NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
26202 | 2kg8 | 16197 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 11} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.88692E-03 ppm1 0.794 ppm2 4.306 CV 1 OR { 11} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 27} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 33 and name HN )) 3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10852E-02 ppm1 0.868 ppm2 7.211 CV 1 OR { 27} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HE% ) ASSI { 43} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB1 )) 4.200 2.200 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.80097E-03 ppm1 0.868 ppm2 3.301 CV 1 OR { 43} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 31 and name HA )) ASSI { 57} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 82 and name HD1%) 2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.56310E-02 ppm1 0.795 ppm2 0.990 CV 1 OR { 57} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HG )) OR { 57} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 58 and name HG2%) ASSI { 58} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 58 and name HG1%) 2.000 2.000 4.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 0.794 ppm2 0.905 CV 1 OR { 58} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 4 and name HD1%) ASSI { 62} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 10 and name HD2%) 2.800 2.800 3.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 0.793 ppm2 1.139 CV 1 OR { 62} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 48 and name HG2%) ASSI { 83} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HG )) 3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.82316E-03 ppm1 0.795 ppm2 2.040 CV 1 OR { 83} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HB1 )) OR { 83} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 82 and name HB1 )) ASSI { 94} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.300 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 4.271 ppm2 8.463 CV 1 OR { 94} (( segid " " and resid 42 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 117} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.80289E-02 ppm1 4.368 ppm2 4.500 CV 1 OR { 117} (( segid " " and resid 21 and name HB )) (( segid " " and resid 20 and name HA )) ASSI { 118} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HN )) 3.100 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.39718E-02 ppm1 4.368 ppm2 8.493 CV 1 OR { 118} (( segid " " and resid 21 and name HB )) (( segid " " and resid 23 and name HN )) ASSI { 127} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HB1 )) 1.600 0.300 0.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.28788E-01 ppm1 2.754 ppm2 2.867 CV 1 OR { 127} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB1 )) ASSI { 130} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 24 and name HA )) 4.900 3.000 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.42699E-03 ppm1 2.755 ppm2 4.333 CV 1 OR { 130} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HA )) ASSI { 131} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 26 and name HA )) 4.800 2.900 1.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.38781E-03 ppm1 2.873 ppm2 4.337 CV 1 OR { 131} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HA )) ASSI { 132} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 2.700 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.66711E-02 ppm1 2.837 ppm2 8.493 CV 1 OR { 132} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) OR { 132} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) OR { 132} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) ASSI { 137} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) 2.900 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.39702E-02 ppm1 2.296 ppm2 4.261 CV 1 OR { 137} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 43 and name HA )) OR { 137} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name HA )) ASSI { 139} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HN )) 2.200 0.600 0.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.52299E-02 ppm1 2.283 ppm2 8.228 CV 1 OR { 139} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 147} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.43068E-03 ppm1 3.096 ppm2 1.850 CV 1 OR { 147} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HG11)) ASSI { 148} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 3.300 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.85760E-03 ppm1 2.994 ppm2 1.844 CV 1 OR { 148} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HG11)) ASSI { 149} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 33 and name HD2%) 4.100 2.100 1.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.43280E-03 ppm1 3.038 ppm2 1.063 CV 1 OR { 149} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 52 and name HD2%) OR { 149} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 154} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.82990E-03 ppm1 2.995 ppm2 7.717 CV 1 OR { 154} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 155} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.400 1.400 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.76037E-03 ppm1 3.082 ppm2 7.712 CV 1 OR { 155} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 158} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.47469E-03 ppm1 2.995 ppm2 8.460 CV 1 OR { 158} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 159} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.40921E-03 ppm1 3.088 ppm2 8.455 CV 1 OR { 159} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 161} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 48 and name HG2%) 3.700 1.700 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 0.204 ppm2 1.107 CV 1 OR { 161} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 68 and name HG1%) ASSI { 162} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HG )) 3.300 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 0.203 ppm2 0.972 CV 1 OR { 162} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 77 and name HD1%) ASSI { 164} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.25647E-02 ppm1 0.204 ppm2 1.516 CV 1 OR { 164} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 167} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HB )) 3.800 1.800 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.49375E-03 ppm1 0.205 ppm2 4.387 CV 1 OR { 167} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 14 and name HA )) OR { 167} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HA )) ASSI { 168} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HA )) 4.400 2.500 1.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.85478E-03 ppm1 0.205 ppm2 4.266 CV 1 OR { 168} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name HA )) ASSI { 182} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HN )) 3.400 1.400 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 2.640 ppm2 7.834 CV 1 OR { 182} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 17 and name HN )) ASSI { 187} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB1 )) 2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.43229E-02 ppm1 2.620 ppm2 2.256 CV 1 OR { 187} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 15 and name HB )) ASSI { 190} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 68 and name HB )) 5.200 3.300 0.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.45414E-03 ppm1 2.508 ppm2 2.395 CV 1 OR { 190} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 74 and name HB1 )) ASSI { 193} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.300 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.81098E-02 ppm1 4.236 ppm2 2.486 CV 1 OR { 193} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG2 )) OR { 193} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) ASSI { 194} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.900 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.39984E-02 ppm1 4.228 ppm2 2.344 CV 1 OR { 194} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 195} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.300 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.91373E-02 ppm1 4.232 ppm2 2.199 CV 1 OR { 195} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 196} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.58761E-02 ppm1 4.242 ppm2 2.285 CV 1 OR { 196} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) ASSI { 198} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 2.800 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.35997E-02 ppm1 4.233 ppm2 2.635 CV 1 OR { 198} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG1 )) ASSI { 201} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 4.210 ppm2 7.825 CV 1 OR { 201} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 205} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 10 and name HD2%) 4.800 2.900 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.25023E-03 ppm1 6.874 ppm2 1.101 CV 1 OR { 205} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 48 and name HG2%) OR { 205} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 70 and name HG2%) ASSI { 209} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.800 2.800 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.26695E-03 ppm1 6.892 ppm2 0.884 CV 1 OR { 209} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 38 and name HD1%) ASSI { 224} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 74 and name HD1%) 5.300 3.500 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.89275E-04 ppm1 6.891 ppm2 1.061 CV 1 OR { 224} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 74 and name HD2%) OR { 224} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 10 and name HD1%) OR { 224} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 70 and name HG2%) ASSI { 225} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HG )) 4.600 2.700 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.30601E-03 ppm1 6.889 ppm2 0.978 CV 1 OR { 225} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 77 and name HD1%) ASSI { 228} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 10 and name HD1%) 5.200 3.400 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13061E-03 ppm1 7.340 ppm2 1.045 CV 1 OR { 228} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 31 and name HB2 )) ASSI { 229} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.300 2.300 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.38393E-03 ppm1 7.331 ppm2 0.883 CV 1 OR { 229} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 75 and name HD2%) ASSI { 230} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.700 1.700 1.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.64537E-03 ppm1 7.336 ppm2 1.378 CV 1 OR { 230} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HG1 )) ASSI { 231} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB2 )) 3.600 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.85048E-03 ppm1 7.335 ppm2 2.039 CV 1 OR { 231} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB1 )) OR { 231} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 71 and name HB2 )) ASSI { 241} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.100 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.16796E-02 ppm1 7.209 ppm2 0.890 CV 1 OR { 241} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 75 and name HD2%) ASSI { 242} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) 3.600 1.600 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.95760E-03 ppm1 7.208 ppm2 0.786 CV 1 OR { 242} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD1%) OR { 242} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 26 and name HD2%) ASSI { 245} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) 2.800 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.23820E-02 ppm1 7.210 ppm2 1.384 CV 1 OR { 245} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HG1 )) ASSI { 246} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 26 and name HG )) 4.900 3.000 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.25633E-03 ppm1 7.204 ppm2 1.566 CV 1 OR { 246} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HB2 )) OR { 246} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 75 and name HB2 )) ASSI { 248} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11853E-02 ppm1 7.208 ppm2 2.028 CV 1 OR { 248} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) OR { 248} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) ASSI { 252} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HB1 )) 4.300 2.300 1.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.62670E-03 ppm1 7.210 ppm2 3.300 CV 1 OR { 252} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 31 and name HA )) ASSI { 255} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HN )) 4.500 2.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.35987E-03 ppm1 7.209 ppm2 8.043 CV 1 OR { 255} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HN )) OR { 255} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HN )) OR { 255} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HN )) ASSI { 263} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 70 and name HG2%) 4.700 2.800 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.33281E-03 ppm1 7.103 ppm2 1.094 CV 1 OR { 263} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 74 and name HD1%) OR { 263} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 74 and name HD2%) ASSI { 265} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 74 and name HG )) 4.700 2.800 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.32652E-03 ppm1 7.103 ppm2 0.967 CV 1 OR { 265} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 77 and name HD1%) OR { 265} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 64 and name HG1%) OR { 265} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 77 and name HD2%) ASSI { 266} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.79924E-03 ppm1 7.107 ppm2 0.874 CV 1 OR { 266} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 14 and name HD2%) ASSI { 269} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HB2 )) 2.100 0.600 0.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.56077E-02 ppm1 6.965 ppm2 1.526 CV 1 OR { 269} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) OR { 269} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) ASSI { 273} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HG2%) 3.600 1.700 1.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.78423E-03 ppm1 6.966 ppm2 1.057 CV 1 OR { 273} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD1%) OR { 273} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 43 and name HD2%) OR { 273} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD2%) OR { 273} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 70 and name HG2%) ASSI { 277} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 45 and name HB2 )) 5.100 3.300 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.23325E-03 ppm1 6.918 ppm2 1.531 CV 1 OR { 277} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 38 and name HG12)) OR { 277} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 44 and name HB% ) OR { 277} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 49 and name HB% ) OR { 277} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 18 and name HB% ) ASSI { 279} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG1%) 4.200 2.200 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.10628E-02 ppm1 6.921 ppm2 1.126 CV 1 OR { 279} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 48 and name HG2%) OR { 279} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 10 and name HD2%) ASSI { 280} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HG )) 4.100 2.100 1.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.69508E-03 ppm1 6.923 ppm2 0.979 CV 1 OR { 280} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 77 and name HD1%) OR { 280} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 64 and name HG1%) ASSI { 281} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) 2.900 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.15492E-02 ppm1 6.922 ppm2 0.879 CV 1 OR { 281} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 284} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG11)) 4.400 2.400 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.34758E-03 ppm1 7.104 ppm2 1.836 CV 1 OR { 284} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 34 and name HB2 )) ASSI { 286} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG12)) 4.200 2.200 1.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.56409E-03 ppm1 7.111 ppm2 1.533 CV 1 OR { 286} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 45 and name HB2 )) ASSI { 288} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 68 and name HB )) 3.500 1.500 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.62038E-03 ppm1 6.921 ppm2 2.421 CV 1 OR { 288} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB1 )) ASSI { 289} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HB1 )) 4.600 2.700 1.400 peak 289 spectrum 1 weight 0.10000E+01 volume 0.24096E-03 ppm1 6.913 ppm2 2.249 CV 1 OR { 289} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 73 and name HB2 )) ASSI { 297} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HB )) 6.000 4.700 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.21299E-03 ppm1 7.108 ppm2 2.444 CV 1 OR { 297} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 74 and name HB1 )) ASSI { 298} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.74947E-03 ppm1 7.107 ppm2 2.777 CV 1 OR { 298} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HD2 )) ASSI { 304} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HD2 )) 4.900 3.000 1.100 peak 304 spectrum 1 weight 0.10000E+01 volume 0.35625E-03 ppm1 6.920 ppm2 2.782 CV 1 OR { 304} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 40 and name HB2 )) ASSI { 306} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HA )) 4.900 3.000 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.32363E-03 ppm1 7.107 ppm2 4.229 CV 1 OR { 306} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 24 and name HB )) ASSI { 307} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 4.100 2.200 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.91584E-03 ppm1 6.966 ppm2 4.378 CV 1 OR { 307} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 18 and name HA )) OR { 307} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 42 and name HB2 )) ASSI { 308} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 42 and name HA )) 4.900 3.000 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.46067E-03 ppm1 6.964 ppm2 4.265 CV 1 OR { 308} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 42 and name HA )) OR { 308} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 46 and name HA )) OR { 308} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 46 and name HA )) ASSI { 317} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HN )) 3.300 1.400 1.400 peak 317 spectrum 1 weight 0.10000E+01 volume 0.53311E-03 ppm1 6.965 ppm2 7.717 CV 1 OR { 317} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HN )) OR { 317} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 74 and name HN )) ASSI { 321} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.49398E-03 ppm1 6.965 ppm2 8.461 CV 1 OR { 321} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HN )) ASSI { 322} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HN )) 6.000 4.900 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16228E-03 ppm1 7.107 ppm2 7.721 CV 1 OR { 322} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 39 and name HN )) ASSI { 326} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HN )) 4.900 3.000 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.15145E-03 ppm1 6.923 ppm2 7.713 CV 1 OR { 326} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 38 and name HN )) ASSI { 328} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HN )) 5.300 3.500 0.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.15041E-03 ppm1 6.921 ppm2 8.486 CV 1 OR { 328} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 45 and name HN )) ASSI { 331} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HG1 )) 3.700 1.700 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.70309E-03 ppm1 7.300 ppm2 1.386 CV 1 OR { 331} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 7 and name HG2%) OR { 331} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 33 and name HB2 )) ASSI { 333} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 10 and name HD1%) 4.200 2.200 1.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.95138E-03 ppm1 7.302 ppm2 1.054 CV 1 OR { 333} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HB2 )) OR { 333} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) OR { 333} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 333} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 70 and name HG2%) ASSI { 334} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) 3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 7.301 ppm2 0.882 CV 1 OR { 334} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) ASSI { 335} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) 3.800 1.800 1.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.97004E-03 ppm1 7.302 ppm2 0.790 CV 1 OR { 335} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) ASSI { 338} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD2%) 3.100 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.28260E-02 ppm1 7.436 ppm2 1.014 CV 1 OR { 338} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) ASSI { 339} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HG2%) 3.800 1.800 1.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.11067E-02 ppm1 7.438 ppm2 0.876 CV 1 OR { 339} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) ASSI { 343} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG1 )) 3.400 1.400 1.400 peak 343 spectrum 1 weight 0.10000E+01 volume 0.72689E-03 ppm1 7.436 ppm2 1.375 CV 1 OR { 343} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB2 )) ASSI { 351} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HB1 )) 2.400 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.47145E-02 ppm1 7.301 ppm2 3.295 CV 1 OR { 351} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HA )) ASSI { 355} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 53 and name HA )) 4.400 2.400 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.47517E-03 ppm1 7.437 ppm2 4.094 CV 1 OR { 355} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HA )) OR { 355} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA2 )) OR { 355} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA1 )) ASSI { 357} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HA )) 3.800 1.800 1.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.34710E-03 ppm1 7.302 ppm2 4.354 CV 1 OR { 357} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 35 and name HA )) ASSI { 365} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG1 )) 3.200 1.300 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.15883E-02 ppm1 6.808 ppm2 1.374 CV 1 OR { 365} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB2 )) ASSI { 368} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD1%) 3.800 1.800 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 6.807 ppm2 0.862 CV 1 OR { 368} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 78 and name HG2%) ASSI { 369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) 2.900 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 6.753 ppm2 0.866 CV 1 OR { 369} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD2%) ASSI { 375} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 44 and name HB% ) 2.600 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.47095E-02 ppm1 6.756 ppm2 1.531 CV 1 OR { 375} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HB2 )) OR { 375} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 18 and name HB% ) ASSI { 377} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB1 )) 3.300 3.300 2.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.56163E-03 ppm1 6.755 ppm2 1.988 CV 1 OR { 377} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 51 and name HG1 )) ASSI { 384} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB2 )) 4.300 2.300 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.69366E-03 ppm1 6.758 ppm2 2.772 CV 1 OR { 384} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 46 and name HG2 )) ASSI { 385} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HB2 )) 3.400 3.400 2.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.43712E-03 ppm1 6.809 ppm2 2.691 CV 1 OR { 385} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 76 and name HB2 )) ASSI { 386} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HB )) 3.500 1.500 1.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.47835E-03 ppm1 6.753 ppm2 2.454 CV 1 OR { 386} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 47 and name HG2 )) ASSI { 389} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HA )) 3.600 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12256E-02 ppm1 6.757 ppm2 4.387 CV 1 OR { 389} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 48 and name HB )) OR { 389} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) ASSI { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 24 and name HB )) 4.100 2.100 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.52694E-03 ppm1 6.758 ppm2 4.256 CV 1 OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 24 and name HB )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 42 and name HA )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 42 and name HA )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 46 and name HA )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 46 and name HA )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 71 and name HA )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 71 and name HA )) OR { 390} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 47 and name HA )) ASSI { 396} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 17 and name HB2 )) 4.100 2.100 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.53303E-03 ppm1 6.758 ppm2 4.067 CV 1 OR { 396} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 23 and name HA1 )) ASSI { 398} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) 3.700 1.700 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.88685E-03 ppm1 6.755 ppm2 8.465 CV 1 OR { 398} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 47 and name HN )) ASSI { 404} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.100 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.11888E-01 ppm1 0.852 ppm2 1.052 CV 1 OR { 404} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 60 and name HG2%) ASSI { 405} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 77 and name HD1%) 2.500 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.73529E-02 ppm1 0.840 ppm2 0.960 CV 1 OR { 405} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 64 and name HG1%) OR { 405} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 77 and name HD2%) OR { 405} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 58 and name HG2%) ASSI { 410} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 24 and name HG2%) 2.800 1.000 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18968E-02 ppm1 0.868 ppm2 1.292 CV 1 OR { 410} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG2 )) ASSI { 412} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 26 and name HB2 )) 3.700 1.700 1.