NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
642087 |
6pq2   |
30628 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 3: test_noe.tbl assign (resid 95 and name HD1* ) (resid 100 and name HG2* ) 3.64 1.84 1.84 !peak 5 #SUP 0.68 #QF 0.68 assign (resid 130 and name HB* ) (resid 180 and name HD2* ) 2.85 1.05 1.05 !peak 13 #SUP 0.88 #QF 0.88 assign (resid 130 and name HB* ) (resid 178 and name HG1* ) 3.02 1.22 1.22 !peak 14 #SUP 0.65 #QF 0.65 assign (resid 127 and name HD2* ) (resid 130 and name HB* ) 3.52 1.72 1.72 !peak 18 #SUP 0.84 #QF 0.84 assign (resid 121 and name HB* ) (resid 138 and name HG2* ) 4.21 2.41 2.41 !peak 25 #SUP 0.93 #QF 0.93 assign (resid 100 and name HG2* ) (resid 121 and name HB* ) 3.49 1.69 1.69 !peak 27 #SUP 0.47 #QF 0.47 assign (resid 97 and name HD1* ) (resid 138 and name HG1* ) 3.19 1.39 1.39 !peak 30 #SUP 0.99 #QF 0.98 assign (resid 97 and name HD1* ) (resid 138 and name HG2* ) 3.19 1.39 1.39 !peak 32 #SUP 1.00 assign (resid 161 and name HG2* ) (resid 174 and name HD2* ) 3.11 1.31 1.31 !peak 39 #SUP 0.88 #QF 0.88 assign (resid 161 and name HG2* ) (resid 176 and name HD2* ) 3.90 2.10 2.10 !peak 40 #SUP 0.53 #QF 0.53 assign (resid 138 and name HG1* ) (resid 176 and name HD1* ) 3.96 2.16 2.16 !peak 85 #SUP 0.90 #QF 0.90 assign (resid 136 and name HG1 ) (resid 138 and name HG1* ) 3.66 1.86 1.86 !peak 86 #SUP 0.94 #QF 0.70 assign (resid 138 and name HG1* ) (resid 176 and name HD2* ) 3.90 2.10 2.10 !peak 89 #SUP 0.94 #QF 0.76 assign (resid 147 and name HG2* ) (resid 176 and name HD1* ) 2.83 1.03 1.03 !peak 113 #SUP 0.84 #QF 0.84 assign (resid 100 and name HG2* ) (resid 119 and name HD2* ) 3.61 1.81 1.81 !peak 175 #SUP 0.99 #QF 0.95 assign (resid 119 and name HD2* ) (resid 141 and name HB* ) 3.96 2.16 2.16 !peak 177 #SUP 0.77 #QF 0.77 assign (resid 125 and name HD2* ) (resid 178 and name HG2* ) 2.89 1.09 1.09 !peak 179 #SUP 1.00 assign (resid 153 and name HG1* ) (resid 178 and name HG2* ) 2.80 1.00 1.00 !peak 185 #SUP 0.99 #QF 0.99 assign (resid 149 and name HG2* ) (resid 178 and name HG2* ) 3.34 1.54 1.54 !peak 186 #SUP 0.98 #QF 0.95 assign (resid 161 and name HG1* ) (resid 164 and name HE* ) 3.57 1.77 1.77 !peak 186 #SUP 0.98 #QF 0.95 assign (resid 125 and name HD1* ) (resid 149 and name HG2* ) 3.38 1.58 1.58 !peak 197 #SUP 0.99 #QF 0.99 assign (resid 158 and name HG1* ) (resid 175 and name HD2* ) 3.10 1.30 1.30 !peak 203 #SUP 0.99 #QF 0.98 assign (resid 98 and name HD2* ) (resid 176 and name HD2* ) 3.03 1.23 1.23 !peak 216 #SUP 1.00 assign (resid 95 and name HD2* ) (resid 100 and name HG2* ) 3.64 1.84 1.84 !peak 235 #SUP 0.85 #QF 0.85 assign (resid 158 and name HG1* ) (resid 175 and name HD1* ) 3.61 1.81 1.81 !peak 240 #SUP 1.00 assign (resid 123 and name HD1* ) (resid 176 and name HD2* ) 3.08 1.28 1.28 !peak 248 #SUP 0.54 #QF 0.54 assign (resid 97 and name HD1* ) (resid 176 and name HD2* ) 3.19 1.39 1.39 !peak 249 #SUP 0.93 #QF 0.93 assign (resid 123 and name HD2* ) (resid 176 and name HD2* ) 3.08 1.28 1.28 !peak 251 #SUP 0.84 #QF 0.84 assign (resid 147 and name HG1* ) (resid 176 and name HD2* ) 3.21 1.41 1.41 !peak 253 #SUP 0.92 #QF 0.82 assign (resid 147 and name HG2* ) (resid 176 and name HD2* ) 3.21 1.41 1.41 !peak 253 #SUP 0.92 #QF 0.82 assign (resid 138 and name HG2* ) (resid 176 and name HD2* ) 3.90 2.10 2.10 !peak 257 #SUP 0.97 #QF 0.97 assign (resid 119 and name HD1* ) (resid 174 and name HD1* ) 3.02 1.22 1.22 !peak 261 #SUP 0.81 #QF 0.81 assign (resid 100 and name HG2* ) (resid 119 and name HD1* ) 3.79 1.99 1.99 !peak 263 #SUP 0.96 #QF 0.96 assign (resid 127 and name HD2* ) (resid 180 and name HD1* ) 3.05 1.25 1.24 !peak 271 #SUP 0.77 #QF 0.77 assign (resid 178 and name HG1* ) (resid 180 and name HD1* ) 3.49 1.69 1.69 !peak 274 #SUP 0.82 #QF 0.82 assign (resid 130 and name HB* ) (resid 180 and name HD1* ) 3.73 1.93 1.93 !peak 276 #SUP 0.96 #QF 0.96 assign (resid 177 and name HG1* ) (resid 179 and name HG1 ) 4.13 2.33 2.33 !peak 298 #SUP 0.74 #QF 0.64 assign (resid 177 and name HG2* ) (resid 179 and name HG1 ) 4.13 2.33 2.33 !peak 298 #SUP 0.74 #QF 0.64 assign (resid 148 and name HG1 ) (resid 149 and name HG2* ) 3.61 1.81 1.81 !peak 318 #SUP 0.85 #QF 0.85 assign (resid 121 and name HB* ) (resid 138 and name HG1* ) 4.21 2.41 2.41 !peak 336 #SUP 0.84 #QF 0.84 assign (resid 161 and name HG1* ) (resid 174 and name HD2* ) 3.00 1.20 1.20 !peak 341 #SUP 0.81 #QF 0.81 assign (resid 125 and name HD2* ) (resid 149 and name HG11 ) 2.55 0.75 0.75 !peak 345 #SUP 0.73 #QF 0.73 assign (resid 125 and name HD2* ) (resid 178 and name HG1* ) 2.75 0.95 0.95 !peak 351 #SUP 0.86 #QF 0.86 assign (resid 136 and name HG1 ) (resid 138 and name HG2* ) 3.66 1.86 1.86 !peak 362 #SUP 0.95 #QF 0.44 assign (resid 125 and name HD2* ) (resid 149 and name HD1* ) 2.82 1.02 1.03 !peak 374 #SUP 1.00 #QF 0.91 assign (resid 123 and name HD1* ) (resid 149 and name HD1* ) 3.62 1.82 1.82 !peak 375 #SUP 0.86 #QF 0.86 assign (resid 123 and name HD2* ) (resid 149 and name HD1* ) 3.62 1.82 1.82 !peak 376 #SUP 0.86 #QF 0.86 assign (resid 125 and name HD1* ) (resid 149 and name HD1* ) 3.08 1.28 1.28 !peak 377 #SUP 0.98 #QF 0.98 assign (resid 149 and name HG2* ) (resid 149 and name HD1* ) 2.83 1.03 1.03 !peak 379 #SUP 0.99 #QF 0.99 assign (resid 149 and name HG2* ) (resid 153 and name HG1* ) 3.25 1.45 1.45 !peak 401 #SUP 1.00 assign (resid 125 and name HD2* ) (resid 153 and name HG2* ) 3.25 1.45 1.45 !peak 407 #SUP 1.00 assign (resid 149 and name HG2* ) (resid 153 and name HG2* ) 3.47 1.67 1.67 !peak 413 #SUP 1.00 assign (resid 158 and name HG2* ) (resid 175 and name HD1* ) 3.61 1.81 1.81 !peak 416 #SUP 0.63 #QF 0.63 assign (resid 159 and name HD1* ) (resid 178 and name HG2* ) 2.92 1.12 1.12 !peak 421 #SUP 0.99 #QF 0.99 assign (resid 153 and name HG2* ) (resid 159 and name HD1* ) 3.01 1.21 1.21 !peak 422 #SUP 0.98 #QF 0.97 assign (resid 153 and name HG1* ) (resid 159 and name HD1* ) 3.39 1.59 1.59 !peak 424 #SUP 0.99 #QF 0.99 assign (resid 149 and name HG2* ) (resid 159 and name HD1* ) 2.83 1.03 1.03 !peak 425 #SUP 0.98 #QF 0.98 assign (resid 159 and name HG2* ) (resid 161 and name HG1* ) 3.60 1.80 1.80 !peak 430 #SUP 1.00 assign (resid 159 and name HG2* ) (resid 178 and name HG2* ) 3.95 2.15 2.15 !peak 430 #SUP 1.00 assign (resid 159 and name HG2* ) (resid 161 and name HG2* ) 2.89 1.09 1.09 !peak 432 #SUP 0.98 #QF 0.98 assign (resid 159 and name HG2* ) (resid 159 and name HD1* ) 2.73 0.93 0.93 !peak 435 #SUP 1.00 assign (resid 98 and name HD1* ) (resid 176 and name HD1* ) 3.40 1.60 1.60 !peak 442 #SUP 1.00 #QF 0.96 assign (resid 98 and name HD2* ) (resid 176 and name HD1* ) 3.40 1.60 1.60 !peak 443 #SUP 0.97 #QF 0.84 assign (resid 174 and name HD1* ) (resid 176 and name HD1* ) 3.29 1.49 1.49 !peak 444 #SUP 0.49 #QF 0.49 assign (resid 147 and name HG1* ) (resid 176 and name HD1* ) 2.83 1.03 1.03 !peak 446 #SUP 0.98 #QF 0.84 assign (resid 161 and name HG2* ) (resid 176 and name HD1* ) 2.95 1.15 1.15 !peak 447 #SUP 0.93 #QF 0.93 assign (resid 138 and name HG2* ) (resid 176 and name HD1* ) 3.96 2.16 2.16 !peak 448 #SUP 0.92 #QF 0.92 assign (resid 159 and name HG2* ) (resid 176 and name HD1* ) 3.35 1.55 1.55 !peak 449 #SUP 0.89 #QF 0.89 assign (resid 125 and name HG ) (resid 178 and name HG1* ) 3.88 2.08 2.08 !peak 451 #SUP 0.98 #QF 0.75 assign (resid 178 and name HG1* ) (resid 179 and name HG2 ) 4.27 2.47 2.47 !peak 451 #SUP 0.98 #QF 0.75 assign (resid 178 and name HG1* ) (resid 180 and name HD2* ) 2.83 1.03 1.03 !peak 454 #SUP 0.87 #QF 0.87 assign (resid 153 and name HG2* ) (resid 178 and name HG1* ) 2.22 0.42 0.42 !peak 455 #SUP 0.88 #QF 0.88 assign (resid 180 and name HD2* ) (resid 181 and name HD1* ) 4.16 2.36 2.36 !peak 471 #SUP 0.73 #QF 0.73 assign (resid 153 and name HG1* ) (resid 180 and name HD2* ) 3.11 1.31 1.31 !peak 475 #SUP 0.95 #QF 0.95 assign (resid 98 and name HD1* ) (resid 176 and name HD2* ) 3.03 1.23 1.23 !peak 494 #SUP 0.98 #QF 0.98 assign (resid 149 and name HN ) (resid 149 and name HD1* ) 3.00 1.20 1.20 !peak 1 #SUP 0.88 #QF 0.88 assign (resid 135 and name HN ) (resid 149 and name HD1* ) 3.69 1.89 1.89 !peak 2 #SUP 0.81 #QF 0.81 assign (resid 134 and name HA1 ) (resid 149 and name HD1* ) 3.73 1.93 1.93 !peak 3 #SUP 0.98 #QF 0.69 assign (resid 148 and name HA ) (resid 149 and name HD1* ) 3.97 2.17 2.17 !peak 3 #SUP 0.98 #QF 0.69 assign (resid 149 and name HA ) (resid 149 and name HD1* ) 3.29 1.49 1.49 !peak 4 #SUP 1.00 assign (resid 130 and name HA ) (resid 149 and name HD1* ) 3.31 1.51 1.51 !peak 5 #SUP 0.98 #QF 0.76 assign (resid 133 and name HA2 ) (resid 149 and name HD1* ) 3.58 1.78 1.78 !peak 5 #SUP 0.98 #QF 0.76 assign (resid 133 and name HA1 ) (resid 149 and name HD1* ) 3.58 1.78 1.78 !peak 6 #SUP 0.70 #QF 0.70 assign (resid 149 and name HB ) (resid 149 and name HD1* ) 2.69 0.89 0.89 !peak 8 #SUP 0.97 #QF 0.97 assign (resid 149 and name HA ) (resid 159 and name HD1* ) 2.85 1.05 1.05 !peak 14 #SUP 0.82 #QF 0.82 assign (resid 159 and name HD1* ) (resid 178 and name HA ) 3.06 1.26 1.26 !peak 15 #SUP 0.70 #QF 0.70 assign (resid 157 and name HB1 ) (resid 159 and name HD1* ) 3.42 1.62 1.62 !peak 16 #SUP 0.84 #QF 0.84 assign (resid 159 and name HD1* ) (resid 178 and name HB ) 3.24 1.44 1.44 !peak 18 #SUP 0.97 #QF 0.97 assign (resid 159 and name HD1* ) (resid 176 and name HB2 ) 2.89 1.09 1.09 !peak 19 #SUP 0.97 #QF 0.97 assign (resid 159 and name HB ) (resid 159 and name HD1* ) 2.59 0.79 0.79 !peak 20 #SUP 0.99 #QF 0.99 assign (resid 149 and name HD1* ) (resid 159 and name HD1* ) 3.25 1.45 1.45 !peak 25 #SUP 0.51 #QF 0.51 assign (resid 129 and name HN ) (resid 130 and name HB* ) 3.41 1.61 1.61 !peak 28 #SUP 0.91 #QF 0.91 assign (resid 127 and name HA ) (resid 130 and name HB* ) 2.75 0.95 0.95 !peak 30 #SUP 0.36 #QF 0.36 assign (resid 129 and name HB2 ) (resid 130 and name HB* ) 3.26 1.46 1.46 !peak 32 #SUP 0.53 #QF 0.53 assign (resid 125 and name HG ) (resid 130 and name HB* ) 3.07 1.27 1.27 !peak 33 #SUP 0.65 #QF 0.65 assign (resid 125 and name HB1 ) (resid 130 and name HB* ) 2.83 1.03 1.03 !peak 34 #SUP 0.81 #QF 0.81 assign (resid 130 and name HB* ) (resid 153 and name HG1* ) 2.48 0.68 0.68 !peak 37 #SUP 0.84 #QF 0.84 assign (resid 125 and name HD2* ) (resid 130 and name HB* ) 2.42 0.62 0.62 !peak 38 #SUP 0.49 #QF 0.49 assign (resid 159 and name HN ) (resid 159 and name HG2* ) 3.08 1.28 1.28 !peak 45 #SUP 1.00 assign (resid 159 and name HG2* ) (resid 160 and name HA ) 3.23 1.43 1.43 !peak 47 #SUP 0.95 #QF 0.95 assign (resid 159 and name HA ) (resid 159 and name HG2* ) 2.55 0.75 0.75 !peak 48 #SUP 0.99 #QF 0.99 assign (resid 159 and name HG2* ) (resid 176 and name HB2 ) 3.07 1.27 1.27 !peak 50 #SUP 0.93 #QF 0.93 assign (resid 148 and name HN ) (resid 149 and name HG2* ) 3.39 1.59 1.59 !peak 58 #SUP 0.86 #QF 0.86 assign (resid 149 and name HA ) (resid 149 and name HG2* ) 2.75 0.95 0.95 !peak 60 #SUP 0.95 #QF 0.95 assign (resid 149 and name HG2* ) (resid 153 and name HB ) 3.84 2.04 2.04 !peak 64 #SUP 0.81 #QF 0.81 assign (resid 149 and name HG2* ) (resid 149 and name HG12 ) 2.78 0.98 0.98 !peak 66 #SUP 1.00 assign (resid 125 and name HD2* ) (resid 149 and name HG2* ) 2.69 0.89 0.89 !peak 68 #SUP 0.99 #QF 0.99 assign (resid 130 and name HN ) (resid 153 and name HG1* ) 3.41 1.61 1.61 !peak 69 #SUP 0.73 #QF 0.73 assign (resid 153 and name HA ) (resid 153 and name HG1* ) 2.90 1.10 1.10 !peak 74 #SUP 0.86 #QF 0.86 assign (resid 130 and name HA ) (resid 153 and name HG1* ) 2.64 0.84 0.84 !peak 75 #SUP 0.99 #QF 0.99 assign (resid 125 and name HD2* ) (resid 153 and name HG1* ) 2.71 0.91 0.91 !peak 80 #SUP 1.00 #QF 0.98 assign (resid 138 and name HA ) (resid 138 and name HG2* ) 2.95 1.15 1.15 !peak 83 #SUP 0.91 #QF 0.91 assign (resid 160 and name HA ) (resid 161 and name HG2* ) 3.06 1.26 1.26 !peak 88 #SUP 0.44 #QF 0.44 assign (resid 161 and name HA ) (resid 161 and name HG2* ) 2.70 0.90 0.90 !peak 89 #SUP 0.72 #QF 0.62 assign (resid 177 and name HA ) (resid 177 and name HG2* ) 2.95 1.15 1.15 !peak 89 #SUP 0.72 #QF 0.62 assign (resid 161 and name HG2* ) (resid 162 and name HD1 ) 3.51 1.71 1.71 !peak 90 #SUP 0.96 #QF 0.96 assign (resid 161 and name HG2* ) (resid 162 and name HD2 ) 3.26 1.46 1.46 !peak 91 #SUP 0.95 #QF 0.95 assign (resid 161 and name HG2* ) (resid 174 and name HG ) 3.05 1.25 1.25 !peak 93 #SUP 0.95 #QF 0.95 assign (resid 177 and name HN ) (resid 177 and name HG1* ) 3.08 1.28 1.28 !peak 109 #SUP 0.98 #QF 0.98 assign (resid 177 and name HA ) (resid 177 and name HG1* ) 2.95 1.15 1.15 !peak 111 #SUP 0.99 #QF 0.99 assign (resid 137 and name HN ) (resid 137 and name HG2* ) 3.05 1.25 1.24 !peak 129 #SUP 0.43 #QF 0.43 assign (resid 158 and name HA ) (resid 158 and name HG1* ) 2.65 0.85 0.85 !peak 131 #SUP 0.96 #QF 0.96 assign (resid 158 and name HG1* ) (resid 177 and name HA ) 3.07 1.27 1.27 !peak 133 #SUP 0.83 #QF 0.83 assign (resid 138 and name HA ) (resid 138 and name HG1* ) 2.95 1.15 1.15 !peak 145 #SUP 0.93 #QF 0.93 assign (resid 147 and name HA ) (resid 147 and name HG2* ) 2.67 0.87 0.87 !peak 162 #SUP 1.00 assign (resid 154 and name HA ) (resid 178 and name HG1* ) 3.23 1.43 1.43 !peak 174 #SUP 0.95 #QF 0.95 assign (resid 178 and name HA ) (resid 178 and name HG1* ) 2.70 0.90 0.90 !peak 175 #SUP 0.93 #QF 0.93 assign (resid 155 and name HA ) (resid 178 and name HG1* ) 2.85 1.05 1.05 !peak 176 #SUP 0.95 #QF 0.90 assign (resid 157 and name HB2 ) (resid 178 and name HG1* ) 3.11 1.31 1.31 !peak 176 #SUP 0.95 #QF 0.90 assign (resid 178 and name HG1* ) (resid 180 and name HG ) 2.92 1.12 1.12 !peak 179 #SUP 0.90 #QF 0.90 assign (resid 153 and name HG1* ) (resid 178 and name HG1* ) 2.48 0.68 0.68 !peak 180 #SUP 0.96 #QF 0.60 assign (resid 137 and name HN ) (resid 137 and name HG1* ) 3.05 1.25 1.24 !peak 196 #SUP 0.97 #QF 0.97 assign (resid 153 and name HN ) (resid 153 and name HG2* ) 3.06 1.26 1.26 !peak 204 #SUP 0.98 #QF 0.98 assign (resid 153 and name HG2* ) (resid 157 and name HA ) 3.31 1.51 1.51 !peak 205 #SUP 0.81 #QF 0.81 assign (resid 153 and name HA ) (resid 153 and name HG2* ) 2.62 0.82 0.82 !peak 206 #SUP 0.96 #QF 0.96 assign (resid 153 and name HG2* ) (resid 157 and name HB1 ) 3.01 1.21 1.21 !peak 207 #SUP 0.76 #QF 0.52 assign (resid 153 and name HG2* ) (resid 157 and name HB2 ) 3.07 1.27 1.27 !peak 207 #SUP 0.76 #QF 0.52 assign (resid 153 and name HG2* ) (resid 178 and name HB ) 2.88 1.08 1.08 !peak 209 #SUP 1.00 #QF 0.99 assign (resid 150 and name HG2 ) (resid 153 and name HG2* ) 2.87 1.07 1.07 !peak 210 #SUP 0.34 #QF 0.34 assign (resid 130 and name HB* ) (resid 153 and name HG2* ) 3.25 1.45 1.45 !peak 212 #SUP 0.69 #QF 0.69 assign (resid 158 and name HA ) (resid 158 and name HG2* ) 2.65 0.85 0.85 !peak 217 #SUP 1.00 assign (resid 158 and name HG2* ) (resid 177 and name HA ) 3.07 1.27 1.27 !peak 218 #SUP 0.98 #QF 0.98 assign (resid 100 and name HA ) (resid 100 and name HG2* ) 2.76 0.96 0.96 !peak 222 #SUP 0.98 #QF 0.98 assign (resid 103 and name HA ) (resid 103 and name HG2* ) 2.70 0.90 0.90 !peak 227 #SUP 1.00 assign (resid 126 and name HA ) (resid 126 and name HG2* ) 2.76 0.96 0.96 !peak 235 #SUP 0.57 #QF 0.57 assign (resid 121 and name HB* ) (resid 176 and name HA ) 3.10 1.30 1.30 !peak 239 #SUP 0.59 #QF 0.59 assign (resid 181 and name HA ) (resid 181 and name HD2* ) 2.50 0.70 0.70 !peak 247 #SUP 0.94 #QF 0.94 assign (resid 181 and name HD2* ) (resid 182 and name HD1 ) 2.84 1.04 1.04 !peak 249 #SUP 0.99 #QF 0.99 assign (resid 181 and name HD2* ) (resid 182 and name HD2 ) 2.78 0.98 0.98 !peak 250 #SUP 0.99 #QF 0.99 assign (resid 124 and name HB1 ) (resid 181 