 0.10000E+01 volume 0.21930E+07 ppm1 7.504 ppm2 4.637 ASSI { 957} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB3 )) 3.000 1.100 1.100 peak 957 weight 0.10000E+01 volume 0.12520E+07 ppm1 7.504 ppm2 2.348 ASSI { 959} (( segid " " and resid 62 and name HN )) ( segid " " and resid 59 and name HD1%) 3.200 3.200 2.300 peak 959 weight 0.10000E+01 volume 0.89170E+06 ppm1 7.504 ppm2 0.580 OR { 959} (( segid " " and resid 62 and name HN )) ( segid " " and resid 59 and name HD2%) ASSI { 960} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB3 )) 3.000 1.100 1.100 peak 960 weight 0.10000E+01 volume 0.13120E+07 ppm1 7.504 ppm2 1.808 OR { 960} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 961} (( segid " " and resid 62 and name HN )) (( segid " " and resid 79 and name HG3 )) 3.600 1.600 1.600 peak 961 weight 0.10000E+01 volume 0.40010E+06 ppm1 7.504 ppm2 3.454 ASSI { 963} (( segid " " and resid 62 and name HN )) ( segid " " and resid 83 and name HD2%) 3.500 3.500 2.000 peak 963 weight 0.10000E+01 volume 0.49710E+06 ppm1 7.504 ppm2 0.700 ASSI { 969} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB )) 2.500 0.800 0.800 peak 969 weight 0.10000E+01 volume 0.38620E+07 ppm1 7.489 ppm2 3.824 ASSI { 970} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HG2%) 2.700 2.700 2.800 peak 970 weight 0.10000E+01 volume 0.22670E+07 ppm1 7.489 ppm2 0.744 ASSI { 971} (( segid " " and resid 73 and name HN )) (( segid " " and resid 67 and name HB3 )) 2.900 1.100 1.100 peak 971 weight 0.10000E+01 volume 0.16180E+07 ppm1 7.489 ppm2 2.456 ASSI { 972} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.400 0.700 0.700 peak 972 weight 0.10000E+01 volume 0.43740E+07 ppm1 7.489 ppm2 4.629 ASSI { 974} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 3.400 1.400 1.400 peak 974 weight 0.10000E+01 volume 0.60170E+06 ppm1 7.489 ppm2 9.069 ASSI { 975} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 3.300 1.400 1.400 peak 975 weight 0.10000E+01 volume 0.72180E+06 ppm1 7.489 ppm2 7.720 ASSI { 977} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.900 1.900 1.600 peak 977 weight 0.10000E+01 volume 0.27600E+06 ppm1 7.489 ppm2 1.828 ASSI { 983} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB )) 2.900 1.100 1.100 peak 983 weight 0.10000E+01 volume 0.14620E+07 ppm1 8.798 ppm2 4.247 ASSI { 984} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 984 weight 0.10000E+01 volume 0.12700E+07 ppm1 8.798 ppm2 5.540 ASSI { 986} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) 3.300 1.400 1.400 peak 986 weight 0.10000E+01 volume 0.77330E+06 ppm1 8.798 ppm2 2.666 OR { 986} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG3 )) ASSI { 987} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.300 1.400 1.400 peak 987 weight 0.10000E+01 volume 0.73050E+06 ppm1 8.798 ppm2 2.015 ASSI { 988} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HG2%) 3.200 1.300 1.300 peak 988 weight 0.10000E+01 volume 0.81450E+06 ppm1 8.798 ppm2 1.047 ASSI { 990} (( segid " " and resid 41 and name HN )) ( segid " " and resid 51 and name HD% ) 3.400 1.400 1.400 peak 990 weight 0.10000E+01 volume 0.64440E+06 ppm1 8.798 ppm2 6.847 ASSI { 991} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB3 )) 4.100 2.100 1.400 peak 991 weight 0.10000E+01 volume 0.19040E+06 ppm1 8.798 ppm2 1.862 ASSI { 994} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.500 0.800 0.800 peak 994 weight 0.10000E+01 volume 0.34040E+07 ppm1 8.410 ppm2 4.635 ASSI { 995} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB3 )) 3.200 1.300 1.300 peak 995 weight 0.10000E+01 volume 0.87070E+06 ppm1 8.410 ppm2 2.619 ASSI { 997} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD% ) 3.300 1.400 1.400 peak 997 weight 0.10000E+01 volume 0.67270E+06 ppm1 8.410 ppm2 6.728 ASSI { 998} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HG2%) 3.800 1.800 1.700 peak 998 weight 0.10000E+01 volume 0.31790E+06 ppm1 8.410 ppm2 1.043 ASSI { 1001} (( segid " " and resid 59 and name HN )) ( segid " " and resid 62 and name HD% ) 4.400 2.400 1.100 peak 1001 weight 0.10000E+01 volume 0.12270E+06 ppm1 8.555 ppm2 6.928 ASSI { 1002} (( segid " " and resid 39 and name HN )) (( segid " " and resid 57 and name HB )) 5.500 3.800 0.000 peak 1002 weight 0.10000E+01 volume -0.36450E+07 ppm1 9.409 ppm2 1.557 ASSI { 1004} (( segid " " and resid 30 and name HN )) (( segid " " and resid 15 and name HA )) 2.600 0.800 0.800 peak 1004 weight 0.10000E+01 volume 0.28790E+07 ppm1 8.699 ppm2 4.540 ASSI { 1005} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB )) 3.000 1.100 1.100 peak 1005 weight 0.10000E+01 volume 0.11720E+07 ppm1 8.699 ppm2 1.569 ASSI { 1006} (( segid " " and resid 30 and name HN )) (( segid " " and resid 14 and name HN )) 3.100 1.200 1.200 peak 1006 weight 0.10000E+01 volume 0.10220E+07 ppm1 8.699 ppm2 8.382 ASSI { 1007} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HG1%) 3.300 1.400 1.400 peak 1007 weight 0.10000E+01 volume 0.67400E+06 ppm1 8.699 ppm2 0.491 ASSI { 1008} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 4.100 2.100 1.400 peak 1008 weight 0.10000E+01 volume 0.19360E+06 ppm1 8.699 ppm2 4.638 ASSI { 1009} (( segid " " and resid 19 and name HE1 )) (( segid " " and resid 19 and name HZ2 )) 2.100 2.100 3.400 peak 1009 weight 0.10000E+01 volume 0.10100E+08 ppm1 10.096 ppm2 7.226 ASSI { 1014} (( segid " " and resid 19 and name HE1 )) (( segid " " and resid 19 and name HH2 )) 3.000 3.000 2.500 peak 1014 weight 0.10000E+01 volume 0.12130E+07 ppm1 10.096 ppm2 6.739 ASSI { 1015} (( segid " " and resid 19 and name HE1 )) (( segid " " and resid 25 and name HB2 )) 3.200 1.300 1.300 peak 1015 weight 0.10000E+01 volume 0.87680E+06 ppm1 10.096 ppm2 0.624 ASSI { 1016} (( segid " " and resid 19 and name HE1 )) (( segid " " and resid 25 and name HB3 )) 3.300 3.300 2.200 peak 1016 weight 0.10000E+01 volume 0.73800E+06 ppm1 10.096 ppm2 -0.400 ASSI { 1017} (( segid " " and resid 19 and name HE1 )) (( segid " " and resid 19 and name HB2 )) 4.200 2.200 1.300 peak 1017 weight 0.10000E+01 volume 0.16430E+06 ppm1 10.096 ppm2 3.151 ASSI { 1030} (( segid " " and resid 103 and name HE1 )) (( segid " " and resid 14 and name HA )) 3.000 3.000 2.500 peak 1030 weight 0.10000E+01 volume 0.13800E+07 ppm1 12.009 ppm2 4.547 ASSI { 1032} (( segid " " and resid 103 and name HE1 )) (( segid " " and resid 103 and name HD1 )) 3.000 1.100 1.100 peak 1032 weight 0.10000E+01 volume 0.11800E+07 ppm1 12.009 ppm2 7.793 ASSI { 1037} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HD% ) 5.500 3.800 0.000 peak 1037 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.706 ppm2 6.333 ASSI { 1038} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HD1%) 5.500 3.800 0.000 peak 1038 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.536 ppm2 0.935 ASSI { 1040} (( segid " " and resid 73 and name HN )) (( segid " " and resid 67 and name HB2 )) 5.500 3.800 0.000 peak 1040 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 3.585 ASSI { 12} ( segid " " and resid 114 and name HD% ) ( segid " " and resid 114 and name HE% ) 2.400 0.700 0.700 peak 12 weight 0.10000E+01 volume 0.45410E+06 ppm1 6.973 ppm2 6.204 ASSI { 54} ( segid " " and resid 33 and name HE% ) ( segid " " and resid 33 and name HD% ) 1.700 0.400 0.500 peak 54 weight 0.10000E+01 volume 0.43750E+07 ppm1 6.834 ppm2 6.830 ASSI { 57} ( segid " " and resid 93 and name HD% ) ( segid " " and resid 93 and name HE% ) 5.500 3.800 0.000 peak 57 weight 0.10000E+01 volume -0.22080E+06 ppm1 7.115 ppm2 7.222 ASSI { 65} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 31 and name HE% ) 1.900 0.500 0.500 peak 65 weight 0.10000E+01 volume 0.20630E+07 ppm1 6.833 ppm2 6.953 ASSI { 73} ( segid " " and resid 86 and name HD% ) ( segid " " and resid 86 and name HE% ) 2.200 0.600 0.600 peak 73 weight 0.10000E+01 volume 0.75820E+06 ppm1 6.711 ppm2 6.120 ASSI { 77} (( segid " " and resid 103 and name HH2 )) (( segid " " and resid 103 and name HZ2 )) 2.300 0.700 0.700 peak 77 weight 0.10000E+01 volume 0.64730E+06 ppm1 6.329 ppm2 5.832 ASSI { 81} ( segid " " and resid 51 and name HE% ) ( segid " " and resid 54 and name HE% ) 1.900 1.900 3.600 peak 81 weight 0.10000E+01 volume 0.17490E+07 ppm1 6.613 ppm2 6.973 ASSI { 84} ( segid " " and resid 51 and name HD% ) ( segid " " and resid 51 and name HE% ) 2.700 0.900 0.900 peak 84 weight 0.10000E+01 volume 0.22550E+06 ppm1 6.871 ppm2 6.622 ASSI { 221} (( segid " " and resid 99 and name HB )) (( segid " " and resid 103 and name HD1 )) 3.600 1.600 1.600 peak 221 weight 0.10000E+01 volume 0.41150E+05 ppm1 1.759 ppm2 7.786 ASSI { 223} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HN )) 3.200 1.300 1.300 peak 223 weight 0.10000E+01 volume 0.88080E+05 ppm1 1.384 ppm2 7.782 OR { 223} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HN )) ASSI { 229} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HD1 )) 2.800 1.000 1.000 peak 229 weight 0.10000E+01 volume 0.18000E+06 ppm1 3.476 ppm2 7.791 ASSI { 245} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 19 and name HE3 )) 2.700 2.700 2.800 peak 245 weight 0.10000E+01 volume 0.21190E+06 ppm1 1.632 ppm2 7.543 ASSI { 250} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 19 and name HE3 )) 3.000 1.100 1.100 peak 250 weight 0.10000E+01 volume 0.11180E+06 ppm1 1.374 ppm2 7.540 ASSI { 261} (( segid " " and resid 19 and name HZ3 )) (( segid " " and resid 19 and name HE3 )) 2.500 0.800 0.800 peak 261 weight 0.10000E+01 volume 0.37830E+06 ppm1 6.668 ppm2 7.541 ASSI { 262} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HE3 )) 3.100 1.200 1.200 peak 262 weight 0.10000E+01 volume 0.10090E+06 ppm1 4.840 ppm2 7.540 ASSI { 264} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HE3 )) 2.800 1.000 1.000 peak 264 weight 0.10000E+01 volume 0.17930E+06 ppm1 3.146 ppm2 7.543 ASSI { 270} (( segid " " and resid 92 and name HA )) (( segid " " and resid 91 and name HN )) 2.900 2.900 2.600 peak 270 weight 0.10000E+01 volume 0.14600E+06 ppm1 4.534 ppm2 7.460 ASSI { 294} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD1 )) 2.600 2.600 2.900 peak 294 weight 0.10000E+01 volume 0.29320E+06 ppm1 3.180 ppm2 7.243 ASSI { 301} (( segid " " and resid 19 and name HH2 )) (( segid " " and resid 19 and name HZ2 )) 2.200 0.600 0.600 peak 301 weight 0.10000E+01 volume 0.70820E+06 ppm1 6.773 