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.81938E-03 ppm1 0.868 ppm2 1.227 CV 1 OR { 412} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 68 and name HG2%) ASSI { 415} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG1 )) 3.400 1.500 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 0.850 ppm2 2.189 CV 1 OR { 415} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 64 and name HB )) OR { 415} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 34 and name HB1 )) ASSI { 417} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) 3.400 1.400 1.400 peak 417 spectrum 1 weight 0.10000E+01 volume 0.14447E-02 ppm1 0.860 ppm2 2.779 CV 1 OR { 417} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) OR { 417} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HD2 )) ASSI { 419} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 0.865 ppm2 3.010 CV 1 OR { 419} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB2 )) ASSI { 423} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 65 and name HA )) 3.500 1.500 1.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.23491E-02 ppm1 0.839 ppm2 3.959 CV 1 OR { 423} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 425} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.700 2.700 1.300 peak 425 spectrum 1 weight 0.10000E+01 volume 0.53430E-03 ppm1 0.856 ppm2 3.583 CV 1 OR { 425} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD2 )) ASSI { 428} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HN )) 4.500 2.600 1.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.49793E-03 ppm1 0.863 ppm2 8.468 CV 1 OR { 428} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 45 and name HN )) ASSI { 433} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.100 2.100 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.17559E-02 ppm1 0.868 ppm2 7.711 CV 1 OR { 433} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 438} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HN )) 4.500 2.500 1.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.51720E-03 ppm1 1.520 ppm2 8.100 CV 1 OR { 438} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 60 and name HN )) ASSI { 448} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.37518E-02 ppm1 1.522 ppm2 4.258 CV 1 OR { 448} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) OR { 448} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HA )) ASSI { 454} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HA )) 2.900 1.100 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.31759E-02 ppm1 1.023 ppm2 3.996 CV 1 OR { 454} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD1 )) ASSI { 455} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 78 and name HA )) 4.800 2.900 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.58106E-03 ppm1 1.025 ppm2 3.743 CV 1 OR { 455} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 457} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.96234E-03 ppm1 0.867 ppm2 2.772 CV 1 OR { 457} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 53 and name HG1 )) OR { 457} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) ASSI { 458} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HA )) 4.700 2.800 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.45468E-03 ppm1 0.871 ppm2 4.501 CV 1 OR { 458} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 76 and name HA )) ASSI { 459} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) 4.200 2.200 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.50577E-03 ppm1 1.524 ppm2 2.335 CV 1 OR { 459} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HB2 )) OR { 459} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB1 )) ASSI { 460} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB1 )) 4.100 2.100 1.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.14467E-02 ppm1 1.523 ppm2 2.190 CV 1 OR { 460} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) OR { 460} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 64 and name HB )) ASSI { 474} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB2 )) 4.100 2.200 1.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.71079E-03 ppm1 1.022 ppm2 2.076 CV 1 OR { 474} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 67 and name HB1 )) ASSI { 477} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 81 and name HB% ) 3.800 1.800 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.14864E-02 ppm1 1.025 ppm2 1.617 CV 1 OR { 477} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 45 and name HB1 )) ASSI { 478} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) 2.900 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 1.023 ppm2 1.502 CV 1 OR { 478} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 49 and name HB% ) ASSI { 483} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 82 and name HD1%) 2.100 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.12370E-01 ppm1 0.867 ppm2 0.984 CV 1 OR { 483} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 82 and name HD2%) OR { 483} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 58 and name HG2%) ASSI { 487} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.800 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.39344E-02 ppm1 1.521 ppm2 1.033 CV 1 OR { 487} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD2%) ASSI { 488} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HD1%) 3.300 1.400 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.18958E-02 ppm1 1.521 ppm2 0.840 CV 1 OR { 488} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD1%) ASSI { 500} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 83 and name HN )) 5.600 3.900 0.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.17171E-03 ppm1 1.619 ppm2 7.959 CV 1 OR { 500} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 57 and name HN )) ASSI { 506} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) 2.600 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.44366E-02 ppm1 1.668 ppm2 8.396 CV 1 OR { 506} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HN )) ASSI { 521} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.32715E-02 ppm1 1.520 ppm2 4.585 CV 1 OR { 521} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HA )) ASSI { 526} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HA )) 2.000 0.500 0.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.20285E-01 ppm1 1.648 ppm2 4.239 CV 1 OR { 526} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) ASSI { 528} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HA )) 4.200 2.200 1.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.61866E-03 ppm1 1.667 ppm2 3.944 CV 1 OR { 528} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HA )) OR { 528} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 15 and name HA )) ASSI { 532} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB2 )) 3.200 1.300 1.300 peak 532 spectrum 1 weight 0.10000E+01 volume 0.17360E-02 ppm1 1.521 ppm2 2.769 CV 1 OR { 532} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 46 and name HG2 )) ASSI { 536} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 64 and name HG1%) 3.300 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.40318E-02 ppm1 1.381 ppm2 0.972 CV 1 OR { 536} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 77 and name HD1%) OR { 536} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 74 and name HG )) ASSI { 539} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.82541E-02 ppm1 1.624 ppm2 0.959 CV 1 OR { 539} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD2%) OR { 539} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 540} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 48 and name HG2%) 2.800 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.43495E-02 ppm1 1.668 ppm2 1.133 CV 1 OR { 540} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD2%) OR { 540} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 15 and name HG2%) ASSI { 543} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HG )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.43393E-02 ppm1 1.667 ppm2 2.027 CV 1 OR { 543} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB2 )) OR { 543} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HB1 )) ASSI { 553} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 10 and name HG )) 3.700 1.700 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.17800E-02 ppm1 1.666 ppm2 1.869 CV 1 OR { 553} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HG )) OR { 553} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 55 and name HB1 )) ASSI { 565} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HN )) 4.100 2.100 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.10258E-02 ppm1 0.917 ppm2 8.120 CV 1 OR { 565} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HN )) ASSI { 566} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HN )) 3.700 1.700 1.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.72657E-03 ppm1 0.917 ppm2 7.962 CV 1 OR { 566} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 83 and name HN )) ASSI { 567} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.35731E-02 ppm1 1.055 ppm2 7.712 CV 1 OR { 567} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 579} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.54293E-02 ppm1 0.918 ppm2 4.086 CV 1 OR { 579} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HA1 )) OR { 579} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HA2 )) ASSI { 580} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 580 spectrum 1 weight 0.10000E+01 volume 0.17924E-02 ppm1 0.919 ppm2 3.744 CV 1 OR { 580} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HB2 )) ASSI { 588} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 2.700 0.900 0.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.33604E-02 ppm1 1.568 ppm2 4.212 CV 1 OR { 588} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HA )) ASSI { 595} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG1 )) 3.100 1.200 1.200 peak 595 spectrum 1 weight 0.10000E+01 volume 0.27336E-02 ppm1 0.919 ppm2 2.774 CV 1 OR { 595} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB2 )) ASSI { 609} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HG11)) 3.800 1.800 1.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.16042E-02 ppm1 0.917 ppm2 1.491 CV 1 OR { 609} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 86 and name HB% ) ASSI { 610} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) 3.300 1.400 1.400 peak 610 spectrum 1 weight 0.10000E+01 volume 0.11195E-02 ppm1 1.057 ppm2 3.092 CV 1 OR { 610} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HB2 )) ASSI { 611} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.97421E-03 ppm1 1.054 ppm2 2.992 CV 1 OR { 611} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) OR { 611} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HB2 )) ASSI { 612} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 5.000 3.100 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.66480E-03 ppm1 1.055 ppm2 6.950 CV 1 OR { 612} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 35 and name HE% ) ASSI { 615} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.700 1.700 1.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.12916E-02 ppm1 1.124 ppm2 8.395 CV 1 OR { 615} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) ASSI { 623} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.10244E-01 ppm1 1.540 ppm2 7.839 CV 1 OR { 623} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 625} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 20 and name HN )) 4.000 2.000 2.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 1.540 ppm2 8.471 CV 1 OR { 625} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 23 and name HN )) OR { 625} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HN )) ASSI { 626} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HA )) 4.300 2.400 1.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.58544E-03 ppm1 1.540 ppm2 4.568 CV 1 OR { 626} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 40 and name HA )) ASSI { 632} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 52 and name HD1%) 2.400 0.700 0.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.85427E-02 ppm1 1.124 ppm2 0.865 CV 1 OR { 632} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD2%) ASSI { 635} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HG )) 2.600 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.60735E-02 ppm1 1.215 ppm2 0.951 CV 1 OR { 635} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 77 and name HD1%) OR { 635} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 64 and name HG1%) ASSI { 636} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD2%) 2.800 1.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.39970E-02 ppm1 1.642 ppm2 0.980 CV 1 OR { 636} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 637} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HG )) 2.700 0.900 0.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.28597E-02 ppm1 1.124 ppm2 2.024 CV 1 OR { 637} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 638} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HG )) 2.700 2.700 3.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.28842E-02 ppm1 1.125 ppm2 1.880 CV 1 OR { 638} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 10 and name HG )) ASSI { 639} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 13 and name HB% ) 2.500 0.800 0.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.66346E-02 ppm1 1.125 ppm2 1.667 CV 1 OR { 639} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 50 and name HB% ) ASSI { 644} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB1 )) 3.500 1.500 1.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.13993E-02 ppm1 1.124 ppm2 2.199 CV 1 OR { 644} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HB1 )) OR { 644} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 71 and name HG1 )) ASSI { 646} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 0.971 ppm2 3.978 CV 1 OR { 646} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 648} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.71028E-02 ppm1 1.125 ppm2 3.954 CV 1 OR { 648} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 652} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HA )) 2.100 0.500 0.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10294E-01 ppm1 1.125 ppm2 4.403 CV 1 OR { 652} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) ASSI { 656} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.17832E-02 ppm1 1.216 ppm2 7.458 CV 1 OR { 656} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HN )) ASSI { 663} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HN )) 4.400 2.400 1.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.41547E-03 ppm1 1.216 ppm2 8.012 CV 1 OR { 663} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HN )) ASSI { 673} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 52 and name HD1%) 3.100 1.200 1.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.24463E-02 ppm1 1.064 ppm2 0.853 CV 1 OR { 673} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 60 and name HD1%) OR { 673} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 52 and name HD1%) OR { 673} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 78 and name HG2%) OR { 673} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 60 and name HD1%) OR { 673} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 78 and name HG2%) ASSI { 688} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HB1 )) 3.800 1.800 1.800 peak 688 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 1.078 ppm2 2.172 CV 1 OR { 688} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HG1 )) ASSI { 693} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB2 )) 4.000 2.000 2.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.87909E-03 ppm1 1.412 ppm2 2.705 CV 1 OR { 693} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB2 )) OR { 693} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB1 )) ASSI { 705} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.500 1.500 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.14588E-02 ppm1 0.968 ppm2 2.782 CV 1 OR { 705} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HG1 )) ASSI { 707} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 1.034 ppm2 4.203 CV 1 OR { 707} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 24 and name HB )) ASSI { 708} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 23 and name HA1 )) 3.400 1.500 1.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.18994E-02 ppm1 1.034 ppm2 4.048 CV 1 OR { 708} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) OR { 708} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 23 and name HA2 )) ASSI { 721} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.55230E-02 ppm1 0.969 ppm2 4.682 CV 1 OR { 721} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HA )) ASSI { 749} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.43127E-03 ppm1 1.078 ppm2 7.212 CV 1 OR { 749} ( segid " " and resid 70 and name HG2%) ( segid " " and resid 30 and name HE% ) ASSI { 756} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.67019E-03 ppm1 1.276 ppm2 8.458 CV 1 OR { 756} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 15 and name HN )) ASSI { 760} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.500 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 1.033 ppm2 8.453 CV 1 OR { 760} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 26 and name HN )) ASSI { 761} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 49 and name HN )) 4.100 2.100 1.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.56454E-03 ppm1 1.064 ppm2 8.741 CV 1 OR { 761} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HN )) OR { 761} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 762} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HN )) 3.900 1.900 1.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.84279E-03 ppm1 1.076 ppm2 9.076 CV 1 OR { 762} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HE )) ASSI { 768} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) 3.500 1.500 1.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.23624E-02 ppm1 1.034 ppm2 8.219 CV 1 OR { 768} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) ASSI { 791} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HG )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.18672E-02 ppm1 0.354 ppm2 0.978 CV 1 OR { 791} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 77 and name HD1%) OR { 791} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 64 and name HG1%) ASSI { 793} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 10 and name HD1%) 3.100 1.200 1.200 peak 793 spectrum 1 weight 0.10000E+01 volume 0.29099E-02 ppm1 0.757 ppm2 1.026 CV 1 OR { 793} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 15 and name HG1%) OR { 793} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 52 and name HD2%) ASSI { 799} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 13 and name HB% ) 4.100 2.100 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 0.757 ppm2 1.662 CV 1 OR { 799} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 50 and name HB% ) ASSI { 801} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD1%) 2.500 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.60302E-02 ppm1 1.036 ppm2 0.627 CV 1 OR { 801} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD2%) OR { 801} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 5 and name HD1%) ASSI { 802} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 75 and name HD2%) 3.300 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.21692E-02 ppm1 1.380 ppm2 0.870 CV 1 OR { 802} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 14 and name HD2%) ASSI { 804} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 52 and name HD1%) 2.100 0.500 0.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.16973E-01 ppm1 1.041 ppm2 0.859 CV 1 OR { 804} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 52 and name HD1%) ASSI { 805} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 75 and name HD1%) 2.600 0.900 0.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.86613E-02 ppm1 1.038 ppm2 0.790 CV 1 OR { 805} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HD1%) OR { 805} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 31 and name HD2%) OR { 805} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 78 and name HD1%) ASSI { 809} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 77 and name HD1%) 2.100 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.84003E-02 ppm1 1.133 ppm2 0.952 CV 1 OR { 809} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 64 and name HG1%) OR { 809} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 77 and name HD2%) ASSI { 810} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HD1%) 2.400 0.700 0.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.61037E-02 ppm1 0.689 ppm2 0.881 CV 1 OR { 810} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 14 and name HD2%) ASSI { 816} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 13 and name HB% ) 2.200 0.600 0.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11375E-01 ppm1 1.039 ppm2 1.670 CV 1 OR { 816} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 13 and name HB% ) ASSI { 817} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.68071E-02 ppm1 1.041 ppm2 1.557 CV 1 OR { 817} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 817} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 5 and name HB1 )) OR { 817} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 5 and name HG )) ASSI { 818} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB2 )) 2.900 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.45713E-02 ppm1 1.036 ppm2 1.448 CV 1 OR { 818} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HB2 )) ASSI { 819} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 7 and name HG2%) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21014E-02 ppm1 1.036 ppm2 1.402 CV 1 OR { 819} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name HG1 )) ASSI { 823} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10156E-01 ppm1 1.065 ppm2 1.702 CV 1 OR { 823} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HG11)) OR { 823} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 824} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HB1 )) 3.700 1.700 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.29560E-02 ppm1 1.110 ppm2 1.449 CV 1 OR { 824} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB2 )) ASSI { 828} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.34078E-02 ppm1 1.037 ppm2 2.217 CV 1 OR { 828} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HB1 )) ASSI { 834} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name HA )) 3.400 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 0.354 ppm2 4.269 CV 1 OR { 834} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HA )) ASSI { 835} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 2.200 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.76858E-02 ppm1 0.758 ppm2 4.397 CV 1 OR { 835} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HB )) ASSI { 838} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 13 and name HA )) 3.300 1.300 1.300 peak 838 spectrum 1 weight 0.10000E+01 volume 0.14929E-02 ppm1 1.037 ppm2 4.404 CV 1 OR { 838} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HA )) OR { 838} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 48 and name HB )) OR { 838} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HA )) OR { 838} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 54 and name HA )) ASSI { 839} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.86254E-02 ppm1 0.881 ppm2 4.360 CV 1 OR { 839} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 3 and name HA )) ASSI { 841} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.300 0.700 0.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.11083E-01 ppm1 1.042 ppm2 4.210 CV 1 OR { 841} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 10 and name HA )) OR { 841} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 842} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HA )) 3.500 1.500 1.500 peak 842 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 1.042 ppm2 3.890 CV 1 OR { 842} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 7 and name HA )) ASSI { 856} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.21099E-02 ppm1 1.132 ppm2 7.466 CV 1 OR { 856} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 70 and name HN )) ASSI { 860} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HD% ) 3.100 1.200 1.200 peak 860 spectrum 1 weight 0.10000E+01 volume 0.12827E-02 ppm1 0.204 ppm2 6.946 CV 1 OR { 860} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 863} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HN )) 3.400 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.21413E-02 ppm1 1.038 ppm2 8.398 CV 1 OR { 863} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HN )) ASSI { 865} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HN )) 3.900 1.900 1.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.15919E-02 ppm1 1.041 ppm2 8.066 CV 1 OR { 865} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HN )) ASSI { 868} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.100 0.600 0.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.10392E-01 ppm1 1.110 ppm2 8.449 CV 1 OR { 868} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HN )) ASSI { 869} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.900 1.900 1.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17798E-02 ppm1 1.110 ppm2 8.224 CV 1 OR { 869} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 27 and name HN )) ASSI { 870} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.26015E-02 ppm1 1.381 ppm2 8.829 CV 1 OR { 870} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) ASSI { 873} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HN )) 4.400 2.500 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.98242E-03 ppm1 0.354 ppm2 8.465 CV 1 OR { 873} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 47 and name HN )) ASSI { 874} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HN )) 4.500 2.600 1.500 peak 874 spectrum 1 weight 0.10000E+01 volume 0.76537E-03 ppm1 0.202 ppm2 8.463 CV 1 OR { 874} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 47 and name HN )) ASSI { 878} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HN )) 4.300 2.300 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.63972E-03 ppm1 0.880 ppm2 8.274 CV 1 OR { 878} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 888} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 13 and name HN )) 3.600 1.600 1.600 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 1.038 ppm2 7.702 CV 1 OR { 888} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 74 and name HN )) OR { 888} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HN )) ASSI { 891} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HN )) 4.600 2.700 1.400 peak 891 spectrum 1 weight 0.10000E+01 volume 0.48840E-03 ppm1 1.132 ppm2 8.012 CV 1 OR { 891} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 66 and name HN )) ASSI { 893} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.90718E-03 ppm1 0.688 ppm2 7.202 CV 1 OR { 893} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 894} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HD% ) 4.400 2.500 1.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.55995E-03 ppm1 0.688 ppm2 6.947 CV 1 OR { 894} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 911} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 1.066 ppm2 3.954 CV 1 OR { 911} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 49 and name HA )) OR { 911} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 65 and name HA )) ASSI { 913} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 68 and name HB )) 4.200 2.300 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.48700E-03 ppm1 0.206 ppm2 2.415 CV 1 OR { 913} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 914} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.900 1.900 1.