and name HD2* ) 2.82 1.02 1.02 !peak 251 #SUP 0.96 #QF 0.96 assign (resid 124 and name HB2 ) (resid 181 and name HD2* ) 2.82 1.02 1.02 !peak 252 #SUP 0.97 #QF 0.95 assign (resid 97 and name HB2 ) (resid 97 and name HD2* ) 2.37 0.57 0.57 !peak 253 #SUP 0.70 #QF 0.70 assign (resid 119 and name HN ) (resid 119 and name HD2* ) 3.11 1.31 1.31 !peak 256 #SUP 0.77 #QF 0.77 assign (resid 99 and name HE1 ) (resid 119 and name HD2* ) 3.09 1.29 1.29 !peak 257 #SUP 0.95 #QF 0.95 assign (resid 99 and name HD1 ) (resid 119 and name HD2* ) 3.06 1.26 1.26 !peak 258 #SUP 0.95 #QF 0.95 assign (resid 119 and name HA ) (resid 119 and name HD2* ) 2.61 0.81 0.81 !peak 259 #SUP 0.90 #QF 0.90 assign (resid 101 and name HA ) (resid 119 and name HD2* ) 2.99 1.19 1.19 !peak 260 #SUP 0.89 #QF 0.89 assign (resid 100 and name HB ) (resid 119 and name HD2* ) 3.25 1.45 1.45 !peak 261 #SUP 0.76 #QF 0.66 assign (resid 119 and name HD2* ) (resid 166 and name HA2 ) 3.07 1.27 1.27 !peak 262 #SUP 0.85 #QF 0.85 assign (resid 119 and name HB2 ) (resid 119 and name HD2* ) 2.75 0.95 0.95 !peak 268 #SUP 1.00 assign (resid 161 and name HN ) (resid 161 and name HG1* ) 3.27 1.47 1.47 !peak 270 #SUP 0.97 #QF 0.97 assign (resid 125 and name HN ) (resid 178 and name HG2* ) 4.00 2.20 2.20 !peak 272 #SUP 0.86 #QF 0.71 assign (resid 177 and name HN ) (resid 178 and name HG2* ) 4.28 2.48 2.48 !peak 272 #SUP 0.86 #QF 0.71 assign (resid 178 and name HG2* ) (resid 179 and name HN ) 3.07 1.27 1.27 !peak 273 #SUP 0.99 #QF 0.99 assign (resid 158 and name HA ) (resid 178 and name HG2* ) 3.57 1.77 1.77 !peak 275 #SUP 0.95 #QF 0.88 assign (resid 161 and name HG1* ) (resid 164 and name HA ) 3.89 2.09 2.09 !peak 275 #SUP 0.95 #QF 0.88 assign (resid 161 and name HA ) (resid 161 and name HG1* ) 2.58 0.78 0.78 !peak 276 #SUP 0.97 #QF 0.97 assign (resid 178 and name HA ) (resid 178 and name HG2* ) 2.61 0.81 0.80 !peak 277 #SUP 0.99 #QF 0.99 assign (resid 157 and name HB2 ) (resid 178 and name HG2* ) 2.78 0.98 0.98 !peak 278 #SUP 0.84 #QF 0.62 assign (resid 125 and name HA ) (resid 125 and name HD1* ) 2.52 0.72 0.72 !peak 286 #SUP 0.89 #QF 0.80 assign (resid 125 and name HD1* ) (resid 129 and name HB1 ) 2.84 1.04 1.04 !peak 292 #SUP 0.96 #QF 0.96 assign (resid 125 and name HB2 ) (resid 125 and name HD1* ) 2.68 0.88 0.88 !peak 294 #SUP 0.74 #QF 0.25 assign (resid 180 and name HN ) (resid 180 and name HD2* ) 3.19 1.39 1.39 !peak 298 #SUP 0.95 #QF 0.95 assign (resid 125 and name HN ) (resid 180 and name HD2* ) 3.48 1.68 1.68 !peak 299 #SUP 0.72 #QF 0.65 assign (resid 127 and name HN ) (resid 180 and name HD2* ) 3.72 1.92 1.92 !peak 299 #SUP 0.72 #QF 0.65 assign (resid 155 and name HN ) (resid 180 and name HD2* ) 3.08 1.28 1.28 !peak 301 #SUP 0.88 #QF 0.88 assign (resid 180 and name HA ) (resid 180 and name HD2* ) 2.54 0.74 0.74 !peak 302 #SUP 0.97 #QF 0.97 assign (resid 154 and name HA ) (resid 180 and name HD2* ) 2.99 1.19 1.19 !peak 303 #SUP 0.96 #QF 0.96 assign (resid 155 and name HB2 ) (resid 180 and name HD2* ) 3.05 1.25 1.25 !peak 305 #SUP 0.86 #QF 0.86 assign (resid 180 and name HB2 ) (resid 180 and name HD2* ) 2.75 0.95 0.95 !peak 306 #SUP 0.97 #QF 0.97 assign (resid 180 and name HB1 ) (resid 180 and name HD2* ) 2.37 0.57 0.57 !peak 308 #SUP 0.80 #QF 0.80 assign (resid 175 and name HD2* ) (resid 176 and name HN ) 3.02 1.22 1.22 !peak 312 #SUP 0.94 #QF 0.94 assign (resid 158 and name HG2* ) (resid 175 and name HD2* ) 3.10 1.30 1.30 !peak 318 #SUP 0.79 #QF 0.79 assign (resid 127 and name HA ) (resid 127 and name HD2* ) 2.79 0.99 0.99 !peak 320 #SUP 0.95 #QF 0.95 assign (resid 98 and name HN ) (resid 98 and name HD2* ) 3.34 1.54 1.54 !peak 323 #SUP 0.99 #QF 0.99 assign (resid 98 and name HA ) (resid 98 and name HD2* ) 3.00 1.20 1.20 !peak 324 #SUP 0.94 #QF 0.94 assign (resid 95 and name HA ) (resid 95 and name HD2* ) 3.25 1.45 1.45 !peak 334 #SUP 1.00 assign (resid 95 and name HD2* ) (resid 100 and name HA ) 3.51 1.71 1.71 !peak 334 #SUP 1.00 assign (resid 97 and name HD2* ) (resid 124 and name HD2 ) 3.00 1.20 1.20 !peak 336 #SUP 0.69 #QF 0.69 assign (resid 95 and name HA ) (resid 95 and name HD1* ) 3.25 1.45 1.45 !peak 347 #SUP 1.00 assign (resid 95 and name HD1* ) (resid 100 and name HA ) 3.51 1.71 1.71 !peak 347 #SUP 1.00 assign (resid 175 and name HN ) (resid 175 and name HD1* ) 3.18 1.38 1.38 !peak 354 #SUP 0.99 #QF 0.99 assign (resid 119 and name HN ) (resid 175 and name HD1* ) 3.79 1.99 1.99 !peak 355 #SUP 0.68 #QF 0.68 assign (resid 120 and name HA ) (resid 175 and name HD1* ) 3.25 1.45 1.45 !peak 356 #SUP 0.94 #QF 0.94 assign (resid 127 and name HA ) (resid 127 and name HD1* ) 3.20 1.40 1.40 !peak 358 #SUP 1.00 assign (resid 120 and name HB2 ) (resid 175 and name HD1* ) 2.73 0.93 0.93 !peak 362 #SUP 1.00 #QF 0.83 assign (resid 175 and name HB1 ) (resid 175 and name HD1* ) 2.61 0.81 0.81 !peak 365 #SUP 0.76 #QF 0.76 assign (resid 176 and name HA ) (resid 176 and name HD2* ) 2.63 0.83 0.83 !peak 369 #SUP 0.97 #QF 0.97 assign (resid 121 and name HA ) (resid 176 and name HD2* ) 3.62 1.82 1.82 !peak 370 #SUP 0.78 #QF 0.78 assign (resid 176 and name HB2 ) (resid 176 and name HD2* ) 2.82 1.02 1.02 !peak 371 #SUP 0.98 #QF 0.98 assign (resid 123 and name HB1 ) (resid 176 and name HD2* ) 3.18 1.38 1.38 !peak 372 #SUP 0.98 #QF 0.98 assign (resid 121 and name HB* ) (resid 176 and name HD2* ) 2.45 0.65 0.65 !peak 374 #SUP 0.98 #QF 0.98 assign (resid 119 and name HA ) (resid 119 and name HD1* ) 3.44 1.64 1.64 !peak 377 #SUP 1.00 #QF 0.97 assign (resid 119 and name HD1* ) (resid 174 and name HA ) 3.56 1.76 1.76 !peak 377 #SUP 1.00 #QF 0.97 assign (resid 119 and name HB1 ) (resid 119 and name HD1* ) 2.87 1.07 1.07 !peak 381 #SUP 0.96 #QF 0.87 assign (resid 119 and name HB2 ) (resid 119 and name HD1* ) 2.87 1.07 1.07 !peak 382 #SUP 1.00 assign (resid 119 and name HD1* ) (resid 141 and name HB* ) 3.35 1.55 1.55 !peak 383 #SUP 0.81 #QF 0.38 assign (resid 119 and name HD1* ) (resid 174 and name HB2 ) 3.48 1.68 1.68 !peak 383 #SUP 0.81 #QF 0.38 assign (resid 97 and name HD1* ) (resid 98 and name HN ) 3.29 1.49 1.49 !peak 385 #SUP 0.98 #QF 0.81 assign (resid 125 and name HA ) (resid 181 and name HD1* ) 3.40 1.60 1.60 !peak 387 #SUP 0.69 #QF 0.69 assign (resid 97 and name HA ) (resid 97 and name HD1* ) 3.38 1.58 1.58 !peak 388 #SUP 0.95 #QF 0.67 assign (resid 97 and name HD1* ) (resid 98 and name HA ) 3.58 1.78 1.78 !peak 388 #SUP 0.95 #QF 0.67 assign (resid 181 and name HD1* ) (resid 182 and name HD2 ) 3.26 1.46 1.46 !peak 389 #SUP 1.00 assign (resid 97 and name HD1* ) (resid 121 and name HB* ) 3.01 1.21 1.21 !peak 391 #SUP 0.84 #QF 0.84 assign (resid 181 and name HN ) (resid 181 and name HD1* ) 3.12 1.32 1.32 !peak 393 #SUP 0.98 #QF 0.98 assign (resid 126 and name HA ) (resid 181 and name HD1* ) 3.07 1.27 1.27 !peak 394 #SUP 0.95 #QF 0.95 assign (resid 181 and name HA ) (resid 181 and name HD1* ) 3.14 1.34 1.34 !peak 395 #SUP 0.53 #QF 0.53 assign (resid 124 and name HB1 ) (resid 181 and name HD1* ) 3.13 1.33 1.33 !peak 396 #SUP 0.59 #QF 0.59 assign (resid 124 and name HB2 ) (resid 181 and name HD1* ) 3.13 1.33 1.33 !peak 397 #SUP 0.91 #QF 0.91 assign (resid 181 and name HB2 ) (resid 181 and name HD1* ) 2.33 0.53 0.53 !peak 398 #SUP 0.81 #QF 0.81 assign (resid 126 and name HG2* ) (resid 181 and name HD1* ) 2.63 0.83 0.83 !peak 399 #SUP 0.84 #QF 0.84 assign (resid 180 and name HA ) (resid 180 and name HD1* ) 3.15 1.35 1.36 !peak 403 #SUP 0.98 #QF 0.98 assign (resid 154 and name HA ) (resid 180 and name HD1* ) 2.88 1.08 1.08 !peak 404 #SUP 0.97 #QF 0.97 assign (resid 155 and name HA ) (resid 180 and name HD1* ) 3.07 1.27 1.27 !peak 405 #SUP 0.60 #QF 0.60 assign (resid 155 and name HG2 ) (resid 180 and name HD1* ) 3.46 1.66 1.66 !peak 406 #SUP 0.94 #QF 0.94 assign (resid 155 and name HB2 ) (resid 180 and name HD1* ) 2.86 1.06 1.06 !peak 407 #SUP 0.98 #QF 0.98 assign (resid 180 and name HB2 ) (resid 180 and name HD1* ) 2.67 0.87 0.87 !peak 408 #SUP 0.98 #QF 0.98 assign (resid 180 and name HB1 ) (resid 180 and name HD1* ) 2.63 0.83 0.83 !peak 410 #SUP 0.96 #QF 0.96 assign (resid 125 and name HA ) (resid 125 and name HD2* ) 3.17 1.37 1.37 !peak 415 #SUP 0.98 #QF 0.98 assign (resid 125 and name HD2* ) (resid 178 and name HA ) 3.69 1.89 1.89 !peak 416 #SUP 0.73 #QF 0.73 assign (resid 125 and name HD2* ) (resid 130 and name HA ) 2.71 0.91 0.91 !peak 417 #SUP 0.99 #QF 0.99 assign (resid 125 and name HD2* ) (resid 129 and name HB1 ) 3.19 1.39 1.39 !peak 418 #SUP 0.95 #QF 0.95 assign (resid 125 and name HD2* ) (resid 153 and name HB ) 3.14 1.34 1.34 !peak 419 #SUP 0.99 #QF 0.99 assign (resid 176 and name HN ) (resid 176 and name HD1* ) 3.26 1.46 1.46 !peak 424 #SUP 0.98 #QF 0.98 assign (resid 176 and name HA ) (resid 176 and name HD1* ) 3.21 1.41 1.41 !peak 425 #SUP 0.98 #QF 0.98 assign (resid 176 and name HB2 ) (resid 176 and name HD1* ) 2.76 0.96 0.96 !peak 426 #SUP 0.97 #QF 0.97 assign (resid 159 and name HB ) (resid 176 and name HD1* ) 2.91 1.11 1.11 !peak 427 #SUP 0.96 #QF 0.96 assign (resid 176 and name HB1 ) (resid 176 and name HD1* ) 2.75 0.95 0.95 !peak 429 #SUP 0.56 #QF 0.56 assign (resid 123 and name HB2 ) (resid 176 and name HD1* ) 3.19 1.39 1.39 !peak 430 #SUP 0.89 #QF 0.89 assign (resid 123 and name HN ) (resid 123 and name HD1* ) 3.47 1.67 1.67 !peak 432 #SUP 0.99 #QF 0.99 assign (resid 174 and name HA ) (resid 174 and name HD2* ) 3.19 1.39 1.39 !peak 433 #SUP 0.30 #QF 0.30 assign (resid 123 and name HB1 ) (resid 123 and name HD1* ) 2.73 0.93 0.93 !peak 436 #SUP 0.95 #QF 0.93 assign (resid 174 and name HB1 ) (resid 174 and name HD2* ) 2.83 1.03 1.03 !peak 436 #SUP 0.95 #QF 0.93 assign (resid 123 and name HD1* ) (resid 136 and name HG2 ) 2.85 1.05 1.05 !peak 438 #SUP 0.70 #QF 0.70 assign (resid 174 and name HB2 ) (resid 174 and name HD2* ) 2.70 0.90 0.90 !peak 442 #SUP 0.95 #QF 0.95 assign (resid 123 and name HN ) (resid 123 and name HD2* ) 3.47 1.67 1.67 !peak 443 #SUP 0.99 #QF 0.99 assign (resid 123 and name HB1 ) (resid 123 and name HD2* ) 2.73 0.93 0.93 !peak 449 #SUP 0.97 #QF 0.97 assign (resid 123 and name HD2* ) (resid 136 and name HG2 ) 2.85 1.05 1.05 !peak 450 #SUP 0.71 #QF 0.71 assign (resid 97 and name HN ) (resid 97 and name HG ) 3.91 2.11 2.11 !peak 487 #SUP 0.72 #QF 0.44 assign (resid 97 and name HG ) (resid 98 and name HN ) 4.09 2.29 2.29 !peak 487 #SUP 0.72 #QF 0.44 assign (resid 154 and name HA ) (resid 180 and name HG ) 3.03 1.23 1.23 !peak 500 #SUP 0.32 #QF 0.32 assign (resid 155 and name HB2 ) (resid 180 and name HG ) 3.25 1.45 1.45 !peak 502 #SUP 0.91 #QF 0.91 assign (resid 148 and name HG2 ) (resid 149 and name HN ) 3.23 1.43 1.43 !peak 528 #SUP 0.98 #QF 0.98 assign (resid 148 and name HA ) (resid 148 and name HG2 ) 3.03 1.23 1.23 !peak 529 #SUP 1.00 assign (resid 148 and name HA ) (resid 148 and name HG1 ) 3.14 1.34 1.34 !peak 534 #SUP 1.00 assign (resid 97 and name HD2* ) (resid 124 and name HG2 ) 3.33 1.53 1.53 !peak 591 #SUP 0.94 #QF 0.85 assign (resid 154 and name HG2 ) (resid 155 and name HB1 ) 3.40 1.60 1.60 !peak 622 #SUP 0.33 #QF 0.33 assign (resid 167 and name HN ) (resid 167 and name HB1 ) 2.92 1.12 1.12 !peak 628 #SUP 0.75 #QF 0.75 assign (resid 167 and name HB2 ) (resid 168 and name HN ) 3.23 1.43 1.43 !peak 634 #SUP 0.98 #QF 0.98 assign (resid 129 and name HN ) (resid 129 and name HB2 ) 3.18 1.38 1.38 !peak 651 #SUP 0.92 #QF 0.92 assign (resid 125 and name HD1* ) (resid 129 and name HB2 ) 3.01 1.21 1.21 !peak 653 #SUP 0.94 #QF 0.94 assign (resid 126 and name HA ) (resid 129 and name HB2 ) 3.46 1.66 1.66 !peak 654 #SUP 0.65 #QF 0.65 assign (resid 144 and name HN ) (resid 144 and name HB2 ) 3.00 1.20 1.20 !peak 661 #SUP 0.98 #QF 0.98 assign (resid 117 and name HN ) (resid 117 and name HB1 ) 3.06 1.26 1.26 !peak 662 #SUP 0.99 #QF 0.99 assign (resid 144 and name HN ) (resid 144 and name HB1 ) 3.00 1.20 1.20 !peak 668 #SUP 0.99 #QF 0.99 assign (resid 129 and name HN ) (resid 129 and name HB1 ) 3.07 1.27 1.27 !peak 677 #SUP 0.97 #QF 0.97 assign (resid 161 and name HB ) (resid 162 and name HD2 ) 3.48 1.68 1.68 !peak 697 #SUP 0.50 #QF 0.50 assign (resid 153 and name HB ) (resid 154 and name HN ) 3.23 1.43 1.43 !peak 722 #SUP 0.94 #QF 0.94 assign (resid 130 and name HA ) (resid 153 and name HB ) 3.31 1.51 1.51 !peak 725 #SUP 0.67 #QF 0.67 assign (resid 135 and name HN ) (resid 135 and name HB1 ) 3.03 1.23 1.23 !peak 780 #SUP 0.59 #QF 0.59 assign (resid 98 and name HG ) (resid 140 and name HB ) 3.18 1.38 1.38 !peak 869 #SUP 0.36 #QF 0.36 assign (resid 155 and name HA ) (resid 155 and name HG1 ) 3.23 1.43 1.43 !peak 871 #SUP 1.00 assign (resid 145 and name HN ) (resid 145 and name HB ) 3.20 1.40 1.40 !peak 875 #SUP 0.97 #QF 0.85 assign (resid 145 and name HB ) (resid 146 and name HN ) 3.25 1.45 1.45 !peak 877 #SUP 0.89 #QF 0.82 assign (resid 147 and name HB ) (resid 148 and name HN ) 3.43 1.63 1.63 !peak 877 #SUP 0.89 #QF 0.82 assign (resid 135 and name HA ) (resid 135 and name HG2 ) 3.13 1.33 1.33 !peak 887 #SUP 0.99 #QF 0.99 assign (resid 135 and name HG1 ) (resid 136 and name HN ) 3.23 1.43 1.43 !peak 889 #SUP 0.86 #QF 0.86 assign (resid 139 and name HG2 ) (resid 140 and name HN ) 3.72 1.92 1.92 !peak 894 #SUP 0.99 #QF 0.79 assign (resid 159 and name HB ) (resid 176 and name HB2 ) 3.00 1.20 1.20 !peak 914 #SUP 0.99 #QF 0.99 assign (resid 118 and name HN ) (resid 118 and name HB2 ) 3.09 1.29 1.29 !peak 939 #SUP 0.72 #QF 0.60 assign (resid 97 and name HN ) (resid 97 and name HB1 ) 3.09 1.29 1.29 !peak 943 #SUP 0.91 #QF 0.76 assign (resid 97 and name HN ) (resid 97 and name HB2 ) 3.08 1.28 1.28 !peak 947 #SUP 0.96 #QF 0.91 assign (resid 175 and name HB2 ) (resid 175 and name HD1* ) 2.82 1.02 1.02 !peak 955 #SUP 0.97 #QF 0.97 assign (resid 126 and name HA ) (resid 181 and name HB2 ) 3.15 1.35 1.35 !peak 957 #SUP 0.92 #QF 0.92 assign (resid 127 and name HN ) (resid 127 and name HB1 ) 3.15 1.35 1.35 !peak 988 #SUP 1.00 assign (resid 123 and name HN ) (resid 176 and name HB1 ) 3.50 1.70 1.70 !peak 1001 #SUP 0.90 #QF 0.41 assign (resid 123 and name HB1 ) (resid 176 and name HB1 ) 3.25 1.45 1.45 !peak 1004 #SUP 1.00 #QF 0.85 assign (resid 159 and name HB ) (resid 176 and name HB1 ) 3.41 1.61 1.61 !peak 1004 #SUP 1.00 #QF 0.85 assign (resid 123 and name HB2 ) (resid 176 and name HB1 ) 3.24 1.44 1.44 !peak 1007 #SUP 0.97 #QF 0.97 assign (resid 176 and name HB1 ) (resid 176 and name HD2* ) 2.83 1.03 1.03 !peak 1008 #SUP 1.00 #QF 0.95 assign (resid 119 and name HB1 ) (resid 119 and name HD2* ) 2.75 0.95 0.95 !peak 1014 #SUP 0.86 #QF 0.86 assign (resid 174 and name HN ) (resid 174 and name HB1 ) 3.18 1.38 1.38 !peak 1031 #SUP 0.99 #QF 0.99 assign (resid 161 and name HB ) (resid 174 and name HB1 ) 2.92 1.12 1.12 !peak 1032 #SUP 0.74 #QF 0.74 assign (resid 161 and name HB ) (resid 174 and name HB2 ) 3.03 1.23 1.23 !peak 1037 #SUP 0.60 #QF 0.60 assign (resid 125 and name HB1 ) (resid 125 and name HD2* ) 2.81 1.01 1.01 !peak 1044 #SUP 0.58 #QF 0.58 assign (resid 125 and name HB2 ) (resid 125 and name HD2* ) 2.81 1.01 1.01 !peak 1046 #SUP 1.00 #QF 0.99 assign (resid 118 and name HA ) (resid 172 and name HA2 ) 3.44 1.64 1.64 !peak 1057 #SUP 0.93 #QF 0.93 assign (resid 162 and name HB2 ) (resid 163 and name HA2 ) 3.47 1.67 1.67 !peak 1107 #SUP 0.76 #QF 0.76 assign (resid 136 and name HD2 ) (resid 138 and name HA ) 3.56 1.76 1.76 !peak 1158 #SUP 0.48 #QF 0.48 assign (resid 173 and name HB1 ) (resid 174 and name HN ) 3.29 1.49 1.49 !peak 1177 #SUP 0.92 #QF 0.92 assign (resid 161 and name HA ) (resid 162 and name HD1 ) 2.58 0.78 0.78 !peak 1184 #SUP 