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 |
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17299 |
2c0s   |
7349 | cing | 1-original | 6 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 29 and name HN ) ( resid 29 and name HB2 ) 4.10 4.10 0.00 peak 3 assign ( resid 29 and name HN ) ( resid 29 and name HB1 ) 4.10 4.10 0.00 peak 4 assign ( resid 63 and name HN ) ( resid 64 and name HN ) 4.46 4.46 0.00 peak 5 assign ( resid 64 and name HN ) ( resid 64 and name HB1 ) 3.45 3.45 0.00 peak 8 assign ( resid 34 and name HN ) ( resid 34 and name HB1 ) 3.85 3.85 0.00 peak 11 assign ( resid 34 and name HN ) ( resid 34 and name HB2 ) 3.85 3.85 0.00 peak 15 assign ( resid 56 and name HB2 ) ( resid 57 and name HN ) 4.77 4.77 0.00 peak 27 assign ( resid 56 and name HB1 ) ( resid 57 and name HN ) 4.77 4.77 0.00 peak 27 assign ( resid 57 and name HN ) ( resid 57 and name HB2 ) 3.68 3.68 0.00 peak 28 assign ( resid 27 and name HG2+ ) ( resid 28 and name HN ) 4.46 4.46 0.00 peak 30 assign ( resid 27 and name HN ) ( resid 28 and name HN ) 3.52 3.52 0.00 peak 32 assign ( resid 28 and name HN ) ( resid 28 and name HB2 ) 3.69 3.69 0.00 peak 34 assign ( resid 28 and name HN ) ( resid 28 and name HB1 ) 3.69 3.69 0.00 peak 35 assign ( resid 28 and name HN ) ( resid 31 and name HB ) 5.05 5.05 0.00 peak 36 assign ( resid 27 and name HB ) ( resid 28 and name HN ) 4.49 4.49 0.00 peak 37 assign ( resid 2 and name HA ) ( resid 3 and name HN ) 3.20 3.20 0.00 peak 41 assign ( resid 3 and name HN ) ( resid 3 and name HB ) 3.80 3.80 0.00 peak 45 assign ( resid 3 and name HN ) ( resid 3 and name HG1+ ) 3.33 3.33 0.00 peak 46 assign ( resid 44 and name HN ) ( resid 44 and name HD1+ ) 3.94 3.94 0.00 peak 48 assign ( resid 43 and name HB1 ) ( resid 44 and name HN ) 4.15 4.15 0.00 peak 51 assign ( resid 41 and name HA ) ( resid 44 and name HN ) 4.15 4.15 0.00 peak 52 assign ( resid 44 and name HN ) ( resid 44 and name HB2 ) 3.56 3.56 0.00 peak 53 assign ( resid 51 and name HN ) ( resid 51 and name HD2 ) 5.50 5.50 0.00 peak 58 assign ( resid 51 and name HN ) ( resid 51 and name HD1 ) 5.50 5.50 0.00 peak 58 assign ( resid 50 and name HG2+ ) ( resid 51 and name HN ) 4.00 4.00 0.00 peak 62 assign ( resid 51 and name HN ) ( resid 51 and name HG2 ) 4.62 4.62 0.00 peak 64 assign ( resid 51 and name HN ) ( resid 51 and name HG1 ) 4.62 4.62 0.00 peak 64 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 3.92 3.92 0.00 peak 70 assign ( resid 8 and name HB1 ) ( resid 9 and name HN ) 4.10 4.10 0.00 peak 72 assign ( resid 9 and name HN ) ( resid 9 and name HG2 ) 3.87 3.87 0.00 peak 73 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 4.10 4.10 0.00 peak 74 assign ( resid 9 and name HN ) ( resid 9 and name HB1 ) 3.66 3.66 0.00 peak 75 assign ( resid 9 and name HN ) ( resid 9 and name HB2 ) 3.66 3.66 0.00 peak 76 assign ( resid 9 and name HN ) ( resid 9 and name HG1 ) 3.87 3.87 0.00 peak 77 assign ( resid 9 and name HN ) ( resid 10 and name HD1+ ) 5.50 5.50 0.00 peak 78 assign ( resid 47 and name HN ) ( resid 48 and name HN ) 4.00 4.00 0.00 peak 79 assign ( resid 46 and name HB ) ( resid 47 and name HN ) 3.83 3.83 0.00 peak 81 assign ( resid 47 and name HN ) ( resid 47 and name HB2 ) 3.80 3.80 0.00 peak 83 assign ( resid 47 and name HN ) ( resid 47 and name HB1 ) 3.80 3.80 0.00 peak 83 assign ( resid 46 and name HG2+ ) ( resid 47 and name HN ) 3.78 3.78 0.00 peak 84 assign ( resid 32 and name HN ) ( resid 32 and name HG2+ ) 3.87 3.87 0.00 peak 86 assign ( resid 32 and name HN ) ( resid 32 and name HG12 ) 3.92 3.92 0.00 peak 87 assign ( resid 31 and name HB ) ( resid 32 and name HN ) 3.88 3.88 0.00 peak 91 assign ( resid 7 and name HA ) ( resid 10 and name HN ) 4.32 4.32 0.00 peak 95 assign ( resid 8 and name HA ) ( resid 10 and name HN ) 4.98 4.98 0.00 peak 95 assign ( resid 10 and name HN ) ( resid 10 and name HG2+ ) 3.79 3.79 0.00 peak 96 assign ( resid 9 and name HB1 ) ( resid 10 and name HN ) 4.23 4.23 0.00 peak 98 assign ( resid 10 and name HN ) ( resid 10 and name HB ) 4.10 4.10 0.00 peak 98 assign ( resid 9 and name HB2 ) ( resid 10 and name HN ) 4.23 4.23 0.00 peak 99 assign ( resid 10 and name HN ) ( resid 10 and name HG12 ) 4.42 4.42 0.00 peak 100 assign ( resid 52 and name HG1 ) ( resid 53 and name HN ) 