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.65986E-03 ppm1 0.205 ppm2 3.014 CV 1 OR { 914} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 69 and name HB1 )) ASSI { 915} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) 4.000 2.000 2.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.75280E-03 ppm1 0.206 ppm2 2.762 CV 1 OR { 915} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HG2 )) ASSI { 921} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HD2 )) 3.100 1.200 1.200 peak 921 spectrum 1 weight 0.10000E+01 volume 0.12139E-02 ppm1 1.039 ppm2 3.020 CV 1 OR { 921} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 9 and name HB1 )) ASSI { 929} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.41277E-03 ppm1 0.453 ppm2 8.711 CV 1 OR { 929} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 930} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 66 and name HA2 )) 2.900 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.28087E-02 ppm1 0.356 ppm2 3.884 CV 1 OR { 930} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HA )) ASSI { 931} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 48 and name HB )) 4.700 2.700 1.300 peak 931 spectrum 1 weight 0.10000E+01 volume 0.66192E-03 ppm1 0.355 ppm2 4.395 CV 1 OR { 931} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HA )) OR { 931} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 935} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB1 )) 4.300 2.300 1.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.88294E-03 ppm1 0.690 ppm2 1.986 CV 1 OR { 935} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 71 and name HB2 )) ASSI { 940} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HN )) 4.200 2.200 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.96478E-03 ppm1 0.791 ppm2 8.716 CV 1 OR { 940} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 942} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 57 and name HN )) 4.400 2.400 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.67718E-03 ppm1 0.984 ppm2 7.958 CV 1 OR { 942} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 83 and name HN )) ASSI { 944} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HD21)) 2.900 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.33273E-02 ppm1 0.791 ppm2 7.322 CV 1 OR { 944} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 30 and name HD% ) ASSI { 947} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HN )) 4.200 2.300 1.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.61529E-03 ppm1 0.454 ppm2 8.050 CV 1 OR { 947} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) ASSI { 952} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH21)) 4.800 2.900 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.53235E-03 ppm1 0.457 ppm2 6.899 CV 1 OR { 952} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 35 and name HE% ) OR { 952} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 35 and name HZ )) OR { 952} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH11)) OR { 952} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH22)) ASSI { 957} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 6 and name HA )) 4.100 2.100 1.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.32971E-03 ppm1 0.791 ppm2 4.766 CV 1 OR { 957} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 30 and name HA )) ASSI { 958} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HA )) 4.600 2.700 1.400 peak 958 spectrum 1 weight 0.10000E+01 volume 0.49374E-03 ppm1 0.791 ppm2 4.505 CV 1 OR { 958} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 960} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HA )) 3.900 1.900 1.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.59003E-03 ppm1 0.791 ppm2 4.221 CV 1 OR { 960} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HA )) OR { 960} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 73 and name HA )) OR { 960} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 73 and name HA )) OR { 960} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 962} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HA )) 3.500 1.500 1.500 peak 962 spectrum 1 weight 0.10000E+01 volume 0.10382E-02 ppm1 0.454 ppm2 3.869 CV 1 OR { 962} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 976} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 3.900 1.900 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.14596E-02 ppm1 0.455 ppm2 1.872 CV 1 OR { 976} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 977} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 78 and name HB )) 3.500 1.500 1.500 peak 977 spectrum 1 weight 0.10000E+01 volume 0.88082E-03 ppm1 0.793 ppm2 1.909 CV 1 OR { 977} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HG )) OR { 977} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 10 and name HG )) ASSI { 979} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.94079E-02 ppm1 0.791 ppm2 1.560 CV 1 OR { 979} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB1 )) OR { 979} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 980} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.200 0.600 0.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.38774E-02 ppm1 0.792 ppm2 1.370 CV 1 OR { 980} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 7 and name HG2%) ASSI { 981} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 0.455 ppm2 1.629 CV 1 OR { 981} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 988} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 75 and name HD2%) 2.600 0.900 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.48235E-02 ppm1 0.454 ppm2 0.880 CV 1 OR { 988} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 14 and name HD2%) ASSI { 993} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 10 and name HD2%) 2.800 1.000 1.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.26870E-02 ppm1 0.791 ppm2 1.132 CV 1 OR { 993} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 10 and name HD2%) ASSI { 994} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 10 and name HD1%) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.26598E-02 ppm1 0.792 ppm2 1.066 CV 1 OR { 994} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 10 and name HD1%) OR { 994} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 74 and name HD2%) OR { 994} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 996} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.68238E-02 ppm1 0.983 ppm2 1.556 CV 1 OR { 996} ( segid " " and resid 82 and name HD2%) ( segid " " and resid 85 and name HB% ) ASSI { 1013} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.500 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.54257E-02 ppm1 0.605 ppm2 1.035 CV 1 OR { 1013} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 1016} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD1%) 2.400 0.700 0.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.58626E-02 ppm1 0.604 ppm2 0.870 CV 1 OR { 1016} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HG2%) ASSI { 1017} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD1%) 2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.70559E-02 ppm1 0.643 ppm2 0.848 CV 1 OR { 1017} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 78 and name HG2%) ASSI { 1018} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HD1%) 2.500 0.800 0.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.48615E-02 ppm1 0.604 ppm2 0.799 CV 1 OR { 1018} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 75 and name HD1%) ASSI { 1019} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.49201E-02 ppm1 0.779 ppm2 1.627 CV 1 OR { 1019} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB2 )) ASSI { 1022} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.51391E-02 ppm1 0.978 ppm2 1.554 CV 1 OR { 1022} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 1030} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 78 and name HB )) 3.900 1.900 1.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.96696E-03 ppm1 0.642 ppm2 1.926 CV 1 OR { 1030} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 55 and name HB1 )) ASSI { 1034} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.91167E-03 ppm1 0.642 ppm2 4.216 CV 1 OR { 1034} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 82 and name HA )) ASSI { 1036} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB1 )) 3.100 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.20567E-02 ppm1 0.643 ppm2 3.035 CV 1 OR { 1036} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 55 and name HD2 )) ASSI { 1038} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 80 and name HA2 )) 3.200 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.15030E-02 ppm1 0.952 ppm2 4.005 CV 1 OR { 1038} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HA1 )) OR { 1038} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 61 and name HD1 )) OR { 1038} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 80 and name HA1 )) ASSI { 1041} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.17451E-02 ppm1 0.977 ppm2 4.211 CV 1 OR { 1041} (( segid " " and resid 74 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 1045} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH21)) 3.800 1.800 1.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 0.776 ppm2 6.893 CV 1 OR { 1045} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH22)) OR { 1045} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH11)) OR { 1045} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH12)) OR { 1045} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 1046} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HN )) 3.400 1.400 1.400 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.77589E-03 ppm1 0.795 ppm2 8.448 CV 1 OR { 1046} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 15 and name HN )) ASSI { 1056} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 32 and name HN )) 3.300 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.46079E-03 ppm1 1.055 ppm2 8.041 CV 1 OR { 1056} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HN )) ASSI { 1061} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HN )) 4.000 2.000 2.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.75678E-03 ppm1 0.642 ppm2 8.059 CV 1 OR { 1061} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 55 and name HN )) ASSI { 1062} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HN )) 4.300 2.300 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.57826E-03 ppm1 0.602 ppm2 8.062 CV 1 OR { 1062} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 55 and name HN )) OR { 1062} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 54 and name HN )) ASSI { 1069} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) 4.700 2.700 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.48092E-03 ppm1 0.801 ppm2 7.311 CV 1 OR { 1069} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 11 and name HE )) ASSI { 1075} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HA )) 3.700 1.700 1.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.86043E-03 ppm1 0.607 ppm2 4.215 CV 1 OR { 1075} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 1082} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB1 )) 2.700 2.700 3.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.17681E-02 ppm1 1.060 ppm2 3.293 CV 1 OR { 1082} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 31 and name HA )) ASSI { 1083} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 32 and name HB1 )) 2.900 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 1.059 ppm2 3.004 CV 1 OR { 1083} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB2 )) OR { 1083} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 37 and name HB2 )) ASSI { 1095} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD21)) 3.700 1.700 1.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.23286E-02 ppm1 0.873 ppm2 7.321 CV 1 OR { 1095} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HD21)) ASSI { 1096} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HN )) 4.000 2.000 2.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.15154E-02 ppm1 0.886 ppm2 8.397 CV 1 OR { 1096} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HN )) ASSI { 1098} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 78 and name HN )) 4.800 2.900 1.200 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.35058E-03 ppm1 0.866 ppm2 8.263 CV 1 OR { 1098} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 78 and name HN )) OR { 1098} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 82 and name HN )) ASSI { 1099} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HN )) 4.200 2.200 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.58961E-03 ppm1 0.865 ppm2 8.084 CV 1 OR { 1099} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HN )) OR { 1099} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HN )) ASSI { 1102} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HN )) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.76666E-03 ppm1 0.869 ppm2 8.854 CV 1 OR { 1102} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HN )) OR { 1102} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 1103} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HN )) 3.100 1.200 1.200 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.27618E-02 ppm1 0.871 ppm2 8.717 CV 1 OR { 1103} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 1107} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HN )) 4.600 2.700 1.400 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.52271E-03 ppm1 0.977 ppm2 8.735 CV 1 OR { 1107} (( segid " " and resid 74 and name HG )) (( segid " " and resid 49 and name HN )) ASSI { 1111} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.40977E-02 ppm1 1.712 ppm2 8.145 CV 1 OR { 1111} (( segid " " and resid 43 and name HG )) (( segid " " and resid 44 and name HN )) ASSI { 1112} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HN )) 3.800 1.800 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.18377E-02 ppm1 1.578 ppm2 8.460 CV 1 OR { 1112} (( segid " " and resid 26 and name HG )) (( segid " " and resid 15 and name HN )) ASSI { 1113} (( segid " " and resid 75 and name HG )) (( segid " " and resid 76 and name HN )) 4.000 2.000 2.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.83317E-03 ppm1 1.685 ppm2 8.717 CV 1 OR { 1113} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) ASSI { 1115} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.36936E-02 ppm1 1.836 ppm2 8.275 CV 1 OR { 1115} (( segid " " and resid 77 and name HG )) (( segid " " and resid 78 and name HN )) ASSI { 1119} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HN )) 3.100 1.200 1.200 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.32732E-02 ppm1 1.826 ppm2 7.713 CV 1 OR { 1119} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HN )) ASSI { 1120} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 2.200 0.600 0.600 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.35211E-02 ppm1 1.537 ppm2 7.713 CV 1 OR { 1120} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 39 and name HN )) ASSI { 1133} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE )) 3.600 1.600 1.600 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.86838E-03 ppm1 1.166 ppm2 7.320 CV 1 OR { 1133} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 30 and name HZ )) ASSI { 1144} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HA )) 3.500 1.600 1.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.10984E-02 ppm1 1.346 ppm2 4.268 CV 1 OR { 1144} (( segid " " and resid 45 and name HG )) (( segid " " and resid 42 and name HA )) ASSI { 1146} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HA )) 3.300 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 1.346 ppm2 3.883 CV 1 OR { 1146} (( segid " " and resid 45 and name HG )) (( segid " " and resid 66 and name HA2 )) ASSI { 1150} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) 4.100 2.100 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 0.891 ppm2 4.389 CV 1 OR { 1150} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HA )) OR { 1150} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 26 and name HA )) ASSI { 1151} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.87653E-03 ppm1 0.892 ppm2 4.219 CV 1 OR { 1151} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 24 and name HB )) ASSI { 1154} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.14087E-02 ppm1 0.868 ppm2 4.213 CV 1 OR { 1154} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HA )) ASSI { 1156} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HA )) 3.300 1.400 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.33501E-02 ppm1 0.870 ppm2 3.888 CV 1 OR { 1156} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 1162} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) 4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.68372E-03 ppm1 1.825 ppm2 4.668 CV 1 OR { 1162} (( segid " " and resid 82 and name HG )) (( segid " " and resid 56 and name HA )) ASSI { 1164} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.28748E-02 ppm1 1.826 ppm2 4.371 CV 1 OR { 1164} (( segid " " and resid 82 and name HG )) (( segid " " and resid 4 and name HA )) ASSI { 1165} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.200 1.300 1.300 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.23990E-02 ppm1 1.708 ppm2 4.357 CV 1 OR { 1165} (( segid " " and resid 4 and name HG )) (( segid " " and resid 3 and name HA )) ASSI { 1170} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HA )) 3.500 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.10117E-02 ppm1 1.881 ppm2 4.392 CV 1 OR { 1170} (( segid " " and resid 14 and name HG )) (( segid " " and resid 18 and name HA )) OR { 1170} (( segid " " and resid 14 and name HG )) (( segid " " and resid 48 and name HB )) ASSI { 1171} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.21408E-02 ppm1 1.822 ppm2 4.264 CV 1 OR { 1171} (( segid " " and resid 77 and name HG )) (( segid " " and resid 73 and name HA )) ASSI { 1176} (( segid " " and resid 52 and name HG )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.70264E-03 ppm1 2.035 ppm2 3.950 CV 1 OR { 1176} (( segid " " and resid 52 and name HG )) (( segid " " and resid 48 and name HA )) ASSI { 1178} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 30 and name HB1 )) 4.500 2.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 2.171 ppm2 3.305 CV 1 OR { 1178} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HA )) ASSI { 1181} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HB1 )) 4.500 2.600 1.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.77628E-03 ppm1 1.828 ppm2 3.010 CV 1 OR { 1181} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 37 and name HB2 )) ASSI { 1182} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HB )) 2.500 0.800 0.800 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.27759E-02 ppm1 1.826 ppm2 2.456 CV 1 OR { 1182} (( segid " " and resid 77 and name HG )) (( segid " " and resid 73 and name HB1 )) ASSI { 1196} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 30 and name HB1 )) 3.600 1.700 1.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.67442E-03 ppm1 1.295 ppm2 3.304 CV 1 OR { 1196} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 31 and name HA )) ASSI { 1199} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.10067E-02 ppm1 0.871 ppm2 2.760 CV 1 OR { 1199} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HB2 )) OR { 1199} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 56 and name HB2 )) ASSI { 1202} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB1 )) 2.200 0.600 0.600 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.11366E-01 ppm1 0.869 ppm2 2.199 CV 1 OR { 1202} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB1 )) ASSI { 1207} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB1 )) 2.400 0.700 0.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.94034E-02 ppm1 1.825 ppm2 2.027 CV 1 OR { 1207} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB1 )) ASSI { 1208} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.19622E-02 ppm1 2.032 ppm2 2.217 CV 1 OR { 1208} (( segid " " and resid 52 and name HG )) (( segid " " and resid 51 and name HB1 )) ASSI { 1210} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 14 and name HD2%) 2.900 1.100 1.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 2.168 ppm2 0.876 CV 1 OR { 1210} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 38 and name HD1%) ASSI { 1214} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HG2%) 3.400 1.400 1.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.28491E-02 ppm1 1.827 ppm2 1.056 CV 1 OR { 1214} (( segid " " and resid 77 and name HG )) ( segid " " and resid 74 and name HD2%) ASSI { 1219} (( segid " " and resid 82 and name HG )) ( segid " " and resid 78 and name HG2%) 2.000 0.500 0.500 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.68084E-02 ppm1 1.829 ppm2 0.869 CV 1 OR { 1219} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HD1%) ASSI { 1231} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HG12)) 1.700 0.300 0.500 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.10912E-01 ppm1 1.828 ppm2 1.542 CV 1 OR { 1231} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB2 )) ASSI { 1232} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HB2 )) 3.500 1.500 1.500 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.10225E-02 ppm1 1.880 ppm2 1.450 CV 1 OR { 1232} (( segid " " and resid 10 and name HG )) (( segid " " and resid 14 and name HB2 )) ASSI { 1243} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB1 )) 2.200 0.600 0.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.68315E-02 ppm1 1.358 ppm2 1.615 CV 1 OR { 1243} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB2 )) ASSI { 1244} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.59557E-02 ppm1 1.347 ppm2 1.511 CV 1 OR { 1244} (( segid " " and resid 45 and name HG )) ( segid " " and resid 49 and name HB% ) ASSI { 1246} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB1 )) 2.500 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.36477E-02 ppm1 1.199 ppm2 1.633 CV 1 OR { 1246} (( segid " " and resid 31 and name HG )) (( segid " " and resid 72 and name HB2 )) ASSI { 1254} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 14 and name HD2%) 3.400 1.500 1.500 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11266E-02 ppm1 1.302 ppm2 0.874 CV 1 OR { 1254} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 38 and name HD1%) ASSI { 1258} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 3.100 1.200 1.200 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.51733E-02 ppm1 0.799 ppm2 1.452 CV 1 OR { 1258} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB2 )) ASSI { 1261} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 48 and name HG2%) 2.400 0.700 0.700 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.69944E-02 ppm1 0.866 ppm2 1.138 CV 1 OR { 1261} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 10 and name HD2%) OR { 1261} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 10 and name HD2%) ASSI { 1262} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.11166E-01 ppm1 0.864 ppm2 1.054 CV 1 OR { 1262} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 74 and name HD1%) OR { 1262} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 1264} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 1.900 0.500 0.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.24072E-01 ppm1 0.871 ppm2 1.687 CV 1 OR { 1264} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 13 and name HB% ) ASSI { 1265} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.400 0.700 0.700 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.86152E-02 ppm1 0.871 ppm2 1.543 CV 1 OR { 1265} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 10 and name HB2 )) OR { 1265} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 5 and name HG )) OR { 1265} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 1267} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 5 and name HB2 )) 3.100 1.200 1.200 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.43781E-02 ppm1 0.869 ppm2 1.388 CV 1 OR { 1267} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 5 and name HB2 )) ASSI { 1275} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD1%) 2.900 1.100 1.100 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 1.815 ppm2 0.966 CV 1 OR { 1275} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD2%) OR { 1275} (( segid " " and resid 77 and name HG )) ( segid " " and resid 64 and name HG1%) ASSI { 1277} (( segid " " and resid 75 and name HG )) ( segid " " and resid 4 and name HD2%) 3.700 1.800 1.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.19562E-02 ppm1 1.696 ppm2 0.968 CV 1 OR { 1277} (( segid " " and resid 75 and name HG )) ( segid " " and resid 82 and name HD1%) OR { 1277} (( segid " " and resid 75 and name HG )) ( segid " " and resid 77 and name HD2%) OR { 1277} (( segid " " and resid 75 and name HG )) (( segid " " and resid 74 and name HG )) OR { 1277} (( segid " " and resid 75 and name HG )) ( segid " " and resid 77 and name HD1%) OR { 1277} (( segid " " and resid 75 and name HG )) ( segid " " and resid 82 and name HD2%) ASSI { 1283} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 23 and name HA1 )) 4.000 2.000 2.000 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.29926E-03 ppm1 0.800 ppm2 4.062 CV 1 OR { 1283} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 23 and name HA2 )) OR { 1283} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 17 and name HB2 )) ASSI { 1284} (( segid " " and resid 77 and name HG )) (( segid " " and resid 76 and name HB1 )) 3.300 1.300 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.40612E-03 ppm1 1.820 ppm2 2.769 CV 1 OR { 1284} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HB2 )) ASSI { 1287} (( segid " " and resid 82 and name HG )) (( segid " " and resid 81 and name HN )) 4.600 2.600 1.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.50593E-03 ppm1 1.824 ppm2 7.565 CV 1 OR { 1287} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 37 and name HN )) ASSI { 1295} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HN )) 3.700 1.700 1.700 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.15956E-02 ppm1 1.622 ppm2 8.459 CV 1 OR { 1295} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name HN )) ASSI { 1298} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 6 and name HN )) 4.400 2.400 1.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.25144E-03 ppm1 1.119 ppm2 9.009 CV 1 OR { 1298} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 72 and name HN )) ASSI { 1307} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 1.939 ppm2 8.458 CV 1 OR { 1307} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 35 and name HN )) ASSI { 1311} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE )) 3.300 1.300 1.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.11302E-02 ppm1 1.402 ppm2 7.319 CV 1 OR { 1311} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 30 and name HZ )) ASSI { 1314} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 13 and name HN )) 4.400 2.400 1.