NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20185 |
2fb7   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 45 and name HB ))
(( segid " " and resid 45 and name HA ))
2.400 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.997 ppm2 5.200 CV 1
ASSI { 3}
(( segid " " and resid 45 and name HB ))
(( segid " " and resid 46 and name HN ))
2.400 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.993 ppm2 8.912 CV 1
ASSI { 5}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 39 and name HG12))
3.100 3.100 2.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.973 ppm2 1.001 CV 1
ASSI { 7}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 86 and name HA ))
2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.936 ppm2 4.675 CV 1
ASSI { 10}
(( segid " " and resid 38 and name HB ))
( segid " " and resid 47 and name HB% )
2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.959 ppm2 1.373 CV 1
ASSI { 19}
(( segid " " and resid 71 and name HB ))
( segid " " and resid 71 and name HG2%)
2.500 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.842 ppm2 0.930 CV 1
ASSI { 20}
(( segid " " and resid 71 and name HB ))
(( segid " " and resid 71 and name HA ))
2.600 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.840 ppm2 4.585 CV 1
ASSI { 21}
(( segid " " and resid 71 and name HB ))
(( segid " " and resid 70 and name HA ))
2.900 2.900 3.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.833 ppm2 4.123 CV 1
ASSI { 35}
(( segid " " and resid 15 and name HB ))
( segid " " and resid 15 and name HG2%)
2.600 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.097 ppm2 1.184 CV 1
ASSI { 41}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 56 and name HA ))
2.600 2.600 3.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.299 ppm2 4.793 CV 1
ASSI { 43}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 56 and name HG2%)
2.200 2.200 3.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.299 ppm2 1.228 CV 1
ASSI { 47}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HA ))
2.600 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.293 ppm2 4.535 CV 1
ASSI { 48}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HG2%)
2.500 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.296 ppm2 0.960 CV 1
ASSI { 58}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HA ))
2.600 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.017 ppm2 5.219 CV 1
ASSI { 73}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 9 and name HB2 ))
3.100 3.100 2.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.288 ppm2 1.951 CV 1
OR { 73}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 74}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 46 and name HG2%)
2.900 2.900 3.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.286 ppm2 0.725 CV 1
OR { 74}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 46 and name HG1%)
ASSI { 79}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.200 2.200 3.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.809 ppm2 3.930 CV 1
OR { 79}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 82}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.347 ppm2 7.740 CV 1
ASSI { 84}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 65 and name HB ))
2.900 2.900 3.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.294 ppm2 1.719 CV 1
ASSI { 87}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.914 ppm2 8.424 CV 1
OR { 87}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
ASSI { 92}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.600 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.556 ppm2 9.307 CV 1
ASSI { 94}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD1%)
2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.556 ppm2 0.828 CV 1
ASSI { 96}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HG2 ))
2.900 2.900 3.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.820 ppm2 2.197 CV 1
ASSI { 98}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 94 and name HN ))
2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.415 ppm2 8.239 CV 1
ASSI { 101}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HG12))
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.356 ppm2 1.503 CV 1
OR { 101}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HG11))
ASSI { 102}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 56 and name HG2%)
2.600 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.359 ppm2 1.218 CV 1
ASSI { 103}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 61 and name HG2%)
3.000 3.000 3.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.358 ppm2 0.964 CV 1
ASSI { 104}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 63 and name HN ))
3.200 3.200 2.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.349 ppm2 8.351 CV 1
ASSI { 105}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB1 ))
2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.349 ppm2 2.176 CV 1
ASSI { 108}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 22 and name HA ))
2.600 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.172 ppm2 4.994 CV 1
ASSI { 110}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HN ))
2.500 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.020 ppm2 7.546 CV 1
ASSI { 111}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 16 and name HB1 ))
2.500 2.500 3.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.022 ppm2 2.235 CV 1
ASSI { 112}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HG1 ))
3.300 1.400 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.018 ppm2 1.918 CV 1
ASSI { 113}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 83 and name HN ))
2.200 0.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.764 ppm2 9.170 CV 1
ASSI { 114}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB ))
2.400 0.700 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.763 ppm2 1.881 CV 1
OR { 114}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HG11))
ASSI { 115}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HG2%)
2.500 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.759 ppm2 0.587 CV 1
OR { 115}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HD1%)
ASSI { 116}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.757 ppm2 5.231 CV 1
ASSI { 120}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 22 and name HG2%)
2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.173 ppm2 0.787 CV 1
ASSI { 131}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.500 0.800 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.430 ppm2 8.416 CV 1
ASSI { 132}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB ))
2.600 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.431 ppm2 3.953 CV 1
ASSI { 133}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 39 and name HD1%)
2.900 2.900 3.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.431 ppm2 0.836 CV 1
ASSI { 134}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HN ))
2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.107 ppm2 8.267 CV 1
ASSI { 135}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 95 and name HN ))
2.600 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.107 ppm2 7.907 CV 1
ASSI { 137}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB ))
2.600 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.108 ppm2 1.852 CV 1
ASSI { 138}
(( segid " " and resid 94 and name HA ))
( segid " " and resid 94 and name HD1%)
3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.107 ppm2 0.905 CV 1
ASSI { 139}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HN ))
2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.929 ppm2 8.031 CV 1
ASSI { 140}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HG2%)
2.900 1.000 1.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.916 ppm2 -0.170 CV 1
ASSI { 145}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 34 and name HA2 ))
3.200 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.921 ppm2 3.792 CV 1
ASSI { 146}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG2%)
2.500 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.923 ppm2 1.136 CV 1
ASSI { 147}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
2.300 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.914 ppm2 9.117 CV 1
ASSI { 148}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG1%)
2.800 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.913 ppm2 0.821 CV 1
ASSI { 151}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 85 and name HA ))
3.000 3.000 3.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.679 ppm2 4.929 CV 1
ASSI { 152}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 87 and name HN ))
2.500 0.800 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.655 ppm2 8.726 CV 1
ASSI { 156}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 71 and name HG2%)
2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.582 ppm2 0.898 CV 1
ASSI { 158}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB ))
2.600 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.520 ppm2 1.753 CV 1
ASSI { 162}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG2 ))
2.800 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.812 ppm2 2.273 CV 1
OR { 162}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG1 ))
ASSI { 163}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB2 ))
2.600 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.815 ppm2 2.010 CV 1
OR { 163}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB1 ))
ASSI { 169}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 36 and name HD1%)
3.000 3.000 3.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.832 ppm2 0.790 CV 1
ASSI { 172}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 56 and name HA ))
2.800 2.800 3.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.521 ppm2 4.812 CV 1
ASSI { 175}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HG12))
2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.513 ppm2 1.430 CV 1
OR { 175}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HG11))
ASSI { 176}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HN ))
2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.507 ppm2 9.307 CV 1
ASSI { 177}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 47 and name HA ))
2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.506 ppm2 5.470 CV 1
ASSI { 179}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.400 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.695 ppm2 7.567 CV 1
ASSI { 182}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HG2%)
2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.700 ppm2 0.227 CV 1