4.20 4.20 0.00 peak 107 assign ( resid 53 and name HN ) ( resid 53 and name HD2 ) 5.40 5.40 0.00 peak 112 assign ( resid 53 and name HN ) ( resid 53 and name HD1 ) 5.40 5.40 0.00 peak 112 assign ( resid 4 and name HG2+ ) ( resid 6 and name HN ) 4.77 4.77 0.00 peak 115 assign ( resid 3 and name HA ) ( resid 6 and name HN ) 4.05 4.05 0.00 peak 117 assign ( resid 5 and name HB2 ) ( resid 6 and name HN ) 4.59 4.59 0.00 peak 118 assign ( resid 5 and name HB1 ) ( resid 6 and name HN ) 4.59 4.59 0.00 peak 118 assign ( resid 6 and name HN ) ( resid 6 and name HB1 ) 3.52 3.52 0.00 peak 119 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 3.78 3.78 0.00 peak 122 assign ( resid 4 and name HB ) ( resid 5 and name HN ) 4.10 4.10 0.00 peak 125 assign ( resid 5 and name HN ) ( resid 5 and name HG2 ) 4.08 4.08 0.00 peak 131 assign ( resid 5 and name HN ) ( resid 5 and name HG1 ) 4.08 4.08 0.00 peak 132 assign ( resid 15 and name HG2 ) ( resid 16 and name HN ) 5.01 5.01 0.00 peak 135 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 3.82 3.82 0.00 peak 136 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 3.68 3.68 0.00 peak 137 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 3.87 3.87 0.00 peak 139 assign ( resid 11 and name HB2 ) ( resid 12 and name HN ) 3.97 3.97 0.00 peak 141 assign ( resid 11 and name HB1 ) ( resid 12 and name HN ) 3.97 3.97 0.00 peak 141 assign ( resid 15 and name HB2 ) ( resid 16 and name HN ) 4.45 4.45 0.00 peak 142 assign ( resid 15 and name HB1 ) ( resid 16 and name HN ) 4.45 4.45 0.00 peak 142 assign ( resid 15 and name HG1 ) ( resid 16 and name HN ) 5.01 5.01 0.00 peak 143 assign ( resid 12 and name HN ) ( resid 12 and name HB+ ) 2.98 2.98 0.00 peak 144 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.74 3.74 0.00 peak 145 assign ( resid 13 and name HA ) ( resid 16 and name HN ) 3.95 3.95 0.00 peak 146 assign ( resid 16 and name HN ) ( resid 16 and name HB1 ) 3.93 3.93 0.00 peak 147 assign ( resid 11 and name HA ) ( resid 13 and name HN ) 4.46 4.46 0.00 peak 148 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 3.88 3.88 0.00 peak 149 assign ( resid 13 and name HN ) ( resid 13 and name HB1 ) 3.95 3.95 0.00 peak 151 assign ( resid 13 and name HN ) ( resid 13 and name HB2 ) 3.95 3.95 0.00 peak 152 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 4.21 4.21 0.00 peak 159 assign ( resid 53 and name HA ) ( resid 54 and name HN ) 3.57 3.57 0.00 peak 165 assign ( resid 57 and name HN ) ( resid 58 and name HN ) 3.51 3.51 0.00 peak 173 assign ( resid 58 and name HN ) ( resid 58 and name HB2 ) 2.93 2.93 0.00 peak 176 assign ( resid 58 and name HN ) ( resid 58 and name HB1 ) 3.82 3.82 0.00 peak 177 assign ( resid 58 and name HN ) ( resid 58 and name HD2+ ) 4.47 4.47 0.00 peak 178 assign ( resid 58 and name HN ) ( resid 58 and name HD1+ ) 4.47 4.47 0.00 peak 179 assign ( resid 37 and name HN ) ( resid 37 and name HB2 ) 3.88 3.88 0.00 peak 187 assign ( resid 37 and name HN ) ( resid 37 and name HB1 ) 3.88 3.88 0.00 peak 188 assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 4.09 4.09 0.00 peak 190 assign ( resid 19 and name HB1 ) ( resid 20 and name HN ) 4.14 4.14 0.00 peak 192 assign ( resid 18 and name HG2+ ) ( resid 20 and name HN ) 5.27 5.27 0.00 peak 193 assign ( resid 20 and name HN ) ( resid 20 and name HD1+ ) 4.09 4.09 0.00 peak 194 assign ( resid 20 and name HN ) ( resid 20 and name HG ) 3.73 3.73 0.00 peak 196 assign ( resid 19 and name HN ) ( resid 20 and name HN ) 3.80 3.80 0.00 peak 199 assign ( resid 55 and name HN ) ( resid 55 and name HD+ ) 3.94 3.94 0.00 peak 204 assign ( resid 54 and name HA ) ( resid 55 and name HN ) 3.33 3.33 0.00 peak 207 assign ( resid 55 and name HN ) ( resid 55 and name HB2 ) 3.67 3.67 0.00 peak 208 assign ( resid 55 and name HN ) ( resid 55 and name HB1 ) 3.67 3.67 0.00 peak 209 assign ( resid 56 and name HA ) ( resid 59 and name HN ) 4.21 4.21 0.00 peak 213 assign ( resid 59 and name HN ) ( resid 59 and name HG2 ) 3.92 3.92 0.00 peak 214 assign ( resid 58 and name HB1 ) ( resid 59 and name HN ) 4.08 4.08 0.00 peak 216 assign ( resid 52 and name HN ) ( resid 52 and name HA ) 2.90 2.90 0.00 peak 219 assign ( resid 58 and name HD2+ ) ( resid 59 and name HN ) 4.82 4.82 0.00 peak 223 assign ( resid 57 and name HN ) ( resid 59 and name HN ) 4.44 4.44 0.00 peak 225 assign ( resid 52 and name HN ) ( resid 52 and name HB1 ) 3.28 3.28 0.00 peak 226 assign ( resid 41 and name HN ) ( resid 42 and name HN ) 4.01 4.01 0.00 peak 228 assign ( resid 40 and name HB2 ) ( resid 41 and name HN ) 4.09 4.09 0.00 peak 230 assign ( resid 40 and name HN ) ( resid 41 and name HN ) 3.97 3.97 0.00 peak 232 assign ( resid 40 and name HB1 ) ( resid 41 and name HN ) 4.09 4.09 0.00 peak 235 assign ( resid 41 and name HN ) ( resid 41 and name HD1+ ) 4.35 4.35 0.00 peak 237 assign ( resid 21 and name HB ) ( resid 22 and name HN ) 3.56 3.56 0.00 peak 240 assign ( resid 21 and name HG2+ ) ( resid 22 and name HN ) 4.14 4.14 0.00 peak 241 assign ( resid 21 and name HN ) ( resid 22 and name HN ) 3.77 3.77 0.00 peak 242 assign ( resid 22 and name HN ) ( resid 22 and name HB1 ) 3.76 3.76 0.00 peak 243 assign ( resid 21 and name HG1+ ) ( resid 22 and name HN ) 4.14 4.14 0.00 peak 244 assign ( resid 22 and name HN ) ( resid 22 and name HG1 ) 3.98 3.98 0.00 peak 246 assign ( resid 44 and name HG ) ( resid 45 and name HN ) 4.82 4.82 0.00 peak 247 assign ( resid 6 and name HG ) ( resid 45 and name HN ) 4.95 4.95 0.00 peak 249 assign ( resid 45 and name HN ) ( resid 45 and name HD1+ ) 4.47 4.47 0.00 peak 250 assign ( resid 45 and name HN ) ( resid 45 and name HD2+ ) 4.47 4.47 0.00 peak 250 assign ( resid 44 and name HN ) ( resid 45 and name HN ) 3.89 3.89 0.00 peak 251 assign ( resid 18 and name HA ) ( resid 21 and name HN ) 4.19 4.19 0.00 peak 255 assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 4.10 4.10 0.00 peak 256 assign ( resid 21 and name HN ) ( resid 21 and name HB ) 3.57 3.57 0.00 peak 258 assign ( resid 21 and name HN ) ( resid 21 and name HG1+ ) 3.92 3.92 0.00 peak 259 assign ( resid 20 and name HN ) ( resid 21 and name HN ) 4.25 4.25 0.00 peak 260 assign ( resid 16 and name HG1 ) ( resid 17 and name HN ) 4.74 4.74 0.00 peak 266 assign ( resid 17 and name HN ) ( resid 17 and name HB1 ) 3.66 3.66 0.00 peak 267 assign ( resid 16 and name HG2 ) ( resid 17 and name HN ) 4.74 4.74 0.00 peak 269 assign ( resid 17 and name HN ) ( resid 17 and name HB2 ) 3.80 3.80 0.00 peak 270 assign ( resid 17 and name HN ) ( resid 17 and name HD1+ ) 4.30 4.30 0.00 peak 271 assign ( resid 17 and name HN ) ( resid 18 and name HN ) 4.15 4.15 0.00 peak 274 assign ( resid 17 and name HN ) ( resid 17 and name HD2+ ) 4.30 4.30 0.00 peak 275 assign ( resid 41 and name HB2 ) ( resid 42 and name HN ) 4.29 4.29 0.00 peak 280 assign ( resid 30 and name HN ) ( resid 31 and name HN ) 4.23 4.23 0.00 peak 287 assign ( resid 31 and name HN ) ( resid 32 and name HN ) 3.75 3.75 0.00 peak 288 assign ( resid 31 and name HN ) ( resid 31 and name HB ) 3.81 3.81 0.00 peak 290 assign ( resid 31 and name HN ) ( resid 31 and name HG2+ ) 4.24 4.24 0.00 peak 292 assign ( resid 48 and name HN ) ( resid 48 and name HB2 ) 3.98 3.98 0.00 peak 298 assign ( resid 48 and name HN ) ( resid 48 and name HB1 ) 3.98 3.98 0.00 peak 299 assign ( resid 48 and name HN ) ( resid 48 and name HD2+ ) 5.28 5.28 0.00 peak 300 assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 4.37 4.37 0.00 peak 303 assign ( resid 14 and name HN ) ( resid 14 and name HG1 ) 3.99 3.99 0.00 peak 304 assign ( resid 14 and name HN ) ( resid 38 and name HG ) 4.88 4.88 0.00 peak 306 assign ( resid 14 and name HN ) ( resid 14 and name HG2 ) 3.99 3.99 0.00 peak 307 assign ( resid 12 and name HN ) ( resid 14 and name HN ) 4.87 4.87 0.00 peak 309 assign ( resid 14 and name HN ) ( resid 16 and name HN ) 5.19 5.19 0.00 peak 309 assign ( resid 40 and name HN ) ( resid 40 and name HB2 ) 3.77 3.77 0.00 peak 317 assign ( resid 39 and name HN ) ( resid 40 and name HN ) 4.08 4.08 0.00 peak 318 assign ( resid 40 and name HN ) ( resid 40 and name HB1 ) 3.77 3.77 0.00 peak 320 assign ( resid 59 and name HA ) ( resid 60 and name HN ) 3.30 3.30 0.00 peak 322 assign ( resid 60 and name HN ) ( resid 60 and name HB1 ) 3.83 3.83 0.00 peak 323 assign ( resid 59 and name HN ) ( resid 60 and name HN ) 4.08 4.08 0.00 peak 324 assign ( resid 60 and name HN ) ( resid 60 and name HB2 ) 3.83 3.83 0.00 peak 326 assign ( resid 59 and name HB2 ) ( resid 60 and name HN ) 5.20 5.20 0.00 peak 327 assign ( resid 59 and name HB1 ) ( resid 60 and