ppm2 7.209 ASSI { 314} (( segid " " and resid 103 and name HH2 )) (( segid " " and resid 103 and name HE3 )) 2.400 2.400 3.100 peak 314 weight 0.10000E+01 volume 0.48590E+06 ppm1 6.334 ppm2 7.006 ASSI { 317} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 103 and name HE3 )) 3.600 1.600 1.600 peak 317 weight 0.10000E+01 volume 0.42620E+05 ppm1 0.078 ppm2 7.008 ASSI { 318} (( segid " " and resid 103 and name HZ3 )) (( segid " " and resid 103 and name HE3 )) 2.700 0.900 0.900 peak 318 weight 0.10000E+01 volume 0.22720E+06 ppm1 6.459 ppm2 6.997 ASSI { 320} ( segid " " and resid 40 and name HG2%) ( segid " " and resid 31 and name HD% ) 3.200 3.200 2.300 peak 320 weight 0.10000E+01 volume 0.88470E+05 ppm1 1.035 ppm2 6.971 ASSI { 338} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 98 and name HD% ) 2.600 2.600 2.900 peak 338 weight 0.10000E+01 volume 0.27860E+06 ppm1 0.938 ppm2 6.911 ASSI { 345} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 62 and name HD% ) 2.600 0.800 0.800 peak 345 weight 0.10000E+01 volume 0.31720E+06 ppm1 2.562 ppm2 6.902 ASSI { 350} (( segid " " and resid 59 and name HA )) ( segid " " and resid 62 and name HD% ) 2.500 0.800 0.800 peak 350 weight 0.10000E+01 volume 0.36390E+06 ppm1 3.803 ppm2 6.908 ASSI { 355} (( segid " " and resid 62 and name HA )) ( segid " " and resid 62 and name HD% ) 2.800 1.000 1.000 peak 355 weight 0.10000E+01 volume 0.20220E+06 ppm1 4.660 ppm2 6.904 ASSI { 357} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 62 and name HD% ) 2.600 0.800 0.800 peak 357 weight 0.10000E+01 volume 0.30510E+06 ppm1 1.308 ppm2 6.917 ASSI { 358} ( segid " " and resid 57 and name HD1%) ( segid " " and resid 62 and name HD% ) 3.300 1.400 1.400 peak 358 weight 0.10000E+01 volume 0.71170E+05 ppm1 -0.191 ppm2 6.905 ASSI { 360} (( segid " " and resid 63 and name HA )) ( segid " " and resid 62 and name HD% ) 2.700 2.700 2.800 peak 360 weight 0.10000E+01 volume 0.23960E+06 ppm1 4.902 ppm2 6.911 ASSI { 362} (( segid " " and resid 64 and name HB )) ( segid " " and resid 62 and name HD% ) 2.700 0.900 0.900 peak 362 weight 0.10000E+01 volume 0.24340E+06 ppm1 1.592 ppm2 6.913 ASSI { 365} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 365 weight 0.10000E+01 volume 0.71210E+05 ppm1 2.170 ppm2 6.841 ASSI { 367} (( segid " " and resid 33 and name HB3 )) ( segid " " and resid 33 and name HD% ) 2.400 0.700 0.700 peak 367 weight 0.10000E+01 volume 0.46040E+06 ppm1 2.608 ppm2 6.850 ASSI { 376} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD% ) 2.600 0.800 0.800 peak 376 weight 0.10000E+01 volume 0.30860E+06 ppm1 3.192 ppm2 6.837 ASSI { 377} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD% ) 2.800 1.000 1.000 peak 377 weight 0.10000E+01 volume 0.18530E+06 ppm1 2.863 ppm2 6.833 ASSI { 379} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD% ) 2.800 1.000 1.000 peak 379 weight 0.10000E+01 volume 0.16740E+06 ppm1 4.744 ppm2 6.834 ASSI { 396} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 29 and name HE% ) 2.800 2.800 2.700 peak 396 weight 0.10000E+01 volume 0.18580E+06 ppm1 1.905 ppm2 6.763 ASSI { 408} ( segid " " and resid 27 and name HD2%) ( segid " " and resid 29 and name HD% ) 2.900 1.100 1.100 peak 408 weight 0.10000E+01 volume 0.15130E+06 ppm1 0.616 ppm2 6.734 ASSI { 425} (( segid " " and resid 20 and name HG2 )) ( segid " " and resid 39 and name HE% ) 2.600 0.800 0.800 peak 425 weight 0.10000E+01 volume 0.25990E+06 ppm1 1.959 ppm2 6.623 OR { 425} (( segid " " and resid 20 and name HG3 )) ( segid " " and resid 39 and name HE% ) ASSI { 429} ( segid " " and resid 57 and name HG2%) ( segid " " and resid 39 and name HE% ) 2.400 2.400 3.100 peak 429 weight 0.10000E+01 volume 0.41140E+06 ppm1 0.594 ppm2 6.615 ASSI { 432} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HD2 )) 2.900 1.100 1.100 peak 432 weight 0.10000E+01 volume 0.16000E+06 ppm1 2.484 ppm2 6.551 ASSI { 444} (( segid " " and resid 103 and name HH2 )) (( segid " " and resid 103 and name HZ3 )) 5.500 3.800 0.000 peak 444 weight 0.10000E+01 volume -0.17650E+06 ppm1 6.311 ppm2 6.445 ASSI { 445} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 103 and name HZ3 )) 2.600 0.800 0.800 peak 445 weight 0.10000E+01 volume 0.32080E+06 ppm1 0.056 ppm2 6.442 OR { 445} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 103 and name HZ3 )) ASSI { 455} ( segid " " and resid 88 and name HD1%) ( segid " " and resid 16 and name HD% ) 3.100 1.200 1.200 peak 455 weight 0.10000E+01 volume 0.10860E+06 ppm1 -0.803 ppm2 6.319 ASSI { 458} ( segid " " and resid 30 and name HG2%) ( segid " " and resid 16 and name HD% ) 2.700 2.700 2.800 peak 458 weight 0.10000E+01 volume 0.23130E+06 ppm1 0.061 ppm2 6.318 ASSI { 468} (( segid " " and resid 86 and name HZ )) ( segid " " and resid 86 and name HD% ) 2.800 1.000 1.000 peak 468 weight 0.10000E+01 volume 0.18590E+06 ppm1 5.744 ppm2 6.712 ASSI { 469} ( segid " " and resid 88 and name HG2%) ( segid " " and resid 86 and name HE% ) 2.600 0.800 0.800 peak 469 weight 0.10000E+01 volume 0.31550E+06 ppm1 0.584 ppm2 6.121 ASSI { 470} ( segid " " and resid 57 and name HD1%) ( segid " " and resid 86 and name HD% ) 2.800 1.000 