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.51265E-03 ppm1 1.124 ppm2 7.707 CV 1 OR { 1314} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HN )) ASSI { 1318} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) 3.300 1.300 1.300 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.23247E-02 ppm1 1.124 ppm2 3.879 CV 1 OR { 1318} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 1321} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.27512E-02 ppm1 1.124 ppm2 4.220 CV 1 OR { 1321} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HA )) ASSI { 1323} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 31 and name HA )) 4.500 2.600 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.49996E-03 ppm1 1.125 ppm2 3.310 CV 1 OR { 1323} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 30 and name HB1 )) ASSI { 1349} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD2 )) 2.600 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.37168E-02 ppm1 1.925 ppm2 3.343 CV 1 OR { 1349} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD2 )) OR { 1349} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD1 )) ASSI { 1361} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB1 )) 2.600 0.800 0.800 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.38190E-02 ppm1 1.123 ppm2 2.232 CV 1 OR { 1361} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 52 and name HB1 )) ASSI { 1362} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 14 and name HB1 )) 3.300 1.400 1.400 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.21426E-02 ppm1 1.122 ppm2 2.005 CV 1 OR { 1362} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB2 )) ASSI { 1366} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 13 and name HB% ) 3.500 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.23789E-02 ppm1 1.124 ppm2 1.692 CV 1 OR { 1366} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HB2 )) OR { 1366} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HG )) ASSI { 1367} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB2 )) 2.400 0.700 0.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.74151E-02 ppm1 1.123 ppm2 1.557 CV 1 OR { 1367} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB2 )) ASSI { 1379} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 52 and name HD1%) 2.700 0.900 0.900 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.50461E-02 ppm1 1.123 ppm2 0.867 CV 1 OR { 1379} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD2%) OR { 1379} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD2%) ASSI { 1380} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD1%) 2.500 0.800 0.800 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.60462E-02 ppm1 1.123 ppm2 0.786 CV 1 OR { 1380} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD1%) OR { 1380} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 78 and name HD1%) OR { 1380} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 31 and name HD2%) ASSI { 1382} (( segid " " and resid 5 and name HG )) ( segid " " and resid 75 and name HD1%) 3.600 1.600 1.600 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.17089E-02 ppm1 1.561 ppm2 0.794 CV 1 OR { 1382} (( segid " " and resid 5 and name HG )) ( segid " " and resid 78 and name HD1%) ASSI { 1388} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HD1%) 2.300 0.700 0.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.49759E-02 ppm1 1.282 ppm2 0.814 CV 1 OR { 1388} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 60 and name HD1%) ASSI { 1395} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HB )) 2.400 0.700 0.700 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.31558E-02 ppm1 1.726 ppm2 1.930 CV 1 OR { 1395} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 77 and name HB2 )) ASSI { 1396} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 3.000 1.100 1.100 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.29421E-02 ppm1 1.283 ppm2 1.929 CV 1 OR { 1396} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 77 and name HB2 )) ASSI { 1401} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 1.900 0.400 0.400 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.91648E-02 ppm1 2.348 ppm2 2.495 CV 1 OR { 1401} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1412} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG1 )) 2.500 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.49751E-02 ppm1 2.264 ppm2 2.628 CV 1 OR { 1412} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG1 )) ASSI { 1413} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 1.600 0.300 0.600 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.16620E-01 ppm1 2.272 ppm2 2.472 CV 1 OR { 1413} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) ASSI { 1414} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG1 )) 2.200 0.600 0.600 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.14540E-01 ppm1 2.243 ppm2 2.408 CV 1 OR { 1414} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG2 )) OR { 1414} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) ASSI { 1415} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG2 )) 2.300 0.700 0.700 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.93425E-02 ppm1 2.257 ppm2 2.503 CV 1 OR { 1415} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG2 )) OR { 1415} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG1 )) ASSI { 1423} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 60 and name HD1%) 5.000 3.200 1.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.26957E-03 ppm1 2.514 ppm2 0.824 CV 1 OR { 1423} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 78 and name HD1%) ASSI { 1425} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 60 and name HD1%) 5.200 3.400 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.29417E-03 ppm1 2.362 ppm2 0.840 CV 1 OR { 1425} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 52 and name HD1%) ASSI { 1429} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 50 and name HB% ) 4.100 2.100 1.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.56356E-03 ppm1 2.345 ppm2 1.637 CV 1 OR { 1429} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 50 and name HB% ) OR { 1429} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 55 and name HB2 )) OR { 1429} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 81 and name HB% ) ASSI { 1430} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 49 and name HB% ) 4.300 2.300 1.700 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.50226E-03 ppm1 2.343 ppm2 1.525 CV 1 OR { 1430} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 44 and name HB% ) ASSI { 1434} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.24098E-02 ppm1 2.514 ppm2 4.087 CV 1 OR { 1434} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 1434} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 57 and name HA2 )) ASSI { 1435} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 3.000 1.200 1.200 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.25713E-02 ppm1 2.354 ppm2 4.082 CV 1 OR { 1435} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB2 )) OR { 1435} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB1 )) OR { 1435} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 17 and name HB2 )) ASSI { 1438} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HA )) 2.600 0.900 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.41511E-02 ppm1 2.346 ppm2 4.241 CV 1 OR { 1438} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HA )) ASSI { 1439} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.600 0.900 0.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.40495E-02 ppm1 2.263 ppm2 4.219 CV 1 OR { 1439} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 1455} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.600 0.900 0.900 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.29512E-02 ppm1 2.266 ppm2 7.830 CV 1 OR { 1455} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) OR { 1455} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 85 and name HN )) ASSI { 1458} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.100 1.200 1.200 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.14470E-02 ppm1 2.139 ppm2 7.817 CV 1 OR { 1458} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HN )) ASSI { 1459} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 39 and name HN )) 6.000 4.600 0.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.82534E-04 ppm1 2.133 ppm2 7.725 CV 1 OR { 1459} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 1462} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HN )) 3.700 1.800 1.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.10238E-02 ppm1 2.516 ppm2 8.042 CV 1 OR { 1462} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 1463} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HN )) 3.100 1.200 1.200 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.11140E-02 ppm1 2.356 ppm2 8.038 CV 1 OR { 1463} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 1465} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HN )) 5.300 3.500 0.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.14406E-03 ppm1 2.341 ppm2 8.222 CV 1 OR { 1465} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 46 and name HN )) OR { 1465} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 50 and name HN )) ASSI { 1467} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) 4.700 2.700 1.300 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.51785E-03 ppm1 2.076 ppm2 8.243 CV 1 OR { 1467} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 19 and name HN )) ASSI { 1468} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 3.200 1.300 1.300 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.25874E-02 ppm1 2.252 ppm2 8.219 CV 1 OR { 1468} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 21 and name HN )) ASSI { 1470} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 2.172 ppm2 8.464 CV 1 OR { 1470} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 1478} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.000 1.200 1.200 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.13658E-02 ppm1 1.858 ppm2 8.460 CV 1 OR { 1478} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 1496} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.800 1.800 1.800 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 2.031 ppm2 8.401 CV 1 OR { 1496} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HN )) OR { 1496} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 14 and name HN )) OR { 1496} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 14 and name HN )) ASSI { 1504} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE )) 2.900 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19485E-02 ppm1 2.050 ppm2 7.328 CV 1 OR { 1504} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE )) OR { 1504} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) OR { 1504} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 1522} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.26172E-02 ppm1 2.033 ppm2 4.233 CV 1 OR { 1522} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HA )) OR { 1522} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 1525} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 13 and name HA )) 4.100 2.100 1.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.60344E-03 ppm1 2.031 ppm2 4.396 CV 1 OR { 1525} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HA )) OR { 1525} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 13 and name HA )) OR { 1525} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 48 and name HB )) OR { 1525} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 13 and name HA )) OR { 1525} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HA )) OR { 1525} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 54 and name HA )) OR { 1525} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI { 1526} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 3.000 1.200 1.200 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.29712E-02 ppm1 2.125 ppm2 4.392 CV 1 OR { 1526} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI { 1529} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.600 1.600 1.600 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.60306E-03 ppm1 2.198 ppm2 3.955 CV 1 OR { 1529} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 1538} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) 3.200 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 1.607 ppm2 3.017 CV 1 OR { 1538} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) ASSI { 1539} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HB2 )) 3.200 3.200 2.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.63092E-03 ppm1 2.029 ppm2 2.699 CV 1 OR { 1539} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 8 and name HB1 )) OR { 1539} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 8 and name HB2 )) OR { 1539} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 9 and name HB2 )) OR { 1539} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 8 and name HB1 )) ASSI { 1543} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HB1 )) 1.500 0.300 0.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.30654E-01 ppm1 2.127 ppm2 2.272 CV 1 OR { 1543} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB1 )) ASSI { 1545} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.600 0.900 0.900 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.30483E-02 ppm1 2.040 ppm2 1.401 CV 1 OR { 1545} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 1545} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 1550} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG2 )) 2.900 1.100 1.100 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.17774E-02 ppm1 2.035 ppm2 1.145 CV 1 OR { 1550} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG2 )) OR { 1550} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HG2 )) ASSI { 1559} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 52 and name HD2%) 4.600 2.700 1.400 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.54115E-03 ppm1 2.032 ppm2 1.043 CV 1 OR { 1559} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 10 and name HD1%) OR { 1559} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 15 and name HG1%) OR { 1559} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 10 and name HD1%) OR { 1559} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 15 and name HG1%) OR { 1559} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 52 and name HD2%) OR { 1559} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 15 and name HG1%) OR { 1559} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 52 and name HD2%) OR { 1559} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 15 and name HG1%) OR { 1559} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 10 and name HD1%) OR { 1559} (( segid " " and resid 12 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 1563} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 4.400 2.400 1.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 2.748 ppm2 2.180 CV 1 OR { 1563} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 64 and name HB )) ASSI { 1564} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 4.600 2.700 1.400 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.58487E-03 ppm1 2.840 ppm2 8.486 CV 1 OR { 1564} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HN )) ASSI { 1565} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.700 2.800 1.300 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.53826E-03 ppm1 2.749 ppm2 8.481 CV 1 OR { 1565} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HN )) ASSI { 1578} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 3.200 1.300 1.300 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.25334E-02 ppm1 2.842 ppm2 4.259 CV 1 OR { 1578} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 42 and name HA )) ASSI { 1579} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 42 and name HA )) 2.900 1.100 1.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.21212E-02 ppm1 2.751 ppm2 4.260 CV 1 OR { 1579} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) ASSI { 1581} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA1 )) 4.700 2.700 1.300 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.28208E-03 ppm1 2.841 ppm2 4.120 CV 1 OR { 1581} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 17 and name HB1 )) ASSI { 1582} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HA2 )) 4.300 2.300 1.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.35110E-03 ppm1 2.752 ppm2 3.894 CV 1 OR { 1582} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HA )) ASSI { 1583} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA2 )) 4.700 2.700 1.300 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.25654E-03 ppm1 2.842 ppm2 3.884 CV 1 OR { 1583} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HA )) ASSI { 1584} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HA )) 4.400 2.500 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.53583E-03 ppm1 2.206 ppm2 3.998 CV 1 OR { 1584} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD1 )) ASSI { 1608} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HB2 )) 4.300 2.300 1.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.47730E-03 ppm1 2.838 ppm2 1.516 CV 1 OR { 1608} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 49 and name HB% ) OR { 1608} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 44 and name HB% ) ASSI { 1609} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HB2 )) 4.200 2.200 1.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.40152E-03 ppm1 2.754 ppm2 1.517 CV 1 OR { 1609} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 49 and name HB% ) OR { 1609} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 44 and name HB% ) ASSI { 1611} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 65 and name HB% ) 4.500 2.500 1.500 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.42281E-03 ppm1 2.840 ppm2 1.376 CV 1 OR { 1611} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HG )) ASSI { 1612} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 3.900 1.900 1.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.44700E-03 ppm1 2.841 ppm2 1.074 CV 1 OR { 1612} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 74 and name HD1%) OR { 1612} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 43 and name HD2%) OR { 1612} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1613} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) 3.800 1.800 1.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.62568E-03 ppm1 2.749 ppm2 1.066 CV 1 OR { 1613} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 43 and name HD2%) OR { 1613} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 74 and name HD1%) OR { 1613} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 74 and name HD2%) ASSI { 1614} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 3.700 1.700 1.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.42525E-03 ppm1 2.840 ppm2 0.958 CV 1 OR { 1614} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 74 and name HG )) OR { 1614} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 64 and name HG1%) OR { 1614} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1615} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 4.100 2.100 1.900 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.29548E-03 ppm1 2.750 ppm2 0.948 CV 1 OR { 1615} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 64 and name HG1%) OR { 1615} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 77 and name HD1%) ASSI { 1620} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) 2.000 0.500 0.500 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.12827E-01 ppm1 2.202 ppm2 1.008 CV 1 OR { 1620} (( segid " " and resid 64 and name HB )) ( segid " " and resid 60 and name HG2%) ASSI { 1628} (( segid " " and resid 68 and name HB )) ( segid " " and resid 77 and name HD1%) 4.500 2.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.64659E-03 ppm1 2.411 ppm2 0.961 CV 1 OR { 1628} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HG )) OR { 1628} (( segid " " and resid 68 and name HB )) ( segid " " and resid 64 and name HG1%) ASSI { 1635} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 14 and name HD2%) 2.900 1.100 1.100 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 2.246 ppm2 0.887 CV 1 OR { 1635} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 38 and name HD1%) ASSI { 1636} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 14 and name HD1%) 4.200 2.200 1.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.50814E-03 ppm1 2.244 ppm2 0.780 CV 1 OR { 1636} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD2%) ASSI { 1638} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 14 and name HD2%) 4.400 2.400 1.600 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.57427E-03 ppm1 2.006 ppm2 0.884 CV 1 OR { 1638} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 75 and name HD2%) ASSI { 1639} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 31 and name HD2%) 4.700 2.800 1.300 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.25663E-03 ppm1 2.005 ppm2 0.782 CV 1 OR { 1639} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 14 and name HD1%) ASSI { 1643} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.800 1.800 1.800 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 2.244 ppm2 3.304 CV 1 OR { 1643} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 30 and name HB1 )) ASSI { 1658} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.15348E-02 ppm1 2.409 ppm2 7.470 CV 1 OR { 1658} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HN )) ASSI { 1674} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HN )) 4.500 2.500 1.500 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.36194E-03 ppm1 2.315 ppm2 8.120 CV 1 OR { 1674} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 51 and name HN )) OR { 1674} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 56 and name HN )) ASSI { 1675} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HN )) 4.300 2.400 1.700 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.74100E-03 ppm1 2.757 ppm2 8.040 CV 1 OR { 1675} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 55 and name HN )) ASSI { 1676} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 4.500 2.500 1.500 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.62554E-03 ppm1 2.311 ppm2 8.042 CV 1 OR { 1676} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 55 and name HN )) ASSI { 1681} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 50 and name HA )) 3.900 1.900 1.900 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.65621E-03 ppm1 2.765 ppm2 4.246 CV 1 OR { 1681} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 51 and name HA )) ASSI { 1683} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.200 2.300 1.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.87248E-03 ppm1 2.317 ppm2 4.253 CV 1 OR { 1683} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 51 and name HA )) ASSI { 1686} (( segid " " and resid 58 and name HB )) (( segid " " and resid 53 and name HA )) 5.100 3.200 0.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.52962E-03 ppm1 2.134 ppm2 4.082 CV 1 OR { 1686} (( segid " " and resid 58 and name HB )) (( segid " " and resid 57 and name HA2 )) ASSI { 1687} (( segid " " and resid 58 and name HB )) (( segid " " and resid 78 and name HA )) 4.500 2.500 1.500 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.37663E-03 ppm1 2.135 ppm2 3.758 CV 1 OR { 1687} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HB2 )) ASSI { 1694} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HG11)) 3.800 1.800 1.800 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.35735E-03 ppm1 2.316 ppm2 1.468 CV 1 OR { 1694} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 1705} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 43 and name HD2%) 3.600 1.600 1.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 2.620 ppm2 1.056 CV 1 OR { 1705} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 52 and name HD2%) OR { 1705} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 74 and name HD1%) OR { 1705} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1706} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD2%) 3.300 1.300 1.300 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.69963E-03 ppm1 2.471 ppm2 1.047 CV 1 OR { 1706} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 52 and name HD2%) OR { 1706} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 74 and name HD1%) OR { 1706} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 74 and name HD2%) ASSI { 1737} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) 3.500 1.600 1.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.20202E-02 ppm1 2.407 ppm2 8.472 CV 1 OR { 1737} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) ASSI { 1743} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 78 and name HN )) 5.500 3.800 0.500 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.26595E-03 ppm1 3.098 ppm2 8.276 CV 1 OR { 1743} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 82 and name HN )) ASSI { 1744} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 82 and name HN )) 5.200 3.400 0.800 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.18947E-03 ppm1 2.768 ppm2 8.270 CV 1 OR { 1744} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 78 and name HN )) ASSI { 1762} (( segid " " and resid 78 and name HB )) ( segid " " and resid 82 and name HD1%) 4.200 2.300 1.800 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.81399E-03 ppm1 1.938 ppm2 0.987 CV 1 OR { 1762} (( segid " " and resid 78 and name HB )) ( segid " " and resid 82 and name HD2%) OR { 1762} (( segid " " and resid 78 and name HB )) ( segid " " and resid 58 and name HG2%) ASSI { 1763} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.500 0.800 0.800 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.30585E-02 ppm1 1.934 ppm2 0.860 CV 1 OR { 1763} (( segid " " and resid 78 and name HB )) ( segid " " and resid 60 and name HD1%) ASSI { 1765} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD1%) 3.600 1.700 1.700 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.56754E-03 ppm1 3.081 ppm2 0.883 CV 1 OR { 1765} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1766} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD1%) 4.300 2.400 1.700 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.80828E-03 ppm1 2.766 ppm2 0.885 CV 1 OR { 1766} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 78 and name HG2%) OR { 1766} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HD2%) ASSI { 1770} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 17 and name HN )) 4.700 2.800 1.300 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.38866E-03 ppm1 2.394 ppm2 7.821 CV 1 OR { 1770} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 18 and name HN )) ASSI { 1771} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 13 and name HA )) 4.200 2.200 1.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.49591E-03 ppm1 2.391 ppm2 4.398 CV 1 OR { 1771} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 14 and name HA )) ASSI { 1773} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 13 and name HA )) 4.000 2.000 2.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.43070E-03 ppm1 2.617 ppm2 4.400 CV 1 OR { 1773} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 14 and name HA )) ASSI { 1775} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB1 )) 2.600 0.800 0.800 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.55957E-02 ppm1 2.392 ppm2 2.260 CV 1 OR { 1775} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 15 and name HB )) ASSI { 1784} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 38 and name HG12)) 5.600 4.000 0.400 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.22955E-03 ppm1 3.087 ppm2 1.543 CV 1 OR { 1784} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1785} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 38 and name HG12)) 4.500 2.600 1.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.43960E-03 ppm1 3.588 ppm2 1.530 CV 1 OR { 1785} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1802} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.500 0.800 0.800 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.26754E-02 ppm1 3.587 ppm2 4.372 CV 1 OR { 1802} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1803} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.100 1.200 1.200 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.20068E-02 ppm1 3.081 ppm2 4.373 CV 1 OR { 1803} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1811} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 3.700 1.700 1.700 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 2.458 ppm2 7.715 CV 1 OR { 1811} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 1825} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HA2 )) 4.500 2.500 1.