name HN ) 5.20 5.20 0.00 peak 327 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 3.80 3.80 0.00 peak 328 assign ( resid 8 and name HN ) ( resid 8 and name HB1 ) 3.73 3.73 0.00 peak 330 assign ( resid 5 and name HA ) ( resid 8 and name HN ) 3.82 3.82 0.00 peak 332 assign ( resid 7 and name HB1 ) ( resid 8 and name HN ) 4.13 4.13 0.00 peak 333 assign ( resid 19 and name HN ) ( resid 19 and name HB1 ) 3.56 3.56 0.00 peak 337 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 3.72 3.72 0.00 peak 339 assign ( resid 19 and name HN ) ( resid 19 and name HB2 ) 3.68 3.68 0.00 peak 341 assign ( resid 18 and name HB ) ( resid 19 and name HN ) 3.80 3.80 0.00 peak 342 assign ( resid 18 and name HG2+ ) ( resid 19 and name HN ) 3.84 3.84 0.00 peak 343 assign ( resid 38 and name HN ) ( resid 39 and name HN ) 3.99 3.99 0.00 peak 344 assign ( resid 36 and name HA ) ( resid 39 and name HN ) 3.99 3.99 0.00 peak 346 assign ( resid 39 and name HN ) ( resid 39 and name HB1 ) 3.76 3.76 0.00 peak 347 assign ( resid 38 and name HB1 ) ( resid 39 and name HN ) 4.16 4.16 0.00 peak 348 assign ( resid 39 and name HN ) ( resid 39 and name HB2 ) 3.76 3.76 0.00 peak 350 assign ( resid 11 and name HN ) ( resid 11 and name HG2 ) 5.13 5.13 0.00 peak 351 assign ( resid 11 and name HN ) ( resid 11 and name HG1 ) 5.13 5.13 0.00 peak 351 assign ( resid 10 and name HG2+ ) ( resid 11 and name HN ) 4.01 4.01 0.00 peak 352 assign ( resid 10 and name HN ) ( resid 11 and name HN ) 3.95 3.95 0.00 peak 353 assign ( resid 10 and name HB ) ( resid 11 and name HN ) 3.84 3.84 0.00 peak 356 assign ( resid 8 and name HN ) ( resid 11 and name HN ) 5.04 5.04 0.00 peak 357 assign ( resid 8 and name HA ) ( resid 11 and name HN ) 4.11 4.11 0.00 peak 358 assign ( resid 48 and name HN ) ( resid 49 and name HN ) 4.10 4.10 0.00 peak 359 assign ( resid 49 and name HN ) ( resid 49 and name HG1 ) 4.95 4.95 0.00 peak 361 assign ( resid 48 and name HD1+ ) ( resid 49 and name HN ) 5.50 5.50 0.00 peak 362 assign ( resid 48 and name HD2+ ) ( resid 49 and name HN ) 5.50 5.50 0.00 peak 362 assign ( resid 46 and name HN ) ( resid 47 and name HN ) 3.91 3.91 0.00 peak 370 assign ( resid 45 and name HN ) ( resid 46 and name HN ) 3.92 3.92 0.00 peak 372 assign ( resid 46 and name HN ) ( resid 46 and name HG11 ) 4.24 4.24 0.00 peak 373 assign ( resid 46 and name HN ) ( resid 46 and name HG12 ) 4.24 4.24 0.00 peak 374 assign ( resid 7 and name HN ) ( resid 9 and name HN ) 4.72 4.72 0.00 peak 375 assign ( resid 4 and name HA ) ( resid 7 and name HN ) 3.97 3.97 0.00 peak 377 assign ( resid 7 and name HN ) ( resid 10 and name HD1+ ) 4.16 4.16 0.00 peak 378 assign ( resid 7 and name HN ) ( resid 7 and name HB1 ) 3.63 3.63 0.00 peak 380 assign ( resid 6 and name HB2 ) ( resid 7 and name HN ) 4.01 4.01 0.00 peak 381 assign ( resid 7 and name HN ) ( resid 7 and name HB2 ) 3.63 3.63 0.00 peak 385 assign ( resid 6 and name HG ) ( resid 7 and name HN ) 4.99 4.99 0.00 peak 386 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 3.81 3.81 0.00 peak 388 assign ( resid 15 and name HN ) ( resid 15 and name HG2 ) 3.91 3.91 0.00 peak 392 assign ( resid 15 and name HN ) ( resid 15 and name HG1 ) 3.91 3.91 0.00 peak 395 assign ( resid 17 and name HB1 ) ( resid 18 and name HN ) 4.03 4.03 0.00 peak 398 assign ( resid 18 and name HN ) ( resid 18 and name HB ) 3.54 3.54 0.00 peak 399 assign ( resid 18 and name HN ) ( resid 18 and name HG12 ) 3.93 3.93 0.00 peak 401 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 3.80 3.80 0.00 peak 405 assign ( resid 22 and name HB2 ) ( resid 23 and name HN ) 4.14 4.14 0.00 peak 406 assign ( resid 23 and name HN ) ( resid 23 and name HG2 ) 4.21 4.21 0.00 peak 407 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.71 3.71 0.00 peak 408 assign ( resid 23 and name HN ) ( resid 23 and name HB2 ) 3.70 3.70 0.00 peak 410 assign ( resid 23 and name HN ) ( resid 23 and name HB1 ) 3.70 3.70 0.00 peak 412 assign ( resid 23 and name HN ) ( resid 23 and name HG1 ) 4.21 4.21 0.00 peak 413 assign ( resid 2 and name HA ) ( resid 4 and name HN ) 4.19 4.19 0.00 peak 415 assign ( resid 4 and name HN ) ( resid 4 and name HB ) 3.48 3.48 0.00 peak 417 assign ( resid 3 and name HN ) ( resid 4 and name HN ) 3.84 3.84 0.00 peak 418 assign ( resid 43 and name