ASSI { 185}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.196 ppm2 8.917 CV 1
ASSI { 188}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 45 and name HG2%)
2.500 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.196 ppm2 1.007 CV 1
ASSI { 189}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 46 and name HG2%)
2.700 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.194 ppm2 0.726 CV 1
OR { 189}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 46 and name HG1%)
ASSI { 190}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HG2%)
2.400 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.153 ppm2 0.903 CV 1
ASSI { 191}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.300 0.600 0.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.149 ppm2 9.520 CV 1
ASSI { 192}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 31 and name HA ))
2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.147 ppm2 5.560 CV 1
ASSI { 195}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.430 ppm2 8.707 CV 1
ASSI { 196}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.430 ppm2 3.871 CV 1
OR { 196}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
ASSI { 199}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 89 and name HN ))
2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.405 ppm2 8.151 CV 1
ASSI { 200}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB1 ))
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.404 ppm2 2.919 CV 1
ASSI { 201}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB2 ))
2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.404 ppm2 2.549 CV 1
ASSI { 205}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.600 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.321 ppm2 3.930 CV 1
OR { 205}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 206}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB1 ))
2.600 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.218 ppm2 3.904 CV 1
OR { 206}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB2 ))
ASSI { 215}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 52 and name HN ))
3.100 3.100 2.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.668 ppm2 9.131 CV 1
ASSI { 216}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
2.400 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.390 ppm2 8.635 CV 1
ASSI { 219}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 65 and name HG2%)
2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.382 ppm2 1.042 CV 1
ASSI { 220}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB ))
2.600 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.377 ppm2 1.746 CV 1
ASSI { 221}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
2.600 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.177 ppm2 8.399 CV 1
ASSI { 222}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
2.600 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.176 ppm2 2.092 CV 1
OR { 222}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB1 ))
ASSI { 225}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB1 ))
2.300 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.035 ppm2 1.981 CV 1
OR { 225}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 233}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HB2 ))
3.400 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.673 ppm2 1.363 CV 1
ASSI { 234}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG2%)
2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.673 ppm2 0.817 CV 1
OR { 234}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HD1%)
ASSI { 235}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB1 ))
2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.357 ppm2 3.367 CV 1
ASSI { 236}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB2 ))
2.800 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.356 ppm2 2.514 CV 1
ASSI { 241}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.500 2.500 3.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.066 ppm2 7.753 CV 1
ASSI { 246}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.995 ppm2 8.671 CV 1
ASSI { 247}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB ))
2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.991 ppm2 1.884 CV 1
ASSI { 248}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HG2%)
2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.993 ppm2 0.766 CV 1
ASSI { 253}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.757 ppm2 9.083 CV 1
ASSI { 255}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB2 ))
2.600 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.753 ppm2 2.180 CV 1
OR { 255}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB1 ))
OR { 255}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HG2 ))
ASSI { 256}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HN ))
2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.479 ppm2 8.656 CV 1
ASSI { 258}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 49 and name HA ))
2.800 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.483 ppm2 5.211 CV 1
ASSI { 261}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB2 ))
2.800 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.323 ppm2 1.534 CV 1
OR { 261}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HD2 ))
ASSI { 262}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB1 ))
2.500 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.324 ppm2 1.294 CV 1
OR { 262}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HG1 ))
ASSI { 263}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HN ))
2.600 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.289 ppm2 7.894 CV 1
ASSI { 272}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.500 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.689 ppm2 1.758 CV 1
OR { 272}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
ASSI { 273}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
2.500 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.690 ppm2 1.367 CV 1
OR { 273}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG1 ))
ASSI { 276}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HN ))
2.400 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.621 ppm2 9.032 CV 1
ASSI { 277}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HB1 ))
2.400 0.700 0.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.616 ppm2 2.690 CV 1
ASSI { 279}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.599 ppm2 8.317 CV 1
ASSI { 280}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 77 and name HD% )
2.500 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.605 ppm2 6.957 CV 1
ASSI { 281}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.300 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.347 ppm2 9.208 CV 1
ASSI { 283}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HD1%)
2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.351 ppm2 0.794 CV 1
ASSI { 284}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HB2 ))
2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.279 ppm2 2.087 CV 1
ASSI { 285}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.210 ppm2 8.147 CV 1
ASSI { 287}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.600 0.800 0.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.214 ppm2 1.960 CV 1
OR { 287}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 288}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 25 and name HG2%)
2.300 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.191 ppm2 0.879 CV 1
ASSI { 289}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HN ))
2.600 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.120 ppm2 8.187 CV 1
ASSI { 290}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HG1 ))
2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.121 ppm2 1.901 CV 1
OR { 290}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HG2 ))
ASSI { 291}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB1 ))
2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.120 ppm2 1.601 CV 1
OR { 291}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
ASSI { 293}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB1 ))
2.400 0.700 0.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.630 ppm2 2.090 CV 1
ASSI { 294}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
2.300 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.628 ppm2 8.075 CV 1
ASSI { 295}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.622 ppm2 1.654 CV 1
ASSI { 296}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG1 ))
2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.622 ppm2 1.412 CV 1
ASSI { 297}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 71 and name HG2%)
2.600 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.622 ppm2 0.920 CV 1
ASSI { 298}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
2.500 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.619 ppm2 8.709 CV 1
ASSI { 300}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB1 ))
2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.828 ppm2 2.820 CV 1
ASSI { 301}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.822 ppm2 9.034 CV 1
ASSI { 304}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.513 ppm2 9.434 CV 1
ASSI { 305}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 33 and name HA ))
2.300 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.516 ppm2 5.908 CV 1
ASSI { 307}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
2.500 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.933 ppm2 9.406 CV 1
ASSI { 309}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HD2%)
2.900 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.906 ppm2 0.713 CV 1
OR { 309}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HD1%)
ASSI { 311}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB1 ))
2.300 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.640 ppm2 1.984 CV 1
ASSI { 312}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 45 and name HG2%)
2.400 0.700 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.632 ppm2 1.013 CV 1
ASSI { 319}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 22 and name HG12))
3.000 3.000 3.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.918 ppm2 1.421 CV 1
ASSI { 321}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB2 ))
2.600 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.636 ppm2 1.736 CV 1
ASSI { 323}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 70 and name HN ))
2.700 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.485 ppm2 8.088 CV 1
ASSI { 325}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
2.700 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.485 ppm2 2.634 CV 1