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.46204E-03 ppm1 3.451 ppm2 4.075 CV 1 OR { 1825} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 53 and name HA )) OR { 1825} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HA1 )) OR { 1825} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 55 and name HA )) ASSI { 1826} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HA )) 4.100 2.100 1.900 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.42697E-03 ppm1 2.775 ppm2 4.093 CV 1 OR { 1826} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA2 )) OR { 1826} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA1 )) OR { 1826} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI { 1856} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HN )) 4.400 2.500 1.600 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.52883E-03 ppm1 2.893 ppm2 8.042 CV 1 OR { 1856} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1858} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 30 and name HD% ) 4.300 2.300 1.700 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.46005E-03 ppm1 1.238 ppm2 7.312 CV 1 OR { 1858} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 11 and name HE )) ASSI { 1861} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.20897E-02 ppm1 2.701 ppm2 8.065 CV 1 OR { 1861} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 10 and name HN )) ASSI { 1862} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HN )) 2.400 0.700 0.700 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.50556E-02 ppm1 2.704 ppm2 7.884 CV 1 OR { 1862} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HN )) OR { 1862} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) ASSI { 1867} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HN )) 4.400 2.400 1.600 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.73144E-03 ppm1 2.708 ppm2 8.836 CV 1 OR { 1867} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HN )) OR { 1867} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 7 and name HN )) OR { 1867} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HN )) OR { 1867} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HN )) OR { 1867} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 7 and name HN )) ASSI { 1868} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.000 1.100 1.100 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.14082E-02 ppm1 3.291 ppm2 8.038 CV 1 OR { 1868} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1871} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HE% ) 4.500 2.500 1.500 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.63588E-03 ppm1 3.287 ppm2 7.202 CV 1 OR { 1871} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 1873} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.87832E-03 ppm1 3.008 ppm2 7.198 CV 1 OR { 1873} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 1879} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HE )) 4.600 2.600 1.400 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.47535E-03 ppm1 2.712 ppm2 7.308 CV 1 OR { 1879} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HE )) OR { 1879} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HE )) OR { 1879} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 79 and name HD21)) ASSI { 1881} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 2.900 1.000 1.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.46337E-02 ppm1 3.009 ppm2 8.053 CV 1 OR { 1881} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 1885} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.35717E-02 ppm1 3.035 ppm2 4.543 CV 1 OR { 1885} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HA )) ASSI { 1888} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HA )) 3.700 1.700 1.700 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.18922E-02 ppm1 3.011 ppm2 4.366 CV 1 OR { 1888} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) OR { 1888} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1892} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.59910E-02 ppm1 2.700 ppm2 4.554 CV 1 OR { 1892} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HA )) ASSI { 1896} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 6 and name HB )) 4.600 2.600 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.50746E-03 ppm1 2.703 ppm2 4.838 CV 1 OR { 1896} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 6 and name HB )) OR { 1896} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HB )) ASSI { 1911} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 12 and name HD2 )) 3.500 3.500 2.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.35850E-03 ppm1 2.859 ppm2 3.306 CV 1 OR { 1911} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 12 and name HD2 )) OR { 1911} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 41 and name HB1 )) OR { 1911} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 51 and name HD2 )) OR { 1911} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 30 and name HB1 )) ASSI { 1929} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 14 and name HD2%) 4.800 2.900 1.200 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.47762E-03 ppm1 3.293 ppm2 0.864 CV 1 OR { 1929} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HD1%) ASSI { 1930} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HD1%) 3.900 1.900 1.900 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.95317E-03 ppm1 3.008 ppm2 0.869 CV 1 OR { 1930} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 14 and name HD2%) OR { 1930} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HD1%) ASSI { 1931} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 33 and name HD2%) 3.400 1.500 1.500 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.23674E-02 ppm1 3.293 ppm2 1.060 CV 1 OR { 1931} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) OR { 1931} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 1933} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG11)) 4.400 2.400 1.600 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.80540E-03 ppm1 3.008 ppm2 1.797 CV 1 OR { 1933} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HG )) OR { 1933} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HB1 )) ASSI { 1934} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 3.200 1.300 1.300 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.20538E-02 ppm1 2.699 ppm2 1.571 CV 1 OR { 1934} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HB2 )) OR { 1934} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) OR { 1934} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1935} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 6 and name HG2%) 3.900 1.900 1.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 2.707 ppm2 1.390 CV 1 OR { 1935} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 7 and name HG2%) OR { 1935} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 6 and name HG2%) OR { 1935} (( segid " " and resid 8 and name HB1 )) ( segid " " and resid 6 and name HG2%) OR { 1935} (( segid " " and resid 8 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 1935} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB2 )) OR { 1935} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HG1 )) ASSI { 1936} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) 4.300 2.300 1.700 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.81328E-03 ppm1 2.705 ppm2 2.029 CV 1 OR { 1936} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 1936} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 1936} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 1936} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 1936} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 12 and name HB2 )) OR { 1936} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 1936} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1937} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG12)) 3.700 1.700 1.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 3.008 ppm2 1.522 CV 1 OR { 1937} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HB2 )) OR { 1937} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 44 and name HB% ) ASSI { 1940} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) 3.400 1.400 1.400 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.19652E-02 ppm1 3.035 ppm2 1.574 CV 1 OR { 1940} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 1940} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) ASSI { 1956} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD2%) 3.900 1.900 1.900 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.79994E-03 ppm1 2.331 ppm2 0.871 CV 1 OR { 1956} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 52 and name HD1%) OR { 1956} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 14 and name HD2%) ASSI { 1957} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD1%) 3.500 1.500 1.500 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 2.333 ppm2 0.789 CV 1 OR { 1957} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 31 and name HD2%) ASSI { 1960} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD2%) 2.800 1.000 1.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.21276E-02 ppm1 2.212 ppm2 1.040 CV 1 OR { 1960} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 10 and name HD1%) OR { 1960} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1965} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 3.100 1.200 1.200 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.19609E-02 ppm1 2.419 ppm2 0.976 CV 1 OR { 1965} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1966} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD1%) 2.300 0.700 0.700 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.72907E-02 ppm1 2.014 ppm2 0.973 CV 1 OR { 1966} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) OR { 1966} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 1966} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD2%) OR { 1966} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 64 and name HG1%) ASSI { 1967} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 4 and name HD1%) 4.000 2.000 2.000 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.20669E-02 ppm1 2.011 ppm2 0.871 CV 1 OR { 1967} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1969} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 26 and name HD2%) 3.100 1.200 1.200 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.31038E-02 ppm1 1.982 ppm2 0.776 CV 1 OR { 1969} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 14 and name HD1%) ASSI { 1972} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD2%) 2.700 0.900 0.900 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.41768E-02 ppm1 1.768 ppm2 1.055 CV 1 OR { 1972} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 1982} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD2%) 2.600 0.900 0.900 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.49866E-02 ppm1 1.549 ppm2 0.870 CV 1 OR { 1982} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 78 and name HG2%) ASSI { 1986} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.50565E-02 ppm1 1.450 ppm2 0.867 CV 1 OR { 1986} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 78 and name HG2%) ASSI { 1988} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD1%) 2.300 0.700 0.700 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.92091E-02 ppm1 1.556 ppm2 0.980 CV 1 OR { 1988} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD2%) OR { 1988} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 4 and name HD2%) ASSI { 1990} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG )) 2.400 0.700 0.700 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.41359E-02 ppm1 1.704 ppm2 0.971 CV 1 OR { 1990} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 77 and name HD1%) ASSI { 1994} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD2%) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.51078E-02 ppm1 1.409 ppm2 1.059 CV 1 OR { 1994} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 38 and name HG2%) ASSI { 1997} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 1.900 0.400 0.400 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.79077E-02 ppm1 1.027 ppm2 1.628 CV 1 OR { 1997} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 2020} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.14431E-02 ppm1 1.980 ppm2 4.398 CV 1 OR { 2020} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI { 2032} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.500 0.800 0.800 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.36972E-02 ppm1 1.599 ppm2 4.363 CV 1 OR { 2032} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 3 and name HA )) ASSI { 2035} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.20526E-02 ppm1 1.624 ppm2 4.271 CV 1 OR { 2035} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 2038} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.19510E-02 ppm1 1.442 ppm2 4.389 CV 1 OR { 2038} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 48 and name HB )) ASSI { 2039} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HA )) 3.700 1.700 1.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.16780E-02 ppm1 1.508 ppm2 4.268 CV 1 OR { 2039} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HA )) ASSI { 2056} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.300 0.700 0.700 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.60315E-02 ppm1 2.190 ppm2 8.712 CV 1 OR { 2056} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) ASSI { 2059} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.43385E-02 ppm1 3.031 ppm2 8.051 CV 1 OR { 2059} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 2067} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 79 and name HD21)) 3.500 1.500 1.500 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 1.590 ppm2 7.322 CV 1 OR { 2067} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HD21)) ASSI { 2080} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.16364E-02 ppm1 1.623 ppm2 8.051 CV 1 OR { 2080} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 2082} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.25859E-02 ppm1 1.627 ppm2 8.463 CV 1 OR { 2082} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 47 and name HN )) ASSI { 2093} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.48071E-02 ppm1 1.544 ppm2 8.718 CV 1 OR { 2093} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 2096} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.500 0.800 0.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.42924E-02 ppm1 1.587 ppm2 9.430 CV 1 OR { 2096} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) ASSI { 2101} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HE )) 3.000 1.100 1.100 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 3.349 ppm2 7.981 CV 1 OR { 2101} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HN )) ASSI { 2102} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HN )) 4.800 2.900 1.200 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.45110E-03 ppm1 3.352 ppm2 8.465 CV 1 OR { 2102} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 35 and name HN )) OR { 2102} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 15 and name HN )) ASSI { 2103} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HN )) 4.700 2.800 1.300 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.62626E-03 ppm1 3.441 ppm2 8.454 CV 1 OR { 2103} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HN )) ASSI { 2112} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HE )) 3.000 1.100 1.100 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.18529E-02 ppm1 3.300 ppm2 7.530 CV 1 OR { 2112} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HE )) ASSI { 2121} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 13 and name HA )) 3.700 1.800 1.800 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.60143E-03 ppm1 3.298 ppm2 4.399 CV 1 OR { 2121} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 13 and name HA )) OR { 2121} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 14 and name HA )) ASSI { 2122} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 13 and name HA )) 3.800 1.800 1.800 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.50907E-03 ppm1 3.439 ppm2 4.394 CV 1 OR { 2122} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HA )) ASSI { 2125} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.600 0.800 0.800 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.43501E-02 ppm1 1.907 ppm2 4.283 CV 1 OR { 2125} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) ASSI { 2138} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.33875E-02 ppm1 3.441 ppm2 2.179 CV 1 OR { 2138} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 2139} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 2.500 0.800 0.800 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.51749E-02 ppm1 3.442 ppm2 1.960 CV 1 OR { 2139} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) ASSI { 2148} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB1 )) 2.500 0.800 0.800 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.58029E-02 ppm1 3.302 ppm2 2.014 CV 1 OR { 2148} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB2 )) OR { 2148} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2149} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.600 0.800 0.800 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.54199E-02 ppm1 3.357 ppm2 1.924 CV 1 OR { 2149} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 2154} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 68 and name HG1%) 4.400 2.400 1.600 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.61955E-03 ppm1 1.906 ppm2 1.115 CV 1 OR { 2154} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 60 and name HG12)) ASSI { 2155} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 15 and name HG2%) 3.600 1.600 1.600 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 1.979 ppm2 1.114 CV 1 OR { 2155} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 10 and name HD2%) OR { 2155} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 48 and name HG2%) ASSI { 2182} (( segid " " and resid 23 and name HA1 )) ( segid " " and resid 24 and name HG2%) 3.700 1.700 1.700 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.93066E-03 ppm1 4.073 ppm2 1.256 CV 1 OR { 2182} (( segid " " and resid 23 and name HA2 )) ( segid " " and resid 24 and name HG2%) OR { 2182} (( segid " " and resid 23 and name HA2 )) ( segid " " and resid 21 and name HG2%) ASSI { 2192} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.87697E-03 ppm1 4.069 ppm2 4.731 CV 1 OR { 2192} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HA )) OR { 2192} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 25 and name HA )) ASSI { 2203} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 23 and name HN )) 2.200 0.600 0.600 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.14715E-01 ppm1 4.070 ppm2 8.489 CV 1 OR { 2203} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 23 and name HN )) OR { 2203} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 20 and name HN )) ASSI { 2210} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 82 and name HN )) 4.100 2.100 1.900 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.89910E-03 ppm1 4.020 ppm2 8.286 CV 1 OR { 2210} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 82 and name HN )) OR { 2210} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HN )) ASSI { 2214} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HA )) 3.800 1.800 1.800 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 4.089 ppm2 4.679 CV 1 OR { 2214} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HA )) OR { 2214} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HA )) OR { 2214} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HA )) ASSI { 2223} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) 3.000 1.100 1.100 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.33964E-02 ppm1 4.020 ppm2 1.608 CV 1 OR { 2223} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) OR { 2223} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 81 and name HB% ) OR { 2223} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 81 and name HB% ) ASSI { 2224} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 58 and name HG2%) 4.000 2.000 2.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.12016E-02 ppm1 4.090 ppm2 0.961 CV 1 OR { 2224} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 58 and name HG2%) OR { 2224} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 82 and name HD2%) OR { 2224} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 82 and name HD2%) ASSI { 2227} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 14 and name HD2%) 3.300 1.400 1.400 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.58474E-03 ppm1 2.795 ppm2 0.874 CV 1 OR { 2227} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) OR { 2227} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 75 and name HD2%) ASSI { 2228} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG2%) 2.300 0.700 0.700 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.59816E-02 ppm1 3.569 ppm2 1.021 CV 1 OR { 2228} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) ASSI { 2235} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG2%) 3.600 1.600 1.600 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.39861E-02 ppm1 4.005 ppm2 1.020 CV 1 OR { 2235} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HG2%) ASSI { 2254} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.50423E-03 ppm1 2.796 ppm2 7.203 CV 1 OR { 2254} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 30 and name HE% ) ASSI { 2255} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HN )) 3.700 1.700 1.700 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.72798E-03 ppm1 4.019 ppm2 7.206 CV 1 OR { 2255} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 30 and name HE% ) ASSI { 2260} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.40524E-02 ppm1 4.372 ppm2 7.842 CV 1 OR { 2260} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 2270} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HB% ) 2.100 0.600 0.600 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.12652E-01 ppm1 4.370 ppm2 1.541 CV 1 OR { 2270} (( segid " " and resid 18 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2278} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB2 )) 4.100 2.100 1.900 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.90103E-03 ppm1 4.373 ppm2 4.044 CV 1 OR { 2278} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HA2 )) OR { 2278} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HA1 )) OR { 2278} (( segid " " and resid 18 and name HA )) (( segid " " and resid 23 and name HA1 )) OR { 2278} (( segid " " and resid 18 and name HA )) (( segid " " and resid 23 and name HA2 )) ASSI { 2281} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.100 0.600 0.600 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.13991E-01 ppm1 4.711 ppm2 8.471 CV 1 OR { 2281} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) OR { 2281} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 2285} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.500 0.800 0.800 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.66904E-02 ppm1 4.715 ppm2 2.862 CV 1 OR { 2285} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) OR { 2285} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 2289} (( segid " " and resid 32 and name HA )) ( segid " " and resid 70 and name HG2%) 3.400 1.500 1.500 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.16773E-02 ppm1 5.033 ppm2 1.067 CV 1 OR { 2289} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 2305} (( segid " " and resid 26 and name HA )) ( segid " " and resid 30 and name HD% ) 4.400 2.500 1.600 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.70553E-03 ppm1 4.354 ppm2 7.312 CV 1 OR { 2305} (( segid " " and resid 26 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 2310} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.800 1.800 1.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.95753E-03 ppm1 4.455 ppm2 2.132 CV 1 OR { 2310} (( segid " " and resid 81 and name HA )) (( segid " " and resid 58 and name HB )) ASSI { 2322} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 3.100 1.200 1.200 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.25241E-02 ppm1 4.308 ppm2 1.068 CV 1 OR { 2322} (( segid " " and resid 33 and name HA )) ( segid " " and resid 70 and name HG2%) ASSI { 2324} (( segid " " and resid 81 and name HA )) ( segid " " and resid 58 and name HG2%) 4.700 2.800 1.300 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.57792E-03 ppm1 4.460 ppm2 0.959 CV 1 OR { 2324} (( segid " " and resid 81 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 2324} (( segid " " and resid 81 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 2339} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) 2.500 0.800 0.800 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.48344E-02 ppm1 4.358 ppm2 0.978 CV 1 OR { 2339} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD2%) ASSI { 2340} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD1%) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.50194E-02 ppm1 4.358 ppm2 0.878 CV 1 OR { 2340} (( segid " " and resid 4 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 2344} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) 2.800 1.000 1.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.37980E-02 ppm1 3.966 ppm2 0.961 CV 1 OR { 2344} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 2344} (( segid " " and resid 65 and name HA )) (( segid " " and resid 74 and name HG )) ASSI { 2349} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.500 1.600 1.600 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.22978E-02 ppm1 4.400 ppm2 2.257 CV 1 OR { 2349} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HB )) ASSI { 2351} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB1 )) 3.600 1.600 1.600 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 4.394 ppm2 2.021 CV 1 OR { 2351} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 2351} (( segid " " and resid 13 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 2399} (( segid " " and resid 84 and name HA )) (( segid " " and resid 83 and name HN )) 4.900 2.900 1.100 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.33930E-03 ppm1 4.391 ppm2 7.950 CV 1 OR { 2399} (( segid " " and resid 84 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 2402} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.200 1.300 1.300 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.15853E-02 ppm1 4.211 ppm2 7.960 CV 1 OR { 2402} (( segid " " and resid 82 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 2411} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.600 1.600 1.600 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.28519E-02 ppm1 3.949 ppm2 2.211 CV 1 OR { 2411} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2417} (( segid " " and resid 82 and name HA )) ( segid " " and resid 85 and name HB% ) 2.500 0.800 0.800 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.52248E-02 ppm1 4.209 ppm2 1.560 CV 1 OR { 2417} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) ASSI { 2422} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HB% ) 4.100 2.100 1.900 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.74902E-03 ppm1 4.391 ppm2 1.591 CV 1 OR { 2422} (( segid " " and resid 84 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 2423} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD2%) 4.100 2.100 1.900 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 3.951 ppm2 1.037 CV 1 OR { 2423} (( segid " " and resid 49 and name HA )) ( segid " " and resid 60 and name HG2%) ASSI { 2424} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) 2.700 0.900 0.900 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.40412E-02 ppm1 3.948 ppm2 0.857 CV 1 OR { 2424} (( segid " " and resid 49 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 2427} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG )) 3.600 1.700 1.700 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.82836E-03 ppm1 3.946 ppm2 2.035 CV 1 OR { 2427} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB2 )) ASSI { 2428} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 1.000 1.