0.99 #QF 0.99 assign (resid 161 and name HG1* ) (resid 162 and name HD1 ) 3.18 1.38 1.38 !peak 1189 #SUP 0.98 #QF 0.98 assign (resid 161 and name HA ) (resid 162 and name HD2 ) 2.59 0.79 0.79 !peak 1190 #SUP 0.97 #QF 0.97 assign (resid 161 and name HG1* ) (resid 162 and name HD2 ) 2.89 1.09 1.09 !peak 1195 #SUP 0.96 #QF 0.96 assign (resid 97 and name HD2* ) (resid 124 and name HD1 ) 3.00 1.20 1.20 !peak 1226 #SUP 0.64 #QF 0.64 assign (resid 100 and name HA ) (resid 101 and name HD2 ) 2.69 0.89 0.89 !peak 1228 #SUP 0.80 #QF 0.25 assign (resid 100 and name HA ) (resid 101 and name HD1 ) 2.69 0.89 0.89 !peak 1235 #SUP 0.92 #QF 0.54 assign (resid 181 and name HA ) (resid 182 and name HD1 ) 2.63 0.83 0.83 !peak 1243 #SUP 0.99 #QF 0.99 assign (resid 181 and name HB2 ) (resid 182 and name HD1 ) 3.47 1.67 1.67 !peak 1248 #SUP 1.00 assign (resid 181 and name HA ) (resid 182 and name HD2 ) 2.67 0.87 0.87 !peak 1250 #SUP 0.98 #QF 0.98 assign (resid 181 and name HB2 ) (resid 182 and name HD2 ) 2.88 1.08 1.08 !peak 1254 #SUP 1.00 assign (resid 119 and name HN ) (resid 174 and name HA ) 3.40 1.60 1.60 !peak 1303 #SUP 0.98 #QF 0.93 assign (resid 174 and name HA ) (resid 174 and name HD1* ) 2.63 0.83 0.83 !peak 1308 #SUP 0.58 #QF 0.58 assign (resid 180 and name HA ) (resid 180 and name HG ) 2.90 1.10 1.10 !peak 1337 #SUP 0.95 #QF 0.95 assign (resid 180 and name HA ) (resid 181 and name HD2* ) 3.47 1.67 1.67 !peak 1339 #SUP 0.95 #QF 0.87 assign (resid 165 and name HN ) (resid 173 and name HA ) 3.10 1.30 1.30 !peak 1348 #SUP 0.87 #QF 0.87 assign (resid 164 and name HN ) (resid 173 and name HA ) 3.24 1.44 1.44 !peak 1350 #SUP 0.95 #QF 0.95 assign (resid 135 and name HA ) (resid 148 and name HA ) 2.80 1.00 1.00 !peak 1357 #SUP 0.99 #QF 0.99 assign (resid 135 and name HA ) (resid 135 and name HG1 ) 3.02 1.22 1.22 !peak 1358 #SUP 0.83 #QF 0.83 assign (resid 120 and name HA ) (resid 175 and name HB2 ) 3.17 1.37 1.37 !peak 1364 #SUP 1.00 #QF 0.99 assign (resid 120 and name HA ) (resid 175 and name HB1 ) 3.20 1.40 1.40 !peak 1366 #SUP 0.95 #QF 0.29 assign (resid 120 and name HA ) (resid 175 and name HD2* ) 3.90 2.10 2.10 !peak 1367 #SUP 0.94 #QF 0.37 assign (resid 144 and name HA ) (resid 145 and name HN ) 2.78 0.98 0.98 !peak 1368 #SUP 0.97 #QF 0.97 assign (resid 139 and name HA ) (resid 144 and name HA ) 3.01 1.21 1.21 !peak 1369 #SUP 0.99 #QF 0.99 assign (resid 144 and name HA ) (resid 145 and name HB ) 4.04 2.24 2.24 !peak 1371 #SUP 0.62 #QF 0.35 assign (resid 160 and name HA ) (resid 175 and name HD2* ) 2.90 1.10 1.10 !peak 1383 #SUP 0.77 #QF 0.77 assign (resid 147 and name HA ) (resid 148 and name HA ) 3.56 1.76 1.76 !peak 1389 #SUP 0.87 #QF 0.62 assign (resid 148 and name HA ) (resid 149 and name HA ) 3.76 1.96 1.96 !peak 1389 #SUP 0.87 #QF 0.62 assign (resid 143 and name HA ) (resid 144 and name HN ) 2.57 0.77 0.77 !peak 1395 #SUP 0.71 #QF 0.71 assign (resid 98 and name HA ) (resid 98 and name HD1* ) 3.00 1.20 1.20 !peak 1403 #SUP 0.96 #QF 0.61 assign (resid 97 and name HA ) (resid 97 and name HD2* ) 2.81 1.01 1.01 !peak 1405 #SUP 0.84 #QF 0.84 assign (resid 166 and name HA2 ) (resid 167 and name HA ) 3.46 1.66 1.66 !peak 1420 #SUP 0.77 #QF 0.77 assign (resid 148 and name HG1 ) (resid 149 and name HA ) 3.58 1.78 1.78 !peak 1432 #SUP 0.92 #QF 0.51 assign (resid 131 and name HB1 ) (resid 132 and name HA ) 3.24 1.44 1.44 !peak 1446 #SUP 0.56 #QF 0.56 assign (resid 129 and name HA ) (resid 129 and name HG1 ) 3.15 1.35 1.36 !peak 1450 #SUP 0.93 #QF 0.93 assign (resid 127 and name HA ) (resid 180 and name HD2* ) 3.28 1.48 1.48 !peak 1458 #SUP 0.48 #QF 0.48 assign (resid 155 and name HA ) (resid 156 and name HA1 ) 3.35 1.55 1.55 !peak 1463 #SUP 0.87 #QF 0.87 assign (resid 155 and name HA ) (resid 155 and name HG2 ) 3.23 1.43 1.43 !peak 1464 #SUP 1.00 assign (resid 155 and name HA ) (resid 180 and name HG ) 3.08 1.28 1.28 !peak 1467 #SUP 0.97 #QF 0.97 assign (resid 146 and name HA ) (resid 147 and name HN ) 2.65 0.85 0.85 !peak 1470 #SUP 0.83 #QF 0.83 assign (resid 135 and name HB1 ) (resid 146 and name HA ) 3.73 1.93 1.93 !peak 1474 #SUP 0.76 #QF 0.46 assign (resid 146 and name HA ) (resid 147 and name HB ) 4.12 2.32 2.32 !peak 1474 #SUP 0.76 #QF 0.46 assign (resid 161 and name HA ) (resid 162 and name HG2 ) 3.28 1.48 1.48 !peak 1488 #SUP 0.99 #QF 0.99 assign (resid 124 and name HA ) (resid 179 and name HB2 ) 2.95 1.15 1.15 !peak 1495 #SUP 0.99 #QF 0.88 assign (resid 158 and name HA ) (resid 177 and name HA ) 2.91 1.11 1.11 !peak 1520 #SUP 1.00 assign (resid 177 and name HA ) (resid 178 and name HB ) 3.48 1.68 1.68 !peak 1522 #SUP 0.98 #QF 0.98 assign (resid 158 and name HB ) (resid 177 and name HA ) 3.44 1.64 1.64 !peak 1523 #SUP 0.93 #QF 0.25 assign (resid 131 and name HA ) (resid 152 and name HN ) 3.18 1.38 1.38 !peak 1526 #SUP 0.44 #QF 0.44 assign (resid 131 and name HA ) (resid 131 and name HD1 ) 3.27 1.47 1.47 !peak 1528 #SUP 0.93 #QF 0.93 assign (resid 144 and name HA ) (resid 145 and name HA ) 3.60 1.80 1.80 !peak 1533 #SUP 0.89 #QF 0.67 assign (resid 147 and name HA ) (resid 147 and name HG1* ) 2.67 0.87 0.87 !peak 1536 #SUP 0.32 #QF 0.32 assign (resid 128 and name HA ) (resid 131 and name HB2 ) 3.26 1.46 1.46 !peak 1548 #SUP 0.95 #QF 0.95 assign (resid 162 and name HA ) (resid 173 and name HA ) 3.11 1.31 1.31 !peak 1552 #SUP 0.97 #QF 0.97 assign (resid 153 and name HA ) (resid 157 and name HB1 ) 3.59 1.79 1.79 !peak 1585 #SUP 0.71 #QF 0.71 assign (resid 146 and name HN ) (resid 146 and name HB2 ) 2.73 0.93 0.93 !peak 1608 #SUP 0.98 #QF 0.98 assign (resid 157 and name HB2 ) (resid 158 and name HN ) 3.35 1.55 1.55 !peak 1619 #SUP 0.95 #QF 0.95 assign (resid 157 and name HN ) (resid 157 and name HB2 ) 3.02 1.22 1.22 !peak 1620 #SUP 0.90 #QF 0.90 assign (resid 157 and name HB2 ) (resid 178 and name HB ) 2.91 1.11 1.11 !peak 1622 #SUP 0.96 #QF 0.96 assign (resid 123 and name HB1 ) (resid 178 and name HA ) 3.06 1.26 1.26 !peak 1635 #SUP 0.92 #QF 0.92 assign (resid 157 and name HN ) (resid 157 and name HB1 ) 3.00 1.20 1.20 !peak 1645 #SUP 0.81 #QF 0.81 assign (resid 157 and name HB1 ) (resid 178 and name HB ) 3.02 1.22 1.22 !peak 1647 #SUP 1.00 assign (resid 157 and name HB1 ) (resid 178 and name HG2* ) 2.90 1.10 1.10 !peak 1648 #SUP 0.62 #QF 0.62 assign (resid 136 and name HB1 ) (resid 137 and name HN ) 3.36 1.56 1.56 !peak 1650 #SUP 1.00 assign (resid 136 and name HB2 ) (resid 137 and name HN ) 3.36 1.56 1.56 !peak 1657 #SUP 0.94 #QF 0.94 assign (resid 135 and name HA ) (resid 149 and name HD1* ) 3.33 1.53 1.53 !peak 1681 #SUP 0.98 #QF 0.98 assign (resid 125 and name HA ) (resid 149 and name HD1* ) 3.68 1.88 1.88 !peak 1682 #SUP 0.85 #QF 0.85 assign (resid 129 and name HB1 ) (resid 149 and name HD1* ) 3.52 1.72 1.72 !peak 1685 #SUP 0.55 #QF 0.55 assign (resid 149 and name HD1* ) (resid 153 and name HB ) 3.69 1.89 1.89 !peak 1686 #SUP 0.73 #QF 0.73 assign (resid 123 and name HN ) (resid 159 and name HD1* ) 3.94 2.14 2.14 !peak 1688 #SUP 0.95 #QF 0.89 assign (resid 149 and name HN ) (resid 159 and name HD1* ) 4.23 2.43 2.43 !peak 1688 #SUP 0.95 #QF 0.89 assign (resid 158 and name HA ) (resid 159 and name HD1* ) 3.40 1.60 1.60 !peak 1689 #SUP 0.63 #QF 0.63 assign (resid 159 and name HD1* ) (resid 177 and name HA ) 3.51 1.71 1.71 !peak 1690 #SUP 0.62 #QF 0.62 assign (resid 127 and name HN ) (resid 130 and name HB* ) 3.55 1.75 1.75 !peak 1691 #SUP 0.57 #QF 0.57 assign (resid 130 and name HB* ) (resid 133 and name HN ) 3.46 1.66 1.66 !peak 1692 #SUP 0.51 #QF 0.51 assign (resid 129 and name HB1 ) (resid 130 and name HB* ) 3.57 1.77 1.77 !peak 1694 #SUP 0.70 #QF 0.70 assign (resid 130 and name HB* ) (resid 153 and name HB ) 3.41 1.61 1.61 !peak 1695 #SUP 0.92 #QF 0.92 assign (resid 99 and name HE1 ) (resid 141 and name HB* ) 3.33 1.53 1.53 !peak 1697 #SUP 0.74 #QF 0.74 assign (resid 159 and name HG2* ) (resid 161 and name HN ) 3.42 1.62 1.62 !peak 1702 #SUP 0.93 #QF 0.93 assign (resid 148 and name HN ) (resid 159 and name HG2* ) 3.58 1.78 1.78 !peak 1703 #SUP 0.81 #QF 0.81 assign (resid 159 and name HG2* ) (resid 161 and name HA ) 3.45 1.65 1.65 !peak 1704 #SUP 0.99 #QF 0.99 assign (resid 159 and name HG2* ) (resid 161 and name HB ) 3.46 1.66 1.66 !peak 1706 #SUP 0.98 #QF 0.98 assign (resid 148 and name HA ) (resid 149 and name HG2* ) 3.42 1.62 1.62 !peak 1708 #SUP 0.73 #QF 0.73 assign (resid 153 and name HG1* ) (resid 154 and name HA ) 3.51 1.71 1.71 !peak 1714 #SUP 0.56 #QF 0.56 assign (resid 150 and name HG2 ) (resid 153 and name HG1* ) 3.42 1.62 1.62 !peak 1718 #SUP 0.27 #QF 0.27 assign (resid 129 and name HB2 ) (resid 153 and name HG1* ) 3.99 2.19 2.19 !peak 1720 #SUP 0.44 #QF 0.44 assign (resid 125 and name HB1 ) (resid 153 and name HG1* ) 3.38 1.58 1.58 !peak 1722 #SUP 0.49 #QF 0.49 assign (resid 148 and name HN ) (resid 161 and name HG2* ) 3.49 1.69 1.69 !peak 1724 #SUP 0.29 #QF 0.29 assign (resid 161 and name HG2* ) (resid 174 and name HN ) 3.48 1.68 1.68 !peak 1726 #SUP 0.93 #QF 0.93 assign (resid 178 and name HG1* ) (resid 180 and name HA ) 3.38 1.58 1.57 !peak 1746 #SUP 0.79 #QF 0.79 assign (resid 156 and name HA2 ) (resid 178 and name HG1* ) 4.27 2.47 2.47 !peak 1747 #SUP 0.96 #QF 0.89 assign (resid 157 and name HA ) (resid 178 and name HG1* ) 4.51 2.71 2.71 !peak 1747 #SUP 0.96 #QF 0.89 assign (resid 100 and name HG2* ) (resid 119 and name HA ) 3.31 1.51 1.51 !peak 1756 #SUP 0.91 #QF 0.91 assign (resid 102 and name HB ) (resid 103 and name HG2* ) 3.79 1.99 1.99 !peak 1758 #SUP 0.35 #QF 0.35 assign (resid 121 and name HB* ) (resid 177 and name HN ) 3.61 1.81 1.81 !peak 1762 #SUP 0.83 #QF 0.83 assign (resid 97 and name HN ) (resid 121 and name HB* ) 3.94 2.14 2.14 !peak 1763 #SUP 0.92 #QF 0.56 assign (resid 98 and name HN ) (resid 121 and name HB* ) 3.65 1.85 1.85 !peak 1763 #SUP 0.92 #QF 0.56 assign (resid 99 and name HD2 ) (resid 121 and name HB* ) 4.10 2.30 2.30 !peak 1764 #SUP 0.69 #QF 0.69 assign (resid 120 and name HA ) (resid 121 and name HB* ) 3.33 1.53 1.53 !peak 1765 #SUP 0.98 #QF 0.98 assign (resid 97 and name HA ) (resid 121 and name HB* ) 3.80 2.00 2.00 !peak 1766 #SUP 0.77 #QF 0.69 assign (resid 98 and name HA ) (resid 121 and name HB* ) 3.91 2.11 2.11 !peak 1766 #SUP 0.77 #QF 0.69 assign (resid 124 and name HA ) (resid 181 and name HD2* ) 3.35 1.55 1.55 !peak 1767 #SUP 0.97 #QF 0.97 assign (resid 159 and name HN ) (resid 178 and name HG2* ) 3.51 1.71 1.71 !peak 1769 #SUP 0.63 #QF 0.63 assign (resid 161 and name HG1* ) (resid 174 and name HN ) 3.49 1.69 1.69 !peak 1770 #SUP 0.82 #QF 0.82 assign (resid 119 and name HN ) (resid 174 and name HD1* ) 3.45 1.65 1.65 !peak 1771 #SUP 0.31 #QF 0.31 assign (resid 174 and name HN ) (resid 174 and name HD1* ) 3.36 1.56 1.56 !peak 1773 #SUP 0.54 #QF 0.54 assign (resid 125 and name HD1* ) (resid 129 and name HN ) 3.76 1.96 1.96 !peak 1774 #SUP 0.87 #QF 0.43 assign (resid 120 and name HA ) (resid 174 and name HD1* ) 3.55 1.75 1.75 !peak 1775 #SUP 0.61 #QF 0.61 assign (resid 125 and name HD1* ) (resid 130 and name HA ) 3.39 1.59 1.59 !peak 1778 #SUP 0.89 #QF 0.89 assign (resid 179 and name HN ) (resid 180 and name HD2* ) 3.80 2.00 2.00 !peak 1781 #SUP 0.66 #QF 0.66 assign (resid 98 and name HD2* ) (resid 99 and name HN ) 3.68 1.88 1.88 !peak 1786 #SUP 0.91 #QF 0.91 assign (resid 95 and name HN ) (resid 95 and name HD2* ) 3.47 1.67 1.67 !peak 1791 #SUP 0.71 #QF 0.71 assign (resid 98 and name HN ) (resid 98 and name HD1* ) 3.34 1.54 1.54 !peak 1796 #SUP 0.46 #QF 0.46 assign (resid 175 and name HD1* ) (resid 176 and name HN ) 3.79 1.99 1.99 !peak 1806 #SUP 0.93 #QF 0.93 assign (resid 118 and name HA ) (resid 175 and name HD1* ) 3.73 1.93 1.93 !peak 1809 #SUP 0.73 #QF 0.73 assign (resid 122 and name HN ) (resid 176 and name HD2* ) 3.53 1.73 1.73 !peak 1810 #SUP 0.90 #QF 0.90 assign (resid 120 and name HA ) (resid 176 and name HD2* ) 3.90 2.10 2.10 !peak 1812 #SUP 0.99 #QF 0.99 assign (resid 119 and name HN ) (resid 119 and name HD1* ) 3.49 1.69 1.69 !peak 1813 #SUP 0.99 #QF 0.96 assign (resid 99 and name HE1 ) (resid 119 and name HD1* ) 3.56 1.76 1.76 !peak 1814 #SUP 0.96 #QF 0.96 assign (resid 99 and name HD1 ) (resid 119 and name HD1* ) 3.52 1.72 1.72 !peak 1815 #SUP 0.97 #QF 0.97 assign (resid 124 and name HA ) (resid 181 and name HD1* ) 3.41 1.61 1.61 !peak 1819 #SUP 0.71 #QF 0.71 assign (resid 180 and name HD1* ) (resid 181 and name HN ) 3.69 1.89 1.89 !peak 1821 #SUP 0.81 #QF 0.81 assign (resid 125 and name HD2* ) (resid 149 and name HN ) 3.94 2.14 2.14 !peak 1824 #SUP 0.57 #QF 0.57 assign (resid 125 and name HD2* ) (resid 179 and name HN ) 3.94 2.14 2.14 !peak 1825 #SUP 0.77 #QF 0.77 assign (resid 125 and name HD2* ) (resid 129 and name HN ) 3.90 2.10 2.10 !peak 1826 #SUP 0.99 #QF 0.99 assign (resid 161 and name HB ) (resid 176 and name HD1* ) 3.63 1.83 1.83 !peak 1828 #SUP 0.85 #QF 0.85 assign (resid 174 and name HN ) (resid 174 and name HD2* ) 3.57 1.77 1.77 !peak 1833 #SUP 1.00 assign (resid 179 and name HG2 ) (resid 180 and name HN ) 3.56 1.76 1.76 !peak 1840 #SUP 0.54 #QF 0.54 assign (resid 123 and name HN ) (resid 179 and name HG2 ) 3.33 1.53 1.53 !peak 1841 #SUP 0.58 #QF 0.58 assign (resid 124 and name HA ) (resid 179 and name HG2 ) 3.61 1.81 1.81 !peak 1844 #SUP 0.90 #QF 0.90 assign (resid 122 and name HG1 ) (resid 179 and name HG2 ) 3.53 1.73 1.73 !peak 1845 #SUP 0.99 #QF 0.99 assign (resid 179 and name HN ) (resid 179 and name HG1 ) 3.52 1.72 1.72 !peak 1846 #SUP 0.86 #QF 0.86 assign (resid 136 and name HN ) (resid 136 and name HG2 ) 3.61 1.81 1.81 !peak 1852 #SUP 0.84 #QF 0.84 assign (resid 136 and name HG2 ) (resid 137 and name HN ) 3.56 1.76 1.76 !peak 1853 #SUP 0.96 #QF 0.96 assign (resid 126 and name HB ) (resid 181 and name HG ) 4.21 2.41 2.41 !peak 1858 #SUP 0.92 #QF 0.92 assign (resid 135 and name HA ) (resid 148 and name HG1 ) 3.84 2.04 2.04 !peak 1865 #SUP 0.91 #QF 0.75 assign (resid 181 and name HB2 ) (resid 182 and name HG2 ) 3.87 2.07 2.07 !peak 1877 #SUP 0.93 #QF 0.93 assign (resid 124 and name HG2 ) (resid 125 and name HA ) 3.77 1.97 1.97 !peak 1881 #SUP 0.55 #QF 0.55 assign (resid 124 and name HG2 ) (resid 179 and name HB2 ) 4.17 2.37 2.37 !peak 1882 #SUP 0.84 #QF 0.84 assign (resid 124 and name HG2 ) (resid 181 and name HD1* ) 3.49 1.69 1.69 !peak 1883 #SUP 0.53 #QF 0.53 assign (resid 155 and name HB1 ) (resid 180 and name HD1* ) 3.42 1.62 1.62 !peak 1894 #SUP 0.93 #QF 0.93 assign (resid 148 and name HB2 ) (resid 149 and name HN ) 3.32 1.52 1.52 !peak 1895 #SUP 0.88 #QF 0.88 assign (resid 135 and name HA ) (resid 148 and name HB2 ) 3.53 1.73 1.73 !peak 1896 #SUP 0.88 #QF 0.88 assign (resid 147 and name HA ) (resid 148 and name HB2 ) 3.69 1.89 1.89 !peak 1897 #SUP 0.97 #QF 0.67 assign (resid 147 and name HA ) (resid 148 and name HB1 ) 3.86 2.06 2.06 !peak 1897 #SUP 0.97 #QF 0.67 assign (resid 135 and name HB1 ) (resid 148 and name HB2 ) 4.03 2.23 2.23 !peak 1898 #SUP 0.92 #QF 0.89 assign (resid 147 and name HB ) (resid 148 and name HB1 ) 4.45 2.65 2.65 !peak 1898 #SUP 0.92 #QF 0.89 assign (resid 128 and name HB1 ) (resid 129 and name HN ) 3.53 1.73 1.73 !peak 1901 #SUP 0.99 #QF 0.99 assign (resid 128 and name HB2 ) (resid 129 and name HN ) 3.53 1.73 1.73 !peak 1905 #SUP 0.70 #QF 0.70 assign (resid 125 and name HA ) (resid 129 and name HB2 ) 3.44 1.64 1.64 !peak 1913 #SUP 0.78 #QF 0.78 assign (resid 129 and name HB2 ) (resid 130 and name HA ) 3.50 1.70 1.70 !peak 1914 #SUP 0.67 #QF 0.67 assign (resid 129 and name HB1 ) (resid 130 and name HN ) 3.29 1.49 1.49 !peak 1918 #SUP 0.68 #QF 0.68 assign (resid 126 and name