OR { 325}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB1 ))
ASSI { 327}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HD1 ))
2.300 0.700 0.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.353 ppm2 3.868 CV 1
ASSI { 328}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HD2 ))
2.800 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.353 ppm2 3.557 CV 1
ASSI { 329}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.350 ppm2 2.324 CV 1
ASSI { 330}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB1 ))
2.300 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.351 ppm2 1.592 CV 1
ASSI { 334}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB1 ))
2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.934 ppm2 3.188 CV 1
ASSI { 335}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB2 ))
2.800 1.000 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.937 ppm2 2.911 CV 1
ASSI { 346}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB1 ))
2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.266 ppm2 1.459 CV 1
OR { 346}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 347}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD1%)
2.800 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.265 ppm2 0.696 CV 1
OR { 347}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD2%)
ASSI { 352}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.400 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.914 ppm2 8.600 CV 1
ASSI { 354}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
2.500 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.914 ppm2 2.171 CV 1
OR { 354}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB1 ))
ASSI { 358}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG2 ))
2.600 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.549 ppm2 1.359 CV 1
OR { 358}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG1 ))
ASSI { 359}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
2.300 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.131 ppm2 8.903 CV 1
ASSI { 361}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB1 ))
2.400 0.700 0.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.133 ppm2 1.350 CV 1
OR { 361}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 362}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 85 and name HD2%)
2.800 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.132 ppm2 0.713 CV 1
OR { 362}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 85 and name HD1%)
ASSI { 363}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 34 and name HA2 ))
2.900 2.900 3.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.029 ppm2 3.765 CV 1
ASSI { 364}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
2.500 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.015 ppm2 9.784 CV 1
ASSI { 366}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB1 ))
2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.016 ppm2 1.619 CV 1
OR { 366}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HG1 ))
OR { 366}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB2 ))
ASSI { 370}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 91 and name HD2 ))
2.900 2.900 3.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.686 ppm2 3.728 CV 1
ASSI { 371}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HG1 ))
2.900 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.684 ppm2 2.298 CV 1
OR { 371}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HG2 ))
ASSI { 372}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HB2 ))
2.400 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.683 ppm2 2.032 CV 1
ASSI { 374}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 95 and name HA ))
2.700 2.700 3.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.574 ppm2 4.280 CV 1
ASSI { 375}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HN ))
2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.571 ppm2 8.274 CV 1
ASSI { 378}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 93 and name HD1 ))
2.600 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.569 ppm2 3.827 CV 1
ASSI { 379}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 93 and name HD2 ))
2.300 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.569 ppm2 3.630 CV 1
ASSI { 380}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB2 ))
2.600 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.570 ppm2 1.766 CV 1
ASSI { 381}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HG1 ))
2.600 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.569 ppm2 1.497 CV 1
ASSI { 387}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB1 ))
2.600 0.800 0.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.430 ppm2 1.660 CV 1
ASSI { 388}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 49 and name HB% )
3.100 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.432 ppm2 1.292 CV 1
ASSI { 389}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 48 and name HD1%)
2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.427 ppm2 0.694 CV 1
ASSI { 393}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB1 ))
2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.990 ppm2 3.319 CV 1
ASSI { 396}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
2.700 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.980 ppm2 2.364 CV 1
ASSI { 400}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HB% )
2.600 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.476 ppm2 1.410 CV 1
ASSI { 411}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HB1 ))
3.300 3.300 2.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.671 ppm2 2.105 CV 1
ASSI { 412}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 66 and name HB% )
2.500 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.667 ppm2 1.442 CV 1
ASSI { 423}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 47 and name HB% )
2.400 0.700 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.483 ppm2 1.364 CV 1
ASSI { 424}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 76 and name HD1%)
2.500 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.482 ppm2 0.742 CV 1
OR { 424}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 76 and name HG2%)
ASSI { 433}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 49 and name HB% )
2.400 0.700 0.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.219 ppm2 1.267 CV 1
ASSI { 434}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
2.200 0.600 0.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.221 ppm2 8.051 CV 1
ASSI { 442}
(( segid " " and resid 79 and name HA2 ))
(( segid " " and resid 79 and name HN ))
2.300 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.958 ppm2 8.847 CV 1
ASSI { 444}
(( segid " " and resid 79 and name HA2 ))
(( segid " " and resid 79 and name HA1 ))
2.000 0.500 0.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.942 ppm2 3.595 CV 1
ASSI { 447}
(( segid " " and resid 79 and name HA1 ))
(( segid " " and resid 79 and name HN ))
2.700 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.584 ppm2 8.898 CV 1
ASSI { 449}
(( segid " " and resid 79 and name HA1 ))
( segid " " and resid 82 and name HD1%)
3.100 3.100 2.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.587 ppm2 0.632 CV 1
ASSI { 450}
(( segid " " and resid 48 and name HB1 ))
(( segid " " and resid 48 and name HB2 ))
2.000 0.500 0.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.702 ppm2 1.267 CV 1
ASSI { 454}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 24 and name HD2%)
2.600 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.324 ppm2 0.040 CV 1
OR { 454}
(( segid " " and resid 24 and name HB1 ))
( segid " " and resid 24 and name HD1%)
OR { 454}
(( segid " " and resid 24 and name HB1 ))
( segid " " and resid 24 and name HD2%)
OR { 454}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 24 and name HD1%)
ASSI { 457}
(( segid " " and resid 24 and name HB1 ))
( segid " " and resid 85 and name HD2%)
2.800 1.000 1.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.313 ppm2 0.715 CV 1
OR { 457}
(( segid " " and resid 24 and name HB1 ))
( segid " " and resid 85 and name HD1%)
OR { 457}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 85 and name HD2%)
OR { 457}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 85 and name HD1%)
ASSI { 462}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 34 and name HA2 ))
2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.648 ppm2 3.796 CV 1
ASSI { 464}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.787 ppm2 9.304 CV 1
ASSI { 472}
(( segid " " and resid 14 and name HA1 ))
(( segid " " and resid 14 and name HA2 ))
2.000 0.500 0.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.209 ppm2 3.309 CV 1
ASSI { 474}
(( segid " " and resid 13 and name HA1 ))
( segid " " and resid 8 and name HD1%)
2.200 2.200 3.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.049 ppm2 0.735 CV 1
OR { 474}
(( segid " " and resid 13 and name HA2 ))
( segid " " and resid 8 and name HD1%)
ASSI { 478}
(( segid " " and resid 34 and name HA2 ))
( segid " " and resid 35 and name HD1%)
2.900 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.786 ppm2 0.775 CV 1
ASSI { 480}
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 84 and name HA ))
2.600 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.477 ppm2 4.761 CV 1
OR { 480}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HA ))
ASSI { 481}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 25 and name HB ))
2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.472 ppm2 1.568 CV 1
OR { 481}
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 25 and name HB ))
ASSI { 486}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 19 and name HA1 ))
2.100 0.500 0.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.568 ppm2 3.580 CV 1
ASSI { 487}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 35 and name HG2%)
3.300 1.400 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.559 ppm2 0.858 CV 1
ASSI { 489}
(( segid " " and resid 19 and name HA1 ))
( segid " " and resid 35 and name HG2%)
2.700 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.584 ppm2 0.857 CV 1
ASSI { 496}
(( segid " " and resid 63 and name HD1 ))
(( segid " " and resid 64 and name HG1 ))
3.100 3.100 2.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.191 ppm2 2.016 CV 1
OR { 496}
(( segid " " and resid 63 and name HD2 ))
(( segid " " and resid 64 and name HG1 ))
ASSI { 507}
(( segid " " and resid 81 and name HB1 ))
(( segid " " and resid 81 and name HB2 ))
2.000 0.500 0.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.178 ppm2 2.901 CV 1