HN ) ( resid 44 and name HG ) 4.73 4.73 0.00 peak 421 assign ( resid 4 and name HN ) ( resid 4 and name HG2+ ) 3.66 3.66 0.00 peak 422 assign ( resid 3 and name HG1+ ) ( resid 4 and name HN ) 4.19 4.19 0.00 peak 423 assign ( resid 56 and name HN ) ( resid 56 and name HB2 ) 4.20 4.20 0.00 peak 430 assign ( resid 55 and name HD+ ) ( resid 56 and name HN ) 4.64 4.64 0.00 peak 431 assign ( resid 26 and name HN ) ( resid 26 and name HD+ ) 4.21 4.21 0.00 peak 432 assign ( resid 26 and name HN ) ( resid 26 and name HB2 ) 3.87 3.87 0.00 peak 438 assign ( resid 34 and name HB1 ) ( resid 35 and name HN ) 4.27 4.27 0.00 peak 442 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 4.09 4.09 0.00 peak 444 assign ( resid 35 and name HN ) ( resid 35 and name HB2 ) 3.80 3.80 0.00 peak 446 assign ( resid 35 and name HN ) ( resid 35 and name HB1 ) 3.80 3.80 0.00 peak 446 assign ( resid 21 and name HA ) ( resid 24 and name HN ) 4.23 4.23 0.00 peak 447 assign ( resid 23 and name HB1 ) ( resid 24 and name HN ) 4.24 4.24 0.00 peak 450 assign ( resid 32 and name HG2+ ) ( resid 33 and name HN ) 3.87 3.87 0.00 peak 454 assign ( resid 32 and name HB ) ( resid 33 and name HN ) 3.72 3.72 0.00 peak 460 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 3.83 3.83 0.00 peak 461 assign ( resid 50 and name HN ) ( resid 50 and name HB ) 3.84 3.84 0.00 peak 462 assign ( resid 49 and name HB2 ) ( resid 50 and name HN ) 4.51 4.51 0.00 peak 465 assign ( resid 49 and name HB1 ) ( resid 50 and name HN ) 4.51 4.51 0.00 peak 465 assign ( resid 50 and name HN ) ( resid 50 and name HG2+ ) 3.96 3.96 0.00 peak 466 assign ( resid 32 and name HG2+ ) ( resid 36 and name HE22 ) 3.97 3.97 0.00 peak 478 assign ( resid 32 and name HG2+ ) ( resid 36 and name HE21 ) 3.97 3.97 0.00 peak 480 assign ( resid 23 and name HA ) ( resid 25 and name HN ) 5.00 5.00 0.00 peak 483 assign ( resid 21 and name HA ) ( resid 25 and name HN ) 3.82 3.82 0.00 peak 484 assign ( resid 24 and name HN ) ( resid 25 and name HN ) 3.71 3.71 0.00 peak 485 assign ( resid 25 and name HN ) ( resid 26 and name HN ) 4.72 4.72 0.00 peak 486 assign ( resid 26 and name HN ) ( resid 27 and name HN ) 4.64 4.64 0.00 peak 491 assign ( resid 27 and name HN ) ( resid 27 and name HB ) 3.96 3.96 0.00 peak 494 assign ( resid 26 and name HB1 ) ( resid 27 and name HN ) 4.81 4.81 0.00 peak 496 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 4.07 4.07 0.00 peak 507 assign ( resid 38 and name HN ) ( resid 38 and name HB1 ) 3.87 3.87 0.00 peak 508 assign ( resid 37 and name HB2 ) ( resid 38 and name HN ) 4.24 4.24 0.00 peak 509 assign ( resid 38 and name HN ) ( resid 38 and name HB2 ) 3.87 3.87 0.00 peak 510 assign ( resid 38 and name HN ) ( resid 38 and name HG ) 4.80 4.80 0.00 peak 514 assign ( resid 43 and name HN ) ( resid 44 and name HB2 ) 4.85 4.85 0.00 peak 515 assign ( resid 42 and name HN ) ( resid 43 and name HN ) 3.88 3.88 0.00 peak 516 assign ( resid 43 and name HN ) ( resid 44 and name HN ) 3.71 3.71 0.00 peak 517 assign ( resid 40 and name HA ) ( resid 43 and name HN ) 4.28 4.28 0.00 peak 518 assign ( resid 43 and name HN ) ( resid 43 and name HB1 ) 3.74 3.74 0.00 peak 519 assign ( resid 43 and name HN ) ( resid 43 and name HB2 ) 3.74 3.74 0.00 peak 520 assign ( resid 42 and name HB1 ) ( resid 43 and name HN ) 4.10 4.10 0.00 peak 524 assign ( resid 36 and name HN ) ( resid 36 and name HG2 ) 4.02 4.02 0.00 peak 526 assign ( resid 36 and name HN ) ( resid 37 and name HN ) 3.85 3.85 0.00 peak 527 assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 3.82 3.82 0.00 peak 529 assign ( resid 36 and name HN ) ( resid 36 and name HG1 ) 4.02 4.02 0.00 peak 531 assign ( resid 36 and name HN ) ( resid 36 and name HB1 ) 3.82 3.82 0.00 peak 532 assign ( resid 46 and name HN ) ( resid 46 and name HB ) 3.68 3.68 0.00 peak 559 assign ( resid 46 and name HN ) ( resid 46 and name HD1+ ) 3.56 3.56 0.00 peak 560 assign ( resid 17 and name HA ) ( resid 21 and name HN ) 4.97 4.97 0.00 peak 574 assign ( resid 48 and name HB1 ) ( resid 49 and name HN ) 4.71 4.71 0.00 peak 584 assign ( resid 57 and name HN ) ( resid 57 and name HB1 ) 3.68 3.68 0.00 peak 597 assign ( resid 20 and name HA ) ( resid 23 and name HN ) 4.12 4.12 0.00 peak 599 assign ( resid 4 and name HN ) ( resid 5 and name HN ) 