1.000 peak 470 weight 0.10000E+01 volume 0.19570E+06 ppm1 -0.177 ppm2 6.123 ASSI { 472} ( segid " " and resid 30 and name HG1%) ( segid " " and resid 86 and name HE% ) 2.800 1.000 1.000 peak 472 weight 0.10000E+01 volume 0.17610E+06 ppm1 0.469 ppm2 6.122 ASSI { 481} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 103 and name HZ2 )) 2.800 2.800 2.700 peak 481 weight 0.10000E+01 volume 0.19660E+06 ppm1 0.481 ppm2 5.829 ASSI { 482} ( segid " " and resid 39 and name HE% ) (( segid " " and resid 86 and name HZ )) 2.900 1.100 1.100 peak 482 weight 0.10000E+01 volume 0.13510E+06 ppm1 6.624 ppm2 5.734 ASSI { 484} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 2.400 0.700 0.700 peak 484 weight 0.10000E+01 volume 0.47470E+06 ppm1 2.662 ppm2 5.739 ASSI { 486} ( segid " " and resid 88 and name HG2%) (( segid " " and resid 86 and name HZ )) 2.500 2.500 3.000 peak 486 weight 0.10000E+01 volume 0.34220E+06 ppm1 0.584 ppm2 5.719 ASSI { 1184} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 54 and name HD% ) 2.100 0.600 0.600 peak 1184 weight 0.10000E+01 volume 0.11660E+07 ppm1 6.956 ppm2 6.662 ASSI { 1195} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 29 and name HD% ) 2.200 2.200 3.300 peak 1195 weight 0.10000E+01 volume 0.77040E+06 ppm1 6.924 ppm2 6.634 ASSI { 1200} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HE3 )) 3.300 1.400 1.400 peak 1200 weight 0.10000E+01 volume 0.74390E+05 ppm1 3.090 ppm2 7.003 ASSI { 1242} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HE3 )) 3.900 1.900 1.600 peak 1242 weight 0.10000E+01 volume 0.23540E+05 ppm1 3.488 ppm2 7.010 ASSI { 1243} (( segid " " and resid 90 and name HA )) ( segid " " and resid 16 and name HD% ) 2.900 1.100 1.100 peak 1243 weight 0.10000E+01 volume 0.13790E+06 ppm1 3.433 ppm2 6.325 ASSI { 1245} (( segid " " and resid 103 and name HZ2 )) (( segid " " and resid 103 and name HE3 )) 2.900 2.900 2.600 peak 1245 weight 0.10000E+01 volume 0.14990E+06 ppm1 5.841 ppm2 6.999 ASSI { 1252} ( segid " " and resid 64 and name HD1%) ( segid " " and resid 62 and name HE% ) 2.600 0.800 0.800 peak 1252 weight 0.10000E+01 volume 0.27970E+06 ppm1 0.944 ppm2 6.672 ASSI { 1256} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HD1 )) 3.300 1.400 1.400 peak 1256 weight 0.10000E+01 volume 0.72080E+05 ppm1 4.334 ppm2 7.244 ASSI { 1261} (( segid " " and resid 88 and name HA )) (( segid " " and resid 19 and name HE3 )) 3.100 3.100 2.400 peak 1261 weight 0.10000E+01 volume 0.93430E+05 ppm1 5.940 ppm2 7.544 ASSI { 1264} (( segid " " and resid 19 and name HH2 )) (( segid " " and resid 19 and name HE3 )) 3.200 1.300 1.300 peak 1264 weight 0.10000E+01 volume 0.76960E+05 ppm1 6.726 ppm2 7.536 ASSI { 1273} (( segid " " and resid 86 and name HZ )) ( segid " " and resid 86 and name HE% ) 2.400 0.700 0.700 peak 1273 weight 0.10000E+01 volume 0.44460E+06 ppm1 5.735 ppm2 6.119 ASSI { 1276} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 98 and name HD% ) 3.400 1.400 1.400 peak 1276 weight 0.10000E+01 volume 0.58690E+05 ppm1 1.973 ppm2 6.915 ASSI { 1285} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 51 and name HD% ) 2.700 0.900 0.900 peak 1285 weight 0.10000E+01 volume 0.20480E+06 ppm1 2.552 ppm2 6.832 ASSI { 1296} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 39 and name HD% ) 3.500 1.500 1.500 peak 1296 weight 0.10000E+01 volume 0.50020E+05 ppm1 3.169 ppm2 6.698 ASSI { 1297} (( segid " " and resid 19 and name HZ3 )) (( segid " " and resid 19 and name HZ2 )) 5.500 3.800 0.000 peak 1297 weight 0.10000E+01 volume -0.14290E+05 ppm1 6.646 ppm2 7.216 ASSI { 1300} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 19 and name HD1 )) 3.500 1.500 1.500 peak 1300 weight 0.10000E+01 volume 0.50650E+05 ppm1 0.642 ppm2 7.246 ASSI { 1302} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HD% ) 2.500 0.800 0.800 peak 1302 weight 0.10000E+01 volume 0.38200E+06 ppm1 4.588 ppm2 6.321 ASSI { 1303} (( segid " " and resid 14 and name HA )) (( segid " " and resid 103 and name HZ2 )) 2.500 2.500 3.000 peak 1303 weight 0.10000E+01 volume 0.35550E+06 ppm1 4.567 ppm2 5.833 ASSI { 1304} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 103 and name HZ2 )) 3.000 1.100 1.100 peak 1304 weight 0.10000E+01 volume 0.11910E+06 ppm1 2.111 ppm2 5.840 ASSI { 1305} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 103 and name HZ2 )) 3.300 1.400 1.400 peak 1305 weight 0.10000E+01 volume 0.68790E+05 ppm1 1.847 ppm2 5.830 ASSI { 1306} (( segid " " and resid 30 and name HB )) (( segid " " and resid 103 and name HZ2 )) 3.500 3.500 2.000 peak 1306 weight 0.10000E+01 volume 0.48630E+05 ppm1 1.600 ppm2 5.828 ASSI { 1308} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HD1 )) 3.400 1.400 1.400 peak 1308 weight 0.10000E+01 volume 0.59660E+05 ppm1 3.076 ppm2 7.786 ASSI { 1311} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HD1 )) 3.400 1.400 1.400 peak 1311 weight 0.10000E+01 volume 0.54350E+05 ppm1 2.748 ppm2 7.802 ASSI { 1312} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 118 and name HN )) 3.500 1.500 1.500 peak 1312 weight 0.10000E+01 volume 0.44230E+05 ppm1 2.368 ppm2 7.783 ASSI { 1315} (( segid " " and resid 