ASSI { 509}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HG1 ))
2.600 0.800 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.062 ppm2 1.615 CV 1
OR { 509}
(( segid " " and resid 52 and name HD1 ))
(( segid " " and resid 52 and name HG1 ))
OR { 509}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HB1 ))
OR { 509}
(( segid " " and resid 52 and name HD1 ))
(( segid " " and resid 52 and name HB1 ))
ASSI { 510}
(( segid " " and resid 52 and name HD1 ))
(( segid " " and resid 52 and name HG2 ))
2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.062 ppm2 1.321 CV 1
OR { 510}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HG2 ))
ASSI { 514}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 81 and name HN ))
2.300 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.907 ppm2 8.011 CV 1
ASSI { 515}
(( segid " " and resid 74 and name HB1 ))
( segid " " and resid 74 and name HD% )
2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.784 ppm2 6.741 CV 1
ASSI { 516}
(( segid " " and resid 74 and name HB2 ))
( segid " " and resid 74 and name HD% )
2.500 0.800 0.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.685 ppm2 6.730 CV 1
ASSI { 523}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HD1 ))
2.500 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.963 ppm2 1.637 CV 1
ASSI { 537}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 75 and name HD1%)
2.600 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.158 ppm2 0.272 CV 1
ASSI { 541}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HB2 ))
2.100 0.600 0.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.309 ppm2 2.376 CV 1
ASSI { 543}
(( segid " " and resid 83 and name HE1 ))
(( segid " " and resid 27 and name HA ))
2.300 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.883 ppm2 4.023 CV 1
OR { 543}
(( segid " " and resid 83 and name HE2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 545}
(( segid " " and resid 83 and name HE1 ))
(( segid " " and resid 83 and name HG1 ))
2.700 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.880 ppm2 1.272 CV 1
OR { 545}
(( segid " " and resid 83 and name HE2 ))
(( segid " " and resid 83 and name HG1 ))
OR { 545}
(( segid " " and resid 83 and name HE1 ))
(( segid " " and resid 83 and name HB1 ))
OR { 545}
(( segid " " and resid 83 and name HE2 ))
(( segid " " and resid 83 and name HB1 ))
ASSI { 547}
(( segid " " and resid 32 and name HB1 ))
( segid " " and resid 32 and name HD% )
2.600 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.771 ppm2 6.951 CV 1
ASSI { 549}
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 82 and name HA ))
2.800 2.800 3.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.711 ppm2 3.805 CV 1
OR { 549}
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 82 and name HA ))
ASSI { 550}
(( segid " " and resid 77 and name HB2 ))
( segid " " and resid 46 and name HG2%)
2.800 2.800 3.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.709 ppm2 0.689 CV 1
OR { 550}
(( segid " " and resid 77 and name HB1 ))
( segid " " and resid 46 and name HG2%)
ASSI { 551}
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 26 and name HB2 ))
2.600 2.600 3.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.707 ppm2 4.870 CV 1
OR { 551}
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 553}
(( segid " " and resid 77 and name HB2 ))
( segid " " and resid 77 and name HD% )
2.500 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.669 ppm2 6.937 CV 1
OR { 553}
(( segid " " and resid 77 and name HB1 ))
( segid " " and resid 77 and name HD% )
ASSI { 560}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 75 and name HG2%)
2.500 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.150 ppm2 -0.169 CV 1
ASSI { 565}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.035 ppm2 4.819 CV 1
ASSI { 566}
(( segid " " and resid 37 and name HB1 ))
( segid " " and resid 37 and name HD% )
2.400 0.700 0.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.030 ppm2 7.092 CV 1
ASSI { 567}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 37 and name HD% )
2.600 0.900 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.899 ppm2 7.082 CV 1
ASSI { 568}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HA ))
2.600 0.900 0.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.504 ppm2 4.491 CV 1
ASSI { 569}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HB2 ))
2.000 0.500 0.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.214 ppm2 1.366 CV 1
ASSI { 570}
(( segid " " and resid 36 and name HB1 ))
( segid " " and resid 36 and name HD1%)
2.700 0.900 0.900 peak 570 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.213 ppm2 0.775 CV 1
OR { 570}
(( segid " " and resid 36 and name HB1 ))
( segid " " and resid 36 and name HD2%)
ASSI { 573}
(( segid " " and resid 22 and name HB ))
( segid " " and resid 22 and name HG2%)
2.400 0.700 0.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.887 ppm2 0.757 CV 1
ASSI { 574}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HG12))
2.600 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.882 ppm2 1.417 CV 1
ASSI { 575}
(( segid " " and resid 39 and name HB ))
(( segid " " and resid 39 and name HN ))
2.500 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.715 ppm2 8.413 CV 1
ASSI { 576}
(( segid " " and resid 39 and name HB ))
(( segid " " and resid 38 and name HA ))
3.200 3.200 2.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.715 ppm2 4.447 CV 1
ASSI { 578}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HG12))
2.500 0.800 0.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.707 ppm2 1.491 CV 1
OR { 578}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HG11))
ASSI { 582}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 36 and name HD2%)
2.600 0.900 0.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.356 ppm2 0.775 CV 1
OR { 582}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 36 and name HD1%)
ASSI { 589}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HB2 ))
2.100 0.600 0.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.368 ppm2 2.502 CV 1
ASSI { 590}
(( segid " " and resid 54 and name HB1 ))
( segid " " and resid 54 and name HD% )
2.600 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.367 ppm2 7.136 CV 1
ASSI { 592}
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HA ))
2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.884 ppm2 4.753 CV 1
ASSI { 593}
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HB2 ))
2.200 0.600 0.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.884 ppm2 2.593 CV 1
ASSI { 595}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HA ))
2.600 0.900 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.595 ppm2 4.755 CV 1
ASSI { 597}
(( segid " " and resid 82 and name HB ))
( segid " " and resid 82 and name HG2%)
2.500 0.800 0.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.872 ppm2 0.602 CV 1
OR { 597}
(( segid " " and resid 82 and name HB ))
( segid " " and resid 82 and name HD1%)
ASSI { 602}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HA ))
2.500 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.745 ppm2 4.787 CV 1
ASSI { 603}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HB2 ))
2.100 0.500 0.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.747 ppm2 2.461 CV 1
ASSI { 607}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.884 ppm2 9.267 CV 1
ASSI { 608}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 36 and name HB2 ))
3.200 3.200 2.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.883 ppm2 1.355 CV 1
ASSI { 609}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG2%)
2.400 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.879 ppm2 0.841 CV 1
ASSI { 612}
(( segid " " and resid 76 and name HB ))
( segid " " and resid 76 and name HG2%)
2.600 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.560 ppm2 0.769 CV 1
OR { 612}
(( segid " " and resid 76 and name HB ))
( segid " " and resid 76 and name HD1%)
ASSI { 613}
(( segid " " and resid 76 and name HB ))
(( segid " " and resid 77 and name HB2 ))
3.200 3.200 2.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.535 ppm2 2.686 CV 1
OR { 613}
(( segid " " and resid 76 and name HB ))
(( segid " " and resid 77 and name HB1 ))
ASSI { 616}
(( segid " " and resid 57 and name HG2 ))
(( segid " " and resid 57 and name HA ))
2.700 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.169 ppm2 3.752 CV 1
ASSI { 617}
(( segid " " and resid 94 and name HB ))
( segid " " and resid 94 and name HD1%)
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.859 ppm2 0.892 CV 1
ASSI { 619}
(( segid " " and resid 30 and name HB ))
( segid " " and resid 30 and name HG2%)
2.500 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.604 ppm2 0.231 CV 1
ASSI { 622}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.205 ppm2 4.197 CV 1
OR { 622}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HA ))
ASSI { 623}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.203 ppm2 8.353 CV 1
OR { 623}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 624}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 18 and name HG2%)
2.500 0.800 0.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.859 ppm2 0.883 CV 1
ASSI { 627}
(( segid " " and resid 89 and name HG2 ))
(( segid " " and resid 91 and name HD2 ))
2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.301 ppm2 3.783 CV 1
OR { 627}
(( segid " " and resid 89 and name HG1 ))
(( segid " " and resid 91 and name HD2 ))
ASSI { 630}
(( segid " " and resid 70 and name HG2 ))
(( segid " " and resid 70 and name HB2 ))
2.600 0.900 0.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.897 ppm2 1.603 CV 1
OR { 630}
(( segid " " and resid 70 and name HG1 ))
(( segid " " and resid 70 and name HB1 ))
OR { 630}
(( segid " " and resid 70 and name HG1 ))
(( segid " " and resid 70 and name HB2 ))
OR { 630}
(( segid " " and resid 70 and name HG2 ))
(( segid " " and resid 70 and name HB1 ))
ASSI { 633}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HA ))
2.600 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.825 ppm2 4.529 CV 1
ASSI { 635}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 46 and name HG1%)
2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.814 ppm2 0.721 CV 1
OR { 635}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 46 and name HG2%)
ASSI { 640}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 74 and name HB2 ))
2.200 2.200 3.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.056 ppm2 2.699 CV 1
ASSI { 641}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG1%)
2.500 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.051 ppm2 0.822 CV 1
ASSI { 642}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG2%)