HG2* ) (resid 129 and name HB1 ) 3.64 1.84 1.84 !peak 1919 #SUP 0.99 #QF 0.87 assign (resid 156 and name HN ) (resid 178 and name HB ) 3.50 1.70 1.70 !peak 1927 #SUP 0.96 #QF 0.96 assign (resid 137 and name HB ) (resid 138 and name HN ) 3.55 1.75 1.75 !peak 1935 #SUP 0.99 #QF 0.84 assign (resid 176 and name HA ) (resid 177 and name HB ) 3.69 1.89 1.89 !peak 1936 #SUP 0.90 #QF 0.90 assign (resid 123 and name HN ) (resid 179 and name HB2 ) 3.83 2.03 2.03 !peak 1943 #SUP 0.91 #QF 0.76 assign (resid 125 and name HN ) (resid 179 and name HB2 ) 4.02 2.22 2.22 !peak 1943 #SUP 0.91 #QF 0.76 assign (resid 120 and name HB2 ) (resid 175 and name HA ) 3.93 2.13 2.12 !peak 1954 #SUP 0.56 #QF 0.56 assign (resid 158 and name HB ) (resid 159 and name HN ) 3.56 1.76 1.76 !peak 1959 #SUP 1.00 assign (resid 157 and name HA ) (resid 158 and name HB ) 3.59 1.79 1.79 !peak 1960 #SUP 0.73 #QF 0.73 assign (resid 155 and name HG1 ) (resid 156 and name HN ) 3.49 1.69 1.69 !peak 1962 #SUP 0.90 #QF 0.90 assign (resid 155 and name HN ) (resid 155 and name HG1 ) 3.48 1.68 1.68 !peak 1963 #SUP 0.99 #QF 0.99 assign (resid 155 and name HG1 ) (resid 180 and name HD1* ) 3.46 1.66 1.66 !peak 1966 #SUP 0.78 #QF 0.78 assign (resid 136 and name HN ) (resid 147 and name HB ) 3.70 1.90 1.90 !peak 1968 #SUP 0.91 #QF 0.91 assign (resid 136 and name HG1 ) (resid 147 and name HB ) 4.16 2.36 2.36 !peak 1969 #SUP 0.96 #QF 0.96 assign (resid 97 and name HG ) (resid 138 and name HB ) 3.96 2.16 2.16 !peak 1973 #SUP 0.71 #QF 0.71 assign (resid 155 and name HN ) (resid 155 and name HG2 ) 3.48 1.68 1.68 !peak 1975 #SUP 0.96 #QF 0.96 assign (resid 135 and name HG2 ) (resid 148 and name HA ) 3.36 1.56 1.56 !peak 1979 #SUP 0.93 #QF 0.93 assign (resid 135 and name HN ) (resid 135 and name HG1 ) 3.48 1.68 1.68 !peak 1981 #SUP 0.94 #QF 0.84 assign (resid 135 and name HG1 ) (resid 148 and name HN ) 3.76 1.96 1.96 !peak 1981 #SUP 0.94 #QF 0.84 assign (resid 135 and name HG1 ) (resid 148 and name HA ) 3.39 1.59 1.59 !peak 1983 #SUP 0.81 #QF 0.81 assign (resid 135 and name HG1 ) (resid 148 and name HG1 ) 3.53 1.73 1.73 !peak 1986 #SUP 0.77 #QF 0.77 assign (resid 139 and name HG1 ) (resid 140 and name HN ) 3.72 1.92 1.92 !peak 1987 #SUP 0.95 #QF 0.85 assign (resid 122 and name HG2 ) (resid 179 and name HG2 ) 3.53 1.73 1.73 !peak 1994 #SUP 0.91 #QF 0.91 assign (resid 158 and name HA ) (resid 159 and name HB ) 3.56 1.76 1.76 !peak 2000 #SUP 0.90 #QF 0.90 assign (resid 98 and name HB1 ) (resid 99 and name HN ) 3.47 1.67 1.67 !peak 2013 #SUP 0.56 #QF 0.56 assign (resid 180 and name HA ) (resid 181 and name HB2 ) 3.57 1.77 1.77 !peak 2015 #SUP 0.92 #QF 0.92 assign (resid 123 and name HB2 ) (resid 176 and name HB2 ) 3.80 2.00 2.00 !peak 2031 #SUP 0.98 #QF 0.94 assign (resid 119 and name HB1 ) (resid 120 and name HN ) 3.48 1.68 1.68 !peak 2033 #SUP 0.77 #QF 0.77 assign (resid 125 and name HB1 ) (resid 129 and name HB1 ) 3.89 2.09 2.09 !peak 2043 #SUP 0.62 #QF 0.62 assign (resid 125 and name HB2 ) (resid 129 and name HB1 ) 3.77 1.97 1.97 !peak 2047 #SUP 0.68 #QF 0.68 assign (resid 155 and name HA ) (resid 156 and name HA2 ) 3.39 1.59 1.59 !peak 2049 #SUP 0.59 #QF 0.59 assign (resid 134 and name HA1 ) (resid 135 and name HB2 ) 3.40 1.60 1.60 !peak 2051 #SUP 0.55 #QF 0.55 assign (resid 171 and name HA ) (resid 172 and name HA2 ) 3.56 1.76 1.76 !peak 2052 #SUP 0.98 #QF 0.98 assign (resid 134 and name HA2 ) (resid 149 and name HN ) 3.57 1.77 1.77 !peak 2054 #SUP 0.93 #QF 0.93 assign (resid 134 and name HA2 ) (resid 135 and name HG1 ) 3.79 1.99 1.99 !peak 2058 #SUP 0.64 #QF 0.64 assign (resid 162 and name HA ) (resid 163 and name HA1 ) 3.67 1.87 1.87 !peak 2069 #SUP 0.87 #QF 0.81 assign (resid 162 and name HB2 ) (resid 163 and name HA1 ) 3.47 1.67 1.67 !peak 2070 #SUP 0.95 #QF 0.95 assign (resid 162 and name HA ) (resid 163 and name HA2 ) 3.67 1.87 1.87 !peak 2074 #SUP 0.58 #QF 0.58 assign (resid 166 and name HA2 ) (resid 167 and name HB2 ) 3.44 1.64 1.64 !peak 2079 #SUP 0.88 #QF 0.88 assign (resid 136 and name HD1 ) (resid 137 and name HB ) 4.06 2.26 2.26 !peak 2096 #SUP 0.95 #QF 0.87 assign (resid 171 and name HA ) (resid 172 and name HA1 ) 3.56 1.76 1.76 !peak 2099 #SUP 0.71 #QF 0.71 assign (resid 173 and name HB2 ) (resid 174 and name HN ) 3.29 1.49 1.49 !peak 2100 #SUP 0.91 #QF 0.91 assign (resid 173 and name HB2 ) (resid 175 and name HD2* ) 3.72 1.92 1.92 !peak 2105 #SUP 0.71 #QF 0.71 assign (resid 173 and name HB1 ) (resid 175 and name HD2* ) 3.72 1.92 1.92 !peak 2111 #SUP 0.49 #QF 0.49 assign (resid 99 and name HE1 ) (resid 141 and name HA ) 3.64 1.84 1.84 !peak 2113 #SUP 0.25 #QF 0.25 assign (resid 181 and name HN ) (resid 182 and name HD2 ) 3.56 1.76 1.76 !peak 2131 #SUP 0.99 #QF 0.99 assign (resid 154 and name HA ) (resid 155 and name HA ) 3.54 1.74 1.74 !peak 2144 #SUP 0.76 #QF 0.76 assign (resid 154 and name HA ) (resid 155 and name HB2 ) 3.69 1.89 1.89 !peak 2146 #SUP 0.77 #QF 0.77 assign (resid 130 and name HB* ) (resid 154 and name HA ) 3.45 1.65 1.65 !peak 2147 #SUP 0.99 #QF 0.99 assign (resid 181 and name HA ) (resid 182 and name HG2 ) 3.45 1.65 1.65 !peak 2151 #SUP 0.60 #QF 0.60 assign (resid 121 and name HA ) (resid 176 and name HA ) 3.90 2.10 2.10 !peak 2156 #SUP 0.85 #QF 0.85 assign (resid 120 and name HA ) (resid 176 and name HA ) 3.54 1.74 1.74 !peak 2159 #SUP 0.98 #QF 0.98 assign (resid 159 and name HB ) (resid 176 and name HA ) 4.01 2.21 2.21 !peak 2161 #SUP 0.99 #QF 0.56 assign (resid 175 and name HB2 ) (resid 176 and name HA ) 4.30 2.50 2.50 !peak 2161 #SUP 0.99 #QF 0.56 assign (resid 123 and name HB2 ) (resid 176 and name HA ) 3.53 1.73 1.73 !peak 2163 #SUP 0.55 #QF 0.55 assign (resid 180 and name HA ) (resid 181 and name HA ) 3.41 1.61 1.61 !peak 2164 #SUP 0.87 #QF 0.87 assign (resid 164 and name HA ) (resid 164 and name HE* ) 3.30 1.50 1.50 !peak 2165 #SUP 0.56 #QF 0.56 assign (resid 135 and name HA ) (resid 149 and name HG12 ) 3.35 1.55 1.55 !peak 2169 #SUP 0.58 #QF 0.58 assign (resid 119 and name HA ) (resid 120 and name HA ) 3.36 1.56 1.56 !peak 2171 #SUP 0.84 #QF 0.84 assign (resid 140 and name HN ) (resid 144 and name HA ) 3.32 1.52 1.52 !peak 2172 #SUP 0.84 #QF 0.84 assign (resid 140 and name HN ) (resid 143 and name HA ) 3.86 2.06 2.06 !peak 2173 #SUP 0.69 #QF 0.43 assign (resid 142 and name HN ) (resid 143 and name HA ) 4.16 2.36 2.36 !peak 2173 #SUP 0.69 #QF 0.43 assign (resid 129 and name HA ) (resid 133 and name HN ) 3.52 1.72 1.72 !peak 2190 #SUP 0.37 #QF 0.37 assign (resid 127 and name HA ) (resid 130 and name HN ) 3.57 1.77 1.77 !peak 2194 #SUP 0.60 #QF 0.60 assign (resid 145 and name HA ) (resid 146 and name HA ) 3.52 1.72 1.72 !peak 2198 #SUP 0.68 #QF 0.48 assign (resid 146 and name HA ) (resid 147 and name HA ) 3.72 1.92 1.92 !peak 2198 #SUP 0.68 #QF 0.48 assign (resid 124 and name HA ) (resid 125 and name HA ) 3.51 1.71 1.71 !peak 2201 #SUP 0.71 #QF 0.71 assign (resid 124 and name HA ) (resid 178 and name HG1* ) 3.42 1.62 1.62 !peak 2204 #SUP 0.85 #QF 0.85 assign (resid 157 and name HA ) (resid 158 and name HA ) 3.41 1.61 1.61 !peak 2205 #SUP 0.84 #QF 0.84 assign (resid 131 and name HA ) (resid 151 and name HA ) 3.49 1.69 1.69 !peak 2211 #SUP 0.57 #QF 0.57 assign (resid 140 and name HA ) (resid 141 and name HB* ) 3.38 1.58 1.58 !peak 2215 #SUP 0.84 #QF 0.84 assign (resid 140 and name HA ) (resid 141 and name HA ) 3.45 1.65 1.65 !peak 2216 #SUP 0.86 #QF 0.86 assign (resid 158 and name HA ) (resid 159 and name HA ) 3.50 1.70 1.70 !peak 2217 #SUP 0.59 #QF 0.59 assign (resid 128 and name HA ) (resid 131 and name HN ) 3.44 1.64 1.64 !peak 2218 #SUP 0.94 #QF 0.94 assign (resid 162 and name HA ) (resid 174 and name HN ) 3.50 1.70 1.70 !peak 2220 #SUP 0.88 #QF 0.88 assign (resid 157 and name HA ) (resid 178 and name HB ) 3.47 1.67 1.67 !peak 2225 #SUP 0.92 #QF 0.92 assign (resid 100 and name HG2* ) (resid 102 and name HA ) 3.75 1.95 1.95 !peak 2226 #SUP 0.92 #QF 0.82 assign (resid 102 and name HA ) (resid 103 and name HG2* ) 3.97 2.17 2.17 !peak 2226 #SUP 0.92 #QF 0.82 assign (resid 153 and name HA ) (resid 154 and name HA ) 3.56 1.76 1.76 !peak 2227 #SUP 0.84 #QF 0.84 assign (resid 153 and name HA ) (resid 178 and name HG1* ) 3.57 1.77 1.77 !peak 2228 #SUP 0.83 #QF 0.83 assign (resid 181 and name HB2 ) (resid 182 and name HA ) 3.86 2.06 2.06 !peak 2232 #SUP 0.95 #QF 0.95 assign (resid 132 and name HA ) (resid 151 and name HA ) 3.53 1.73 1.73 !peak 2238 #SUP 0.52 #QF 0.52 assign (resid 124 and name HA ) (resid 178 and name HA ) 3.57 1.77 1.77 !peak 2247 #SUP 0.94 #QF 0.94 assign (resid 177 and name HA ) (resid 178 and name HA ) 3.44 1.64 1.64 !peak 2249 #SUP 0.99 #QF 0.99 assign (resid 178 and name HA ) (resid 179 and name HB2 ) 3.34 1.54 1.54 !peak 2250 #SUP 0.86 #QF 0.86 assign (resid 118 and name HA ) (resid 119 and name HA ) 3.38 1.58 1.57 !peak 2258 #SUP 0.80 #QF 0.80 assign (resid 118 and name HA ) (resid 172 and name HA1 ) 3.44 1.64 1.64 !peak 2259 #SUP 0.96 #QF 0.96 assign (resid 118 and name HA ) (resid 119 and name HG ) 3.36 1.56 1.56 !peak 2261 #SUP 0.76 #QF 0.76 assign (resid 118 and name HA ) (resid 119 and name HD2* ) 3.42 1.62 1.62 !peak 2262 #SUP 0.72 #QF 0.72 assign (resid 138 and name HG1* ) (resid 139 and name HN ) 3.13 1.33 1.33 !peak 2264 #SUP 0.85 #QF 0.85 assign (resid 128 and name HA ) (resid 131 and name HB1 ) 3.20 1.40 1.40 !peak 2269 #SUP 0.98 #QF 0.80 assign (resid 129 and name HA ) (resid 129 and name HG2 ) 3.15 1.35 1.36 !peak 2289 #SUP 0.65 #QF 0.65 assign (resid 129 and name HN ) (resid 129 and name HG2 ) 3.07 1.27 1.27 !peak 2290 #SUP 0.69 #QF 0.69 assign (resid 126 and name HN ) (resid 129 and name HG2 ) 3.42 1.62 1.62 !peak 2294 #SUP 0.74 #QF 0.74 assign (resid 99 and name HA ) (resid 121 and name HB* ) 3.50 1.70 1.70 !peak 2307 #SUP 0.37 #QF 0.37 assign (resid 141 and name HB* ) (resid 142 and name HN ) 3.07 1.27 1.27 !peak 1 #SUP 0.86 #QF 0.86 assign (resid 141 and name HA ) (resid 142 and name HN ) 2.70 0.90 0.90 !peak 2 #SUP 0.85 #QF 0.85 assign (resid 141 and name HN ) (resid 142 and name HN ) 2.93 1.13 1.13 !peak 66 #SUP 0.65 #QF 0.65 assign (resid 140 and name HA ) (resid 142 and name HN ) 3.33 1.53 1.53 !peak 68 #SUP 0.84 #QF 0.84 assign (resid 134 and name HN ) (resid 149 and name HN ) 3.57 1.77 1.77 !peak 73 #SUP 0.86 #QF 0.86 assign (resid 134 and name HN ) (resid 149 and name HG12 ) 3.49 1.69 1.69 !peak 79 #SUP 0.36 #QF 0.36 assign (resid 172 and name HN ) (resid 173 and name HN ) 3.43 1.63 1.63 !peak 82 #SUP 0.90 #QF 0.90 assign (resid 166 and name HN ) (resid 172 and name HN ) 2.95 1.15 1.15 !peak 83 #SUP 0.48 #QF 0.48 assign (resid 171 and name HA ) (resid 172 and name HN ) 2.51 0.71 0.71 !peak 86 #SUP 0.91 #QF 0.91 assign (resid 163 and name HN ) (resid 165 and name HN ) 3.35 1.55 1.55 !peak 105 #SUP 0.84 #QF 0.84 assign (resid 165 and name HN ) (resid 166 and name HN ) 3.18 1.38 1.38 !peak 106 #SUP 0.78 #QF 0.78 assign (resid 164 and name HN ) (resid 165 and name HN ) 2.80 1.00 1.00 !peak 107 #SUP 0.97 #QF 0.97 assign (resid 133 and name HN ) (resid 134 and name HN ) 3.39 1.59 1.59 !peak 117 #SUP 0.49 #QF 0.49 assign (resid 130 and name HA ) (resid 133 and name HN ) 3.06 1.26 1.26 !peak 120 #SUP 0.80 #QF 0.21 assign (resid 167 and name HA ) (resid 168 and name HN ) 2.36 0.56 0.56 !peak 128 #SUP 0.78 #QF 0.78 assign (resid 167 and name HB1 ) (resid 168 and name HN ) 2.73 0.93 0.93 !peak 133 #SUP 0.82 #QF 0.82 assign (resid 152 and name HN ) (resid 153 and name HN ) 2.80 1.00 1.00 !peak 135 #SUP 0.74 #QF 0.74 assign (resid 151 and name HA ) (resid 152 and name HN ) 2.69 0.89 0.89 !peak 137 #SUP 0.75 #QF 0.56 assign (resid 119 and name HN ) (resid 166 and name HN ) 3.17 1.37 1.37 !peak 142 #SUP 0.69 #QF 0.69 assign (resid 118 and name HA ) (resid 166 and name HN ) 3.43 1.63 1.63 !peak 146 #SUP 0.43 #QF 0.43 assign (resid 119 and name HG ) (resid 166 and name HN ) 2.89 1.09 1.09 !peak 152 #SUP 0.76 #QF 0.76 assign (resid 119 and name HD2* ) (resid 166 and name HN ) 3.42 1.62 1.62 !peak 155 #SUP 0.93 #QF 0.93 assign (resid 119 and name HD1* ) (resid 166 and name HN ) 3.08 1.28 1.28 !peak 156 #SUP 0.92 #QF 0.92 assign (resid 116 and name HN ) (resid 172 and name HN ) 3.70 1.90 1.90 !peak 157 #SUP 0.88 #QF 0.88 assign (resid 116 and name HN ) (resid 117 and name HN ) 3.33 1.53 1.53 !peak 158 #SUP 0.59 #QF 0.59 assign (resid 115 and name HA ) (resid 116 and name HN ) 2.58 0.78 0.78 !peak 160 #SUP 0.60 #QF 0.60 assign (resid 126 and name HN ) (resid 129 and name HN ) 3.16 1.36 1.36 !peak 165 #SUP 0.85 #QF 0.85 assign (resid 125 and name HA ) (resid 126 and name HN ) 2.65 0.85 0.85 !peak 166 #SUP 0.86 #QF 0.86 assign (resid 126 and name HN ) (resid 129 and name HB1 ) 2.91 1.11 1.11 !peak 169 #SUP 0.86 #QF 0.86 assign (resid 126 and name HN ) (resid 129 and name HG1 ) 3.42 1.62 1.62 !peak 170 #SUP 0.60 #QF 0.60 assign (resid 126 and name HN ) (resid 129 and name HB2 ) 2.97 1.17 1.17 !peak 171 #SUP 0.91 #QF 0.91 assign (resid 125 and name HB1 ) (resid 126 and name HN ) 3.07 1.27 1.27 !peak 172 #SUP 0.96 #QF 0.96 assign (resid 125 and name HB2 ) (resid 126 and name HN ) 3.32 1.52 1.52 !peak 173 #SUP 0.60 #QF 0.60 assign (resid 126 and name HN ) (resid 126 and name HG2* ) 2.56 0.76 0.76 !peak 174 #SUP 0.79 #QF 0.79 assign (resid 126 and name HN ) (resid 181 and name HD1* ) 3.40 1.60 1.60 !peak 175 #SUP 0.90 #QF 0.90 assign (resid 125 and name HD1* ) (resid 126 and name HN ) 2.87 1.07 1.07 !peak 176 #SUP 0.91 #QF 0.91 assign (resid 163 and name HN ) (resid 174 and name HN ) 3.30 1.50 1.50 !peak 177 #SUP 0.81 #QF 0.81 assign (resid 163 and name HN ) (resid 164 and name HN ) 3.00 1.20 1.20 !peak 178 #SUP 0.96 #QF 0.96 assign (resid 163 and name HN ) (resid 173 and name HA ) 2.85 1.05 1.05 !peak 179 #SUP 0.96 #QF 0.96 assign (resid 162 and name HA ) (resid 163 and name HN ) 2.54 0.74 0.74 !peak 180 #SUP 0.93 #QF 0.93 assign (resid 162 and name HB2 ) (resid 163 and name HN ) 2.87 1.07 1.07 !peak 183 #SUP 0.87 #QF 0.87 assign (resid 162 and name HG2 ) (resid 163 and name HN ) 3.60 1.80 1.80 !peak 185 #SUP 0.93 #QF 0.93 assign (resid 132 and name HN ) (resid 132 and name HD2 ) 3.44 1.64 1.64 !peak 186 #SUP 0.51 #QF 0.51 assign (resid 128 and name HA ) (resid 132 and name HN ) 3.45 1.65 1.65 !peak 189 #SUP 0.98 #QF 0.73 assign (resid 131 and name HB1 ) (resid 132 and name HN ) 2.62 0.82 0.82 !peak 190 #SUP 0.76 #QF 0.76 assign (resid 131 and name HB2 ) (resid 132 and name HN ) 2.94 1.14 1.14 !peak 191 #SUP 0.93 #QF 0.93 assign (resid 130 and name HN ) (resid 131 and name HN ) 2.89 1.09 1.09 !peak 192 #SUP 0.92 #QF 0.92 assign (resid 131 and name HN ) (resid 131 and name HB1 ) 2.68 0.88 0.88 !peak 196 #SUP 0.91 #QF 0.91 assign (resid 131 and name HN ) (resid 131 and name HB2 ) 2.72 0.92 0.92 !peak 197 #SUP 0.89 #QF 0.89 assign (resid 130 and name HB* ) (resid 131 and name HN ) 2.75 0.95 0.95 !peak 198 #SUP 0.79 #QF 0.79 assign (resid 131 and name HN ) (resid 153 and name HG1* ) 3.63 1.83 1.83 !peak 199 #SUP 0.85 #QF 0.85 assign (resid 162 and name HA ) (resid 164 and name HN ) 3.22 1.42 1.42 !peak 212 #SUP 0.71 #QF 0.71 assign (resid 164 and name HN ) (resid 174 and name HB1 ) 3.36 1.56 1.56 !peak 217 #SUP 0.73 #QF 0.73 assign (resid 164 and name HN ) (resid 174 and name HB2 ) 3.50 1.70 1.70 !peak 219 #SUP 0.53 #QF 0.53 assign (resid 161 and name HG1* ) (resid 164 and name HN ) 2.96 1.16 1.16 !peak 220 #SUP 0.94 #QF 0.94 assign (resid 151 and name HA ) (resid 153 and name HN ) 3.14 1.34 1.34 !peak 227 #SUP 0.99 #QF 0.48 assign (resid 153 and name HN ) (resid 153 and name HB ) 2.77 0.97 