88 and name HB )) ( segid " " and resid 16 and name HD% ) 3.100 1.200 1.200 peak 1315 weight 0.10000E+01 volume 0.10940E+06 ppm1 1.316 ppm2 6.331 ASSI { 1322} ( segid " " and resid 88 and name HD1%) ( segid " " and resid 16 and name HE% ) 2.700 2.700 2.800 peak 1322 weight 0.10000E+01 volume 0.21070E+06 ppm1 -0.798 ppm2 5.826 ASSI { 1324} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 86 and name HZ )) 3.200 1.300 1.300 peak 1324 weight 0.10000E+01 volume 0.75620E+05 ppm1 0.404 ppm2 5.717 ASSI { 1326} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HD% ) 3.300 1.400 1.400 peak 1326 weight 0.10000E+01 volume 0.64320E+05 ppm1 4.151 ppm2 7.115 ASSI { 1327} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 93 and name HD% ) 3.000 1.100 1.100 peak 1327 weight 0.10000E+01 volume 0.12400E+06 ppm1 3.739 ppm2 7.109 ASSI { 1333} (( segid " " and resid 9 and name HG2 )) ( segid " " and resid 33 and name HD% ) 4.200 2.200 1.300 peak 1333 weight 0.10000E+01 volume 0.15070E+05 ppm1 1.367 ppm2 6.828 ASSI { 1335} (( segid " " and resid 31 and name HZ )) ( segid " " and resid 29 and name HD% ) 2.700 0.900 0.900 peak 1335 weight 0.10000E+01 volume 0.25080E+06 ppm1 5.876 ppm2 6.739 ASSI { 1339} (( segid " " and resid 39 and name HB3 )) ( segid " " and resid 39 and name HD% ) 3.400 1.400 1.400 peak 1339 weight 0.10000E+01 volume 0.61440E+05 ppm1 2.568 ppm2 6.687 ASSI { 1341} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HD2 )) 3.200 1.300 1.300 peak 1341 weight 0.10000E+01 volume 0.78720E+05 ppm1 4.059 ppm2 6.559 ASSI { 1342} (( segid " " and resid 73 and name HB )) (( segid " " and resid 67 and name HD2 )) 3.400 1.400 1.400 peak 1342 weight 0.10000E+01 volume 0.62210E+05 ppm1 3.836 ppm2 6.551 ASSI { 1343} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) 3.200 1.300 1.300 peak 1343 weight 0.10000E+01 volume 0.84910E+05 ppm1 3.555 ppm2 6.567 ASSI { 1344} (( segid " " and resid 32 and name HG )) (( segid " " and resid 103 and name HZ2 )) 3.400 1.400 1.400 peak 1344 weight 0.10000E+01 volume 0.62460E+05 ppm1 0.716 ppm2 5.834 ASSI { 1345} ( segid " " and resid 30 and name HG1%) ( segid " " and resid 86 and name HD% ) 3.100 3.100 2.400 peak 1345 weight 0.10000E+01 volume 0.10590E+06 ppm1 0.049 ppm2 6.121 OR { 1345} ( segid " " and resid 30 and name HG2%) ( segid " " and resid 86 and name HD% ) ASSI { 1347} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 103 and name HZ3 )) 3.300 1.400 1.400 peak 1347 weight 0.10000E+01 volume 0.72160E+05 ppm1 0.813 ppm2 6.442 ASSI { 1348} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 103 and name HH2 )) 3.000 3.000 2.500 peak 1348 weight 0.10000E+01 volume 0.11250E+06 ppm1 0.992 ppm2 6.321 ASSI { 1349} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 19 and name HE3 )) 3.600 1.600 1.600 peak 1349 weight 0.10000E+01 volume 0.40210E+05 ppm1 1.861 ppm2 7.541 ASSI { 1354} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 62 and name HE% ) 2.900 1.100 1.100 peak 1354 weight 0.10000E+01 volume 0.15290E+06 ppm1 1.282 ppm2 6.643 ASSI { 1356} (( segid " " and resid 64 and name HB )) ( segid " " and resid 62 and name HE% ) 3.200 3.200 2.300 peak 1356 weight 0.10000E+01 volume 0.84910E+05 ppm1 1.635 ppm2 6.644 ASSI { 1359} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 31 and name HZ )) 2.900 2.900 2.600 peak 1359 weight 0.10000E+01 volume 0.14940E+06 ppm1 6.750 ppm2 5.875 ASSI { 1363} (( segid " " and resid 31 and name HA )) (( segid " " and resid 103 and name HZ3 )) 2.900 2.900 2.600 peak 1363 weight 0.10000E+01 volume 0.15490E+06 ppm1 4.918 ppm2 6.447 ASSI { 1365} (( segid " " and resid 38 and name HA )) ( segid " " and resid 39 and name HD% ) 3.400 1.400 1.400 peak 1365 weight 0.10000E+01 volume 0.53120E+05 ppm1 5.013 ppm2 6.687 ASSI { 1366} (( segid " " and resid 38 and name HA )) (( segid " " and resid 56 and name HA )) 2.400 0.700 0.700 peak 1366 weight 0.10000E+01 volume 0.49120E+06 ppm1 5.030 ppm2 5.566 ASSI { 1370} (( segid " " and resid 20 and name HA )) (( segid " " and resid 86 and name HA )) 2.700 0.900 0.900 peak 1370 weight 0.10000E+01 volume 0.21410E+06 ppm1 4.413 ppm2 5.740 ASSI { 1375} (( segid " " and resid 32 and name HG )) (( segid " " and resid 103 and name HH2 )) 2.800 1.000 1.000 peak 1375 weight 0.10000E+01 volume 0.16770E+06 ppm1 0.721 ppm2 6.309 ASSI { 1377} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HE% ) 2.600 2.600 2.900 peak 1377 weight 0.10000E+01 volume 0.29410E+06 ppm1 2.789 ppm2 6.967 ASSI { 1378} (( segid " " and resid 39 and name HB3 )) ( segid " " and resid 31 and name HD% ) 2.600 2.600 2.900 peak 1378 weight 0.10000E+01 volume 0.29070E+06 ppm1 2.575 ppm2 6.951 ASSI { 1379} ( segid " " and resid 86 and name HE% ) ( segid " " and resid 39 and name HD% ) 2.100 2.100 3.400 peak 1379 weight 0.10000E+01 volume 0.11440E+07 ppm1 6.134 ppm2 6.696 ASSI { 1383} (( segid " " and resid 13 and name HB3 )) ( segid " " and resid 33 and name HE% ) 3.200 1.300 1.300 peak 1383 weight 0.10000E+01 volume 0.84560E+05 ppm1 1.941 ppm2 6.809 ASSI { 1386} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 19 and name HD1 )) 3.300 3.300 2.200 peak 1386 weight 0.10000E+01 volume 