2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.046 ppm2 1.134 CV 1
ASSI { 643}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HB1 ))
2.100 0.500 0.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.523 ppm2 1.291 CV 1
OR { 643}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HG1 ))
ASSI { 645}
(( segid " " and resid 83 and name HB1 ))
(( segid " " and resid 83 and name HA ))
2.400 0.700 0.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.310 ppm2 4.316 CV 1
ASSI { 646}
(( segid " " and resid 83 and name HB1 ))
(( segid " " and resid 83 and name HB2 ))
2.000 0.500 0.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.309 ppm2 1.540 CV 1
OR { 646}
(( segid " " and resid 83 and name HB1 ))
(( segid " " and resid 83 and name HD2 ))
ASSI { 649}
(( segid " " and resid 52 and name HB1 ))
(( segid " " and resid 52 and name HA ))
2.800 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.594 ppm2 5.010 CV 1
ASSI { 652}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.759 ppm2 8.700 CV 1
OR { 652}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HN ))
ASSI { 653}
(( segid " " and resid 92 and name HB1 ))
(( segid " " and resid 92 and name HA ))
2.400 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.703 ppm2 4.612 CV 1
ASSI { 665}
(( segid " " and resid 87 and name HB ))
( segid " " and resid 87 and name HG2%)
2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.855 ppm2 0.802 CV 1
ASSI { 666}
(( segid " " and resid 87 and name HB ))
( segid " " and resid 87 and name HG1%)
2.500 0.800 0.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.841 ppm2 0.598 CV 1
ASSI { 670}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HA ))
2.700 0.900 0.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.777 ppm2 4.365 CV 1
ASSI { 671}
(( segid " " and resid 92 and name HB1 ))
(( segid " " and resid 92 and name HG1 ))
2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.709 ppm2 1.486 CV 1
ASSI { 678}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HD2 ))
3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.138 ppm2 3.568 CV 1
ASSI { 679}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HA ))
2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.135 ppm2 4.353 CV 1
ASSI { 680}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HD1 ))
2.900 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.125 ppm2 3.856 CV 1
ASSI { 685}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 83 and name HA ))
3.200 3.200 2.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.002 ppm2 4.303 CV 1
OR { 685}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 83 and name HA ))
ASSI { 687}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG1 ))
2.400 0.700 0.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.995 ppm2 1.307 CV 1
OR { 687}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HG1 ))
ASSI { 688}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.975 ppm2 8.496 CV 1
OR { 688}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HN ))
ASSI { 720}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HB1 ))
2.000 0.500 0.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.758 ppm2 1.575 CV 1
ASSI { 728}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
2.600 0.900 0.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.095 ppm2 4.594 CV 1
OR { 728}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HA ))
ASSI { 736}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HN ))
2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.074 ppm2 8.401 CV 1
OR { 736}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
ASSI { 744}
(( segid " " and resid 50 and name HB1 ))
(( segid " " and resid 50 and name HB2 ))
2.000 0.500 0.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.099 ppm2 1.676 CV 1
ASSI { 745}
(( segid " " and resid 50 and name HB1 ))
(( segid " " and resid 50 and name HG1 ))
2.700 0.900 0.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.102 ppm2 1.403 CV 1
ASSI { 748}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.672 ppm2 4.663 CV 1
ASSI { 754}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 30 and name HG12))
3.200 3.200 2.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.511 ppm2 0.486 CV 1
ASSI { 770}
(( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 88 and name HB2 ))
2.200 0.600 0.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.907 ppm2 2.551 CV 1
ASSI { 776}
(( segid " " and resid 18 and name HG12))
( segid " " and resid 18 and name HD1%)
2.600 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.609 ppm2 0.762 CV 1
ASSI { 780}
(( segid " " and resid 18 and name HG11))
( segid " " and resid 35 and name HG2%)
2.900 2.900 3.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.269 ppm2 0.835 CV 1
ASSI { 782}
(( segid " " and resid 75 and name HG12))
(( segid " " and resid 48 and name HB1 ))
2.600 2.600 3.400 peak 782 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.101 ppm2 1.673 CV 1
OR { 782}
(( segid " " and resid 75 and name HG11))
(( segid " " and resid 48 and name HB1 ))
ASSI { 800}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 15 and name HB ))
3.500 3.500 2.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.010 ppm2 4.129 CV 1
ASSI { 806}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 66 and name HA ))
3.600 1.700 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.909 ppm2 4.696 CV 1
ASSI { 808}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 69 and name HB2 ))
3.100 3.100 2.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.891 ppm2 2.496 CV 1
ASSI { 820}
(( segid " " and resid 94 and name HG11))
( segid " " and resid 94 and name HG2%)
3.100 1.200 1.200 peak 820 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.500 ppm2 1.203 CV 1
ASSI { 821}
(( segid " " and resid 22 and name HG12))
(( segid " " and resid 22 and name HN ))
2.500 2.500 3.500 peak 821 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.414 ppm2 9.230 CV 1
ASSI { 824}
(( segid " " and resid 22 and name HG11))
(( segid " " and resid 85 and name HB2 ))
2.700 2.700 3.300 peak 824 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.190 ppm2 1.493 CV 1
OR { 824}
(( segid " " and resid 22 and name HG11))
(( segid " " and resid 85 and name HB1 ))
ASSI { 825}
(( segid " " and resid 22 and name HG11))
( segid " " and resid 22 and name HD1%)
2.500 0.800 0.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.193 ppm2 0.879 CV 1
ASSI { 828}
(( segid " " and resid 75 and name HG12))
( segid " " and resid 75 and name HD1%)
2.500 0.800 0.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.096 ppm2 0.270 CV 1
OR { 828}
(( segid " " and resid 75 and name HG11))
( segid " " and resid 75 and name HD1%)
ASSI { 834}
(( segid " " and resid 82 and name HG11))
( segid " " and resid 82 and name HD1%)
2.600 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.877 ppm2 0.567 CV 1
OR { 834}
(( segid " " and resid 82 and name HG11))
( segid " " and resid 82 and name HG2%)
ASSI { 835}
(( segid " " and resid 52 and name HG1 ))
(( segid " " and resid 52 and name HD2 ))
2.500 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.593 ppm2 3.057 CV 1
OR { 835}
(( segid " " and resid 52 and name HG1 ))
(( segid " " and resid 52 and name HD1 ))
ASSI { 838}
(( segid " " and resid 63 and name HG2 ))
(( segid " " and resid 63 and name HD1 ))
2.500 0.800 0.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.511 ppm2 3.178 CV 1
OR { 838}
(( segid " " and resid 63 and name HG1 ))
(( segid " " and resid 63 and name HD2 ))
OR { 838}
(( segid " " and resid 63 and name HG1 ))
(( segid " " and resid 63 and name HD1 ))
OR { 838}
(( segid " " and resid 63 and name HG2 ))
(( segid " " and resid 63 and name HD2 ))
ASSI { 839}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 83 and name HE1 ))
2.800 2.800 3.200 peak 839 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.504 ppm2 2.873 CV 1
OR { 839}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 83 and name HE2 ))
ASSI { 840}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.500 ppm2 4.062 CV 1
ASSI { 847}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HB1 ))
2.500 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.053 ppm2 1.357 CV 1
OR { 847}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HB2 ))
ASSI { 848}
(( segid " " and resid 65 and name HG11))
(( segid " " and resid 65 and name HA ))
2.700 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.492 ppm2 4.364 CV 1
OR { 848}
(( segid " " and resid 65 and name HG12))
(( segid " " and resid 65 and name HA ))
ASSI { 849}
(( segid " " and resid 65 and name HG11))
( segid " " and resid 65 and name HG2%)
2.800 1.000 1.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.491 ppm2 1.013 CV 1
OR { 849}
(( segid " " and resid 65 and name HG12))
( segid " " and resid 65 and name HG2%)
ASSI { 852}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 19 and name HA1 ))
3.000 3.000 3.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.733 ppm2 3.542 CV 1
ASSI { 853}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 36 and name HB1 ))
2.600 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.732 ppm2 2.228 CV 1
ASSI { 854}
( segid " " and resid 36 and name HD2%)
( segid " " and resid 24 and name HD2%)
2.500 2.500 3.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.718 ppm2 0.023 CV 1
OR { 854}
( segid " " and resid 36 and name HD2%)
( segid " " and resid 24 and name HD1%)
ASSI { 855}
( segid " " and resid 24 and name HD1%)
( segid " " and resid 85 and name HD2%)
2.600 0.900 0.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.053 ppm2 0.694 CV 1
OR { 855}
( segid " " and resid 24 and name HD1%)
( segid " " and resid 85 and name HD1%)
ASSI { 856}
( segid " " and resid 24 and name HD1%)
( segid " " and resid 32 and name HD% )
3.000 3.000 3.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.052 ppm2 6.951 CV 1
ASSI { 857}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 82 and name HB ))
2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.051 ppm2 1.845 CV 1
OR { 857}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 82 and name HG11))
ASSI { 862}
(( segid " " and resid 83 and name HG1 ))
(( segid " " and resid 83 and name HE1 ))
2.600 0.900 0.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.303 ppm2 2.895 CV 1
OR { 862}
(( segid " " and resid 83 and name HG1 ))
(( segid " " and resid 83 and name HE2 ))
ASSI { 863}
(( segid " " and resid 83 and name HG2 ))
(( segid " " and resid 83 and name HA ))
2.600 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.193 ppm2 4.316 CV 1
ASSI { 864}
(( segid " " and resid 83 and name HG2 ))
(( segid " " and resid 83 and name HE2 ))