0.97 !peak 230 #SUP 0.96 #QF 0.96 assign (resid 130 and name HB* ) (resid 153 and name HN ) 3.06 1.26 1.26 !peak 232 #SUP 0.91 #QF 0.91 assign (resid 153 and name HN ) (resid 153 and name HG1* ) 2.43 0.63 0.63 !peak 233 #SUP 0.84 #QF 0.84 assign (resid 125 and name HD2* ) (resid 153 and name HN ) 3.22 1.42 1.42 !peak 234 #SUP 0.97 #QF 0.97 assign (resid 161 and name HN ) (resid 174 and name HN ) 3.02 1.22 1.22 !peak 235 #SUP 0.94 #QF 0.94 assign (resid 174 and name HN ) (resid 175 and name HN ) 3.59 1.79 1.79 !peak 236 #SUP 0.92 #QF 0.57 assign (resid 165 and name HN ) (resid 174 and name HN ) 3.45 1.65 1.65 !peak 237 #SUP 0.91 #QF 0.91 assign (resid 164 and name HN ) (resid 174 and name HN ) 3.14 1.34 1.34 !peak 238 #SUP 0.82 #QF 0.82 assign (resid 173 and name HA ) (resid 174 and name HN ) 2.75 0.95 0.95 !peak 239 #SUP 0.98 #QF 0.98 assign (resid 174 and name HN ) (resid 174 and name HB2 ) 2.93 1.13 1.13 !peak 244 #SUP 0.82 #QF 0.82 assign (resid 129 and name HN ) (resid 129 and name HG1 ) 3.07 1.27 1.27 !peak 252 #SUP 0.55 #QF 0.55 assign (resid 126 and name HG2* ) (resid 129 and name HN ) 3.25 1.45 1.45 !peak 253 #SUP 0.42 #QF 0.42 assign (resid 142 and name HN ) (resid 143 and name HN ) 2.61 0.81 0.81 !peak 254 #SUP 0.79 #QF 0.79 assign (resid 139 and name HA ) (resid 143 and name HN ) 3.52 1.72 1.72 !peak 257 #SUP 0.87 #QF 0.87 assign (resid 141 and name HA ) (resid 143 and name HN ) 3.44 1.64 1.64 !peak 260 #SUP 0.82 #QF 0.82 assign (resid 141 and name HB* ) (resid 143 and name HN ) 3.30 1.50 1.50 !peak 265 #SUP 0.86 #QF 0.86 assign (resid 169 and name HN ) (resid 169 and name HB1 ) 3.14 1.34 1.34 !peak 279 #SUP 0.86 #QF 0.86 assign (resid 169 and name HN ) (resid 169 and name HB2 ) 3.14 1.34 1.34 !peak 280 #SUP 0.94 #QF 0.94 assign (resid 153 and name HN ) (resid 154 and name HN ) 3.46 1.66 1.66 !peak 281 #SUP 0.72 #QF 0.72 assign (resid 153 and name HA ) (resid 154 and name HN ) 2.59 0.79 0.79 !peak 283 #SUP 0.83 #QF 0.83 assign (resid 154 and name HN ) (resid 154 and name HB1 ) 3.09 1.29 1.29 !peak 287 #SUP 0.73 #QF 0.73 assign (resid 154 and name HN ) (resid 178 and name HG1* ) 3.29 1.49 1.49 !peak 290 #SUP 0.61 #QF 0.61 assign (resid 156 and name HN ) (resid 157 and name HN ) 2.89 1.09 1.09 !peak 298 #SUP 0.81 #QF 0.81 assign (resid 155 and name HA ) (resid 157 and name HN ) 3.06 1.26 1.26 !peak 305 #SUP 0.83 #QF 0.70 assign (resid 157 and name HN ) (resid 178 and name HB ) 2.86 1.06 1.06 !peak 309 #SUP 0.70 #QF 0.70 assign (resid 157 and name HN ) (resid 178 and name HG1* ) 3.17 1.37 1.37 !peak 312 #SUP 0.75 #QF 0.75 assign (resid 117 and name HN ) (resid 166 and name HN ) 3.48 1.68 1.68 !peak 318 #SUP 0.90 #QF 0.77 assign (resid 117 and name HN ) (resid 172 and name HN ) 3.23 1.43 1.43 !peak 319 #SUP 0.73 #QF 0.73 assign (resid 116 and name HA2 ) (resid 117 and name HN ) 2.71 0.91 0.91 !peak 322 #SUP 0.88 #QF 0.88 assign (resid 116 and name HA1 ) (resid 117 and name HN ) 2.71 0.91 0.91 !peak 324 #SUP 0.92 #QF 0.92 assign (resid 117 and name HN ) (resid 117 and name HB2 ) 3.06 1.26 1.26 !peak 326 #SUP 0.94 #QF 0.94 assign (resid 98 and name HN ) (resid 99 and name HN ) 3.53 1.73 1.73 !peak 328 #SUP 0.93 #QF 0.61 assign (resid 99 and name HN ) (resid 99 and name HD1 ) 4.03 2.23 2.24 !peak 329 #SUP 0.98 #QF 0.82 assign (resid 99 and name HN ) (resid 99 and name HD2 ) 4.22 2.42 2.42 !peak 329 #SUP 0.98 #QF 0.82 assign (resid 98 and name HB2 ) (resid 99 and name HN ) 3.47 1.67 1.67 !peak 334 #SUP 0.90 #QF 0.90 assign (resid 155 and name HN ) (resid 156 and name HN ) 3.44 1.64 1.64 !peak 336 #SUP 0.66 #QF 0.66 assign (resid 155 and name HN ) (resid 157 and name HN ) 3.57 1.77 1.77 !peak 338 #SUP 0.64 #QF 0.64 assign (resid 130 and name HN ) (resid 133 and name HN ) 3.42 1.62 1.62 !peak 339 #SUP 0.66 #QF 0.66 assign (resid 129 and name HN ) (resid 130 and name HN ) 2.80 1.00 1.00 !peak 341 #SUP 0.76 #QF 0.76 assign (resid 154 and name HA ) (resid 155 and name HN ) 2.61 0.81 0.81 !peak 343 #SUP 0.95 #QF 0.95 assign (resid 128 and name HA ) (resid 130 and name HN ) 3.48 1.68 1.68 !peak 344 #SUP 0.89 #QF 0.89 assign (resid 155 and name HN ) (resid 155 and name HB2 ) 2.63 0.83 0.83 !peak 349 #SUP 0.90 #QF 0.90 assign (resid 154 and name HB1 ) (resid 155 and name HN ) 2.65 0.85 0.85 !peak 350 #SUP 0.93 #QF 0.80 assign (resid 155 and name HN ) (resid 155 and name HB1 ) 2.75 0.95 0.95 !peak 350 #SUP 0.93 #QF 0.80 assign (resid 154 and name HG2 ) (resid 155 and name HN ) 2.76 0.96 0.96 !peak 351 #SUP 0.82 #QF 0.82 assign (resid 130 and name HN ) (resid 130 and name HB* ) 2.53 0.73 0.73 !peak 352 #SUP 0.60 #QF 0.60 assign (resid 155 and name HN ) (resid 180 and name HD1* ) 2.71 0.91 0.91 !peak 353 #SUP 0.98 #QF 0.98 assign (resid 125 and name HD2* ) (resid 130 and name HN ) 2.87 1.07 1.07 !peak 354 #SUP 0.69 #QF 0.69 assign (resid 166 and name HN ) (resid 167 and name HN ) 3.40 1.60 1.60 !peak 355 #SUP 0.96 #QF 0.96 assign (resid 167 and name HN ) (resid 168 and name HN ) 3.42 1.62 1.62 !peak 356 #SUP 0.93 #QF 0.93 assign (resid 167 and name HN ) (resid 167 and name HB2 ) 2.54 0.74 0.74 !peak 361 #SUP 0.68 #QF 0.68 assign (resid 119 and name HD1* ) (resid 167 and name HN ) 3.44 1.64 1.64 !peak 362 #SUP 0.60 #QF 0.60 assign (resid 122 and name HN ) (resid 123 and name HN ) 3.42 1.62 1.62 !peak 363 #SUP 0.58 #QF 0.58 assign (resid 121 and name HA ) (resid 122 and name HN ) 2.61 0.81 0.81 !peak 365 #SUP 0.90 #QF 0.90 assign (resid 122 and name HN ) (resid 122 and name HB2 ) 2.92 1.12 1.12 !peak 367 #SUP 0.67 #QF 0.67 assign (resid 122 and name HN ) (resid 122 and name HB1 ) 2.92 1.12 1.12 !peak 368 #SUP 0.97 #QF 0.97 assign (resid 121 and name HB* ) (resid 122 and name HN ) 2.63 0.83 0.83 !peak 369 #SUP 0.96 #QF 0.96 assign (resid 118 and name HA ) (resid 119 and name HN ) 2.63 0.83 0.83 !peak 374 #SUP 0.93 #QF 0.93 assign (resid 119 and name HN ) (resid 119 and name HB1 ) 3.09 1.29 1.29 !peak 379 #SUP 0.79 #QF 0.79 assign (resid 119 and name HN ) (resid 119 and name HB2 ) 3.09 1.29 1.29 !peak 380 #SUP 0.96 #QF 0.96 assign (resid 145 and name HA ) (resid 146 and name HN ) 2.36 0.56 0.56 !peak 387 #SUP 0.61 #QF 0.61 assign (resid 146 and name HN ) (resid 146 and name HB1 ) 2.73 0.93 0.93 !peak 389 #SUP 0.71 #QF 0.71 assign (resid 134 and name HA1 ) (resid 135 and name HN ) 2.58 0.78 0.78 !peak 394 #SUP 0.87 #QF 0.87 assign (resid 134 and name HA2 ) (resid 135 and name HN ) 2.73 0.93 0.93 !peak 395 #SUP 0.96 #QF 0.96 assign (resid 135 and name HN ) (resid 135 and name HG2 ) 3.46 1.66 1.66 !peak 396 #SUP 0.75 #QF 0.75 assign (resid 128 and name HN ) (resid 129 and name HN ) 2.85 1.05 1.05 !peak 399 #SUP 0.90 #QF 0.90 assign (resid 126 and name HB ) (resid 128 and name HN ) 3.07 1.27 1.27 !peak 400 #SUP 0.53 #QF 0.53 assign (resid 127 and name HB1 ) (resid 128 and name HN ) 3.00 1.20 1.20 !peak 406 #SUP 0.85 #QF 0.85 assign (resid 127 and name HB2 ) (resid 128 and name HN ) 3.00 1.20 1.20 !peak 407 #SUP 0.88 #QF 0.88 assign (resid 126 and name HG2* ) (resid 128 and name HN ) 3.76 1.96 1.96 !peak 408 #SUP 0.99 #QF 0.92 assign (resid 128 and name HN ) (resid 130 and name HB* ) 3.95 2.15 2.15 !peak 408 #SUP 0.99 #QF 0.92 assign (resid 127 and name HD1* ) (resid 128 and name HN ) 3.30 1.50 1.50 !peak 409 #SUP 0.81 #QF 0.81 assign (resid 118 and name HN ) (resid 173 and name HN ) 3.71 1.91 1.91 !peak 410 #SUP 0.95 #QF 0.54 assign (resid 118 and name HA ) (resid 173 and name HN ) 2.84 1.04 1.04 !peak 411 #SUP 0.91 #QF 0.91 assign (resid 172 and name HA2 ) (resid 173 and name HN ) 2.79 0.99 0.99 !peak 413 #SUP 0.96 #QF 0.96 assign (resid 172 and name HA1 ) (resid 173 and name HN ) 2.79 0.99 0.99 !peak 414 #SUP 0.96 #QF 0.96 assign (resid 173 and name HN ) (resid 173 and name HB2 ) 3.12 1.32 1.32 !peak 415 #SUP 0.75 #QF 0.75 assign (resid 173 and name HN ) (resid 173 and name HB1 ) 3.12 1.32 1.32 !peak 416 #SUP 0.88 #QF 0.88 assign (resid 155 and name HA ) (resid 156 and name HN ) 2.51 0.71 0.71 !peak 420 #SUP 0.93 #QF 0.93 assign (resid 155 and name HG2 ) (resid 156 and name HN ) 3.49 1.69 1.69 !peak 422 #SUP 0.73 #QF 0.73 assign (resid 155 and name HB2 ) (resid 156 and name HN ) 3.25 1.45 1.45 !peak 423 #SUP 0.47 #QF 0.47 assign (resid 155 and name HB1 ) (resid 156 and name HN ) 3.33 1.53 1.53 !peak 425 #SUP 0.91 #QF 0.91 assign (resid 156 and name HN ) (resid 180 and name HG ) 3.72 1.92 1.92 !peak 426 #SUP 0.46 #QF 0.46 assign (resid 156 and name HN ) (resid 178 and name HG1* ) 3.01 1.21 1.21 !peak 429 #SUP 0.86 #QF 0.86 assign (resid 127 and name HN ) (resid 128 and name HN ) 2.95 1.15 1.15 !peak 430 #SUP 0.95 #QF 0.95 assign (resid 126 and name HB ) (resid 127 and name HN ) 2.79 0.99 0.99 !peak 431 #SUP 0.70 #QF 0.70 assign (resid 126 and name HA ) (resid 127 and name HN ) 2.73 0.93 0.93 !peak 432 #SUP 0.92 #QF 0.92 assign (resid 127 and name HN ) (resid 127 and name HG ) 2.61 0.81 0.81 !peak 434 #SUP 0.79 #QF 0.79 assign (resid 127 and name HN ) (resid 127 and name HB2 ) 3.15 1.35 1.35 !peak 435 #SUP 0.89 #QF 0.89 assign (resid 126 and name HG2* ) (resid 127 and name HN ) 3.06 1.26 1.26 !peak 436 #SUP 0.95 #QF 0.95 assign (resid 127 and name HN ) (resid 127 and name HD2* ) 3.06 1.26 1.26 !peak 437 #SUP 1.00 #QF 0.98 assign (resid 127 and name HN ) (resid 127 and name HD1* ) 3.33 1.53 1.53 !peak 437 #SUP 1.00 #QF 0.98 assign (resid 136 and name HN ) (resid 147 and name HN ) 2.86 1.06 1.06 !peak 438 #SUP 0.80 #QF 0.80 assign (resid 135 and name HN ) (resid 136 and name HN ) 3.39 1.59 1.59 !peak 439 #SUP 0.98 #QF 0.98 assign (resid 135 and name HA ) (resid 136 and name HN ) 2.50 0.70 0.70 !peak 440 #SUP 0.90 #QF 0.90 assign (resid 136 and name HN ) (resid 148 and name HA ) 3.09 1.29 1.29 !peak 442 #SUP 0.73 #QF 0.73 assign (resid 136 and name HN ) (resid 136 and name HD1 ) 3.63 1.83 1.83 !peak 443 #SUP 0.99 #QF 0.99 assign (resid 135 and name HG2 ) (resid 136 and name HN ) 3.56 1.76 1.76 !peak 444 #SUP 0.73 #QF 0.73 assign (resid 135 and name HB1 ) (resid 136 and name HN ) 2.87 1.07 1.07 !peak 445 #SUP 0.79 #QF 0.65 assign (resid 136 and name HN ) (resid 136 and name HB1 ) 2.98 1.18 1.18 !peak 446 #SUP 0.94 #QF 0.94 assign (resid 136 and name HN ) (resid 136 and name HB2 ) 2.98 1.18 1.18 !peak 447 #SUP 0.89 #QF 0.89 assign (resid 136 and name HN ) (resid 136 and name HG1 ) 3.36 1.56 1.56 !peak 448 #SUP 0.85 #QF 0.85 assign (resid 136 and name HN ) (resid 149 and name HD1* ) 3.63 1.83 1.83 !peak 450 #SUP 0.68 #QF 0.68 assign (resid 138 and name HN ) (resid 139 and name HN ) 3.77 1.97 1.97 !peak 453 #SUP 0.99 #QF 0.90 assign (resid 138 and name HN ) (resid 138 and name HB ) 3.06 1.26 1.26 !peak 455 #SUP 0.54 #QF 0.54 assign (resid 137 and name HG2* ) (resid 138 and name HN ) 3.19 1.39 1.39 !peak 458 #SUP 0.70 #QF 0.48 assign (resid 175 and name HA ) (resid 176 and name HN ) 2.61 0.81 0.80 !peak 461 #SUP 0.77 #QF 0.77 assign (resid 176 and name HN ) (resid 176 and name HB2 ) 2.80 1.00 1.00 !peak 462 #SUP 0.88 #QF 0.88 assign (resid 159 and name HB ) (resid 176 and name HN ) 2.90 1.10 1.10 !peak 463 #SUP 0.79 #QF 0.79 assign (resid 175 and name HB1 ) (resid 176 and name HN ) 2.83 1.03 1.03 !peak 465 #SUP 0.97 #QF 0.97 assign (resid 123 and name HB2 ) (resid 176 and name HN ) 4.48 2.68 2.68 !peak 466 #SUP 0.69 #QF 0.21 assign (resid 140 and name HN ) (resid 143 and name HN ) 2.95 1.15 1.15 !peak 470 #SUP 0.76 #QF 0.76 assign (resid 139 and name HA ) (resid 140 and name HN ) 2.45 0.65 0.65 !peak 471 #SUP 0.90 #QF 0.90 assign (resid 140 and name HN ) (resid 140 and name HB ) 2.90 1.10 1.10 !peak 475 #SUP 0.58 #QF 0.58 assign (resid 121 and name HN ) (resid 177 and name HN ) 3.17 1.37 1.37 !peak 478 #SUP 0.66 #QF 0.66 assign (resid 176 and name HA ) (resid 177 and name HN ) 2.57 0.77 0.77 !peak 481 #SUP 0.95 #QF 0.95 assign (resid 177 and name HN ) (resid 177 and name HB ) 2.74 0.94 0.94 !peak 484 #SUP 0.91 #QF 0.91 assign (resid 176 and name HB1 ) (resid 177 and name HN ) 3.06 1.26 1.26 !peak 486 #SUP 0.74 #QF 0.74 assign (resid 177 and name HN ) (resid 177 and name HG2* ) 3.08 1.28 1.28 !peak 488 #SUP 0.78 #QF 0.78 assign (resid 119 and name HA ) (resid 120 and name HN ) 2.81 1.01 1.01 !peak 491 #SUP 0.89 #QF 0.89 assign (resid 120 and name HN ) (resid 120 and name HB2 ) 2.92 1.12 1.12 !peak 494 #SUP 0.96 #QF 0.96 assign (resid 120 and name HN ) (resid 120 and name HB1 ) 2.82 1.02 1.02 !peak 495 #SUP 0.90 #QF 0.90 assign (resid 119 and name HB2 ) (resid 120 and name HN ) 3.48 1.68 1.68 !peak 496 #SUP 0.94 #QF 0.94 assign (resid 117 and name HN ) (resid 118 and name HN ) 3.46 1.66 1.66 !peak 499 #SUP 1.00 assign (resid 117 and name HA ) (resid 118 and name HN ) 2.45 0.65 0.65 !peak 501 #SUP 0.85 #QF 0.85 assign (resid 118 and name HN ) (resid 118 and name HB1 ) 3.09 1.29 1.29 !peak 505 #SUP 0.83 #QF 0.83 assign (resid 117 and name HB2 ) (resid 118 and name HN ) 3.22 1.42 1.42 !peak 507 #SUP 0.75 #QF 0.75 assign (resid 117 and name HB1 ) (resid 118 and name HN ) 3.22 1.42 1.42 !peak 508 #SUP 0.93 #QF 0.93 assign (resid 118 and name HN ) (resid 119 and name HD2* ) 3.34 1.54 1.54 !peak 510 #SUP 0.21 #QF 0.21 assign (resid 139 and name HN ) (resid 140 and name HN ) 3.35 1.55 1.55 !peak 513 #SUP 0.75 #QF 0.75 assign (resid 136 and name HA ) (resid 137 and name HN ) 2.62 0.82 0.82 !peak 518 #SUP 0.85 #QF 0.66 assign (resid 138 and name HA ) (resid 139 and name HN ) 2.80 1.00 1.00 !peak 518 #SUP 0.85 #QF 0.66 assign (resid 136 and name HD1 ) (resid 137 and name HN ) 3.22 1.42 1.42 !peak 520 #SUP 0.62 #QF 0.62 assign (resid 136 and name HD2 ) (resid 137 and name HN ) 3.16 1.36 1.36 !peak 522 #SUP 0.83 #QF 0.83 assign (resid 138 and name HB ) (resid 139 and name HN ) 3.05 1.25 1.25 !peak 523 #SUP 0.96 #QF 0.96 assign (resid 137 and name HN ) (resid 137 and name HB ) 2.67 0.87 0.87 !peak 524 #SUP 0.78 #QF 0.69 assign (resid 139 and name HN ) (resid 139 and name HB1 ) 2.80 1.00 1.00 !peak 524 #SUP 0.78 #QF 0.69 assign (resid 139 and name HN ) (resid 139 and name HB2 ) 2.80 1.00 1.00 !peak 525 #SUP 0.80 #QF 0.80 assign (resid 136 and name HG1 ) (resid 137 and name HN ) 3.00 1.20 1.20 !peak 528 #SUP 0.72 #QF 0.72 assign (resid 138 and name HG2* ) (resid 139 and name HN ) 3.13 1.33 1.33 !peak 530 #SUP 0.61 #QF 0.61 assign (resid 97 and name HB1 ) (resid 98 and name HN ) 2.65 0.85 0.85 !peak 539 #SUP 0.70 #QF 0.47 assign (resid 98 and name HN ) (resid 98 and name HB2 ) 2.86 1.06 1.06 !peak 539 #SUP 0.70 #QF 0.47 assign (resid 147 and name HN ) (resid 148 and name HN ) 3.51 1.71 1.71 !peak 551 #SUP 0.88 #QF 0.88 assign (resid 148 and name HN ) (resid 149 and name HN ) 3.45 1.65 1.65 !peak 552 #SUP 0.77 #QF 0.77 assign (resid 147 and name HA ) (resid 148 and name HN ) 2.43 0.63 0.63 !peak 554 #SUP 0.75 #QF 0.75 assign (resid 148 and name HN ) (resid 148 and name HB1 ) 2.56 0.76 0.76 !peak 557 #SUP 0.91 #QF 0.68 assign (resid 148 and name HN ) (resid 148 and name HG1 ) 3.44 1.64 1.64 !peak 559 #SUP 0.87 #QF 0.87 assign (resid 180 and name HA ) (resid 181 and name HN ) 2.49 0.69 0.69 !peak 563 #SUP 0.93 #QF 0.93 assign (resid 126 and name HA ) (resid 181 and name HN ) 3.14 1.34 1.34 !peak 565 #SUP 0.70 #QF 0.70 assign (resid 180 and name HB2 ) (resid 181 and name HN ) 3.32 1.52 1.52 !peak 568 #SUP 0.97 #QF 0.97 assign (resid 181 and name HN ) (resid 181 and name HB2 ) 2.46 0.66 0.66 !peak 569 #SUP 0.83 #QF 0.83 assign (resid 180 and name HB1 ) (resid 181 and name HN ) 2.87 1.07 1.07 !peak 570 #SUP 0.82 #QF 0.82 assign (resid 181 and name HN ) (resid 181 and name HD2* ) 2.86 1.06 1.06 !peak 571 #SUP 0.69 #QF 0.69 