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.23338E-02 ppm1 4.736 ppm2 8.044 CV 1 OR { 2428} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HN )) ASSI { 2436} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.700 0.900 0.900 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.33547E-02 ppm1 4.660 ppm2 1.014 CV 1 OR { 2436} (( segid " " and resid 60 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 2437} (( segid " " and resid 40 and name HA )) ( segid " " and resid 44 and name HB% ) 3.100 1.200 1.200 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.39283E-02 ppm1 4.585 ppm2 1.522 CV 1 OR { 2437} (( segid " " and resid 40 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 2437} (( segid " " and resid 40 and name HA )) (( segid " " and resid 38 and name HG12)) ASSI { 2440} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.26729E-02 ppm1 4.548 ppm2 2.023 CV 1 OR { 2440} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 2440} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 2440} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 2447} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.200 0.600 0.600 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.68866E-02 ppm1 4.483 ppm2 2.742 CV 1 OR { 2447} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 2458} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 3.500 1.600 1.600 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.10594E-02 ppm1 4.621 ppm2 8.859 CV 1 OR { 2458} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 2464} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.89949E-03 ppm1 3.306 ppm2 8.039 CV 1 OR { 2464} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 2465} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.68039E-03 ppm1 3.303 ppm2 7.209 CV 1 OR { 2465} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) ASSI { 2467} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.17620E-02 ppm1 3.884 ppm2 8.256 CV 1 OR { 2467} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 2495} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB )) 2.500 0.800 0.800 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.30374E-02 ppm1 3.883 ppm2 4.408 CV 1 OR { 2495} (( segid " " and resid 45 and name HA )) (( segid " " and resid 14 and name HA )) ASSI { 2496} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HA )) 3.600 1.600 1.600 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.14540E-02 ppm1 3.880 ppm2 4.291 CV 1 OR { 2496} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA )) OR { 2496} (( segid " " and resid 45 and name HA )) (( segid " " and resid 42 and name HA )) OR { 2496} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HA )) ASSI { 2497} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HA )) 3.800 1.800 1.800 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 3.882 ppm2 4.250 CV 1 OR { 2497} (( segid " " and resid 45 and name HA )) (( segid " " and resid 42 and name HA )) OR { 2497} (( segid " " and resid 75 and name HA )) (( segid " " and resid 73 and name HA )) OR { 2497} (( segid " " and resid 45 and name HA )) (( segid " " and resid 47 and name HA )) OR { 2497} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HA )) OR { 2497} (( segid " " and resid 45 and name HA )) (( segid " " and resid 71 and name HA )) ASSI { 2498} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.900 1.000 1.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.28015E-02 ppm1 4.305 ppm2 2.415 CV 1 OR { 2498} (( segid " " and resid 74 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 2499} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.34538E-02 ppm1 4.306 ppm2 2.211 CV 1 OR { 2499} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2505} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.700 0.900 0.900 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.21557E-02 ppm1 3.305 ppm2 1.628 CV 1 OR { 2505} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 2507} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.100 0.500 0.500 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.83182E-02 ppm1 3.883 ppm2 1.527 CV 1 OR { 2507} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 2507} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2508} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 3.200 1.300 1.300 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 3.881 ppm2 1.351 CV 1 OR { 2508} (( segid " " and resid 75 and name HA )) (( segid " " and resid 5 and name HB2 )) ASSI { 2511} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.89897E-02 ppm1 4.276 ppm2 1.891 CV 1 OR { 2511} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2512} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.51869E-02 ppm1 4.305 ppm2 1.694 CV 1 OR { 2512} (( segid " " and resid 52 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 2521} (( segid " " and resid 10 and name HA )) (( segid " " and resid 14 and name HB1 )) 4.600 2.600 1.400 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.42972E-03 ppm1 4.211 ppm2 2.011 CV 1 OR { 2521} (( segid " " and resid 10 and name HA )) (( segid " " and resid 52 and name HG )) OR { 2521} (( segid " " and resid 10 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 2521} (( segid " " and resid 10 and name HA )) (( segid " " and resid 12 and name HB1 )) ASSI { 2533} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) 3.200 1.300 1.300 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.26517E-02 ppm1 3.884 ppm2 1.123 CV 1 OR { 2533} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 2534} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HG )) 4.000 2.000 2.000 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.87627E-03 ppm1 3.885 ppm2 1.004 CV 1 OR { 2534} (( segid " " and resid 75 and name HA )) ( segid " " and resid 82 and name HD1%) OR { 2534} (( segid " " and resid 45 and name HA )) (( segid " " and resid 74 and name HG )) OR { 2534} (( segid " " and resid 75 and name HA )) ( segid " " and resid 82 and name HD2%) ASSI { 2535} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD1%) 2.300 0.700 0.700 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.99788E-02 ppm1 4.209 ppm2 1.041 CV 1 OR { 2535} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 2536} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD1%) 3.200 1.300 1.300 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.12671E-02 ppm1 4.207 ppm2 0.868 CV 1 OR { 2536} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 2537} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.92322E-03 ppm1 4.210 ppm2 0.780 CV 1 OR { 2537} (( segid " " and resid 10 and name HA )) ( segid " " and resid 14 and name HD1%) OR { 2537} (( segid " " and resid 10 and name HA )) ( segid " " and resid 78 and name HD1%) OR { 2537} (( segid " " and resid 10 and name HA )) ( segid " " and resid 31 and name HD2%) ASSI { 2539} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) 2.000 0.500 0.500 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.17754E-01 ppm1 4.304 ppm2 1.045 CV 1 OR { 2539} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD2%) OR { 2539} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 2541} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 3.900 1.900 1.900 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.18613E-02 ppm1 4.303 ppm2 0.852 CV 1 OR { 2541} (( segid " " and resid 74 and name HA )) ( segid " " and resid 60 and name HD1%) OR { 2541} (( segid " " and resid 52 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 2544} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD2%) 4.100 2.100 1.900 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 4.393 ppm2 0.877 CV 1 OR { 2544} (( segid " " and resid 14 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 2549} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.900 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.85760E-02 ppm1 4.681 ppm2 0.963 CV 1 OR { 2549} (( segid " " and resid 56 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 2549} (( segid " " and resid 58 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 2549} (( segid " " and resid 56 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 2556} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HA1 )) 3.400 1.400 1.400 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.21505E-02 ppm1 4.679 ppm2 4.087 CV 1 OR { 2556} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HA2 )) OR { 2556} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HA2 )) OR { 2556} (( segid " " and resid 56 and name HA )) (( segid " " and resid 55 and name HA )) OR { 2556} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HA1 )) OR { 2556} (( segid " " and resid 58 and name HA )) (( segid " " and resid 53 and name HA )) ASSI { 2566} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HN )) 3.500 1.500 1.500 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.85683E-03 ppm1 4.246 ppm2 8.749 CV 1 OR { 2566} (( segid " " and resid 73 and name HA )) (( segid " " and resid 75 and name HN )) ASSI { 2573} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.400 1.400 1.400 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.15783E-02 ppm1 4.234 ppm2 8.223 CV 1 OR { 2573} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HN )) OR { 2573} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2575} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.48194E-02 ppm1 4.260 ppm2 8.240 CV 1 OR { 2575} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) OR { 2575} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2578} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 3.400 1.400 1.400 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.14188E-02 ppm1 4.261 ppm2 8.485 CV 1 OR { 2578} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HN )) OR { 2578} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HN )) OR { 2578} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HN )) ASSI { 2581} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) 3.400 1.400 1.400 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 4.361 ppm2 7.712 CV 1 OR { 2581} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2584} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HD22)) 4.900 3.000 1.100 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.36058E-03 ppm1 3.886 ppm2 7.699 CV 1 OR { 2584} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 2593} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.600 0.800 0.800 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.37008E-02 ppm1 4.243 ppm2 2.751 CV 1 OR { 2593} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 2594} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.500 1.500 1.500 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.18719E-02 ppm1 4.261 ppm2 2.842 CV 1 OR { 2594} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG1 )) ASSI { 2600} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB )) 3.100 1.200 1.200 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 3.892 ppm2 1.927 CV 1 OR { 2600} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2605} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.500 0.800 0.800 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.61823E-02 ppm1 4.230 ppm2 1.648 CV 1 OR { 2605} (( segid " " and resid 51 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 2610} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.800 1.000 1.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 4.252 ppm2 1.525 CV 1 OR { 2610} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HG2 )) ASSI { 2627} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 2.900 1.000 1.000 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.43343E-02 ppm1 3.605 ppm2 1.527 CV 1 OR { 2627} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 2629} (( segid " " and resid 72 and name HA )) ( segid " " and resid 10 and name HD1%) 4.100 2.100 1.900 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 3.607 ppm2 1.037 CV 1 OR { 2629} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB2 )) ASSI { 2631} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD2%) 3.600 1.600 1.600 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.15019E-02 ppm1 3.603 ppm2 0.782 CV 1 OR { 2631} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 2634} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.700 1.700 1.700 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.85158E-03 ppm1 3.519 ppm2 1.889 CV 1 OR { 2634} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG )) ASSI { 2636} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 3.000 1.200 1.200 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.27819E-02 ppm1 3.518 ppm2 1.151 CV 1 OR { 2636} (( segid " " and resid 11 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 2637} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD2%) 3.000 1.200 1.200 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.22825E-02 ppm1 3.518 ppm2 0.892 CV 1 OR { 2637} (( segid " " and resid 11 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 2638} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HD2%) 3.300 1.300 1.300 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.16627E-02 ppm1 3.519 ppm2 0.790 CV 1 OR { 2638} (( segid " " and resid 11 and name HA )) ( segid " " and resid 31 and name HD2%) ASSI { 2641} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.300 0.600 0.600 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.98601E-02 ppm1 4.030 ppm2 2.023 CV 1 OR { 2641} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 2641} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 2643} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.700 0.900 0.900 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.32959E-02 ppm1 4.029 ppm2 1.686 CV 1 OR { 2643} (( segid " " and resid 12 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 2645} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG )) 3.800 1.800 1.800 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.16763E-02 ppm1 4.269 ppm2 1.375 CV 1 OR { 2645} (( segid " " and resid 42 and name HA )) ( segid " " and resid 65 and name HB% ) ASSI { 2647} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.800 1.000 1.000 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.36776E-02 ppm1 4.083 ppm2 2.762 CV 1 OR { 2647} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 2662} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HE )) 3.300 1.400 1.400 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.14045E-02 ppm1 4.299 ppm2 7.320 CV 1 OR { 2662} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 2663} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.200 1.300 1.300 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 3.519 ppm2 7.332 CV 1 OR { 2663} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 2671} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 3.200 1.200 1.200 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.16102E-02 ppm1 3.605 ppm2 8.716 CV 1 OR { 2671} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 2674} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.51184E-03 ppm1 4.075 ppm2 8.128 CV 1 OR { 2674} (( segid " " and resid 53 and name HA )) (( segid " " and resid 60 and name HN )) ASSI { 2675} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.300 1.400 1.400 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.11403E-02 ppm1 4.082 ppm2 8.033 CV 1 OR { 2675} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 2676} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.59577E-02 ppm1 4.565 ppm2 7.826 CV 1 OR { 2676} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2678} (( segid " " and resid 17 and name HA )) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.50238E-03 ppm1 4.562 ppm2 8.243 CV 1 OR { 2678} (( segid " " and resid 17 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2679} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HH21)) 5.500 3.800 0.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.39282E-03 ppm1 3.608 ppm2 6.900 CV 1 OR { 2679} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HH11)) OR { 2679} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HH22)) OR { 2679} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HH12)) ASSI { 2682} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.600 0.900 0.900 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.39576E-02 ppm1 4.665 ppm2 7.720 CV 1 OR { 2682} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2686} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.600 0.800 0.800 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.57235E-02 ppm1 4.382 ppm2 8.038 CV 1 OR { 2686} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 2687} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 3.400 1.500 1.500 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 4.436 ppm2 7.467 CV 1 OR { 2687} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) ASSI { 2691} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 2.000 0.500 0.500 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.22838E-01 ppm1 4.381 ppm2 4.110 CV 1 OR { 2691} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) OR { 2691} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 2708} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.86203E-02 ppm1 4.108 ppm2 8.041 CV 1 OR { 2708} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) OR { 2708} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) OR { 2708} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 2710} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HN )) 3.500 1.600 1.600 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.95227E-03 ppm1 4.329 ppm2 8.481 CV 1 OR { 2710} (( segid " " and resid 24 and name HA )) (( segid " " and resid 26 and name HN )) ASSI { 2713} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 4.373 ppm2 7.711 CV 1 OR { 2713} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2730} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 50 and name HB% ) 3.900 1.900 1.900 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.53325E-03 ppm1 4.109 ppm2 1.634 CV 1 OR { 2730} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 50 and name HB% ) OR { 2730} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HB2 )) OR { 2730} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HB2 )) ASSI { 2735} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HD1%) 2.800 1.000 1.000 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.31589E-02 ppm1 4.376 ppm2 0.868 CV 1 OR { 2735} (( segid " " and resid 3 and name HA )) ( segid " " and resid 4 and name HD1%) ASSI { 2738} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 3.200 1.300 1.300 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.28360E-02 ppm1 4.140 ppm2 7.823 CV 1 OR { 2738} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) ASSI { 2739} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.42635E-02 ppm1 4.053 ppm2 7.825 CV 1 OR { 2739} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 2742} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.34812E-02 ppm1 3.739 ppm2 8.273 CV 1 OR { 2742} (( segid " " and resid 78 and name HA )) (( segid " " and resid 82 and name HN )) ASSI { 2753} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.11268E-02 ppm1 4.135 ppm2 4.399 CV 1 OR { 2753} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 48 and name HB )) OR { 2753} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HA )) ASSI { 2754} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.99012E-03 ppm1 4.044 ppm2 4.402 CV 1 OR { 2754} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 48 and name HB )) OR { 2754} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HA )) ASSI { 2762} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HA )) 3.800 1.800 1.800 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.86902E-03 ppm1 3.796 ppm2 4.676 CV 1 OR { 2762} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) ASSI { 2763} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) 3.500 1.500 1.500 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.83047E-03 ppm1 3.749 ppm2 4.684 CV 1 OR { 2763} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HA )) ASSI { 2766} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 4.500 2.500 1.500 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.50032E-03 ppm1 4.139 ppm2 2.197 CV 1 OR { 2766} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 2767} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 51 and name HB1 )) 4.200 2.200 1.800 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.74344E-03 ppm1 4.051 ppm2 2.198 CV 1 OR { 2767} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) ASSI { 2773} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HB2 )) 4.900 3.100 1.100 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.59537E-03 ppm1 4.523 ppm2 2.745 CV 1 OR { 2773} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HB2 )) ASSI { 2775} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 3.000 1.100 1.100 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.20948E-02 ppm1 3.743 ppm2 1.938 CV 1 OR { 2775} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2778} (( segid " " and resid 78 and name HA )) (( segid " " and resid 58 and name HB )) 4.000 2.000 2.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.66288E-03 ppm1 3.745 ppm2 2.126 CV 1 OR { 2778} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 2778} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HG1 )) ASSI { 2780} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HB )) 5.000 3.100 1.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.35416E-03 ppm1 3.790 ppm2 2.127 CV 1 OR { 2780} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HG1 )) OR { 2780} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HG2 )) ASSI { 2781} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 4.000 2.000 2.000 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.76095E-03 ppm1 4.141 ppm2 1.531 CV 1 OR { 2781} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 18 and name HB% ) OR { 2781} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 49 and name HB% ) ASSI { 2782} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) 4.000 2.000 2.000 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.97857E-03 ppm1 4.051 ppm2 1.528 CV 1 OR { 2782} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) OR { 2782} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 49 and name HB% ) ASSI { 2784} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.200 0.600 0.600 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.84356E-02 ppm1 3.741 ppm2 0.859 CV 1 OR { 2784} (( segid " " and resid 78 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 2793} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.200 1.300 1.300 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.23268E-02 ppm1 3.938 ppm2 8.220 CV 1 OR { 2793} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 2796} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.800 0.800 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.41736E-02 ppm1 3.939 ppm2 8.447 CV 1 OR { 2796} (( segid " " and resid 15 and name HA )) (( segid " " and resid 26 and name HN )) ASSI { 2797} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 3.937 ppm2 7.831 CV 1 OR { 2797} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 2805} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name H28B)) 3.800 1.800 1.800 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.58079E-03 ppm1 4.346 ppm2 3.909 CV 1 OR { 2805} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 2806} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name H28B)) 4.100 2.100 1.900 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.45695E-03 ppm1 4.197 ppm2 3.911 CV 1 OR { 2806} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HA )) ASSI { 2809} (( segid " " and resid 71 and name HA )) (( segid " " and resid 31 and name HA )) 4.600 2.700 1.400 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.79347E-03 ppm1 4.226 ppm2 3.303 CV 1 OR { 2809} (( segid " " and resid 71 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 2812} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.28836E-02 ppm1 4.227 ppm2 2.421 CV 1 OR { 2812} (( segid " " and resid 71 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 2818} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB1 )) 3.400 1.400 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.12588E-02 ppm1 3.814 ppm2 2.082 CV 1 OR { 2818} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 2824} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG2%) 2.300 0.700 0.700 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.91469E-02 ppm1 3.813 ppm2 1.015 CV 1 OR { 2824} (( segid " " and resid 64 and name HA )) ( segid " " and resid 60 and name HG2%) ASSI { 2826} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD2%) 3.300 1.400 1.400 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.20645E-02 ppm1 4.223 ppm2 1.108 CV 1 OR { 2826} (( segid " " and resid 71 and name HA )) ( segid " " and resid 68 and name HG1%) OR { 2826} (( segid " " and resid 71 and name HA )) ( segid " " and resid 70 and name HG2%) OR { 2826} (( segid " " and resid 71 and name HA )) ( segid " " and resid 48 and name HG2%) ASSI { 2827} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HG )) 3.800 1.800 1.800 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.13998E-02 ppm1 4.226 ppm2 0.978 CV 1 OR { 2827} (( segid " " and resid 71 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 2828} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD1%) 4.400 2.400 1.600 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.69662E-03 ppm1 4.223 ppm2 0.770 CV 1 OR { 2828} (( segid " " and resid 71 and name HA )) ( segid " " and resid 31 and name HD2%) ASSI { 2831} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H31%) 4.400 2.400 1.600 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.32220E-03 ppm1 4.342 ppm2 1.075 CV 1 OR { 2831} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 2834} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.28683E-02 ppm1 3.863 ppm2 8.836 CV 1 OR { 2834} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 2841} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) 4.300 2.300 1.700 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.34490E-03 ppm1 3.954 ppm2 8.406 CV 1 OR { 2841} (( segid " " and resid 48 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 2843} (( segid " " and resid 48 and name HA )) (( segid " " and resid 50 and name HN )) 4.600 2.600 1.400 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.22905E-03 ppm1 3.961 ppm2 8.228 CV 1 OR { 2843} (( segid " " and resid 48 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 2854} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 3.700 1.700 1.700 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.71919E-03 ppm1 3.961 ppm2 4.407 CV 1 OR { 2854} (( segid " " and resid 48 and name HA )) (( segid " " and resid 14 and name HA )) ASSI { 2857} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB2 )) 4.900 3.000 1.100 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.32322E-03 ppm1 3.865 ppm2 2.707 CV 1 OR { 2857} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB1 )) OR { 2857} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HB2 )) ASSI { 2859} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.000 