0.65790E+05 ppm1 -0.440 ppm2 7.243 ASSI { 1388} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HD2 )) 3.600 1.600 1.600 peak 1388 weight 0.10000E+01 volume 0.40150E+05 ppm1 2.005 ppm2 6.316 ASSI { 1389} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 13 and name HD2 )) 3.500 1.500 1.500 peak 1389 weight 0.10000E+01 volume 0.48160E+05 ppm1 1.557 ppm2 6.327 ASSI { 1390} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 103 and name HE3 )) 3.000 3.000 2.500 peak 1390 weight 0.10000E+01 volume 0.11290E+06 ppm1 2.111 ppm2 6.991 ASSI { 1395} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD% ) 2.600 0.800 0.800 peak 1395 weight 0.10000E+01 volume 0.31040E+06 ppm1 4.547 ppm2 6.665 ASSI { 1401} (( segid " " and resid 33 and name HZ )) ( segid " " and resid 33 and name HD% ) 5.500 3.800 0.000 peak 1401 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.480 ppm2 6.830 !!! ambiguous restraints ASSI { 143} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 59 and name HG )) 3.100 1.200 1.200 peak 143 weight 0.10000E+01 volume 0.13850E+06 ppm1 1.947 ppm2 0.711 OR { 143} (( segid " " and resid 110 and name HB3 )) ( segid " " and resid 107 and name HG2%) OR { 143} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 59 and name HG )) OR { 143} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 59 and name HG )) OR { 143} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 59 and name HG )) ASSI { 382} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 79 and name HB3 )) 2.200 2.200 3.300 peak 382 weight 0.10000E+01 volume 0.97890E+06 ppm1 2.558 ppm2 1.856 OR { 382} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 77 and name HB3 )) OR { 382} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 79 and name HB3 )) OR { 382} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 77 and name HB3 )) ASSI { 700} (( segid " " and resid 18 and name HB )) (( segid " " and resid 89 and name HE2 )) 2.700 2.700 2.800 peak 700 weight 0.10000E+01 volume 0.28680E+06 ppm1 1.785 ppm2 2.568 OR { 700} (( segid " " and resid 18 and name HB )) (( segid " " and resid 16 and name HB2 )) OR { 700} (( segid " " and resid 18 and name HB )) (( segid " " and resid 89 and name HE3 )) ASSI { 729} (( segid " " and resid 30 and name HB )) ( segid " " and resid 16 and name HD% ) 2.600 0.800 0.800 peak 729 weight 0.10000E+01 volume 0.41360E+06 ppm1 1.563 ppm2 6.321 OR { 729} (( segid " " and resid 30 and name HB )) (( segid " " and resid 103 and name HH2 )) ASSI { 1211} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD1%) 2.700 0.900 0.900 peak 1211 weight 0.10000E+01 volume 0.33840E+06 ppm1 4.602 ppm2 0.674 OR { 1211} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 1402} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 107 and name HG12)) 1.200 1.200 4.300 peak 1402 weight 0.10000E+01 volume 0.39610E+08 ppm1 1.873 ppm2 1.871 OR { 1402} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 107 and name HG12)) OR { 1402} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 107 and name HG13)) OR { 1402} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 107 and name HG13)) OR { 1402} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 75 and name HB )) ASSI { 1441} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 17 and name HG2 )) 2.900 2.900 2.600 peak 1441 weight 0.10000E+01 volume 0.20210E+06 ppm1 0.614 ppm2 1.797 OR { 1441} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 18 and name HB )) OR { 1441} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 17 and name HG3 )) ASSI { 1485} (( segid " " and resid 20 and name HA )) (( segid " " and resid 87 and name HD3 )) 2.800 2.800 2.700 peak 1485 weight 0.10000E+01 volume 0.24750E+06 ppm1 4.444 ppm2 2.673 OR { 1485} (( segid " " and resid 20 and name HA )) (( segid " " and resid 87 and name HD2 )) OR { 1485} (( segid " " and resid 20 and name HA )) (( segid " " and resid 41 and name HG2 )) ASSI { 1560} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HA )) 1.900 1.900 3.600 peak 1560 weight 0.10000E+01 volume 0.23110E+07 ppm1 0.974 ppm2 3.934 OR { 1560} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 71 and name HA )) ASSI { 195} (( segid " " and resid 79 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.400 1.400 1.400 peak 195 weight 0.10000E+01 volume 0.55920E+06 ppm1 8.296 ppm2 2.560 OR { 195} (( segid " " and resid 79 and name HN )) (( segid " " and resid 63 and name HB3 )) OR { 195} (( segid " " and resid 86 and name HN )) (( segid " " and resid 77 and name HG2 )) OR { 195} (( segid " " and resid 86 and name HN )) (( segid " " and resid 77 and name HG3 )) ASSI { 197} (( segid " " and resid 79 and name HN )) (( segid " " and resid 83 and name HB3 )) 4.700 2.800 0.800 peak 197 weight 0.10000E+01 volume 0.82690E+05 ppm1 8.296 ppm2 1.352 OR { 197} (( segid " " and resid 79 and name HN )) (( segid " " and resid 61 and name HG3 )) ASSI { 209} (( segid " " and resid 14 and name HN )) ( segid " " and resid 31 and name HE% ) 3.000 3.000 2.500 peak 209 weight 0.10000E+01 volume 0.12490E+07 ppm1 8.356 ppm2 6.966 OR { 209} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HN )) ASSI { 