assign (resid 180 and name HD2* ) (resid 181 and name HN ) 2.87 1.07 1.07 !peak 572 #SUP 0.88 #QF 0.88 assign (resid 94 and name HA ) (resid 95 and name HN ) 2.55 0.75 0.75 !peak 574 #SUP 0.69 #QF 0.69 assign (resid 95 and name HN ) (resid 101 and name HD1 ) 3.80 2.00 2.00 !peak 576 #SUP 0.81 #QF 0.81 assign (resid 95 and name HN ) (resid 95 and name HD1* ) 3.47 1.67 1.67 !peak 580 #SUP 0.95 #QF 0.87 assign (resid 123 and name HN ) (resid 179 and name HN ) 3.39 1.59 1.59 !peak 582 #SUP 0.99 #QF 0.85 assign (resid 125 and name HN ) (resid 179 and name HN ) 3.46 1.66 1.66 !peak 582 #SUP 0.99 #QF 0.85 assign (resid 124 and name HA ) (resid 179 and name HN ) 3.09 1.29 1.29 !peak 583 #SUP 0.97 #QF 0.97 assign (resid 178 and name HA ) (resid 179 and name HN ) 2.52 0.72 0.72 !peak 585 #SUP 0.93 #QF 0.93 assign (resid 179 and name HN ) (resid 179 and name HG2 ) 2.85 1.05 1.05 !peak 588 #SUP 0.87 #QF 0.87 assign (resid 179 and name HN ) (resid 179 and name HB2 ) 2.96 1.16 1.16 !peak 589 #SUP 1.00 #QF 0.91 assign (resid 178 and name HG1* ) (resid 179 and name HN ) 2.67 0.87 0.87 !peak 591 #SUP 0.94 #QF 0.94 assign (resid 135 and name HA ) (resid 149 and name HN ) 2.99 1.19 1.19 !peak 593 #SUP 0.90 #QF 0.90 assign (resid 148 and name HA ) (resid 149 and name HN ) 2.53 0.73 0.73 !peak 594 #SUP 0.94 #QF 0.94 assign (resid 149 and name HN ) (resid 149 and name HB ) 3.06 1.26 1.26 !peak 600 #SUP 0.94 #QF 0.94 assign (resid 148 and name HB1 ) (resid 149 and name HN ) 3.68 1.88 1.88 !peak 601 #SUP 1.00 #QF 0.99 assign (resid 149 and name HN ) (resid 149 and name HG12 ) 2.87 1.07 1.07 !peak 602 #SUP 0.99 #QF 0.67 assign (resid 149 and name HN ) (resid 149 and name HG11 ) 3.00 1.20 1.20 !peak 603 #SUP 0.88 #QF 0.88 assign (resid 149 and name HN ) (resid 149 and name HG2* ) 3.01 1.21 1.21 !peak 604 #SUP 0.99 #QF 0.99 assign (resid 159 and name HA ) (resid 160 and name HN ) 2.47 0.67 0.67 !peak 610 #SUP 0.89 #QF 0.89 assign (resid 159 and name HG2* ) (resid 160 and name HN ) 2.65 0.85 0.85 !peak 617 #SUP 0.97 #QF 0.97 assign (resid 120 and name HN ) (resid 121 and name HN ) 3.44 1.64 1.64 !peak 618 #SUP 0.95 #QF 0.52 assign (resid 120 and name HA ) (resid 121 and name HN ) 2.60 0.80 0.80 !peak 619 #SUP 0.88 #QF 0.88 assign (resid 121 and name HN ) (resid 176 and name HA ) 3.08 1.28 1.28 !peak 620 #SUP 0.92 #QF 0.92 assign (resid 120 and name HB2 ) (resid 121 and name HN ) 3.51 1.71 1.71 !peak 622 #SUP 0.96 #QF 0.72 assign (resid 121 and name HN ) (resid 175 and name HB2 ) 3.64 1.84 1.84 !peak 622 #SUP 0.96 #QF 0.72 assign (resid 121 and name HN ) (resid 121 and name HB* ) 2.81 1.01 1.01 !peak 624 #SUP 0.96 #QF 0.96 assign (resid 121 and name HN ) (resid 176 and name HD2* ) 2.89 1.09 1.09 !peak 625 #SUP 0.77 #QF 0.77 assign (resid 138 and name HN ) (resid 145 and name HN ) 2.74 0.94 0.94 !peak 626 #SUP 0.56 #QF 0.56 assign (resid 146 and name HN ) (resid 147 and name HN ) 3.72 1.92 1.92 !peak 627 #SUP 1.00 #QF 0.98 assign (resid 135 and name HA ) (resid 147 and name HN ) 3.50 1.70 1.70 !peak 628 #SUP 0.95 #QF 0.95 assign (resid 147 and name HN ) (resid 148 and name HA ) 3.79 1.99 1.99 !peak 631 #SUP 0.59 #QF 0.59 assign (resid 139 and name HA ) (resid 145 and name HN ) 3.09 1.29 1.29 !peak 641 #SUP 0.89 #QF 0.89 assign (resid 155 and name HA ) (resid 180 and name HN ) 3.25 1.45 1.45 !peak 649 #SUP 0.97 #QF 0.97 assign (resid 155 and name HB2 ) (resid 180 and name HN ) 3.41 1.61 1.61 !peak 651 #SUP 0.70 #QF 0.70 assign (resid 180 and name HN ) (resid 180 and name HB2 ) 2.70 0.90 0.90 !peak 653 #SUP 0.85 #QF 0.85 assign (resid 179 and name HB1 ) (resid 180 and name HN ) 2.84 1.04 1.04 !peak 655 #SUP 0.96 #QF 0.58 assign (resid 180 and name HN ) (resid 180 and name HG ) 3.02 1.22 1.22 !peak 655 #SUP 0.96 #QF 0.58 assign (resid 180 and name HN ) (resid 180 and name HB1 ) 2.99 1.19 1.19 !peak 656 #SUP 0.83 #QF 0.83 assign (resid 180 and name HN ) (resid 180 and name HD1* ) 3.18 1.38 1.38 !peak 657 #SUP 0.99 #QF 0.99 assign (resid 178 and name HG1* ) (resid 180 and name HN ) 3.46 1.66 1.66 !peak 658 #SUP 0.79 #QF 0.37 assign (resid 140 and name HA ) (resid 141 and name HN ) 2.65 0.85 0.85 !peak 661 #SUP 0.62 #QF 0.62 assign (resid 141 and name HN ) (resid 141 and name HB* ) 2.93 1.13 1.14 !peak 664 #SUP 0.67 #QF 0.67 assign (resid 177 and name HN ) (resid 178 and name HN ) 3.45 1.65 1.65 !peak 666 #SUP 0.82 #QF 0.82 assign (resid 157 and name HN ) (resid 178 and name HN ) 3.64 1.84 1.84 !peak 668 #SUP 0.97 #QF 0.92 assign (resid 178 and name HN ) (resid 179 and name HN ) 3.87 2.07 2.07 !peak 668 #SUP 0.97 #QF 0.92 assign (resid 158 and name HA ) (resid 178 and name HN ) 3.15 1.35 1.36 !peak 669 #SUP 0.96 #QF 0.96 assign (resid 177 and name HA ) (resid 178 and name HN ) 2.51 0.71 0.71 !peak 670 #SUP 0.93 #QF 0.93 assign (resid 157 and name HB2 ) (resid 178 and name HN ) 3.33 1.53 1.53 !peak 672 #SUP 0.40 #QF 0.40 assign (resid 178 and name HN ) (resid 178 and name HB ) 2.61 0.81 0.80 !peak 673 #SUP 0.95 #QF 0.95 assign (resid 158 and name HB ) (resid 178 and name HN ) 3.65 1.85 1.85 !peak 674 #SUP 0.92 #QF 0.24 assign (resid 177 and name HB ) (resid 178 and name HN ) 3.74 1.94 1.94 !peak 674 #SUP 0.92 #QF 0.24 assign (resid 178 and name HN ) (resid 178 and name HG2* ) 2.54 0.74 0.74 !peak 675 #SUP 0.94 #QF 0.94 assign (resid 178 and name HN ) (resid 178 and name HG1* ) 3.05 1.25 1.25 !peak 676 #SUP 0.88 #QF 0.88 assign (resid 121 and name HN ) (resid 175 and name HN ) 3.39 1.59 1.59 !peak 677 #SUP 0.82 #QF 0.82 assign (resid 119 and name HN ) (resid 175 and name HN ) 3.28 1.48 1.48 !peak 680 #SUP 0.70 #QF 0.70 assign (resid 120 and name HA ) (resid 175 and name HN ) 2.97 1.17 1.17 !peak 681 #SUP 0.97 #QF 0.97 assign (resid 174 and name HA ) (resid 175 and name HN ) 2.69 0.89 0.89 !peak 682 #SUP 0.82 #QF 0.82 assign (resid 175 and name HN ) (resid 175 and name HB2 ) 2.76 0.96 0.96 !peak 683 #SUP 0.89 #QF 0.89 assign (resid 175 and name HN ) (resid 175 and name HG ) 2.82 1.02 1.02 !peak 684 #SUP 0.83 #QF 0.83 assign (resid 175 and name HN ) (resid 175 and name HB1 ) 2.91 1.11 1.11 !peak 685 #SUP 0.98 #QF 0.98 assign (resid 174 and name HD1* ) (resid 175 and name HN ) 2.76 0.96 0.96 !peak 686 #SUP 0.78 #QF 0.78 assign (resid 159 and name HN ) (resid 178 and name HN ) 3.47 1.67 1.67 !peak 687 #SUP 0.43 #QF 0.43 assign (resid 159 and name HN ) (resid 176 and name HN ) 2.98 1.18 1.18 !peak 688 #SUP 0.99 #QF 0.99 assign (resid 158 and name HA ) (resid 159 and name HN ) 2.53 0.73 0.73 !peak 691 #SUP 0.97 #QF 0.97 assign (resid 159 and name HN ) (resid 177 and name HA ) 3.19 1.39 1.39 !peak 692 #SUP 0.80 #QF 0.80 assign (resid 159 and name HN ) (resid 176 and name HB2 ) 3.03 1.23 1.23 !peak 694 #SUP 0.71 #QF 0.71 assign (resid 159 and name HN ) (resid 159 and name HB ) 2.74 0.94 0.94 !peak 695 #SUP 0.97 #QF 0.97 assign (resid 159 and name HN ) (resid 176 and name HB1 ) 3.28 1.48 1.48 !peak 697 #SUP 0.88 #QF 0.88 assign (resid 158 and name HG2* ) (resid 159 and name HN ) 3.13 1.33 1.33 !peak 698 #SUP 0.79 #QF 0.79 assign (resid 158 and name HG1* ) (resid 159 and name HN ) 3.13 1.33 1.33 !peak 699 #SUP 0.91 #QF 0.70 assign (resid 159 and name HN ) (resid 159 and name HD1* ) 2.75 0.95 0.95 !peak 699 #SUP 0.91 #QF 0.70 assign (resid 160 and name HN ) (resid 161 and name HN ) 3.40 1.60 1.60 !peak 701 #SUP 0.76 #QF 0.76 assign (resid 160 and name HA ) (resid 161 and name HN ) 2.63 0.83 0.83 !peak 703 #SUP 0.81 #QF 0.81 assign (resid 161 and name HN ) (resid 161 and name HB ) 2.76 0.96 0.96 !peak 705 #SUP 0.73 #QF 0.73 assign (resid 161 and name HN ) (resid 174 and name HB1 ) 2.95 1.15 1.15 !peak 706 #SUP 0.58 #QF 0.58 assign (resid 160 and name HG2 ) (resid 161 and name HN ) 3.05 1.25 1.25 !peak 708 #SUP 0.89 #QF 0.89 assign (resid 160 and name HG1 ) (resid 161 and name HN ) 3.05 1.25 1.25 !peak 710 #SUP 0.73 #QF 0.73 assign (resid 161 and name HN ) (resid 161 and name HG2* ) 2.57 0.77 0.77 !peak 711 #SUP 0.84 #QF 0.84 assign (resid 124 and name HA ) (resid 125 and name HN ) 2.57 0.77 0.77 !peak 715 #SUP 0.78 #QF 0.78 assign (resid 125 and name HN ) (resid 180 and name HA ) 3.09 1.29 1.29 !peak 716 #SUP 0.77 #QF 0.77 assign (resid 123 and name HN ) (resid 178 and name HA ) 3.11 1.31 1.31 !peak 719 #SUP 0.94 #QF 0.94 assign (resid 123 and name HN ) (resid 123 and name HB1 ) 2.82 1.02 1.02 !peak 726 #SUP 0.95 #QF 0.95 assign (resid 125 and name HN ) (resid 181 and name HG ) 2.96 1.16 1.16 !peak 727 #SUP 0.36 #QF 0.36 assign (resid 123 and name HN ) (resid 123 and name HB2 ) 2.93 1.13 1.14 !peak 729 #SUP 0.87 #QF 0.87 assign (resid 97 and name HD2* ) (resid 123 and name HN ) 3.64 1.84 1.84 !peak 730 #SUP 0.75 #QF 0.46 assign (resid 123 and name HN ) (resid 178 and name HG2* ) 3.82 2.02 2.02 !peak 730 #SUP 0.75 #QF 0.46 assign (resid 123 and name HN ) (resid 176 and name HD2* ) 3.15 1.35 1.35 !peak 732 #SUP 0.80 #QF 0.80 assign (resid 125 and name HN ) (resid 125 and name HD1* ) 3.15 1.35 1.35 !peak 733 #SUP 0.65 #QF 0.65 assign (resid 125 and name HN ) (resid 178 and name HG1* ) 2.87 1.07 1.07 !peak 734 #SUP 0.56 #QF 0.56 assign (resid 161 and name HN ) (resid 175 and name HD2* ) 3.26 1.46 1.46 !peak 739 #SUP 0.66 #QF 0.66 assign (resid 156 and name HN ) (resid 178 and name HN ) 3.51 1.71 1.71 !peak 741 #SUP 0.89 #QF 0.89 assign (resid 178 and name HB ) (resid 179 and name HN ) 3.46 1.66 1.66 !peak 743 #SUP 0.97 #QF 0.97 assign (resid 125 and name HB2 ) (resid 179 and name HN ) 3.44 1.64 1.64 !peak 744 #SUP 0.97 #QF 0.61 assign (resid 160 and name HN ) (resid 176 and name HB2 ) 4.17 2.37 2.37 !peak 745 #SUP 0.75 #QF 0.75 assign (resid 159 and name HN ) (resid 160 and name HN ) 3.51 1.71 1.71 !peak 748 #SUP 1.00 assign (resid 121 and name HN ) (resid 122 and name HN ) 3.60 1.80 1.80 !peak 751 #SUP 0.84 #QF 0.84 assign (resid 181 and name HN ) (resid 182 and name HD1 ) 3.72 1.92 1.92 !peak 752 #SUP 0.49 #QF 0.49 assign (resid 125 and name HN ) (resid 181 and name HN ) 3.35 1.55 1.55 !peak 755 #SUP 0.46 #QF 0.46 assign (resid 148 and name HN ) (resid 148 and name HG2 ) 3.33 1.53 1.53 !peak 757 #SUP 0.89 #QF 0.89 assign (resid 135 and name HA ) (resid 148 and name HN ) 3.72 1.92 1.92 !peak 758 #SUP 0.55 #QF 0.55 assign (resid 95 and name HN ) (resid 101 and name HD2 ) 3.80 2.00 2.00 !peak 762 #SUP 1.00 assign (resid 180 and name HN ) (resid 181 and name HN ) 3.47 1.67 1.67 !peak 767 #SUP 0.77 #QF 0.77 assign (resid 179 and name HN ) (resid 180 and name HN ) 3.71 1.91 1.91 !peak 768 #SUP 0.46 #QF 0.46 assign (resid 140 and name HN ) (resid 145 and name HN ) 3.61 1.81 1.81 !peak 775 #SUP 0.89 #QF 0.89 assign (resid 102 and name HB ) (resid 118 and name HN ) 3.24 1.44 1.44 !peak 776 #SUP 0.83 #QF 0.83 assign (resid 118 and name HN ) (resid 119 and name HG ) 3.74 1.94 1.94 !peak 778 #SUP 0.98 #QF 0.98 assign (resid 137 and name HG1* ) (resid 138 and name HN ) 3.19 1.39 1.39 !peak 785 #SUP 0.75 #QF 0.75 assign (resid 119 and name HD2* ) (resid 120 and name HN ) 3.35 1.55 1.55 !peak 787 #SUP 0.99 #QF 0.99 assign (resid 120 and name HA ) (resid 177 and name HN ) 3.75 1.95 1.95 !peak 791 #SUP 0.70 #QF 0.70 assign (resid 137 and name HN ) (resid 138 and name HN ) 3.39 1.59 1.59 !peak 792 #SUP 0.87 #QF 0.87 assign (resid 97 and name HD2* ) (resid 98 and name HN ) 3.53 1.73 1.73 !peak 796 #SUP 0.99 #QF 0.91 assign (resid 98 and name HN ) (resid 98 and name HB1 ) 2.86 1.06 1.06 !peak 797 #SUP 0.88 #QF 0.88 assign (resid 157 and name HN ) (resid 158 and name HN ) 3.48 1.68 1.68 !peak 801 #SUP 0.75 #QF 0.75 assign (resid 158 and name HN ) (resid 159 and name HN ) 3.45 1.65 1.65 !peak 802 #SUP 0.99 #QF 0.99 assign (resid 157 and name HA ) (resid 158 and name HN ) 2.40 0.60 0.60 !peak 804 #SUP 0.88 #QF 0.88 assign (resid 157 and name HB1 ) (resid 158 and name HN ) 2.85 1.05 1.05 !peak 805 #SUP 0.95 #QF 0.95 assign (resid 158 and name HN ) (resid 158 and name HB ) 2.73 0.93 0.93 !peak 806 #SUP 0.97 #QF 0.97 assign (resid 158 and name HN ) (resid 158 and name HG2* ) 3.05 1.25 1.24 !peak 807 #SUP 0.98 #QF 0.98 assign (resid 158 and name HN ) (resid 158 and name HG1* ) 3.05 1.25 1.24 !peak 809 #SUP 0.91 #QF 0.91 assign (resid 102 and name HN ) (resid 119 and name HD2* ) 3.22 1.42 1.42 !peak 811 #SUP 0.43 #QF 0.43 assign (resid 100 and name HG2* ) (resid 102 and name HN ) 3.67 1.87 1.87 !peak 813 #SUP 0.57 #QF 0.57 assign (resid 102 and name HN ) (resid 103 and name HG2* ) 4.84 3.04 3.04 !peak 814 #SUP 0.97 #QF 0.93 assign (resid 101 and name HB2 ) (resid 102 and name HN ) 3.34 1.54 1.54 !peak 815 #SUP 0.99 #QF 0.99 assign (resid 102 and name HN ) (resid 102 and name HB ) 2.71 0.91 0.91 !peak 816 #SUP 0.71 #QF 0.71 assign (resid 101 and name HB1 ) (resid 102 and name HN ) 3.34 1.54 1.54 !peak 817 #SUP 0.99 #QF 0.99 assign (resid 102 and name HN ) (resid 119 and name HA ) 3.76 1.96 1.96 !peak 821 #SUP 0.98 #QF 0.98 assign (resid 101 and name HA ) (resid 102 and name HN ) 2.69 0.89 0.89 !peak 822 #SUP 0.85 #QF 0.85 assign (resid 102 and name HN ) (resid 120 and name HN ) 4.33 2.53 2.53 !peak 823 #SUP 0.83 #QF 0.83 assign (resid 128 and name HN ) (resid 130 and name HN ) 3.63 1.83 1.83 !peak 825 #SUP 0.91 #QF 0.91 assign (resid 155 and name HN ) (resid 180 and name HG ) 2.96 1.16 1.16 !peak 826 #SUP 0.51 #QF 0.51 assign (resid 98 and name HD1* ) (resid 99 and name HN ) 3.68 1.88 1.88 !peak 829 #SUP 0.66 #QF 0.39 assign (resid 154 and name HA ) (resid 157 and name HN ) 3.89 2.09 2.09 !peak 834 #SUP 0.90 #QF 0.90 assign (resid 154 and name HB1 ) (resid 157 and name HN ) 3.53 1.73 1.73 !peak 836 #SUP 0.66 #QF 0.66 assign (resid 173 and name HN ) (resid 174 and name HN ) 3.63 1.83 1.83 !peak 840 #SUP 0.73 #QF 0.73 assign (resid 163 and name HN ) (resid 173 and name HN ) 3.83 2.03 2.03 !peak 842 #SUP 0.90 #QF 0.90 assign (resid 156 and name HN ) (resid 177 and name HA ) 3.95 2.15 2.15 !peak 845 #SUP 0.84 #QF 0.84 assign (resid 154 and name HN ) (resid 155 and name HN ) 3.55 1.75 1.75 !peak 849 #SUP 0.96 #QF 0.96 assign (resid 131 and name HD1 ) (resid 132 and name HN ) 4.10 2.30 2.30 !peak 852 #SUP 0.47 #QF 0.47 assign (resid 126 and name HN ) (resid 129 and name HA ) 3.85 2.05 2.05 !peak 855 #SUP 0.66 #QF 0.66 assign (resid 131 and name HN ) (resid 131 and name HD1 ) 3.51 1.71 1.71 !peak 874 #SUP 0.95 #QF 0.95 assign (resid 119 and name HD1* ) (resid 120 and name HN ) 3.91 2.11 2.11 !peak 878 #SUP 0.86 #QF 0.86 assign (resid 153 and name HG2* ) (resid 154 and name HN ) 2.99 1.19 1.19 !peak 879 #SUP 0.91 #QF 0.91 assign (resid 153 and name HG1* ) (resid 154 and name HN ) 2.90 1.10 1.10 !peak 880 #SUP 0.94 #QF 0.94 assign (resid 94 and name HA ) (resid 94 and name HG* ) 2.94 1.14 1.14 !peak 1391 assign (resid 94 and name HB* ) (resid 95 and name HN ) 3.11 1.31 1.31 !peak 578 assign (resid 94 and name HB* ) (resid 95 and name HB* ) 3.17 1.37 1.37 !peak 969 assign (resid 94 and name HB* ) (resid 95 and name HD* ) 2.98 1.18 1.18 !peak 351 assign (resid 94 and name HG* ) (resid 95 and name HN ) 3.23 1.43 1.43 !peak 760 assign (resid 95 and name HN ) (resid 95 and name HB* ) 2.61 0.81 0.81 !peak 579 assign (resid 95 and name HN ) (resid 95 and name HD* ) 2.96 1.16 1.16 !peak 580 assign (resid 95 and name HN ) (resid 101 and name HG* ) 3.12 1.32 1.32 !peak 872 assign (resid 95 and name HN ) (resid 101 and name HD* ) 3.33 1.53 1.53 !peak 762 assign (resid 95 and name HA ) (resid 95 and name HD* ) 2.96 1.16 1.16 !peak 347 assign (resid 95 and name HA ) (resid 101 and name HG* ) 3.58 1.78 1.78 !peak 582 assign (resid 95 and name HA ) (resid 101 and name HD* ) 2.59 