1.100 1.100 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.16716E-02 ppm1 3.954 ppm2 2.196 CV 1 OR { 2859} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB1 )) ASSI { 2860} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.200 1.300 1.300 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 3.955 ppm2 2.021 CV 1 OR { 2860} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 2861} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HB2 )) 4.300 2.300 1.700 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.35380E-03 ppm1 3.866 ppm2 2.024 CV 1 OR { 2861} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 2861} (( segid " " and resid 7 and name HA )) (( segid " " and resid 71 and name HB2 )) ASSI { 2863} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 3.865 ppm2 1.570 CV 1 OR { 2863} (( segid " " and resid 7 and name HA )) (( segid " " and resid 5 and name HB1 )) ASSI { 2867} (( segid " " and resid 48 and name HA )) ( segid " " and resid 52 and name HD2%) 4.700 2.800 1.300 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.28721E-03 ppm1 3.953 ppm2 1.014 CV 1 OR { 2867} (( segid " " and resid 48 and name HA )) ( segid " " and resid 60 and name HG2%) ASSI { 2868} (( segid " " and resid 48 and name HA )) ( segid " " and resid 50 and name HB% ) 3.700 1.700 1.700 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.97607E-03 ppm1 3.952 ppm2 1.676 CV 1 OR { 2868} (( segid " " and resid 48 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 2869} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD2%) 3.100 1.200 1.200 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.19657E-02 ppm1 3.863 ppm2 0.873 CV 1 OR { 2869} (( segid " " and resid 7 and name HA )) ( segid " " and resid 14 and name HD2%) ASSI { 2870} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD2%) 3.100 1.200 1.200 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.25742E-02 ppm1 3.863 ppm2 0.790 CV 1 OR { 2870} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 2886} (( segid " " and resid 7 and name HB )) ( segid " " and resid 31 and name HD2%) 4.600 2.600 1.400 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.45486E-03 ppm1 4.318 ppm2 0.783 CV 1 OR { 2886} (( segid " " and resid 7 and name HB )) ( segid " " and resid 75 and name HD1%) ASSI { 2893} (( segid " " and resid 3 and name HB )) ( segid " " and resid 82 and name HD1%) 3.600 1.600 1.600 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.15000E-02 ppm1 4.179 ppm2 0.979 CV 1 OR { 2893} (( segid " " and resid 3 and name HB )) ( segid " " and resid 4 and name HD2%) ASSI { 2894} (( segid " " and resid 24 and name HB )) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.45204E-03 ppm1 4.225 ppm2 8.478 CV 1 OR { 2894} (( segid " " and resid 24 and name HB )) (( segid " " and resid 23 and name HN )) OR { 2894} (( segid " " and resid 24 and name HB )) (( segid " " and resid 45 and name HN )) ASSI { 1} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.42780E-02 ppm1 8.485 ppm2 8.241 CV 1 OR { 1} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) OR { 1} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 9} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.400 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.74459E-02 ppm1 8.234 ppm2 4.258 CV 1 OR { 9} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) OR { 9} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 10} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 3.400 1.400 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 8.240 ppm2 3.885 CV 1 OR { 10} (( segid " " and resid 46 and name HN )) (( segid " " and resid 66 and name HA2 )) ASSI { 15} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.51502E-02 ppm1 8.237 ppm2 2.335 CV 1 OR { 15} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 19} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.67077E-02 ppm1 8.213 ppm2 2.262 CV 1 OR { 19} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 21} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.000 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.12072E-01 ppm1 8.228 ppm2 1.645 CV 1 OR { 21} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 23} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.15254E-02 ppm1 9.063 ppm2 1.629 CV 1 OR { 23} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB1 )) ASSI { 33} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) 3.800 1.800 1.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.71772E-03 ppm1 7.322 ppm2 4.300 CV 1 OR { 33} (( segid " " and resid 11 and name HE )) (( segid " " and resid 7 and name HB )) ASSI { 38} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 31 and name HB1 )) 4.100 2.100 1.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.53876E-03 ppm1 6.883 ppm2 1.643 CV 1 OR { 38} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG1 )) OR { 38} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 31 and name HB1 )) OR { 38} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 31 and name HB1 )) ASSI { 77} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.000 1.100 1.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 8.248 ppm2 8.469 CV 1 OR { 77} (( segid " " and resid 19 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 82} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.14516E-02 ppm1 7.713 ppm2 4.362 CV 1 OR { 82} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 85} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.200 2.200 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.56784E-03 ppm1 7.712 ppm2 3.005 CV 1 OR { 85} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 109} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) 3.100 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 7.671 ppm2 1.690 CV 1 OR { 109} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HG )) ASSI { 110} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB1 )) 3.000 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 7.672 ppm2 1.585 CV 1 OR { 110} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) OR { 110} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB1 )) ASSI { 113} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD2%) 4.100 2.100 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.70194E-03 ppm1 7.672 ppm2 0.962 CV 1 OR { 113} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 82 and name HD1%) ASSI { 116} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 82 and name HD1%) 3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.65595E-03 ppm1 7.324 ppm2 0.961 CV 1 OR { 116} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD2%) ASSI { 117} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 78 and name HG2%) 3.400 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 7.325 ppm2 0.878 CV 1 OR { 117} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD1%) OR { 117} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD2%) ASSI { 120} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) 3.600 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.15059E-02 ppm1 7.324 ppm2 1.692 CV 1 OR { 120} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HG )) ASSI { 121} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB1 )) 3.400 1.500 1.500 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12588E-02 ppm1 7.325 ppm2 1.580 CV 1 OR { 121} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HG )) OR { 121} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 82 and name HB2 )) OR { 121} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB1 )) ASSI { 124} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD2%) 3.800 1.800 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 7.669 ppm2 0.875 CV 1 OR { 124} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD1%) OR { 124} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 78 and name HG2%) ASSI { 134} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 4.600 2.700 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.35904E-03 ppm1 7.473 ppm2 4.239 CV 1 OR { 134} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 146} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 4.100 2.100 1.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.12979E-02 ppm1 8.418 ppm2 1.617 CV 1 OR { 146} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 147} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD2%) 4.100 2.100 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.68430E-03 ppm1 8.418 ppm2 0.965 CV 1 OR { 147} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 147} (( segid " " and resid 80 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 147} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 148} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HG2%) 4.200 2.300 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.58051E-03 ppm1 8.417 ppm2 0.870 CV 1 OR { 148} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD1%) ASSI { 154} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11172E-02 ppm1 8.417 ppm2 4.477 CV 1 OR { 154} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 155} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.13241E-02 ppm1 8.417 ppm2 4.270 CV 1 OR { 155} (( segid " " and resid 80 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 162} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 7.966 ppm2 4.684 CV 1 OR { 162} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 168} (( segid " " and resid 28 and name HN )) ( segid " " and resid 30 and name HD% ) 3.900 1.900 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.41943E-03 ppm1 8.557 ppm2 7.313 CV 1 OR { 168} (( segid " " and resid 28 and name HN )) (( segid " " and resid 11 and name HE )) ASSI { 175} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.500 1.500 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.17325E-02 ppm1 8.047 ppm2 1.627 CV 1 OR { 175} (( segid " " and resid 32 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 180} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.79058E-03 ppm1 8.046 ppm2 3.303 CV 1 OR { 180} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 188} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.500 2.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.51303E-03 ppm1 7.526 ppm2 2.776 CV 1 OR { 188} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 194} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) 4.600 2.600 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.72015E-03 ppm1 7.525 ppm2 8.129 CV 1 OR { 194} (( segid " " and resid 58 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 200} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB1 )) 4.300 2.300 1.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.47282E-03 ppm1 8.036 ppm2 2.203 CV 1 OR { 200} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HB1 )) ASSI { 201} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.10770E-02 ppm1 8.035 ppm2 2.764 CV 1 OR { 201} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HB2 )) ASSI { 203} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.90314E-02 ppm1 8.034 ppm2 4.106 CV 1 OR { 203} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 203} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 214} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.400 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 7.713 ppm2 4.370 CV 1 OR { 214} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 217} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.14284E-02 ppm1 7.713 ppm2 3.093 CV 1 OR { 217} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 218} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.800 1.800 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.12325E-02 ppm1 7.713 ppm2 2.994 CV 1 OR { 218} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 229} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.33885E-02 ppm1 8.917 ppm2 4.271 CV 1 OR { 229} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 232} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.32324E-02 ppm1 8.917 ppm2 2.866 CV 1 OR { 232} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 233} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) 5.100 3.200 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.25931E-03 ppm1 8.922 ppm2 1.516 CV 1 OR { 233} (( segid " " and resid 42 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 242} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.41470E-02 ppm1 8.247 ppm2 8.485 CV 1 OR { 242} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 248} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.200 1.300 1.300 peak 248 spectrum 1 weight 0.10000E+01 volume 0.29675E-02 ppm1 8.127 ppm2 4.092 CV 1 OR { 248} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) OR { 248} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 248} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 253} (( segid " " and resid 56 and name HN )) ( segid " " and resid 82 and name HD2%) 4.000 2.000 2.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 8.125 ppm2 0.988 CV 1 OR { 253} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) OR { 253} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 253} (( segid " " and resid 56 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 256} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.700 2.800 1.300 peak 256 spectrum 1 weight 0.10000E+01 volume 0.61489E-03 ppm1 7.820 ppm2 1.532 CV 1 OR { 256} (( segid " " and resid 17 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 263} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.15517E-02 ppm1 7.816 ppm2 4.388 CV 1 OR { 263} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) OR { 263} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 275} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.900 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.23957E-02 ppm1 9.029 ppm2 1.573 CV 1 OR { 275} (( segid " " and resid 6 and name HN )) (( segid " " and resid 10 and name HB2 )) OR { 275} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 305} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG1%) 4.600 2.600 1.400 peak 305 spectrum 1 weight 0.10000E+01 volume 0.44375E-03 ppm1 7.259 ppm2 0.964 CV 1 OR { 305} (( segid " " and resid 68 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 305} (( segid " " and resid 68 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 323} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.700 2.800 1.300 peak 323 spectrum 1 weight 0.10000E+01 volume 0.54449E-03 ppm1 8.836 ppm2 2.708 CV 1 OR { 323} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 323} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 324} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD2%) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.62951E-03 ppm1 8.836 ppm2 0.876 CV 1 OR { 324} (( segid " " and resid 7 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 325} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) 3.800 1.800 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.83541E-03 ppm1 8.836 ppm2 0.788 CV 1 OR { 325} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 326} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) 3.300 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.42536E-02 ppm1 8.836 ppm2 1.395 CV 1 OR { 326} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 327} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.700 2.700 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32545E-03 ppm1 8.838 ppm2 1.572 CV 1 OR { 327} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HB1 )) OR { 327} (( segid " " and resid 7 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 329} (( segid " " and resid 34 and name HN )) ( segid " " and resid 70 and name HG2%) 3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.15067E-02 ppm1 8.457 ppm2 1.059 CV 1 OR { 329} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 352} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.100 1.200 1.200 peak 352 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 7.968 ppm2 1.679 CV 1 OR { 352} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 354} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG2%) 4.000 2.000 2.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.65621E-03 ppm1 7.967 ppm2 1.129 CV 1 OR { 354} (( segid " " and resid 12 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 355} (( segid " " and resid 12 and name HN )) ( segid " " and resid 10 and name HD1%) 4.800 2.800 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.41903E-03 ppm1 7.968 ppm2 1.031 CV 1 OR { 355} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 355} (( segid " " and resid 12 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 356} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.000 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11907E-01 ppm1 7.968 ppm2 2.028 CV 1 OR { 356} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 356} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 356} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 361} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB1 )) 3.300 3.300 2.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.52238E-03 ppm1 7.969 ppm2 2.706 CV 1 OR { 361} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB2 )) OR { 361} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 367} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HN )) 3.600 3.600 2.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.81822E-03 ppm1 7.969 ppm2 8.242 CV 1 OR { 367} (( segid " " and resid 12 and name HN )) (( segid " " and resid 27 and name HN )) ASSI { 368} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) 4.400 2.400 1.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.36182E-03 ppm1 7.971 ppm2 4.209 CV 1 OR { 368} (( segid " " and resid 12 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 373} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.22137E-02 ppm1 8.631 ppm2 2.831 CV 1 OR { 373} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 374} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.34484E-02 ppm1 8.634 ppm2 2.744 CV 1 OR { 374} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 375} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.900 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.29368E-02 ppm1 8.632 ppm2 4.516 CV 1 OR { 375} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 402} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.400 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 7.746 ppm2 4.459 CV 1 OR { 402} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 429} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.700 0.900 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.37196E-02 ppm1 9.547 ppm2 4.364 CV 1 OR { 429} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 431} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.900 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.16774E-02 ppm1 9.548 ppm2 3.085 CV 1 OR { 431} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 432} (( segid " " and resid 36 and name HN )) (( segid " " and resid 69 and name HB1 )) 4.500 2.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.36082E-03 ppm1 9.547 ppm2 3.003 CV 1 OR { 432} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HB1 )) OR { 432} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 437} (( segid " " and resid 36 and name HN )) ( segid " " and resid 70 and name HG2%) 5.400 3.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.26600E-03 ppm1 9.550 ppm2 1.069 CV 1 OR { 437} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 440} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.500 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.85658E-03 ppm1 8.993 ppm2 4.237 CV 1 OR { 440} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 448} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG1 )) 4.400 2.400 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.58620E-03 ppm1 8.993 ppm2 2.180 CV 1 OR { 448} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 451} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.600 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.26608E-02 ppm1 8.993 ppm2 1.616 CV 1 OR { 451} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 453} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.300 2.400 1.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 8.993 ppm2 1.025 CV 1 OR { 453} (( segid " " and resid 72 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 454} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HG2%) 4.900 3.000 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.40326E-03 ppm1 8.993 ppm2 1.076 CV 1 OR { 454} (( segid " " and resid 72 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 456} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD2%) 4.500 2.600 1.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.46189E-03 ppm1 8.988 ppm2 0.778 CV 1 OR { 456} (( segid " " and resid 72 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 457} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD1%) 4.000 2.000 2.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 8.878 ppm2 0.966 CV 1 OR { 457} (( segid " " and resid 79 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 457} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 458} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.26801E-02 ppm1 8.879 ppm2 0.870 CV 1 OR { 458} (( segid " " and resid 79 and name HN )) ( segid " " and resid 4 and name HD1%) OR { 458} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 462} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB1 )) 4.200 2.200 1.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.61034E-03 ppm1 8.876 ppm2 2.026 CV 1 OR { 462} (( segid " " and resid 79 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 465} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG11)) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.85825E-03 ppm1 8.878 ppm2 1.714 CV 1 OR { 465} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 466} (( segid " " and resid 79 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.600 2.700 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.52518E-03 ppm1 8.879 ppm2 1.612 CV 1 OR { 466} (( segid " " and resid 79 and name HN )) ( segid " " and resid 81 and name HB% ) ASSI { 472} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) 4.000 2.000 2.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.44552E-03 ppm1 8.878 ppm2 4.283 CV 1 OR { 472} (( segid " " and resid 79 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 491} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG )) 3.500 1.500 1.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 8.684 ppm2 1.677 CV 1 OR { 491} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HG1 )) ASSI { 494} (( segid " " and resid 76 and name HN )) ( segid " " and resid 68 and name HG1%) 4.300 2.400 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.51391E-03 ppm1 8.691 ppm2 1.127 CV 1 OR { 494} (( segid " " and resid 76 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 496} (( segid " " and resid 3 and name HN )) ( segid " " and resid 82 and name HD1%) 4.500 2.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.22950E-03 ppm1 8.664 ppm2 0.981 CV 1 OR { 496} (( segid " " and resid 3 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 498} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD2%) 4.200 2.200 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.10724E-02 ppm1 8.693 ppm2 0.869 CV 1 OR { 498} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 499} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD1%) 4.400 2.400 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.62706E-03 ppm1 8.691 ppm2 0.787 CV 1 OR { 499} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 500} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.900 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.23505E-02 ppm1 8.316 ppm2 3.958 CV 1 OR { 500} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 504} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 8.316 ppm2 4.232 CV 1 OR { 504} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 507} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 4.000 2.000 2.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10985E-02 ppm1 8.315 ppm2 1.525 CV 1 OR { 507} (( segid " " and resid 48 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 510} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.900 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 8.316 ppm2 2.343 CV 1 OR { 510} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 515} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.80924E-03 ppm1 7.559 ppm2 8.464 CV 1 OR { 515} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 516} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.300 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.53384E-02 ppm1 7.562 ppm2 7.714 CV 1 OR { 516} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 517} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.200 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 7.562 ppm2 4.364 CV 1 OR { 517} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 523} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.300 1.400 1.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 7.563 ppm2 2.154 CV 1 OR { 523} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 528} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.500 3.500 2.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.38226E-03 ppm1 7.564 ppm2 1.624 CV 1 OR { 528} (( segid " " and resid 37 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 535} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.300 1.300 1.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.39322E-02 ppm1 7.506 ppm2 1.628 CV 1 OR { 535} (( segid " " and resid 31 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 537} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.20644E-02 ppm1 7.508 ppm2 3.304 CV 1 OR { 537} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 538} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.300 2.400 1.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.47406E-03 ppm1 7.508 ppm2 3.013 CV 1 OR { 538} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 542} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) 4.100 2.100 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.64922E-03 ppm1 7.507 ppm2 7.205 CV 1 OR { 542} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HE% ) ASSI { 543} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.100 0.600 0.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.60654E-02 ppm1 7.508 ppm2 8.038 CV 1 OR { 543} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 549} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.200 1.300 1.300 peak 549 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 7.396 ppm2 4.511 CV 1 OR { 549} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 555} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.88281E-03 ppm1 7.397 ppm2 2.744 CV 1 OR { 555} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 561} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) 4.600 2.700 1.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.64671E-03 ppm1 8.986 ppm2 0.860 CV 1 OR { 561} (( segid " " and resid 53 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 561} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 562} (( segid " " and resid 53 and name HN )) (( segid " " and resid 78 and name HG11)) 5.500 3.800 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13901E-03 ppm1 8.987 ppm2 1.742 CV 1 OR { 562} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HG2 )) ASSI { 563} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.38298E-03 ppm1 8.988 ppm2 1.647 CV 1 OR { 563} (( segid " " and resid 53 and name HN )) ( segid " " and resid 81 and name HB% ) ASSI { 567} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.400 1.500 1.