383} (( segid " " and resid 77 and name HN )) (( segid " " and resid 65 and name HG2 )) 2.900 1.100 1.100 peak 383 weight 0.10000E+01 volume 0.15460E+07 ppm1 8.874 ppm2 1.373 OR { 383} (( segid " " and resid 77 and name HN )) (( segid " " and resid 64 and name HG13)) ASSI { 449} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD2 )) 3.300 1.400 1.400 peak 449 weight 0.10000E+01 volume 0.68880E+06 ppm1 7.624 ppm2 6.315 OR { 449} (( segid " " and resid 13 and name HN )) (( segid " " and resid 103 and name HH2 )) ASSI { 230} ( segid " " and resid 102 and name HB% ) (( segid " " and resid 103 and name HD1 )) 2.900 1.100 1.100 peak 230 weight 0.10000E+01 volume 0.13970E+06 ppm1 1.062 ppm2 7.793 OR { 230} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 103 and name HD1 )) ASSI { 340} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 31 and name HE% ) 2.900 1.100 1.100 peak 340 weight 0.10000E+01 volume 0.14810E+06 ppm1 2.154 ppm2 6.956 OR { 340} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 114 and name HD% ) ASSI { 351} (( segid " " and resid 61 and name HB3 )) ( segid " " and resid 62 and name HD% ) 2.200 2.200 3.300 peak 351 weight 0.10000E+01 volume 0.71190E+06 ppm1 1.825 ppm2 6.914 OR { 351} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 62 and name HD% ) OR { 351} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 62 and name HD% ) OR { 351} (( segid " " and resid 107 and name HG13)) ( segid " " and resid 62 and name HD% ) OR { 351} (( segid " " and resid 107 and name HG12)) ( segid " " and resid 62 and name HD% ) ASSI { 369} (( segid " " and resid 11 and name HB )) ( segid " " and resid 33 and name HD% ) 2.700 0.900 0.900 peak 369 weight 0.10000E+01 volume 0.23050E+06 ppm1 1.046 ppm2 6.836 OR { 369} ( segid " " and resid 40 and name HG2%) ( segid " " and resid 51 and name HD% ) OR { 369} ( segid " " and resid 40 and name HG2%) ( segid " " and resid 31 and name HD% ) ASSI { 391} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 29 and name HE% ) 2.400 2.400 3.100 peak 391 weight 0.10000E+01 volume 0.49000E+06 ppm1 1.540 ppm2 6.756 OR { 391} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 29 and name HE% ) ASSI { 416} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 39 and name HD% ) 3.800 1.800 1.700 peak 416 weight 0.10000E+01 volume 0.29180E+05 ppm1 2.183 ppm2 6.675 OR { 416} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 54 and name HD% ) ASSI { 428} (( segid " " and resid 41 and name HG2 )) ( segid " " and resid 39 and name HE% ) 2.300 2.300 3.200 peak 428 weight 0.10000E+01 volume 0.52780E+06 ppm1 2.669 ppm2 6.622 OR { 428} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 39 and name HE% ) OR { 428} (( segid " " and resid 86 and name HB3 )) ( segid " " and resid 39 and name HE% ) OR { 428} (( segid " " and resid 41 and name HG3 )) ( segid " " and resid 39 and name HE% ) ASSI { 461} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 103 and name HH2 )) 2.600 0.800 0.800 peak 461 weight 0.10000E+01 volume 0.28600E+06 ppm1 0.786 ppm2 6.320 OR { 461} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 103 and name HH2 )) OR { 461} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 103 and name HH2 )) OR { 461} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 103 and name HH2 )) ASSI { 475} ( segid " " and resid 88 and name HG2%) (( segid " " and resid 88 and name HA )) 2.600 0.800 0.800 peak 475 weight 0.10000E+01 volume 0.26160E+06 ppm1 0.601 ppm2 5.933 OR { 475} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 88 and name HA )) ASSI { 1244} (( segid " " and resid 103 and name HE3 )) (( segid " " and resid 103 and name HZ2 )) 3.600 1.600 1.600 peak 1244 weight 0.10000E+01 volume 0.41100E+05 ppm1 7.003 ppm2 5.829 OR { 1244} (( segid " " and resid 12 and name HN )) (( segid " " and resid 103 and name HZ2 )) ASSI { 1280} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 29 and name HD% ) 3.100 3.100 2.400 peak 1280 weight 0.10000E+01 volume 0.98720E+05 ppm1 6.834 ppm2 6.601 OR { 1280} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 39 and name HE% ) ASSI { 1307} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HN )) 3.500 1.500 1.500 peak 1307 weight 0.10000E+01 volume 0.48760E+05 ppm1 1.644 ppm2 8.820 OR { 1307} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 1331} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 19 and name HH2 )) 2.900 2.900 2.600 peak 1331 weight 0.10000E+01 volume 0.15750E+06 ppm1 1.264 ppm2 6.748 OR { 1331} (( segid " " and resid 17 and name HB3 )) ( segid " " and resid 29 and name HE% ) ASSI { 1337} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HA )) 2.800 2.800 2.700 peak 1337 weight 0.10000E+01 volume 0.18840E+06 ppm1 7.006 ppm2 5.569 OR { 1337} (( segid " " and resid 103 and name HE3 )) (( segid " " and resid 13 and name HA )) ASSI { 1338} (( segid " " and resid 103 and name HZ3 )) (( segid " " and resid 13 and name HA )) 3.500 1.500 1.500 peak 1338 weight 0.10000E+01 volume 0.47400E+05 ppm1 6.467 ppm2 5.576 OR { 1338} (( segid " " and resid 33 and name HZ )) (( segid " " and resid 13 and name HA )) ASSI { 1355} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 