0.79 0.79 !peak 1291 assign (resid 95 and name HB* ) (resid 95 and name HD* ) 2.44 0.64 0.64 !peak 352 assign (resid 95 and name HB* ) (resid 100 and name HA ) 3.17 1.37 1.37 !peak 966 assign (resid 95 and name HB* ) (resid 101 and name HG* ) 3.48 1.68 1.68 !peak 1878 assign (resid 95 and name HB* ) (resid 101 and name HD* ) 2.74 0.94 0.94 !peak 1239 assign (resid 95 and name HD* ) (resid 100 and name HA ) 3.18 1.38 1.38 !peak 347 assign (resid 95 and name HD* ) (resid 100 and name HB ) 3.75 1.95 1.95 !peak 2315 assign (resid 95 and name HD* ) (resid 100 and name HG2* ) 3.24 1.44 1.44 !peak 5 assign (resid 95 and name HD* ) (resid 101 and name HD* ) 2.91 1.11 1.11 !peak 349 assign (resid 95 and name HD* ) (resid 121 and name HA ) 3.26 1.46 1.47 !peak 333 assign (resid 95 and name HD* ) (resid 121 and name HB* ) 2.38 0.59 0.59 !peak 335 assign (resid 96 and name HB* ) (resid 97 and name HN ) 3.03 1.23 1.23 !peak 701 assign (resid 97 and name HB1 ) (resid 138 and name HG* ) 2.87 1.07 1.07 !peak 153 assign (resid 97 and name HD1* ) (resid 123 and name HD* ) 3.15 1.35 1.35 !peak 278 assign (resid 97 and name HD1* ) (resid 124 and name HD* ) 3.39 1.59 1.59 !peak 1818 assign (resid 97 and name HD1* ) (resid 138 and name HG* ) 2.87 1.07 1.07 !peak 30 assign (resid 97 and name HD1* ) (resid 147 and name HG* ) 3.28 1.48 1.48 !peak 104 assign (resid 97 and name HD2* ) (resid 124 and name HD* ) 2.71 0.91 0.91 !peak 1226 assign (resid 97 and name HD2* ) (resid 138 and name HG* ) 3.39 1.59 1.59 !peak 91 assign (resid 98 and name HN ) (resid 98 and name HB* ) 2.57 0.77 0.77 !peak 797 assign (resid 98 and name HN ) (resid 98 and name HD* ) 3.04 1.24 1.24 !peak 323 assign (resid 98 and name HA ) (resid 98 and name HD* ) 2.58 0.78 0.78 !peak 324 assign (resid 98 and name HB* ) (resid 99 and name HN ) 3.06 1.26 1.26 !peak 334 assign (resid 98 and name HB* ) (resid 140 and name HG* ) 3.19 1.39 1.39 !peak 123 assign (resid 98 and name HG ) (resid 138 and name HG* ) 3.66 1.86 1.86 !peak 360 assign (resid 98 and name HD* ) (resid 99 and name HN ) 3.24 1.44 1.44 !peak 1786 assign (resid 98 and name HD* ) (resid 138 and name HG* ) 3.23 1.43 1.43 !peak 89 assign (resid 98 and name HD* ) (resid 140 and name HG* ) 3.15 1.35 1.35 !peak 125 assign (resid 98 and name HD* ) (resid 147 and name HB ) 3.19 1.39 1.39 !peak 344 assign (resid 98 and name HD* ) (resid 147 and name HG* ) 3.13 1.33 1.33 !peak 105 assign (resid 98 and name HD* ) (resid 174 and name HD1* ) 2.57 0.77 0.77 !peak 296 assign (resid 98 and name HD* ) (resid 174 and name HD2* ) 3.01 1.21 1.21 !peak 436 assign (resid 98 and name HD* ) (resid 176 and name HD1* ) 2.99 1.19 1.19 !peak 442 assign (resid 98 and name HD* ) (resid 176 and name HD2* ) 2.36 0.56 0.56 !peak 494 assign (resid 99 and name HN ) (resid 99 and name HB* ) 2.81 1.01 1.01 !peak 333 assign (resid 99 and name HB* ) (resid 99 and name HD1 ) 2.67 0.87 0.87 !peak 2311 assign (resid 99 and name HB* ) (resid 119 and name HD2* ) 3.64 1.84 1.84 !peak 264 assign (resid 99 and name HB* ) (resid 140 and name HG* ) 3.37 1.57 1.57 !peak 120 assign (resid 99 and name HD1 ) (resid 119 and name HB* ) 3.76 1.96 1.96 !peak 2037 assign (resid 99 and name HD1 ) (resid 140 and name HG* ) 3.75 1.95 1.95 !peak 1735 assign (resid 100 and name HA ) (resid 101 and name HG* ) 3.17 1.37 1.37 !peak 564 assign (resid 100 and name HA ) (resid 101 and name HD* ) 2.47 0.67 0.67 !peak 1228 assign (resid 100 and name HG2* ) (resid 101 and name HB* ) 3.72 1.92 1.92 !peak 1947 assign (resid 100 and name HG2* ) (resid 101 and name HG* ) 3.40 1.60 1.60 !peak 140 assign (resid 100 and name HG2* ) (resid 102 and name HG* ) 2.22 0.42 0.42 !peak 141 assign (resid 101 and name HA ) (resid 102 and name HG* ) 3.26 1.46 1.46 !peak 186 assign (resid 101 and name HB* ) (resid 102 and name HN ) 2.99 1.19 1.19 !peak 815 assign (resid 101 and name HB* ) (resid 102 and name HG* ) 3.63 1.83 1.83 !peak 1751 assign (resid 102 and name HN ) (resid 102 and name HG* ) 2.59 0.79 0.79 !peak 810 assign (resid 102 and name HA ) (resid 102 and name HG* ) 2.55 0.75 0.75 !peak 1581 assign (resid 102 and name HB ) (resid 118 and name HB* ) 3.53 1.73 1.73 !peak 719 assign (resid 102 and name HG* ) (resid 103 and name HN ) 3.35 1.55 1.55 !peak 317 assign (resid 102 and name HG* ) (resid 118 and name HN ) 3.28 1.48 1.48 !peak 509 assign (resid 102 and name HG* ) (resid 118 and name HB* ) 3.21 1.41 1.41 !peak 194 assign (resid 102 and name HG* ) (resid 119 and name HA ) 3.07 1.27 1.27 !peak 184 assign (resid 102 and name HG* ) (resid 119 and name HD2* ) 3.93 2.13 2.12 !peak 175 assign (resid 102 and name HG* ) (resid 120 and name HN ) 3.18 1.38 1.38 !peak 182 assign (resid 102 and name HG* ) (resid 120 and name HA ) 3.90 2.10 2.10 !peak 1749 assign (resid 102 and name HG* ) (resid 120 and name HB2 ) 3.30 1.50 1.50 !peak 192 assign (resid 102 and name HG* ) (resid 120 and name HB1 ) 3.01 1.21 1.21 !peak 193 assign (resid 102 and name HG* ) (resid 120 and name HD* ) 3.50 1.70 1.70 !peak 189 assign (resid 102 and name HG* ) (resid 175 and name HD1* ) 3.68 1.88 1.88 !peak 125 assign (resid 104 and name HN ) (resid 104 and name HG* ) 3.46 1.66 1.66 !peak 772 assign (resid 104 and name HA ) (resid 104 and name HD* ) 3.41 1.61 1.61 !peak 1892 assign (resid 104 and name HG* ) (resid 104 and name HD* ) 2.18 0.38 0.38 !peak 616 assign (resid 115 and name HN ) (resid 115 and name HB* ) 2.89 1.09 1.09 !peak 297 assign (resid 115 and name HB* ) (resid 116 and name HN ) 2.73 0.93 0.93 !peak 161 assign (resid 116 and name HA* ) (resid 117 and name HN ) 2.43 0.63 0.63 !peak 322 assign (resid 116 and name HA* ) (resid 117 and name HA ) 3.41 1.61 1.61 !peak 2176 assign (resid 116 and name HA* ) (resid 117 and name HG* ) 3.06 1.26 1.26 !peak 508 assign (resid 116 and name HA* ) (resid 171 and name HA ) 3.43 1.63 1.63 !peak 1562 assign (resid 116 and name HA* ) (resid 172 and name HN ) 3.24 1.44 1.44 !peak 1118 assign (resid 117 and name HN ) (resid 117 and name HB* ) 2.75 0.95 0.95 !peak 326 assign (resid 117 and name HN ) (resid 117 and name HG* ) 2.48 0.68 0.68 !peak 327 assign (resid 117 and name HN ) (resid 117 and name HD* ) 3.27 1.47 1.47 !peak 325 assign (resid 117 and name HA ) (resid 117 and name HG* ) 2.76 0.96 0.96 !peak 507 assign (resid 117 and name HA ) (resid 117 and name HD* ) 3.16 1.36 1.36 !peak 1409 assign (resid 117 and name HA ) (resid 118 and name HB* ) 3.55 1.75 1.75 !peak 2177 assign (resid 117 and name HA ) (resid 172 and name HA* ) 3.78 1.98 1.98 !peak 2098 assign (resid 117 and name HB* ) (resid 117 and name HG* ) 2.19 0.39 0.39 !peak 510 assign (resid 117 and name HB* ) (resid 117 and name HD* ) 2.64 0.84 0.84 !peak 664 assign (resid 117 and name HB* ) (resid 118 and name HN ) 2.79 0.99 0.99 !peak 508 assign (resid 117 and name HB* ) (resid 166 and name HA2 ) 3.40 1.60 1.60 !peak 1909 assign (resid 117 and name HG* ) (resid 166 and name HN ) 3.43 1.63 1.63 !peak 151 assign (resid 117 and name HG* ) (resid 166 and name HA1 ) 3.42 1.62 1.62 !peak 2076 assign (resid 117 and name HG* ) (resid 172 and name HN ) 3.62 1.82 1.82 !peak 505 assign (resid 117 and name HG* ) (resid 173 and name HN ) 4.21 2.41 2.41 !peak 839 assign (resid 117 and name HD* ) (resid 118 and name HN ) 3.47 1.67 1.67 !peak 779 assign (resid 118 and name HN ) (resid 118 and name HB* ) 2.62 0.82 0.82 !peak 505 assign (resid 118 and name HN ) (resid 172 and name HA* ) 3.70 1.90 1.90 !peak 503 assign (resid 118 and name HA ) (resid 172 and name HA* ) 3.07 1.27 1.27 !peak 1057 assign (resid 118 and name HB* ) (resid 119 and name HN ) 3.01 1.21 1.21 !peak 378 assign (resid 118 and name HB* ) (resid 175 and name HG ) 3.58 1.78 1.78 !peak 1860 assign (resid 118 and name HB* ) (resid 175 and name HD1* ) 2.81 1.01 1.01 !peak 361 assign (resid 119 and name HN ) (resid 119 and name HB* ) 2.69 0.89 0.89 !peak 379 assign (resid 119 and name HN ) (resid 165 and name HA* ) 3.23 1.43 1.43 !peak 375 assign (resid 119 and name HB* ) (resid 119 and name HD1* ) 2.60 0.80 0.80 !peak 381 assign (resid 119 and name HB* ) (resid 120 and name HN ) 3.05 1.25 1.25 !peak 496 assign (resid 119 and name HB* ) (resid 165 and name HA* ) 3.29 1.49 1.49 !peak 1062 assign (resid 119 and name HB* ) (resid 174 and name HA ) 3.45 1.65 1.65 !peak 1010 assign (resid 119 and name HB* ) (resid 174 and name HD1* ) 2.52 0.72 0.72 !peak 294 assign (resid 119 and name HG ) (resid 165 and name HA* ) 3.43 1.63 1.63 !peak 1062 assign (resid 119 and name HD1* ) (resid 140 and name HG* ) 3.34 1.54 1.54 !peak 264 assign (resid 119 and name HD1* ) (resid 165 and name HA* ) 2.99 1.19 1.19 !peak 378 assign (resid 120 and name HN ) (resid 120 and name HD* ) 3.51 1.71 1.71 !peak 789 assign (resid 120 and name HA ) (resid 120 and name HD* ) 3.50 1.70 1.70 !peak 2087 assign (resid 120 and name HA ) (resid 177 and name HG* ) 3.65 1.85 1.85 !peak 1732 assign (resid 120 and name HB2 ) (resid 120 and name HD* ) 2.91 1.11 1.11 !peak 818 assign (resid 120 and name HB1 ) (resid 120 and name HD* ) 2.92 1.12 1.12 !peak 831 assign (resid 120 and name HG* ) (resid 158 and name HG* ) 3.34 1.54 1.54 !peak 308 assign (resid 120 and name HG* ) (resid 175 and name HB1 ) 3.09 1.29 1.29 !peak 963 assign (resid 120 and name HG* ) (resid 176 and name HA ) 3.51 1.71 1.71 !peak 1329 assign (resid 120 and name HG* ) (resid 177 and name HG* ) 2.65 0.85 0.85 !peak 102 assign (resid 120 and name HD* ) (resid 121 and name HN ) 3.75 1.95 1.95 !peak 749 assign (resid 121 and name HN ) (resid 177 and name HG* ) 3.20 1.40 1.40 !peak 97 assign (resid 121 and name HB* ) (resid 122 and name HB* ) 3.46 1.66 1.66 !peak 242 assign (resid 121 and name HB* ) (resid 138 and name HG* ) 3.71 1.91 1.91 !peak 25 assign (resid 121 and name HB* ) (resid 177 and name HG* ) 3.36 1.56 1.56 !peak 23 assign (resid 122 and name HN ) (resid 122 and name HB* ) 2.52 0.72 0.72 !peak 367 assign (resid 122 and name HN ) (resid 122 and name HG* ) 2.78 0.98 0.98 !peak 366 assign (resid 122 and name HB* ) (resid 123 and name HN ) 2.81 1.01 1.01 !peak 725 assign (resid 122 and name HB* ) (resid 179 and name HG2 ) 3.47 1.67 1.67 !peak 787 assign (resid 122 and name HB* ) (resid 179 and name HG1 ) 3.16 1.36 1.36 !peak 474 assign (resid 122 and name HB* ) (resid 179 and name HD* ) 3.65 1.85 1.85 !peak 2096 assign (resid 122 and name HG* ) (resid 123 and name HN ) 3.38 1.58 1.57 !peak 720 assign (resid 122 and name HG* ) (resid 177 and name HB ) 3.28 1.48 1.48 !peak 909 assign (resid 122 and name HG* ) (resid 177 and name HG* ) 3.19 1.39 1.39 !peak 1996 assign (resid 122 and name HG* ) (resid 179 and name HG2 ) 3.16 1.36 1.36 !peak 1845 assign (resid 122 and name HG* ) (resid 179 and name HG1 ) 3.36 1.56 1.56 !peak 1847 assign (resid 122 and name HG* ) (resid 179 and name HD* ) 3.44 1.64 1.64 !peak 2094 assign (resid 123 and name HN ) (resid 123 and name HD* ) 3.13 1.33 1.33 !peak 443 assign (resid 123 and name HN ) (resid 124 and name HD* ) 3.60 1.80 1.80 !peak 771 assign (resid 123 and name HD* ) (resid 124 and name HD* ) 2.73 0.93 0.93 !peak 446 assign (resid 123 and name HD* ) (resid 125 and name HD2* ) 3.30 1.50 1.50 !peak 346 assign (resid 123 and name HD* ) (resid 136 and name HA ) 4.37 2.57 2.57 !peak 2143 assign (resid 123 and name HD* ) (resid 136 and name HB* ) 2.71 0.91 0.91 !peak 437 assign (resid 123 and name HD* ) (resid 136 and name HG2 ) 2.45 0.65 0.65 !peak 450 assign (resid 123 and name HD* ) (resid 138 and name HG* ) 3.02 1.22 1.22 !peak 90 assign (resid 123 and name HD* ) (resid 147 and name HB ) 3.38 1.58 1.58 !peak 435 assign (resid 123 and name HD* ) (resid 147 and name HG* ) 3.03 1.23 1.23 !peak 114 assign (resid 123 and name HD* ) (resid 149 and name HA ) 3.70 1.90 1.90 !peak 1830 assign (resid 123 and name HD* ) (resid 149 and name HG2* ) 3.43 1.63 1.63 !peak 342 assign (resid 123 and name HD* ) (resid 149 and name HG11 ) 3.90 2.10 2.10 !peak 322 assign (resid 123 and name HD* ) (resid 149 and name HD1* ) 2.91 1.11 1.11 !peak 375 assign (resid 123 and name HD* ) (resid 159 and name HD1* ) 3.29 1.49 1.49 !peak 343 assign (resid 123 and name HD* ) (resid 176 and name HA ) 3.69 1.89 1.89 !peak 1829 assign (resid 123 and name HD* ) (resid 176 and name HB2 ) 3.69 1.89 1.89 !peak 435 assign (resid 123 and name HD* ) (resid 176 and name HB1 ) 3.61 1.81 1.81 !peak 451 assign (resid 123 and name HD* ) (resid 176 and name HD2* ) 2.75 0.95 0.95 !peak 248 assign (resid 123 and name HD* ) (resid 178 and name HA ) 3.42 1.62 1.62 !peak 434 assign (resid 123 and name HD* ) (resid 178 and name HG2* ) 3.09 1.29 1.29 !peak 180 assign (resid 124 and name HB* ) (resid 125 and name HN ) 3.07 1.27 1.27 !peak 789 assign (resid 124 and name HB* ) (resid 179 and name HB2 ) 3.39 1.59 1.59 !peak 1944 assign (resid 124 and name HB* ) (resid 181 and name HB2 ) 3.99 2.19 2.19 !peak 2017 assign (resid 124 and name HB* ) (resid 181 and name HD1* ) 2.65 0.85 0.85 !peak 397 assign (resid 124 and name HB* ) (resid 181 and name HD2* ) 2.57 0.77 0.77 !peak 252 assign (resid 125 and name HD2* ) (resid 129 and name HG* ) 3.75 1.95 1.95 !peak 1992 assign (resid 126 and name HN ) (resid 129 and name HG* ) 3.04 1.24 1.24 !peak 170 assign (resid 127 and name HN ) (resid 127 and name HB* ) 2.76 0.96 0.96 !peak 435 assign (resid 127 and name HB* ) (resid 127 and name HD1* ) 2.73 0.93 0.93 !peak 363 assign (resid 127 and name HB* ) (resid 128 and name HN ) 2.71 0.91 0.91 !peak 406 assign (resid 128 and name HN ) (resid 128 and name HB* ) 2.62 0.82 0.82 !peak 405 assign (resid 128 and name HN ) (resid 128 and name HG* ) 2.95 1.15 1.15 !peak 404 assign (resid 128 and name HA ) (resid 128 and name HG* ) 2.91 1.11 1.11 !peak 1549 assign (resid 129 and name HN ) (resid 129 and name HG* ) 2.73 0.93 0.93 !peak 252 assign (resid 129 and name HA ) (resid 129 and name HG* ) 2.87 1.07 1.07 !peak 1450 assign (resid 132 and name HA ) (resid 151 and name HB* ) 3.63 1.83 1.83 !peak 2188 assign (resid 133 and name HA* ) (resid 149 and name HN ) 3.74 1.94 1.94 !peak 598 assign (resid 133 and name HA* ) (resid 149 and name HB ) 3.27 1.47 1.47 !peak 921 assign (resid 133 and name HA* ) (resid 149 and name HD1* ) 3.12 1.32 1.32 !peak 6 assign (resid 134 and name HA2 ) (resid 148 and name HD* ) 3.91 2.11 2.11 !peak 2057 assign (resid 135 and name HA ) (resid 147 and name HG* ) 3.39 1.59 1.59 !peak 1744 assign (resid 135 and name HB1 ) (resid 146 and name HB* ) 3.63 1.83 1.83 !peak 2242 assign (resid 135 and name HG2 ) (resid 148 and name HD* ) 3.51 1.71 1.71 !peak 1980 assign (resid 135 and name HG1 ) (resid 146 and name HB* ) 3.66 1.86 1.86 !peak 2241 assign (resid 136 and name HN ) (resid 146 and name HB* ) 3.75 1.95 1.95 !peak 782 assign (resid 136 and name HN ) (resid 147 and name HG* ) 3.32 1.52 1.52 !peak 781 assign (resid 136 and name HA ) (resid 137 and name HG* ) 3.55 1.75 1.75 !peak 2141 assign (resid 136 and name HA ) (resid 147 and name HG* ) 4.52 2.72 2.72 !peak 2143 assign (resid 136 and name HB* ) (resid 137 and name HN ) 3.02 1.22 1.22 !peak 1650 assign (resid 136 and name HB* ) (resid 138 and name HN ) 4.32 2.52 2.52 !peak 784 assign (resid 136 and name HB* ) (resid 147 and name HG* ) 3.02 1.22 1.22 !peak 165 assign (resid 136 and name HG2 ) (resid 147 and name HG* ) 2.79 0.99 0.99 !peak 166 assign (resid 136 and name HG1 ) (resid 138 and name HG* ) 3.19 1.39 1.39 !peak 86 assign (resid 136 and name HG1 ) (resid 147 and name HG* ) 3.41 1.61 1.61 !peak 103 assign (resid 136 and name HD2 ) (resid 137 and name HG* ) 3.46 