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.20007E-02 ppm1 8.983 ppm2 2.214 CV 1 OR { 567} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB1 )) ASSI { 571} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 8.986 ppm2 4.254 CV 1 OR { 571} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 572} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.32267E-02 ppm1 8.985 ppm2 4.086 CV 1 OR { 572} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 572} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 574} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.57716E-03 ppm1 8.983 ppm2 8.122 CV 1 OR { 574} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 575} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.27013E-02 ppm1 8.985 ppm2 8.037 CV 1 OR { 575} (( segid " " and resid 53 and name HN )) (( segid " " and resid 55 and name HN )) ASSI { 581} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HZ )) 3.200 1.300 1.300 peak 581 spectrum 1 weight 0.10000E+01 volume 0.20615E-02 ppm1 8.835 ppm2 7.331 CV 1 OR { 581} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE )) ASSI { 588} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.900 1.900 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.29314E-03 ppm1 8.834 ppm2 3.032 CV 1 OR { 588} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 590} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.800 1.800 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 8.834 ppm2 1.905 CV 1 OR { 590} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HG1 )) ASSI { 592} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB1 )) 3.600 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.55623E-03 ppm1 8.834 ppm2 2.707 CV 1 OR { 592} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) OR { 592} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 593} (( segid " " and resid 11 and name HN )) ( segid " " and resid 13 and name HB% ) 4.500 2.600 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.42102E-03 ppm1 8.835 ppm2 1.678 CV 1 OR { 593} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 595} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.900 1.900 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.13656E-02 ppm1 8.834 ppm2 1.391 CV 1 OR { 595} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 597} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.000 2.000 2.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.83836E-03 ppm1 8.836 ppm2 1.045 CV 1 OR { 597} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 598} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD2%) 4.300 2.300 1.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.59451E-03 ppm1 8.835 ppm2 0.885 CV 1 OR { 598} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD1%) OR { 598} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 599} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HD2%) 4.400 2.500 1.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.57225E-03 ppm1 8.835 ppm2 0.789 CV 1 OR { 599} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD1%) OR { 599} (( segid " " and resid 11 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 601} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG2%) 3.700 1.700 1.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 8.398 ppm2 1.121 CV 1 OR { 601} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 602} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD1%) 4.100 2.100 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.82900E-03 ppm1 8.396 ppm2 1.036 CV 1 OR { 602} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 602} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 603} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 4.000 2.000 2.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 8.395 ppm2 0.888 CV 1 OR { 603} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 607} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) 3.200 1.300 1.300 peak 607 spectrum 1 weight 0.10000E+01 volume 0.41527E-02 ppm1 8.396 ppm2 1.884 CV 1 OR { 607} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 610} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.30331E-02 ppm1 8.395 ppm2 4.398 CV 1 OR { 610} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 614} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.900 1.100 1.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 8.107 ppm2 4.234 CV 1 OR { 614} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 615} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.400 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 8.106 ppm2 3.950 CV 1 OR { 615} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 617} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.800 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.28162E-02 ppm1 8.108 ppm2 2.019 CV 1 OR { 617} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HG )) ASSI { 627} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 4.100 2.100 1.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.95901E-03 ppm1 7.699 ppm2 1.909 CV 1 OR { 627} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 628} (( segid " " and resid 13 and name HN )) ( segid " " and resid 52 and name HD2%) 4.300 2.300 1.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 7.699 ppm2 1.037 CV 1 OR { 628} (( segid " " and resid 13 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 631} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) 2.800 1.000 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.40038E-02 ppm1 8.233 ppm2 1.518 CV 1 OR { 631} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 635} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.51268E-02 ppm1 8.239 ppm2 8.479 CV 1 OR { 635} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) ASSI { 640} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.31224E-02 ppm1 8.213 ppm2 7.819 CV 1 OR { 640} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 642} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14578E-02 ppm1 8.276 ppm2 4.905 CV 1 OR { 642} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HA )) ASSI { 644} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.300 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.17234E-02 ppm1 8.274 ppm2 4.463 CV 1 OR { 644} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) ASSI { 645} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.300 1.300 1.300 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14461E-02 ppm1 8.214 ppm2 4.396 CV 1 OR { 645} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) OR { 645} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 647} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.100 1.200 1.200 peak 647 spectrum 1 weight 0.10000E+01 volume 0.20819E-02 ppm1 8.266 ppm2 4.285 CV 1 OR { 647} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HA )) OR { 647} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 650} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.800 1.800 1.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.79635E-03 ppm1 8.212 ppm2 4.036 CV 1 OR { 650} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 654} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.000 1.100 1.100 peak 654 spectrum 1 weight 0.10000E+01 volume 0.55804E-02 ppm1 8.273 ppm2 2.020 CV 1 OR { 654} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 655} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.000 0.500 0.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.91527E-02 ppm1 8.271 ppm2 1.927 CV 1 OR { 655} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) ASSI { 658} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.600 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.51286E-02 ppm1 8.275 ppm2 1.621 CV 1 OR { 658} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 659} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.400 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.33343E-02 ppm1 8.274 ppm2 1.551 CV 1 OR { 659} (( segid " " and resid 82 and name HN )) ( segid " " and resid 85 and name HB% ) ASSI { 660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.700 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.17097E-02 ppm1 8.247 ppm2 1.394 CV 1 OR { 660} (( segid " " and resid 8 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 665} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) 3.000 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.43833E-02 ppm1 8.273 ppm2 0.969 CV 1 OR { 665} (( segid " " and resid 82 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 665} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 665} (( segid " " and resid 82 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 665} (( segid " " and resid 78 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 665} (( segid " " and resid 78 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 666} (( segid " " and resid 82 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.300 1.300 peak 666 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 8.271 ppm2 0.872 CV 1 OR { 666} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 667} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.800 1.800 1.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.20848E-02 ppm1 8.271 ppm2 0.795 CV 1 OR { 667} (( segid " " and resid 78 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 668} (( segid " " and resid 78 and name HN )) ( segid " " and resid 5 and name HD1%) 4.800 2.800 1.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.54503E-03 ppm1 8.271 ppm2 0.614 CV 1 OR { 668} (( segid " " and resid 82 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 685} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 2.300 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.56428E-02 ppm1 8.401 ppm2 2.035 CV 1 OR { 685} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 686} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.47526E-02 ppm1 8.401 ppm2 2.206 CV 1 OR { 686} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 695} (( segid " " and resid 52 and name HN )) ( segid " " and resid 50 and name HB% ) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.98627E-03 ppm1 8.399 ppm2 1.658 CV 1 OR { 695} (( segid " " and resid 52 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 702} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 1.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.21733E-02 ppm1 8.487 ppm2 2.219 CV 1 OR { 702} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 703} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) 2.700 0.900 0.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.55314E-02 ppm1 8.495 ppm2 2.341 CV 1 OR { 703} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 706} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 8.401 ppm2 3.954 CV 1 OR { 706} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 710} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 3.500 1.500 1.500 peak 710 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 8.401 ppm2 4.235 CV 1 OR { 710} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 712} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 8.452 ppm2 4.394 CV 1 OR { 712} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) OR { 712} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 713} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HN )) 4.000 2.000 2.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.40818E-03 ppm1 8.448 ppm2 7.827 CV 1 OR { 713} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 720} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 3.900 1.900 1.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.88384E-03 ppm1 7.885 ppm2 8.838 CV 1 OR { 720} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 731} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.500 2.500 1.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.65698E-03 ppm1 7.886 ppm2 1.574 CV 1 OR { 731} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 734} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.43222E-02 ppm1 7.709 ppm2 2.421 CV 1 OR { 734} (( segid " " and resid 74 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 740} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 4.100 2.100 1.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 7.708 ppm2 0.968 CV 1 OR { 740} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 740} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 741} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD2%) 3.500 1.600 1.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.14781E-02 ppm1 8.727 ppm2 1.124 CV 1 OR { 741} (( segid " " and resid 75 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 742} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD2%) 3.900 1.900 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.96401E-03 ppm1 8.728 ppm2 1.051 CV 1 OR { 742} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 742} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 743} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 4.600 2.700 1.400 peak 743 spectrum 1 weight 0.10000E+01 volume 0.63360E-03 ppm1 8.727 ppm2 0.966 CV 1 OR { 743} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 743} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 746} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.27827E-02 ppm1 8.728 ppm2 1.694 CV 1 OR { 746} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 752} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.59463E-03 ppm1 8.730 ppm2 4.225 CV 1 OR { 752} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 757} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.900 1.000 1.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.27851E-02 ppm1 8.493 ppm2 4.237 CV 1 OR { 757} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 759} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HB% ) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.58978E-03 ppm1 8.490 ppm2 1.534 CV 1 OR { 759} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 763} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.400 2.400 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.69213E-03 ppm1 8.068 ppm2 0.985 CV 1 OR { 763} (( segid " " and resid 55 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 763} (( segid " " and resid 55 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 768} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.56611E-02 ppm1 8.070 ppm2 4.098 CV 1 OR { 768} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 768} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 768} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 776} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.22422E-02 ppm1 8.461 ppm2 4.282 CV 1 OR { 776} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 781} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.200 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.82137E-02 ppm1 8.462 ppm2 1.507 CV 1 OR { 781} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 784} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.500 1.500 1.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.37038E-03 ppm1 8.462 ppm2 1.844 CV 1 OR { 784} (( segid " " and resid 45 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 789} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA2 )) 2.700 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.29624E-02 ppm1 8.065 ppm2 3.870 CV 1 OR { 789} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 790} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.900 1.100 1.100 peak 790 spectrum 1 weight 0.10000E+01 volume 0.23646E-02 ppm1 8.064 ppm2 4.573 CV 1 OR { 790} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 791} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 2.700 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.58321E-02 ppm1 8.064 ppm2 3.024 CV 1 OR { 791} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) ASSI { 794} (( segid " " and resid 40 and name HN )) ( segid " " and resid 38 and name HD1%) 4.000 2.000 2.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 8.064 ppm2 0.874 CV 1 OR { 794} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD1%) OR { 794} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 795} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 3.900 1.900 1.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.10156E-02 ppm1 8.065 ppm2 0.788 CV 1 OR { 795} (( segid " " and resid 10 and name HN )) ( segid " " and resid 31 and name HD2%) OR { 795} (( segid " " and resid 10 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 798} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD1%) 3.700 1.700 1.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.19023E-02 ppm1 8.065 ppm2 1.042 CV 1 OR { 798} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 800} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.52704E-02 ppm1 8.065 ppm2 1.566 CV 1 OR { 800} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG12)) ASSI { 801} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.400 2.500 1.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.70271E-03 ppm1 8.064 ppm2 2.043 CV 1 OR { 801} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 801} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 805} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.000 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.19835E-02 ppm1 8.064 ppm2 4.362 CV 1 OR { 805} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 808} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.51533E-02 ppm1 8.063 ppm2 7.713 CV 1 OR { 808} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 812} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA )) 4.000 2.000 2.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.53003E-03 ppm1 7.959 ppm2 4.458 CV 1 OR { 812} (( segid " " and resid 83 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 820} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD2%) 3.500 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.14279E-02 ppm1 7.958 ppm2 0.978 CV 1 OR { 820} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 821} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD1%) 2.900 1.100 1.100 peak 821 spectrum 1 weight 0.10000E+01 volume 0.10058E-02 ppm1 7.958 ppm2 0.880 CV 1 OR { 821} (( segid " " and resid 83 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 836} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 3.100 1.200 1.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.37225E-02 ppm1 8.211 ppm2 0.982 CV 1 OR { 836} (( segid " " and resid 65 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 841} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.000 1.100 1.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.19691E-02 ppm1 8.035 ppm2 3.296 CV 1 OR { 841} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 848} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.80398E-03 ppm1 8.035 ppm2 7.206 CV 1 OR { 848} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 858} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 4.000 2.000 2.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.59170E-03 ppm1 7.208 ppm2 3.299 CV 1 OR { 858} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 859} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.000 2.000 2.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.56428E-03 ppm1 7.204 ppm2 3.023 CV 1 OR { 859} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 862} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG1 )) 5.000 3.100 1.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.34372E-03 ppm1 7.205 ppm2 2.178 CV 1 OR { 862} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 870} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) 5.000 3.100 1.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.48746E-03 ppm1 8.831 ppm2 1.026 CV 1 OR { 870} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 885} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) 3.900 1.900 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 8.483 ppm2 1.080 CV 1 OR { 885} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 893} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HD2 )) 5.000 3.100 1.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.50354E-03 ppm1 8.487 ppm2 2.788 CV 1 OR { 893} (( segid " " and resid 35 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 895} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 895 spectrum 1 weight 0.10000E+01 volume 0.89564E-03 ppm1 8.489 ppm2 4.369 CV 1 OR { 895} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 912} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) 3.600 1.600 1.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.19214E-02 ppm1 8.009 ppm2 0.960 CV 1 OR { 912} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 912} (( segid " " and resid 77 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 915} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HB% ) 2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.34314E-02 ppm1 7.968 ppm2 1.523 CV 1 OR { 915} (( segid " " and resid 41 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 925} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG2%) 5.300 3.600 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.21623E-03 ppm1 7.841 ppm2 1.123 CV 1 OR { 925} (( segid " " and resid 18 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 928} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HB )) 4.400 2.500 1.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.31013E-03 ppm1 7.840 ppm2 2.261 CV 1 OR { 928} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 932} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.400 1.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.15531E-02 ppm1 7.840 ppm2 4.052 CV 1 OR { 932} (( segid " " and resid 18 and name HN )) (( segid " " and resid 23 and name HA1 )) OR { 932} (( segid " " and resid 18 and name HN )) (( segid " " and resid 23 and name HA2 )) ASSI { 933} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.10616E-02 ppm1 7.840 ppm2 3.942 CV 1 OR { 933} (( segid " " and resid 18 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 948} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 3.200 1.300 1.300 peak 948 spectrum 1 weight 0.10000E+01 volume 0.18681E-02 ppm1 8.606 ppm2 8.466 CV 1 OR { 948} (( segid " " and resid 25 and name HN )) (( segid " " and resid 15 and name HN )) ASSI { 951} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.600 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.39896E-02 ppm1 8.764 ppm2 3.951 CV 1 OR { 951} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 954} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.200 1.300 1.300 peak 954 spectrum 1 weight 0.10000E+01 volume 0.16881E-02 ppm1 8.763 ppm2 4.252 CV 1 OR { 954} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) OR { 954} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 966} (( segid " " and resid 49 and name HN )) ( segid " " and resid 60 and name HG2%) 4.500 2.600 1.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.48012E-03 ppm1 8.763 ppm2 1.038 CV 1 OR { 966} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 966} (( segid " " and resid 49 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 967} (( segid " " and resid 49 and name HN )) (( segid " " and resid 74 and name HG )) 4.300 2.300 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.56489E-03 ppm1 8.762 ppm2 0.969 CV 1 OR { 967} (( segid " " and resid 49 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 967} (( segid " " and resid 49 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 968} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD1%) 4.500 2.500 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.44595E-03 ppm1 8.763 ppm2 0.867 CV 1 OR { 968} (( segid " " and resid 49 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 972} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.500 2.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.42465E-03 ppm1 8.764 ppm2 2.197 CV 1 OR { 972} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) OR { 972} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 978} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HN )) 3.500 1.600 1.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.15453E-02 ppm1 7.826 ppm2 7.961 CV 1 OR { 978} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) ASSI { 981} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.27958E-02 ppm1 7.764 ppm2 4.277 CV 1 OR { 981} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 988} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.400 2.400 1.600 peak 988 spectrum 1 weight 0.10000E+01 volume 0.27954E-03 ppm1 7.767 ppm2 2.864 CV 1 OR { 988} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 997} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG2%) 4.100 2.100 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 7.582 ppm2 0.971 CV 1 OR { 997} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 997} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 997} (( segid " " and resid 81 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 998} (( segid " " and resid 81 and name HN )) ( segid " " and resid 78 and name HG2%) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.83022E-03 ppm1 7.582 ppm2 0.865 CV 1 OR { 998} (( segid " " and resid 81 and name HN )) ( segid " " and resid 4 and name HD1%) ASSI { 1010} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 4.600 2.600 1.400 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.81822E-03 ppm1 9.428 ppm2 1.700 CV 1 OR { 1010} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 1014} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD1%) 3.000 1.200 1.200 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.23496E-02 ppm1 9.428 ppm2 0.972 CV 1 OR { 1014} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 1015} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HG2%) 3.600 1.600 1.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.17330E-02 ppm1 9.428 ppm2 0.878 CV 1 OR { 1015} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) OR { 1015} (( segid " " and resid 5 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 1020} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.17262E-02 ppm1 8.145 ppm2 0.963 CV 1 OR { 1020} (( segid " " and resid 4 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 1027} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 1.900 0.500 0.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.18860E-01 ppm1 8.146 ppm2 4.383 CV 1 OR { 1027} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 1028} (( segid " " and resid 4 and name HN )) (( segid " " and resid 2 and name HA )) 4.200 2.200 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.23630E-03 ppm1 8.146 ppm2 4.300 CV 1 OR { 1028} (( segid " " and resid 4 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 1040} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 4.200 2.200 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.85344E-03 ppm1 8.114 ppm2 1.021 CV 1 OR { 1040} (( segid " " and resid 60 and name HN )) ( segid " " and resid 64 and name HG2%) ASSI { 1050} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG1%) 4.400 2.400 1.600 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.54849E-03 ppm1 8.026 ppm2 0.962 CV 1 OR { 1050} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 1052} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HG1 )) 3.300 1.400 1.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.48038E-03 ppm1 8.030 ppm2 2.834 CV 1 OR { 1052} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB1 )) OR { 1052} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 1053} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.600 1.700 1.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.39988E-03 ppm1 8.029 ppm2 2.750 CV 1 OR { 1053} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB2 )) OR { 1053} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HG2 )) ASSI { 1055} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 4.000 2.000 2.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.44568E-03 ppm1 8.027 ppm2 4.439 CV 1 OR { 1055} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HA ))
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