3.49 3.49 0.00 peak 609 assign ( resid 10 and name HG2+ ) ( resid 12 and name HN ) 5.50 5.50 0.00 peak 626 assign ( resid 16 and name HN ) ( resid 18 and name HD1+ ) 5.50 5.50 0.00 peak 626 assign ( resid 10 and name HG2+ ) ( resid 13 and name HN ) 4.54 4.54 0.00 peak 628 assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 4.25 4.25 0.00 peak 640 assign ( resid 20 and name HB1 ) ( resid 21 and name HN ) 4.10 4.10 0.00 peak 642 assign ( resid 20 and name HN ) ( resid 22 and name HN ) 4.28 4.28 0.00 peak 644 assign ( resid 23 and name HN ) ( resid 25 and name HN ) 4.27 4.27 0.00 peak 647 assign ( resid 26 and name HB2 ) ( resid 27 and name HN ) 4.81 4.81 0.00 peak 656 assign ( resid 34 and name HN ) ( resid 35 and name HN ) 3.95 3.95 0.00 peak 670 assign ( resid 33 and name HN ) ( resid 34 and name HN ) 3.88 3.88 0.00 peak 671 assign ( resid 34 and name HN ) ( resid 34 and name HD+ ) 4.08 4.08 0.00 peak 673 assign ( resid 32 and name HG2+ ) ( resid 36 and name HN ) 4.21 4.21 0.00 peak 677 assign ( resid 37 and name HB1 ) ( resid 38 and name HN ) 4.24 4.24 0.00 peak 683 assign ( resid 38 and name HB2 ) ( resid 39 and name HN ) 4.16 4.16 0.00 peak 687 assign ( resid 41 and name HD1+ ) ( resid 42 and name HN ) 5.50 5.50 0.00 peak 696 assign ( resid 43 and name HA ) ( resid 45 and name HN ) 4.53 4.53 0.00 peak 706 assign ( resid 44 and name HB2 ) ( resid 45 and name HN ) 3.82 3.82 0.00 peak 708 assign ( resid 48 and name HN ) ( resid 50 and name HN ) 4.52 4.52 0.00 peak 718 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 3.59 3.59 0.00 peak 724 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 3.26 3.26 0.00 peak 734 assign ( resid 28 and name HN ) ( resid 29 and name HN ) 4.77 4.77 0.00 peak 764 assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 4.09 4.09 0.00 peak 770 assign ( resid 35 and name HA ) ( resid 38 and name HN ) 3.99 3.99 0.00 peak 771 assign ( resid 41 and name HB1 ) ( resid 42 and name HN ) 4.29 4.29 0.00 peak 777 assign ( resid 19 and name HN ) ( resid 20 and name HG ) 5.14 5.14 0.00 peak 779 assign ( resid 32 and name HA ) ( resid 32 and name HD1+ ) 4.05 4.05 0.00 peak 8 assign ( resid 32 and name HB ) ( resid 32 and name HD1+ ) 3.62 3.62 0.00 peak 9 assign ( resid 20 and name HD2+ ) ( resid 24 and name HE+ ) 3.31 3.31 0.00 peak 12 assign ( resid 48 and name HA ) ( resid 48 and name HD2+ ) 3.38 3.38 0.00 peak 19 assign ( resid 32 and name HG2+ ) ( resid 32 and name HG12 ) 3.91 3.91 0.00 peak 24 assign ( resid 46 and name HA ) ( resid 46 and name HD1+ ) 4.10 4.10 0.00 peak 30 assign ( resid 46 and name HB ) ( resid 46 and name HD1+ ) 3.12 3.12 0.00 peak 31 assign ( resid 10 and name HA ) ( resid 10 and name HG2+ ) 3.80 3.80 0.00 peak 34 assign ( resid 6 and name HG ) ( resid 44 and name HD1+ ) 4.05 4.05 0.00 peak 44 assign ( resid 31 and name HA ) ( resid 31 and name HG2+ ) 3.67 3.67 0.00 peak 51 assign ( resid 27 and name HA ) ( resid 27 and name HG2+ ) 3.34 3.34 0.00 peak 54 assign ( resid 3 and name HG2+ ) ( resid 4 and name HG2+ ) 3.99 3.99 0.00 peak 63 assign ( resid 6 and name HA ) ( resid 6 and name HG ) 4.19 4.19 0.00 peak 85 assign ( resid 12 and name HB+ ) ( resid 13 and name HN ) 3.40 3.40 0.00 peak 89 assign ( resid 15 and name HA ) ( resid 15 and name HD2 ) 5.05 5.05 0.00 peak 102 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 4.68 4.68 0.00 peak 110 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 5.10 5.10 0.00 peak 110 assign ( resid 53 and name HN ) ( resid 53 and name HB1 ) 3.50 3.50 0.00 peak 111 assign ( resid 18 and name HB ) ( resid 18 and name HD1+ ) 3.74 3.74 0.00 peak 128 assign ( resid 22 and name HN ) ( resid 22 and name HB2 ) 3.76 3.76 0.00 peak 130 assign ( resid 59 and name HA ) ( resid 59 and name HG1 ) 4.13 4.13 0.00 peak 158 assign ( resid 21 and name HA ) ( resid 21 and name HG2+ ) 3.48 3.48 0.00 peak 191 assign ( resid 31 and name HA ) ( resid 31 and name HG1+ ) 3.67 3.67 0.00 peak 193 assign ( resid 18 and name HA ) ( resid 18 and name HG2+ ) 3.28 3.28 0.00 peak 194 assign ( resid 18 and name HA ) ( resid 18 and name HG12 ) 3.99 3.99 0.00 peak 195 assign ( resid 46 and name HA ) ( resid 46 and name HG2+ ) 3.27 3.27 0.00 peak 197 assign ( resid 46 and name HA ) ( resid 46 and name HG12 ) 3.93 3.93 0.00 peak 198 