19 and name HZ3 )) 3.200 1.300 1.300 peak 1355 weight 0.10000E+01 volume 0.78100E+05 ppm1 1.339 ppm2 6.661 OR { 1355} (( segid " " and resid 59 and name HB3 )) ( segid " " and resid 62 and name HE% ) OR { 1355} (( segid " " and resid 87 and name HB3 )) ( segid " " and resid 86 and name HD% ) OR { 1355} (( segid " " and resid 88 and name HB )) ( segid " " and resid 86 and name HD% ) ASSI { 1364} (( segid " " and resid 41 and name HA )) ( segid " " and resid 39 and name HE% ) 3.300 1.400 1.400 peak 1364 weight 0.10000E+01 volume 0.71580E+05 ppm1 4.905 ppm2 6.605 OR { 1364} (( segid " " and resid 41 and name HA )) ( segid " " and resid 29 and name HD% ) ASSI { 1382} (( segid " " and resid 32 and name HA )) (( segid " " and resid 103 and name HH2 )) 3.500 1.500 1.500 peak 1382 weight 0.10000E+01 volume 0.48360E+05 ppm1 4.818 ppm2 6.332 OR { 1382} (( segid " " and resid 18 and name HA )) ( segid " " and resid 16 and name HD% ) OR { 1382} (( segid " " and resid 37 and name HA )) (( segid " " and resid 103 and name HH2 )) ASSI { 1397} (( segid " " and resid 20 and name HA )) ( segid " " and resid 39 and name HE% ) 5.500 3.800 0.000 peak 1397 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.419 ppm2 6.618 OR { 1397} (( segid " " and resid 54 and name HA )) ( segid " " and resid 39 and name HE% ) !!! hydrogen bond restraints !Sheet 1 (strand 1 to 4) assi (resid 12 and name HN) (resid 32 and name O) 1.95 0.25 0.25 assi (resid 32 and name HN) (resid 12 and name O) 1.95 0.25 0.25 assi (resid 14 and name HN) (resid 30 and name O) 1.95 0.25 0.25 assi (resid 30 and name HN) (resid 14 and name O) 1.95 0.25 0.25 assi (resid 16 and name HN) (resid 28 and name O) 1.95 0.25 0.25 assi (resid 28 and name HN) (resid 16 and name O) 1.95 0.25 0.25 assi (resid 18 and name HN) (resid 26 and name O) 1.95 0.25 0.25 assi (resid 26 and name HN) (resid 18 and name O) 1.95 0.25 0.25 assi (resid 27 and name HN) (resid 42 and name O) 1.95 0.25 0.25 assi (resid 42 and name HN) (resid 27 and name O) 1.95 0.25 0.25 assi (resid 29 and name HN) (resid 40 and name O) 1.95 0.25 0.25 assi (resid 40 and name HN) (resid 29 and name O) 1.95 0.25 0.25 assi (resid 31 and name HN) (resid 38 and name O) 1.95 0.25 0.25 assi (resid 38 and name HN) (resid 31 and name O) 1.95 0.25 0.25 assi (resid 33 and name HN) (resid 36 and name O) 1.95 0.25 0.25 assi (resid 36 and name HN) (resid 33 and name O) 1.95 0.25 0.25 assi (resid 37 and name HN) (resid 57 and name O) 1.95 0.25 0.25 assi (resid 57 and name HN) (resid 37 and name O) 1.95 0.25 0.25 !Sheet 2 (strand 5-7) assi (resid 63 and name HN) (resid 77 and name O) 1.95 0.25 0.25 assi (resid 77 and name HN) (resid 63 and name O) 1.95 0.25 0.25 assi (resid 65 and name HN) (resid 75 and name O) 1.95 0.25 0.25 assi (resid 75 and name HN) (resid 65 and name O) 1.95 0.25 0.25 assi (resid 67 and name HN) (resid 73 and name O) 1.95 0.25 0.25 assi (resid 73 and name HN) (resid 67 and name O) 1.95 0.25 0.25 assi (resid 74 and name HN) (resid 88 and name O) 1.95 0.25 0.25 assi (resid 88 and name HN) (resid 74 and name O) 1.95 0.25 0.25 assi (resid 76 and name HN) (resid 86 and name O) 1.95 0.25 0.25 assi (resid 86 and name HN) (resid 76 and name O) 1.95 0.25 0.25 ! Donor-Acceptor !Sheet 1 (strand 1 to 4) assi (resid 12 and name N) (resid 32 and name O) 2.95 0.25 0.25 assi (resid 32 and name N) (resid 12 and name O) 2.95 0.25 0.25 assi (resid 14 and name N) (resid 30 and name O) 2.95 0.25 0.25 assi (resid 30 and name N) (resid 14 and name O) 2.95 0.25 0.25 assi (resid 16 and name N) (resid 28 and name O) 2.95 0.25 0.25 assi (resid 28 and name N) (resid 16 and name O) 2.95 0.25 0.25 assi (resid 18 and name N) (resid 26 and name O) 2.95 0.25 0.25 assi (resid 26 and name N) (resid 18 and name O) 2.95 0.25 0.25 assi (resid 27 and name N) (resid 42 and name O) 2.95 0.25 0.25 assi (resid 42 and name N) (resid 27 and name O) 2.95 0.25 0.25 assi (resid 29 and name N) (resid 40 and name O) 2.95 0.25 0.25 assi (resid 40 and name N) (resid 29 and name O) 2.95 0.25 0.25 assi (resid 31 and name N) (resid 38 and name O) 2.95 0.25 0.25 assi (resid 38 and name N) (resid 31 and name O) 2.95 0.25 0.25 assi (resid 33 and name N) (resid 36 and name O) 2.95 0.25 0.25 assi (resid 36 and name N) (resid 33 and name O) 2.95 0.25 0.25 assi (resid 37 and name N) (resid 57 and name O) 2.95 0.25 0.25 assi (resid 57 and name N) (resid 37 and name O) 2.95 0.25 0.25 !Sheet 2 (strand 5-7) assi (resid 63 and name N) (resid 77 and name O) 2.95 0.25 0.25 assi (resid 77 and name N) (resid 63 and name O) 2.95 0.25 0.25 assi (resid 65 and name N) (resid 75 and name O) 2.95 0.25 0.25 assi (resid 75 and name N) (resid 65 and name O) 2.95 0.25 0.25 assi (resid 67 and name N) (resid 73 and name O) 2.95 0.25 0.25 assi (resid 73 and name N) (resid 67 and name O) 2.95 0.25 0.25 assi (resid 74 and name N) (resid 88 and name O) 2.95 0.25 0.25 assi (resid 88 and name N) (resid 74 and name O) 2.95 0.25 0.25 assi (resid 76 and name N) (resid 86 and name O) 2.95 0.25 0.25 assi (resid 86 and name N) (resid 76 and name O) 2.95 0.25 0.25
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