2.500 0.800 0.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.192 ppm2 2.884 CV 1
OR { 864}
(( segid " " and resid 83 and name HG2 ))
(( segid " " and resid 83 and name HE1 ))
ASSI { 865}
( segid " " and resid 8 and name HD1%)
(( segid " " and resid 8 and name HA ))
2.900 1.000 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.724 ppm2 4.292 CV 1
ASSI { 869}
( segid " " and resid 48 and name HD2%)
( segid " " and resid 77 and name HD% )
2.800 2.800 3.200 peak 869 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.680 ppm2 6.960 CV 1
OR { 869}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 77 and name HD% )
ASSI { 878}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 32 and name HD% )
2.600 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.138 ppm2 6.964 CV 1
ASSI { 884}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 34 and name HA2 ))
3.300 1.400 1.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.678 ppm2 3.821 CV 1
OR { 884}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 34 and name HA2 ))
ASSI { 894}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 52 and name HN ))
2.700 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.139 ppm2 9.088 CV 1
ASSI { 896}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 32 and name HB1 ))
2.400 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.138 ppm2 2.798 CV 1
ASSI { 910}
( segid " " and resid 24 and name HD2%)
( segid " " and resid 32 and name HD% )
2.700 2.700 3.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.021 ppm2 6.956 CV 1
ASSI { 911}
( segid " " and resid 24 and name HD2%)
(( segid " " and resid 24 and name HA ))
3.200 1.300 1.300 peak 911 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.024 ppm2 5.161 CV 1
ASSI { 912}
( segid " " and resid 24 and name HD2%)
(( segid " " and resid 82 and name HB ))
3.100 1.200 1.200 peak 912 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.022 ppm2 1.867 CV 1
OR { 912}
( segid " " and resid 24 and name HD2%)
(( segid " " and resid 82 and name HG11))
ASSI { 913}
( segid " " and resid 24 and name HD2%)
(( segid " " and resid 24 and name HB2 ))
2.600 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.021 ppm2 1.355 CV 1
OR { 913}
( segid " " and resid 24 and name HD2%)
(( segid " " and resid 24 and name HB1 ))
ASSI { 914}
( segid " " and resid 24 and name HD2%)
( segid " " and resid 85 and name HD2%)
3.000 1.200 1.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.022 ppm2 0.697 CV 1
OR { 914}
( segid " " and resid 24 and name HD2%)
( segid " " and resid 85 and name HD1%)
ASSI { 922}
( segid " " and resid 49 and name HB% )
(( segid " " and resid 50 and name HN ))
2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.260 ppm2 8.057 CV 1
ASSI { 923}
( segid " " and resid 49 and name HB% )
( segid " " and resid 74 and name HD% )
3.000 1.200 1.200 peak 923 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.261 ppm2 6.739 CV 1
ASSI { 927}
( segid " " and resid 49 and name HB% )
( segid " " and resid 76 and name HD1%)
2.800 2.800 3.200 peak 927 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.264 ppm2 0.749 CV 1
OR { 927}
( segid " " and resid 49 and name HB% )
( segid " " and resid 76 and name HG2%)
ASSI { 928}
( segid " " and resid 8 and name HD2%)
(( segid " " and resid 8 and name HA ))
2.700 0.900 0.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.684 ppm2 4.283 CV 1
ASSI { 932}
( segid " " and resid 56 and name HG2%)
(( segid " " and resid 56 and name HA ))
2.600 0.900 0.900 peak 932 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.215 ppm2 4.795 CV 1
ASSI { 939}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HA ))
2.700 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.224 ppm2 4.315 CV 1
ASSI { 948}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 15 and name HA ))
2.600 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.175 ppm2 4.316 CV 1
ASSI { 953}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 78 and name HD1 ))
3.200 1.300 1.300 peak 953 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.014 ppm2 3.170 CV 1
OR { 953}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 78 and name HD2 ))
ASSI { 957}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HB ))
2.400 0.700 0.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.012 ppm2 3.972 CV 1
ASSI { 958}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 81 and name HB2 ))
3.400 3.400 2.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.013 ppm2 2.955 CV 1
ASSI { 961}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 40 and name HB2 ))
2.800 1.000 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.012 ppm2 2.351 CV 1
ASSI { 967}
( segid " " and resid 71 and name HG2%)
(( segid " " and resid 49 and name HN ))
3.100 3.100 2.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.928 ppm2 9.513 CV 1
ASSI { 970}
( segid " " and resid 71 and name HG2%)
(( segid " " and resid 72 and name HB1 ))
3.200 3.200 2.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.929 ppm2 3.036 CV 1
ASSI { 973}
( segid " " and resid 71 and name HG2%)
(( segid " " and resid 51 and name HN ))
2.800 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.929 ppm2 8.718 CV 1
ASSI { 974}
( segid " " and resid 71 and name HG2%)
( segid " " and resid 48 and name HD2%)
2.200 2.200 3.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.926 ppm2 0.638 CV 1
ASSI { 975}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 88 and name HA ))
2.900 1.000 1.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.836 ppm2 4.425 CV 1
ASSI { 977}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 89 and name HA ))
2.800 2.800 3.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.827 ppm2 4.676 CV 1
ASSI { 978}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 87 and name HA ))
2.600 0.800 0.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.830 ppm2 4.187 CV 1
ASSI { 979}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 20 and name HB2 ))
2.200 2.200 3.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.830 ppm2 3.825 CV 1
OR { 979}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 20 and name HB1 ))
ASSI { 983}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 77 and name HD% )
2.900 1.100 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.723 ppm2 6.954 CV 1
OR { 983}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 77 and name HD% )
ASSI { 985}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 77 and name HB2 ))
2.900 1.100 1.100 peak 985 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.726 ppm2 2.682 CV 1
OR { 985}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 77 and name HB1 ))
OR { 985}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 77 and name HB2 ))
OR { 985}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 77 and name HB1 ))
ASSI { 986}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 36 and name HB1 ))
2.700 2.700 3.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.726 ppm2 2.237 CV 1
ASSI { 989}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 24 and name HD1%)
2.700 0.900 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.722 ppm2 0.027 CV 1
OR { 989}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 24 and name HD2%)
OR { 989}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 24 and name HD2%)
OR { 989}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 24 and name HD1%)
ASSI { 995}
( segid " " and resid 28 and name HB% )
( segid " " and resid 25 and name HG2%)
3.200 3.200 2.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.403 ppm2 0.867 CV 1
ASSI { 996}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HN ))
2.600 0.800 0.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.804 ppm2 9.208 CV 1
ASSI { 997}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 23 and name HN ))
3.200 1.200 1.200 peak 997 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.805 ppm2 8.671 CV 1
ASSI { 1009}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 28 and name HN ))
2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.403 ppm2 7.737 CV 1
ASSI { 1012}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HN ))
2.900 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.965 ppm2 7.728 CV 1
ASSI { 1013}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 56 and name HA ))
2.200 2.200 3.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.966 ppm2 4.772 CV 1
ASSI { 1016}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 59 and name HB2 ))
2.200 2.200 3.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.967 ppm2 2.280 CV 1
ASSI { 1019}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 65 and name HB ))
3.000 3.000 3.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.966 ppm2 1.691 CV 1
ASSI { 1021}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 63 and name HG2 ))
3.100 3.100 2.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.965 ppm2 1.480 CV 1
OR { 1021}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 63 and name HG1 ))
ASSI { 1024}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.223 ppm2 7.556 CV 1
ASSI { 1027}
( segid " " and resid 30 and name HG2%)
( segid " " and resid 51 and name HG2%)
2.900 2.900 3.100 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.222 ppm2 1.136 CV 1
ASSI { 1028}
( segid " " and resid 30 and name HG2%)
( segid " " and resid 25 and name HG2%)
3.100 1.200 1.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.223 ppm2 0.849 CV 1
ASSI { 1029}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 30 and name HG12))
3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.222 ppm2 0.514 CV 1
ASSI { 1039}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 67 and name HB1 ))
3.600 3.600 2.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.434 ppm2 2.128 CV 1
ASSI { 1046}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 83 and name HN ))
3.000 1.100 1.100 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.577 ppm2 9.168 CV 1
ASSI { 1048}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HA ))
2.400 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.578 ppm2 3.768 CV 1
ASSI { 1049}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HB ))
2.500 0.800 0.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.579 ppm2 1.874 CV 1
OR { 1049}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HG11))
ASSI { 1050}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 24 and name HB2 ))
3.300 1.400 1.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.579 ppm2 1.363 CV 1
ASSI { 1052}
( segid " " and resid 82 and name HG2%)
( segid " " and resid 24 and name HD1%)
2.500 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.579 ppm2 0.054 CV 1