assign ( resid 32 and name HA ) ( resid 32 and name HG2+ ) 3.46 3.46 0.00 peak 199 assign ( resid 3 and name HA ) ( resid 3 and name HG1+ ) 3.50 3.50 0.00 peak 202 assign ( resid 15 and name HA ) ( resid 15 and name HG1 ) 4.22 4.22 0.00 peak 221 assign ( resid 15 and name HA ) ( resid 15 and name HD1 ) 5.05 5.05 0.00 peak 221 assign ( resid 15 and name HA ) ( resid 15 and name HG2 ) 4.22 4.22 0.00 peak 222 assign ( resid 48 and name HA ) ( resid 48 and name HD1+ ) 3.38 3.38 0.00 peak 226 assign ( resid 59 and name HA ) ( resid 59 and name HG2 ) 4.13 4.13 0.00 peak 233 assign ( resid 9 and name HA ) ( resid 9 and name HG1 ) 3.98 3.98 0.00 peak 243 assign ( resid 9 and name HA ) ( resid 12 and name HB+ ) 4.04 4.04 0.00 peak 243 assign ( resid 5 and name HA ) ( resid 8 and name HB1 ) 4.04 4.04 0.00 peak 246 assign ( resid 44 and name HA ) ( resid 47 and name HB2 ) 4.35 4.35 0.00 peak 252 assign ( resid 44 and name HA ) ( resid 47 and name HB1 ) 4.35 4.35 0.00 peak 252 assign ( resid 29 and name HA ) ( resid 32 and name HB ) 3.90 3.90 0.00 peak 253 assign ( resid 7 and name HA ) ( resid 10 and name HB ) 3.92 3.92 0.00 peak 272 assign ( resid 8 and name HA ) ( resid 11 and name HB2 ) 4.83 4.83 0.00 peak 272 assign ( resid 56 and name HA ) ( resid 57 and name HN ) 3.52 3.52 0.00 peak 275 assign ( resid 55 and name HA ) ( resid 56 and name HA ) 5.13 5.13 0.00 peak 280 assign ( resid 43 and name HA ) ( resid 46 and name HD1+ ) 3.50 3.50 0.00 peak 284 assign ( resid 10 and name HD1+ ) ( resid 42 and name HA ) 3.80 3.80 0.00 peak 296 assign ( resid 10 and name HB ) ( resid 10 and name HD1+ ) 3.42 3.42 0.00 peak 297 assign ( resid 4 and name HA ) ( resid 4 and name HG2+ ) 3.20 3.20 0.00 peak 312 assign ( resid 17 and name HD1+ ) ( resid 34 and name HD+ ) 4.97 4.97 0.00 peak 316 assign ( resid 17 and name HA ) ( resid 17 and name HD1+ ) 4.46 4.46 0.00 peak 317 assign ( resid 41 and name HB1 ) ( resid 41 and name HD2+ ) 4.10 4.10 0.00 peak 326 assign ( resid 41 and name HA ) ( resid 44 and name HB2 ) 4.18 4.18 0.00 peak 362 assign ( resid 44 and name HB2 ) ( resid 44 and name HD1+ ) 3.27 3.27 0.00 peak 363 assign ( resid 44 and name HB1 ) ( resid 44 and name HD1+ ) 3.76 3.76 0.00 peak 367 assign ( resid 57 and name HB1 ) ( resid 57 and name HD2+ ) 3.91 3.91 0.00 peak 372 assign ( resid 21 and name HA ) ( resid 21 and name HG1+ ) 3.48 3.48 0.00 peak 442 assign ( resid 29 and name HA ) ( resid 32 and name HD1+ ) 3.89 3.89 0.00 peak 444 assign ( resid 20 and name HD2+ ) ( resid 24 and name HB2 ) 4.91 4.91 0.00 peak 446 assign ( resid 18 and name HN ) ( resid 18 and name HG2+ ) 3.98 3.98 0.00 peak 447 assign ( resid 32 and name HG2+ ) ( resid 33 and name HA ) 3.70 3.70 0.00 peak 448 assign ( resid 18 and name HA ) ( resid 18 and name HD1+ ) 3.96 3.96 0.00 peak 452 assign ( resid 21 and name HA ) ( resid 31 and name HG1+ ) 4.34 4.34 0.00 peak 454 assign ( resid 11 and name HB2 ) ( resid 12 and name HB+ ) 5.14 5.14 0.00 peak 464 assign ( resid 11 and name HB1 ) ( resid 12 and name HB+ ) 5.14 5.14 0.00 peak 464 assign ( resid 58 and name HN ) ( resid 58 and name HG ) 4.26 4.26 0.00 peak 465 assign ( resid 46 and name HA ) ( resid 46 and name HG11 ) 3.93 3.93 0.00 peak 472 assign ( resid 48 and name HN ) ( resid 48 and name HG ) 4.70 4.70 0.00 peak 476 assign ( resid 41 and name HN ) ( resid 41 and name HG ) 4.29 4.29 0.00 peak 478 assign ( resid 8 and name HA ) ( resid 11 and name HB1 ) 4.83 4.83 0.00 peak 490 assign ( resid 36 and name HA ) ( resid 36 and name HG2 ) 3.87 3.87 0.00 peak 503 assign ( resid 36 and name HA ) ( resid 39 and name HB1 ) 4.35 4.35 0.00 peak 509 assign ( resid 54 and name HA ) ( resid 54 and name HD2 ) 5.26 5.26 0.00 peak 512 assign ( resid 54 and name HA ) ( resid 54 and name HD1 ) 5.26 5.26 0.00 peak 512 assign ( resid 6 and name HA ) ( resid 9 and name HD2 ) 5.30 5.30 0.00 peak 514 assign ( resid 18 and name HA ) ( resid 18 and name HG11 ) 3.99 3.99 0.00 peak 518 assign ( resid 18 and name HA ) ( resid 21 and name HB ) 3.84 3.84 0.00 peak 519 assign ( resid 32 and name HA ) ( resid 35 and name HB2 ) 4.75 4.75 0.00 peak 522 assign ( resid 32 and name HA ) ( resid 35 and name HB1 ) 4.75 4.75 0.00 peak 522 assign ( resid 3 and name HA ) ( resid 6 and name HB2 ) 4.22 4.22 0.00 peak 