1.66 1.66 !peak 1752 assign (resid 136 and name HD2 ) (resid 138 and name HG* ) 3.01 1.21 1.21 !peak 148 assign (resid 137 and name HN ) (resid 137 and name HG* ) 2.52 0.72 0.72 !peak 196 assign (resid 137 and name HG* ) (resid 138 and name HN ) 2.62 0.82 0.82 !peak 458 assign (resid 137 and name HG* ) (resid 138 and name HG* ) 3.92 2.12 2.12 !peak 137 assign (resid 137 and name HG* ) (resid 144 and name HA ) 3.07 1.27 1.27 !peak 1375 assign (resid 137 and name HG* ) (resid 144 and name HB* ) 2.65 0.85 0.85 !peak 138 assign (resid 137 and name HG* ) (resid 144 and name HG* ) 2.70 0.90 0.90 !peak 139 assign (resid 137 and name HG* ) (resid 144 and name HD* ) 2.98 1.18 1.18 !peak 135 assign (resid 137 and name HG* ) (resid 146 and name HB* ) 2.96 1.16 1.16 !peak 1618 assign (resid 138 and name HN ) (resid 138 and name HG* ) 2.78 0.98 0.98 !peak 458 assign (resid 138 and name HN ) (resid 144 and name HB* ) 3.90 2.10 2.10 !peak 457 assign (resid 138 and name HA ) (resid 138 and name HG* ) 2.59 0.79 0.79 !peak 145 assign (resid 138 and name HB ) (resid 140 and name HG* ) 3.80 2.00 2.00 !peak 121 assign (resid 138 and name HG* ) (resid 139 and name HN ) 2.82 1.02 1.03 !peak 530 assign (resid 138 and name HG* ) (resid 139 and name HA ) 3.27 1.47 1.47 !peak 1668 assign (resid 138 and name HG* ) (resid 140 and name HN ) 3.20 1.40 1.40 !peak 477 assign (resid 138 and name HG* ) (resid 140 and name HA ) 3.47 1.67 1.67 !peak 1723 assign (resid 138 and name HG* ) (resid 140 and name HB ) 2.84 1.04 1.04 !peak 870 assign (resid 138 and name HG* ) (resid 140 and name HG* ) 3.19 1.39 1.39 !peak 70 assign (resid 138 and name HG* ) (resid 147 and name HG* ) 2.91 1.11 1.11 !peak 108 assign (resid 138 and name HG* ) (resid 174 and name HD2* ) 3.84 2.04 2.04 !peak 439 assign (resid 138 and name HG* ) (resid 176 and name HD1* ) 3.33 1.53 1.53 !peak 448 assign (resid 138 and name HG* ) (resid 176 and name HD2* ) 3.30 1.50 1.50 !peak 257 assign (resid 139 and name HN ) (resid 139 and name HB* ) 2.55 0.75 0.75 !peak 525 assign (resid 139 and name HA ) (resid 139 and name HG* ) 2.95 1.15 1.15 !peak 1667 assign (resid 139 and name HA ) (resid 140 and name HG* ) 3.41 1.61 1.61 !peak 1736 assign (resid 139 and name HG* ) (resid 140 and name HN ) 3.28 1.48 1.48 !peak 894 assign (resid 139 and name HG* ) (resid 142 and name HN ) 3.00 1.20 1.20 !peak 870 assign (resid 139 and name HG* ) (resid 144 and name HA ) 3.72 1.92 1.92 !peak 1371 assign (resid 140 and name HN ) (resid 140 and name HG* ) 3.11 1.31 1.31 !peak 119 assign (resid 140 and name HG* ) (resid 141 and name HN ) 3.40 1.60 1.60 !peak 1734 assign (resid 140 and name HG* ) (resid 141 and name HA ) 3.78 1.98 1.98 !peak 2118 assign (resid 140 and name HG* ) (resid 141 and name HB* ) 2.78 0.98 0.98 !peak 44 assign (resid 140 and name HG* ) (resid 143 and name HN ) 3.26 1.46 1.46 !peak 827 assign (resid 140 and name HG* ) (resid 144 and name HA ) 3.33 1.53 1.53 !peak 1737 assign (resid 140 and name HG* ) (resid 174 and name HD1* ) 3.14 1.34 1.34 !peak 196 assign (resid 140 and name HG* ) (resid 174 and name HD2* ) 3.39 1.59 1.59 !peak 65 assign (resid 141 and name HB* ) (resid 143 and name HB* ) 3.29 1.49 1.49 !peak 1699 assign (resid 143 and name HN ) (resid 143 and name HB* ) 2.60 0.80 0.80 !peak 263 assign (resid 143 and name HN ) (resid 143 and name HD* ) 3.23 1.43 1.43 !peak 262 assign (resid 143 and name HA ) (resid 143 and name HD* ) 3.21 1.41 1.41 !peak 1398 assign (resid 143 and name HA ) (resid 144 and name HB* ) 3.45 1.65 1.65 !peak 1917 assign (resid 143 and name HB* ) (resid 143 and name HD* ) 2.70 0.90 0.90 !peak 732 assign (resid 144 and name HN ) (resid 144 and name HG* ) 3.30 1.50 1.50 !peak 547 assign (resid 144 and name HA ) (resid 144 and name HG* ) 2.92 1.12 1.12 !peak 525 assign (resid 144 and name HA ) (resid 145 and name HG* ) 3.22 1.42 1.42 !peak 144 assign (resid 144 and name HB* ) (resid 144 and name HG* ) 2.18 0.38 0.38 !peak 526 assign (resid 144 and name HB* ) (resid 144 and name HD* ) 2.64 0.84 0.84 !peak 1133 assign (resid 144 and name HB* ) (resid 145 and name HN ) 3.00 1.20 1.20 !peak 643 assign (resid 144 and name HG* ) (resid 145 and name HN ) 3.09 1.29 1.29 !peak 644 assign (resid 144 and name HD* ) (resid 145 and name HN ) 3.75 1.95 1.95 !peak 642 assign (resid 145 and name HN ) (resid 145 and name HG* ) 2.71 0.91 0.91 !peak 96 assign (resid 145 and name HA ) (resid 146 and name HB* ) 3.15 1.35 1.36 !peak 1616 assign (resid 145 and name HG* ) (resid 146 and name HA ) 3.13 1.33 1.33 !peak 1475 assign (resid 146 and name HN ) (resid 146 and name HB* ) 2.46 0.66 0.66 !peak 389 assign (resid 146 and name HB* ) (resid 147 and name HN ) 2.93 1.13 1.14 !peak 633 assign (resid 146 and name HB* ) (resid 147 and name HA ) 3.38 1.58 1.58 !peak 1610 assign (resid 147 and name HA ) (resid 147 and name HG* ) 2.39 0.59 0.59 !peak 1536 assign (resid 147 and name HG* ) (resid 148 and name HN ) 2.78 0.98 0.98 !peak 560 assign (resid 147 and name HG* ) (resid 148 and name HA ) 3.28 1.48 1.48 !peak 1745 assign (resid 147 and name HG* ) (resid 149 and name HG2* ) 3.55 1.75 1.75 !peak 119 assign (resid 147 and name HG* ) (resid 149 and name HG12 ) 3.56 1.76 1.76 !peak 316 assign (resid 147 and name HG* ) (resid 149 and name HD1* ) 3.13 1.33 1.33 !peak 122 assign (resid 147 and name HG* ) (resid 159 and name HG2* ) 3.03 1.23 1.23 !peak 431 assign (resid 147 and name HG* ) (resid 159 and name HD1* ) 3.01 1.21 1.21 !peak 423 assign (resid 147 and name HG* ) (resid 174 and name HG ) 3.80 2.00 2.00 !peak 76 assign (resid 147 and name HG* ) (resid 174 and name HD1* ) 3.56 1.76 1.76 !peak 106 assign (resid 147 and name HG* ) (resid 174 and name HD2* ) 2.75 0.95 0.95 !peak 437 assign (resid 147 and name HG* ) (resid 176 and name HD2* ) 2.86 1.06 1.06 !peak 253 assign (resid 148 and name HN ) (resid 148 and name HD* ) 3.84 2.04 2.04 !peak 756 assign (resid 148 and name HA ) (resid 148 and name HD* ) 3.18 1.38 1.38 !peak 1137 assign (resid 148 and name HB2 ) (resid 148 and name HD* ) 2.86 1.06 1.06 !peak 625 assign (resid 148 and name HG1 ) (resid 148 and name HD* ) 2.35 0.55 0.55 !peak 1155 assign (resid 148 and name HD* ) (resid 149 and name HN ) 3.58 1.78 1.78 !peak 1151 assign (resid 150 and name HB* ) (resid 151 and name HD* ) 2.91 1.11 1.11 !peak 1269 assign (resid 150 and name HD* ) (resid 159 and name HD1* ) 3.27 1.47 1.47 !peak 1203 assign (resid 151 and name HB* ) (resid 152 and name HN ) 3.16 1.36 1.36 !peak 140 assign (resid 151 and name HB* ) (resid 153 and name HN ) 3.73 1.93 1.93 !peak 231 assign (resid 153 and name HA ) (resid 154 and name HD* ) 3.67 1.87 1.87 !peak 2090 assign (resid 153 and name HG2* ) (resid 159 and name HG1* ) 3.33 1.53 1.53 !peak 408 assign (resid 154 and name HN ) (resid 154 and name HD* ) 3.47 1.67 1.67 !peak 848 assign (resid 154 and name HA ) (resid 154 and name HD* ) 3.28 1.48 1.48 !peak 2145 assign (resid 154 and name HB1 ) (resid 154 and name HD* ) 2.71 0.91 0.91 !peak 1140 assign (resid 154 and name HD* ) (resid 155 and name HN ) 3.72 1.92 1.92 !peak 347 assign (resid 155 and name HN ) (resid 155 and name HG* ) 3.15 1.35 1.35 !peak 1975 assign (resid 155 and name HA ) (resid 177 and name HG* ) 4.07 2.27 2.27 !peak 1730 assign (resid 155 and name HG* ) (resid 156 and name HN ) 3.11 1.31 1.31 !peak 422 assign (resid 155 and name HG* ) (resid 180 and name HN ) 3.34 1.54 1.54 !peak 765 assign (resid 155 and name HG* ) (resid 180 and name HD1* ) 3.15 1.35 1.36 !peak 406 assign (resid 156 and name HN ) (resid 177 and name HG* ) 2.97 1.17 1.17 !peak 428 assign (resid 156 and name HN ) (resid 179 and name HD* ) 3.61 1.81 1.81 !peak 846 assign (resid 156 and name HA2 ) (resid 177 and name HG* ) 2.73 0.93 0.93 !peak 112 assign (resid 157 and name HN ) (resid 177 and name HG* ) 3.64 1.84 1.84 !peak 1729 assign (resid 157 and name HA ) (resid 158 and name HG* ) 2.99 1.19 1.19 !peak 1575 assign (resid 157 and name HB2 ) (resid 177 and name HG* ) 4.33 2.53 2.53 !peak 1730 assign (resid 158 and name HN ) (resid 158 and name HG* ) 2.53 0.73 0.73 !peak 807 assign (resid 158 and name HA ) (resid 158 and name HG* ) 2.42 0.62 0.62 !peak 131 assign (resid 158 and name HG* ) (resid 159 and name HN ) 2.55 0.75 0.75 !peak 699 assign (resid 158 and name HG* ) (resid 175 and name HA ) 3.00 1.20 1.20 !peak 132 assign (resid 158 and name HG* ) (resid 175 and name HB1 ) 2.85 1.05 1.05 !peak 140 assign (resid 158 and name HG* ) (resid 175 and name HD1* ) 2.89 1.09 1.09 !peak 240 assign (resid 158 and name HG* ) (resid 175 and name HD2* ) 2.69 0.89 0.89 !peak 203 assign (resid 158 and name HG* ) (resid 176 and name HN ) 2.81 1.01 1.01 !peak 468 assign (resid 158 and name HG* ) (resid 177 and name HA ) 2.79 0.99 0.99 !peak 218 assign (resid 158 and name HG* ) (resid 177 and name HG* ) 2.52 0.72 0.72 !peak 418 assign (resid 158 and name HG* ) (resid 178 and name HN ) 3.55 1.75 1.75 !peak 215 assign (resid 159 and name HN ) (resid 159 and name HG1* ) 3.29 1.49 1.49 !peak 1869 assign (resid 159 and name HN ) (resid 177 and name HG* ) 3.86 2.06 2.06 !peak 1731 assign (resid 159 and name HA ) (resid 159 and name HG1* ) 2.82 1.02 1.03 !peak 1544 assign (resid 159 and name HA ) (resid 160 and name HB* ) 3.64 1.84 1.84 !peak 1938 assign (resid 159 and name HG2* ) (resid 159 and name HG1* ) 2.49 0.69 0.69 !peak 54 assign (resid 159 and name HG1* ) (resid 160 and name HN ) 3.61 1.81 1.81 !peak 616 assign (resid 159 and name HG1* ) (resid 176 and name HN ) 4.50 2.70 2.70 !peak 466 assign (resid 159 and name HG1* ) (resid 176 and name HB2 ) 3.98 2.18 2.18 !peak 2031 assign (resid 160 and name HN ) (resid 160 and name HB* ) 2.57 0.77 0.77 !peak 612 assign (resid 160 and name HN ) (resid 160 and name HG* ) 3.34 1.54 1.54 !peak 615 assign (resid 160 and name HN ) (resid 160 and name HD* ) 3.72 1.92 1.92 !peak 611 assign (resid 160 and name HB* ) (resid 160 and name HD* ) 2.61 0.81 0.81 !peak 1160 assign (resid 160 and name HB* ) (resid 175 and name HD2* ) 3.12 1.32 1.32 !peak 747 assign (resid 160 and name HG* ) (resid 173 and name HB* ) 3.00 1.20 1.20 !peak 1891 assign (resid 160 and name HG* ) (resid 175 and name HD2* ) 2.96 1.16 1.16 !peak 613 assign (resid 160 and name HD* ) (resid 175 and name HD1* ) 3.19 1.39 1.39 !peak 360 assign (resid 160 and name HD* ) (resid 175 and name HD2* ) 2.79 0.99 0.99 !peak 1164 assign (resid 161 and name HG1* ) (resid 164 and name HB* ) 2.61 0.81 0.81 !peak 279 assign (resid 161 and name HG2* ) (resid 164 and name HB* ) 3.41 1.61 1.61 !peak 1727 assign (resid 162 and name HA ) (resid 163 and name HA* ) 3.20 1.40 1.40 !peak 2074 assign (resid 162 and name HA ) (resid 173 and name HB* ) 3.50 1.70 1.70 !peak 2108 assign (resid 162 and name HB2 ) (resid 163 and name HA* ) 3.08 1.28 1.28 !peak 1107 assign (resid 163 and name HN ) (resid 171 and name HB* ) 3.59 1.79 1.79 !peak 184 assign (resid 163 and name HA* ) (resid 164 and name HA ) 3.50 1.70 1.70 !peak 2068 assign (resid 163 and name HA* ) (resid 165 and name HN ) 3.40 1.60 1.60 !peak 110 assign (resid 163 and name HA* ) (resid 171 and name HA ) 3.81 2.01 2.01 !peak 2069 assign (resid 164 and name HN ) (resid 164 and name HB* ) 2.88 1.08 1.08 !peak 215 assign (resid 164 and name HB* ) (resid 164 and name HE* ) 3.31 1.51 1.51 !peak 1957 assign (resid 164 and name HB* ) (resid 174 and name HD2* ) 3.48 1.68 1.68 !peak 1832 assign (resid 165 and name HA* ) (resid 173 and name HA ) 3.75 1.95 1.95 !peak 2167 assign (resid 165 and name HA* ) (resid 174 and name HD1* ) 3.11 1.31 1.31 !peak 287 assign (resid 165 and name HA* ) (resid 174 and name HD2* ) 3.45 1.65 1.65 !peak 1834 assign (resid 166 and name HN ) (resid 172 and name HA* ) 2.74 0.94 0.94 !peak 147 assign (resid 167 and name HN ) (resid 167 and name HG* ) 2.73 0.93 0.93 !peak 360 assign (resid 167 and name HA ) (resid 167 and name HG* ) 2.79 0.99 0.99 !peak 856 assign (resid 167 and name HB2 ) (resid 167 and name HG* ) 2.34 0.54 0.54 !peak 860 assign (resid 167 and name HB1 ) (resid 168 and name HA* ) 3.36 1.56 1.56 !peak 1899 assign (resid 167 and name HG* ) (resid 168 and name HN ) 3.47 1.67 1.67 !peak 855 assign (resid 171 and name HB* ) (resid 172 and name HN ) 2.86 1.06 1.06 !peak 93 assign (resid 172 and name HA* ) (resid 173 and name HN ) 2.54 0.74 0.74 !peak 413 assign (resid 172 and name HA* ) (resid 173 and name HA ) 3.88 2.08 2.08 !peak 2167 assign (resid 173 and name HN ) (resid 173 and name HB* ) 2.71 0.91 0.91 !peak 415 assign (resid 173 and name HB* ) (resid 175 and name HD2* ) 3.34 1.54 1.54 !peak 2105 assign (resid 175 and name HD1* ) (resid 177 and name HG* ) 3.82 2.02 2.02 !peak 61 assign (resid 175 and name HD2* ) (resid 177 and name HG* ) 3.80 2.00 2.00 !peak 205 assign (resid 176 and name HA ) (resid 177 and name HG* ) 3.03 1.23 1.23 !peak 116 assign (resid 176 and name HD2* ) (resid 177 and name HG* ) 3.94 2.14 2.14 !peak 61 assign (resid 177 and name HN ) (resid 177 and name HG* ) 2.53 0.73 0.73 !peak 488 assign (resid 177 and name HA ) (resid 177 and name HG* ) 2.55 0.75 0.75 !peak 111 assign (resid 177 and name HG* ) (resid 178 and name HN ) 2.77 0.97 0.97 !peak 108 assign (resid 177 and name HG* ) (resid 178 and name HG2* ) 3.62 1.82 1.82 !peak 183 assign (resid 177 and name HG* ) (resid 179 and name HN ) 3.99 2.19 2.19 !peak 1729 assign (resid 177 and name HG* ) (resid 179 and name HG1 ) 3.64 1.84 1.84 !peak 298 assign (resid 179 and name HN ) (resid 179 and name HD* ) 3.58 1.78 1.78 !peak 586 assign (resid 179 and name HD* ) (resid 180 and name HN ) 3.12 1.32 1.32 !peak 650 assign (resid 99 and name HD* ) (resid 121 and name HB* ) 3.65 1.85 1.85 ! assign (resid 99 and name HB* ) (resid 121 and name HB* ) 3.65 1.85 1.85 ! assign (resid 99 and name HD* ) (resid 119 and name HB* ) 3.65 1.85 1.85 ! assign (resid 99 and name HB* ) (resid 140 and name HG1* ) 3.66 1.86 1.86 ! assign (resid 99 and name HD1 ) (resid 140 and name HG1* ) 3.66 1.86 1.86 ! assign (resid 98 and name HB* ) (resid 138 and name HN ) 3.65 1.85 1.85 ! assign (resid 98 and name HB* ) (resid 138 and name HB ) 3.65 1.85 1.85 ! assign (resid 98 and name HB* ) (resid 138 and name HG1* ) 3.65 1.85 1.85 ! assign (resid 98 and name HB* ) (resid 138 and name HG2* ) 3.65 1.85 1.85 ! assign (resid 98 and name HG ) (resid 138 and name HG2* ) 3.65 1.85 1.85 ! assign (resid 98 and name HD1* ) (resid 138 and name HG2* ) 3.65 1.85 1.85 ! assign (resid 98 and name HD1* ) (resid 123 and name HD1* ) 3.65 1.85 1.85 ! assign (resid 98 and name HD1* ) (resid 123 and name HD2* ) 3.65 1.85 1.85 ! assign (resid 98 and name HD1* ) (resid 147 and name HG2* ) 3.65 1.85 1.85 ! assign (resid 100 and name HG2* ) (resid 118 and name HN ) 3.65 1.85 1.85 ! assign (resid 101 and name HA ) (resid 119 and name HA ) 3.65 1.85 1.85 ! assign (resid 101 and name HB* ) (resid 119 and name HD1* ) 3.65 1.85 1.85 ! assign (resid 102 and name HG1* ) (resid 118 and name HB* ) 3.65 1.85 1.85 ! assign (resid 102 and name HG1* ) (resid 119 and name HD1* ) 3.65 1.85 1.85 ! assign (resid 102 and name HG1* ) (resid 120 and name HD* ) 3.65 1.85 1.85 ! assign (resid 97 and name CD1 ) (resid 138 and name CB ) 3.10 1.30 1.30 ! assign (resid 97 and name CD1 ) (resid 138 and name CG1 ) 3.10 1.30 1.30 ! assign (resid 97 and name CD1 ) (resid 123 and name CD2 ) 3.65 1.85 1.85 !0 assign (resid 97 and name CD1 ) (resid 176 and name CD2 ) 3.65 1.85 1.85 ! assign (resid 97 and name CD2 ) (resid 124 and name HD* ) 3.10 1.30 1.30 !
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