ASSI { 1055}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 66 and name HN ))
2.600 0.800 0.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.037 ppm2 8.605 CV 1
ASSI { 1057}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 14 and name HA2 ))
2.200 2.200 3.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.037 ppm2 3.308 CV 1
ASSI { 1058}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 19 and name HN ))
2.600 0.900 0.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.914 ppm2 9.308 CV 1
ASSI { 1059}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 37 and name HA ))
2.700 2.700 3.300 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.911 ppm2 4.828 CV 1
ASSI { 1060}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 19 and name HA2 ))
2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.914 ppm2 4.520 CV 1
ASSI { 1061}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HA ))
2.800 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.913 ppm2 3.550 CV 1
ASSI { 1062}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 84 and name HB1 ))
3.200 1.300 1.300 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.905 ppm2 2.436 CV 1
OR { 1062}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 84 and name HB2 ))
ASSI { 1063}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 83 and name HE2 ))
3.100 3.100 2.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.897 ppm2 2.863 CV 1
OR { 1063}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 83 and name HE1 ))
ASSI { 1064}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 26 and name HN ))
2.700 0.900 0.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.885 ppm2 9.472 CV 1
ASSI { 1068}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 22 and name HN ))
3.200 3.200 2.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.842 ppm2 9.214 CV 1
ASSI { 1069}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 34 and name HA1 ))
3.200 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.839 ppm2 4.614 CV 1
ASSI { 1073}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 77 and name HN ))
2.600 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.730 ppm2 9.324 CV 1
ASSI { 1074}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 76 and name HA ))
2.500 0.800 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.729 ppm2 4.522 CV 1
ASSI { 1075}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 45 and name HB ))
2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.730 ppm2 3.989 CV 1
ASSI { 1076}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 48 and name HN ))
3.300 1.300 1.300 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.729 ppm2 8.929 CV 1
ASSI { 1077}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 47 and name HA ))
2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.728 ppm2 5.474 CV 1
ASSI { 1078}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 77 and name HB2 ))
3.200 1.300 1.300 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.727 ppm2 2.693 CV 1
OR { 1078}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 77 and name HB1 ))
ASSI { 1082}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 76 and name HN ))
3.100 1.200 1.200 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 -0.178 ppm2 8.010 CV 1
ASSI { 1083}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 74 and name HA ))
2.700 0.900 0.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 -0.176 ppm2 5.460 CV 1
ASSI { 1086}
( segid " " and resid 75 and name HG2%)
( segid " " and resid 48 and name HD1%)
2.200 2.200 3.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 -0.178 ppm2 0.689 CV 1
ASSI { 1098}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 23 and name HB1 ))
3.200 3.200 2.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.854 ppm2 3.659 CV 1
ASSI { 1103}
( segid " " and resid 39 and name HD1%)
(( segid " " and resid 39 and name HA ))
3.100 1.200 1.200 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.840 ppm2 4.492 CV 1
ASSI { 1109}
( segid " " and resid 75 and name HD1%)
( segid " " and resid 75 and name HG2%)
2.900 1.000 1.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.256 ppm2 -0.188 CV 1
ASSI { 1113}
( segid " " and resid 76 and name HD1%)
(( segid " " and resid 77 and name HB2 ))
3.500 3.500 2.500 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.782 ppm2 2.698 CV 1
OR { 1113}
( segid " " and resid 76 and name HD1%)
(( segid " " and resid 77 and name HB1 ))
ASSI { 1114}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 84 and name HB2 ))
2.600 0.900 0.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.764 ppm2 2.473 CV 1
OR { 1114}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 84 and name HB1 ))
ASSI { 1119}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.793 ppm2 4.676 CV 1
ASSI { 1121}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 50 and name HE1 ))
2.900 2.900 3.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.791 ppm2 2.946 CV 1
ASSI { 1122}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 50 and name HB1 ))
2.600 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.789 ppm2 2.113 CV 1
ASSI { 1123}
( segid " " and resid 65 and name HD1%)
(( segid " " and resid 65 and name HA ))
3.000 1.100 1.100 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.784 ppm2 4.394 CV 1
ASSI { 1125}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 49 and name HB% )
3.300 3.300 2.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.479 ppm2 1.266 CV 1
ASSI { 1126}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 76 and name HD1%)
3.000 3.000 3.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.502 ppm2 0.804 CV 1
ASSI { 1127}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 49 and name HA ))
3.500 1.500 1.500 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.620 ppm2 5.193 CV 1
ASSI { 1130}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 33 and name HN ))
2.200 2.200 3.800 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.020 ppm2 9.008 CV 1
ASSI { 1133}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 86 and name HN ))
2.500 0.800 0.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.935 ppm2 9.109 CV 1
ASSI { 1134}
(( segid " " and resid 86 and name HB ))
(( segid " " and resid 87 and name HN ))
3.100 1.200 1.200 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.933 ppm2 8.718 CV 1
ASSI { 1135}
(( segid " " and resid 38 and name HB ))
( segid " " and resid 37 and name HD% )
2.600 2.600 3.400 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.959 ppm2 7.099 CV 1
ASSI { 1141}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 59 and name HB2 ))
2.200 2.200 3.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.293 ppm2 2.298 CV 1
ASSI { 1142}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 64 and name HG1 ))
3.400 3.400 2.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.296 ppm2 2.035 CV 1
ASSI { 1146}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 16 and name HD1 ))
2.900 1.100 1.100 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.096 ppm2 3.776 CV 1
ASSI { 1155}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB ))
2.600 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.560 ppm2 1.860 CV 1
ASSI { 1156}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
2.600 0.800 0.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.476 ppm2 5.509 CV 1
ASSI { 1158}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG12))
2.500 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.690 ppm2 0.492 CV 1
ASSI { 1159}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 25 and name HG2%)
2.600 0.900 0.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.707 ppm2 0.863 CV 1
ASSI { 1161}
(( segid " " and resid 94 and name HA ))
( segid " " and resid 94 and name HG2%)
2.600 0.900 0.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.112 ppm2 1.184 CV 1
ASSI { 1162}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
2.600 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.520 ppm2 7.711 CV 1
ASSI { 1168}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
2.600 0.800 0.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.754 ppm2 8.680 CV 1
ASSI { 1170}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 83 and name HN ))
2.600 0.800 0.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.228 ppm2 9.137 CV 1
ASSI { 1171}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.300 0.700 0.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.229 ppm2 8.491 CV 1
ASSI { 1173}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 74 and name HD% )
2.600 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.481 ppm2 6.729 CV 1
ASSI { 1175}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HB2 ))
3.100 1.200 1.200 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.513 ppm2 1.316 CV 1
OR { 1175}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HB1 ))
ASSI { 1176}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
2.700 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.820 ppm2 2.560 CV 1
ASSI { 1178}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.300 0.600 0.600 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.548 ppm2 9.682 CV 1
ASSI { 1179}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HD1%)
2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.134 ppm2 0.030 CV 1
OR { 1179}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HD2%)
ASSI { 1181}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HA ))
2.700 2.700 3.300 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.431 ppm2 4.374 CV 1
ASSI { 1186}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 51 and name HG1%)
2.900 2.900 3.100 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.228 ppm2 0.836 CV 1
ASSI { 1187}
(( segid " " and resid 79 and name HA1 ))
(( segid " " and resid 82 and name HG11))
3.400 1.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.586 ppm2 1.897 CV 1
OR { 1187}
(( segid " " and resid 79 and name HA1 ))
(( segid " " and resid 82 and name HB ))
ASSI { 1189}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.000 3.000 3.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.311 ppm2 9.496 CV 1
OR { 1189}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 26 and name HN ))
ASSI { 1190}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 22 and name HN ))
2.900 2.900 3.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.651 ppm2 9.225 CV 1
ASSI { 1192}
(( segid " " and resid 34 and name HA1 ))
( segid " " and resid 35 and name HD1%)
3.000 1.100 1.100 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.650 ppm2 0.777 CV 1
ASSI { 1196}
(( segid " " and resid 14 and name HA1 ))
(( segid " " and resid 15 and name HN ))
2.600 0.800 0.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.220 ppm2 8.682 CV 1
ASSI { 1197}
(( segid " " and resid 14 and name HA1 ))
( segid " " and resid 61 and name HG2%)
2.600 2.600 3.400 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.217 ppm2 1.033 CV 1
ASSI { 1200}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 19 and name HN ))
2.500 0.800 0.800 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.586 ppm2 9.264 CV 1
ASSI { 1205}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HA ))
2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.676 ppm2 5.477 CV 1
ASSI { 1206}
(( segid " " and resid 74 and name HB1 ))
(( segid " " and resid 74 and name HA ))
2.500 0.800 0.800 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.774 ppm2 5.472 CV 1
ASSI { 1207}
(( segid " " and resid 81 and name HB1 ))
(( segid " " and resid 81 and name HN ))
3.100 1.200 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.169 ppm2 8.042 CV 1
ASSI { 1212}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 48 and name HD2%)
2.600 2.600 3.400 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.154 ppm2 0.668 CV 1
OR { 1212}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 48 and name HD1%)
ASSI { 1213}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 78 and name HN ))
2.500 0.800 0.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.181 ppm2 9.071 CV 1
OR { 1213}
(( segid " " and resid 78 and name HD1 ))
(( segid " " and resid 78 and name HN ))
ASSI { 1217}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HN ))
2.900 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.308 ppm2 8.475 CV 1
ASSI { 1218}
(( segid " " and resid 43 and name HB1 ))
( segid " " and resid 45 and name HG2%)
2.600 0.800 0.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.739 ppm2 1.002 CV 1
ASSI { 1219}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HN ))
3.000 1.200 1.200 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.744 ppm2 7.866 CV 1
ASSI { 1224}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 54 and name HD% )
2.500 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.505 ppm2 7.107 CV 1
ASSI { 1227}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HA ))
2.400 0.700 0.700 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.885 ppm2 4.673 CV 1
ASSI { 1233}
(( segid " " and resid 30 and name HB ))
(( segid " " and resid 30 and name HN ))
2.400 0.700 0.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.602 ppm2 6.944 CV 1
ASSI { 1235}
(( segid " " and resid 94 and name HB ))
(( segid " " and resid 94 and name HN ))
2.600 2.600 3.400 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.853 ppm2 8.200 CV 1
ASSI { 1239}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HA ))
2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.524 ppm2 4.328 CV 1
ASSI { 1240}
(( segid " " and resid 83 and name HB1 ))
(( segid " " and resid 27 and name HA ))
3.400 1.400 1.400 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.316 ppm2 4.030 CV 1
ASSI { 1242}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HA ))
2.400 0.700 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.672 ppm2 5.001 CV 1
ASSI { 1243}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HD2 ))
2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.661 ppm2 3.032 CV 1
OR { 1243}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HD1 ))
ASSI { 1244}
(( segid " " and resid 52 and name HB1 ))
(( segid " " and resid 52 and name HD2 ))
2.900 1.000 1.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.592 ppm2 3.027 CV 1
OR { 1244}
(( segid " " and resid 52 and name HB1 ))
(( segid " " and resid 52 and name HD1 ))
ASSI { 1245}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HN ))
2.500 0.800 0.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.667 ppm2 9.136 CV 1
ASSI { 1246}
(( segid " " and resid 52 and name HB1 ))
(( segid " " and resid 52 and name HN ))
2.500 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.583 ppm2 9.125 CV 1
ASSI { 1247}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 61 and name HN ))
3.300 1.400 1.400 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.119 ppm2 7.709 CV 1
ASSI { 1250}
(( segid " " and resid 63 and name HB1 ))
(( segid " " and resid 63 and name HD2 ))
2.700 0.900 0.900 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.579 ppm2 3.157 CV 1
OR { 1250}
(( segid " " and resid 63 and name HB1 ))
(( segid " " and resid 63 and name HD1 ))
ASSI { 1253}
(( segid " " and resid 27 and name HD1 ))
( segid " " and resid 25 and name HG2%)
3.100 3.100 2.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.516 ppm2 0.864 CV 1
ASSI { 1255}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 43 and name HN ))
2.500 0.800 0.800 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.086 ppm2 7.926 CV 1
OR { 1255}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 43 and name HN ))
ASSI { 1258}
(( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 88 and name HN ))
2.600 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.910 ppm2 8.740 CV 1
ASSI { 1259}
(( segid " " and resid 75 and name HG12))
( segid " " and resid 75 and name HG2%)
2.700 0.900 0.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.099 ppm2 -0.166 CV 1
OR { 1259}
(( segid " " and resid 75 and name HG11))
( segid " " and resid 75 and name HG2%)
ASSI { 1263}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HA ))
2.700 0.900 0.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.054 ppm2 5.139 CV 1
ASSI { 1266}
( segid " " and resid 49 and name HB% )
( segid " " and resid 37 and name HD% )
2.800 1.000 1.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.267 ppm2 7.096 CV 1
ASSI { 1268}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 38 and name HN ))
2.400 0.700 0.700 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.363 ppm2 7.652 CV 1
ASSI { 1269}
( segid " " and resid 47 and name HB% )
( segid " " and resid 37 and name HD% )
2.600 0.900 0.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.363 ppm2 7.082 CV 1
ASSI { 1272}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 56 and name HN ))
3.000 3.000 3.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.177 ppm2 7.899 CV 1
ASSI { 1273}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HN ))
2.500 0.800 0.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.012 ppm2 8.151 CV 1
ASSI { 1274}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 80 and name HN ))
2.700 2.700 3.300 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.011 ppm2 8.338 CV 1
ASSI { 1276}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 89 and name HG1 ))
2.900 2.900 3.100 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.831 ppm2 2.334 CV 1
OR { 1276}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 89 and name HG2 ))
ASSI { 1277}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 79 and name HA1 ))
2.900 1.100 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.015 ppm2 3.598 CV 1
ASSI { 1279}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 46 and name HB ))
2.900 2.900 3.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.728 ppm2 1.849 CV 1
ASSI { 1282}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 48 and name HA ))
2.400 0.700 0.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.353 ppm2 5.430 CV 1
ASSI { 1283}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 78 and name HA ))
2.800 2.800 3.200 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.195 ppm2 4.637 CV 1
ASSI { 1284}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HD% )
2.700 0.900 0.900 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.354 ppm2 7.137 CV 1
ASSI { 1285}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HN ))
2.600 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.359 ppm2 7.530 CV 1
ASSI { 1287}
(( segid " " and resid 55 and name HA1 ))
( segid " " and resid 54 and name HD% )
2.200 2.200 3.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.058 ppm2 7.094 CV 1
ASSI { 1288}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HN ))
2.900 1.100 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.383 ppm2 9.378 CV 1
ASSI { 1292}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 24 and name HA ))
2.400 0.700 0.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.934 ppm2 5.140 CV 1
ASSI { 1295}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 29 and name HA ))
2.700 2.700 3.300 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.697 ppm2 4.172 CV 1
ASSI { 1298}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.500 0.800 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.919 ppm2 9.078 CV 1
ASSI { 1299}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.300 0.700 0.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.686 ppm2 9.333 CV 1
ASSI { 1300}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 19 and name HA1 ))
2.800 2.800 3.200 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.351 ppm2 3.570 CV 1
ASSI { 1301}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 46 and name HG1%)
2.900 2.900 3.100 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.401 ppm2 0.721 CV 1
OR { 1301}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 46 and name HG2%)
ASSI { 1303}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HB2 ))
3.300 1.400 1.400 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.520 ppm2 2.718 CV 1
OR { 1303}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HB1 ))
ASSI { 1305}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 44 and name HN ))
2.600 2.600 3.400 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.309 ppm2 7.779 CV 1
ASSI { 1306}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HD2 ))
2.800 1.000 1.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.309 ppm2 3.810 CV 1
OR { 1306}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HD1 ))
ASSI { 1308}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 77 and name HN ))
2.900 1.100 1.100 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.481 ppm2 9.319 CV 1
ASSI { 1309}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HB2 ))
2.900 2.900 3.100 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.913 ppm2 1.668 CV 1
ASSI { 1310}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB ))
2.300 0.700 0.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.933 ppm2 2.023 CV 1
ASSI { 1311}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 48 and name HD2%)
2.700 2.700 3.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.917 ppm2 0.678 CV 1
OR { 1311}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 48 and name HD1%)
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