525 assign ( resid 38 and name HA ) ( resid 41 and name HD2+ ) 4.88 4.88 0.00 peak 534 assign ( resid 38 and name HA ) ( resid 41 and name HD1+ ) 4.88 4.88 0.00 peak 535 assign ( resid 14 and name HA ) ( resid 38 and name HG ) 4.37 4.37 0.00 peak 536 assign ( resid 47 and name HA ) ( resid 50 and name HB ) 4.35 4.35 0.00 peak 542 assign ( resid 16 and name HA ) ( resid 19 and name HN ) 4.03 4.03 0.00 peak 549 assign ( resid 16 and name HA ) ( resid 19 and name HB1 ) 4.15 4.15 0.00 peak 550 assign ( resid 8 and name HA ) ( resid 9 and name HA ) 4.97 4.97 0.00 peak 554 assign ( resid 9 and name HA ) ( resid 9 and name HD2 ) 5.44 5.44 0.00 peak 555 assign ( resid 9 and name HA ) ( resid 9 and name HD1 ) 5.44 5.44 0.00 peak 555 assign ( resid 18 and name HB ) ( resid 19 and name HA ) 4.72 4.72 0.00 peak 562 assign ( resid 7 and name HA ) ( resid 45 and name HD1+ ) 4.44 4.44 0.00 peak 566 assign ( resid 7 and name HA ) ( resid 45 and name HD2+ ) 4.44 4.44 0.00 peak 566 assign ( resid 7 and name HA ) ( resid 10 and name HD1+ ) 3.69 3.69 0.00 peak 567 assign ( resid 24 and name HA ) ( resid 24 and name HD+ ) 3.80 3.80 0.00 peak 575 assign ( resid 55 and name HA ) ( resid 55 and name HD+ ) 3.92 3.92 0.00 peak 576 assign ( resid 43 and name HA ) ( resid 46 and name HB ) 3.64 3.64 0.00 peak 579 assign ( resid 10 and name HA ) ( resid 10 and name HD1+ ) 4.30 4.30 0.00 peak 587 assign ( resid 3 and name HN ) ( resid 3 and name HG2+ ) 3.81 3.81 0.00 peak 590 assign ( resid 44 and name HB1 ) ( resid 44 and name HD2+ ) 4.24 4.24 0.00 peak 594 assign ( resid 10 and name HG2+ ) ( resid 14 and name HD2 ) 4.81 4.81 0.00 peak 611 assign ( resid 10 and name HG2+ ) ( resid 14 and name HD1 ) 4.81 4.81 0.00 peak 611 assign ( resid 56 and name HN ) ( resid 56 and name HB1 ) 4.20 4.20 0.00 peak 634 assign ( resid 17 and name HA ) ( resid 20 and name HD1+ ) 3.91 3.91 0.00 peak 640 assign ( resid 9 and name HA ) ( resid 9 and name HG2 ) 3.98 3.98 0.00 peak 646 assign ( resid 21 and name HG1+ ) ( resid 26 and name HA ) 5.11 5.11 0.00 peak 649 assign ( resid 32 and name HN ) ( resid 32 and name HD1+ ) 4.03 4.03 0.00 peak 653 assign ( resid 57 and name HN ) ( resid 57 and name HD1+ ) 4.52 4.52 0.00 peak 655 assign ( resid 57 and name HB1 ) ( resid 57 and name HD1+ ) 3.91 3.91 0.00 peak 657 assign ( resid 58 and name HD1+ ) ( resid 59 and name HN ) 4.82 4.82 0.00 peak 658 assign ( resid 20 and name HN ) ( resid 20 and name HD2+ ) 3.94 3.94 0.00 peak 659 assign ( resid 19 and name HE+ ) ( resid 20 and name HD2+ ) 3.84 3.84 0.00 peak 660 assign ( resid 20 and name HD2+ ) ( resid 24 and name HD+ ) 4.07 4.07 0.00 peak 660 assign ( resid 20 and name HA ) ( resid 20 and name HD2+ ) 3.37 3.37 0.00 peak 661 assign ( resid 19 and name HB1 ) ( resid 20 and name HD2+ ) 4.43 4.43 0.00 peak 662 assign ( resid 7 and name HB2 ) ( resid 45 and name HD2+ ) 5.50 5.50 0.00 peak 672 assign ( resid 18 and name HN ) ( resid 18 and name HD1+ ) 3.93 3.93 0.00 peak 674 assign ( resid 10 and name HG2+ ) ( resid 42 and name HA ) 4.49 4.49 0.00 peak 676 assign ( resid 46 and name HN ) ( resid 46 and name HG2+ ) 4.06 4.06 0.00 peak 678 assign ( resid 21 and name HG2+ ) ( resid 26 and name HA ) 5.11 5.11 0.00 peak 681 assign ( resid 44 and name HA ) ( resid 44 and name HD1+ ) 4.04 4.04 0.00 peak 682 assign ( resid 27 and name HG2+ ) ( resid 32 and name HD1+ ) 5.03 5.03 0.00 peak 687 assign ( resid 32 and name HA ) ( resid 32 and name HG11 ) 4.18 4.18 0.00 peak 695 assign ( resid 4 and name HG2+ ) ( resid 5 and name HN ) 4.00 4.00 0.00 peak 697 assign ( resid 50 and name HA ) ( resid 50 and name HG2+ ) 3.42 3.42 0.00 peak 700 assign ( resid 39 and name HA ) ( resid 42 and name HB1 ) 4.21 4.21 0.00 peak 705 assign ( resid 40 and name HA ) ( resid 40 and name HG1 ) 4.14 4.14 0.00 peak 706 assign ( resid 58 and name HG ) ( resid 59 and name HN ) 5.47 5.47 0.00 peak 712 assign ( resid 45 and name HA ) ( resid 45 and name HG ) 4.23 4.23 0.00 peak 720 assign ( resid 53 and name HB2 ) ( resid 53 and name HE2 ) 5.20 5.20 0.00 peak 722 assign ( resid 53 and name HB2 ) ( resid 53 and name HE1 ) 5.20 5.20 0.00 peak 722 assign ( resid 40 and name HA ) ( resid 40 and name HG2 ) 4.14 4.14 0.00 peak 723 assign ( resid 18 and name HG2+ ) ( resid 22 and name HG1 ) 4.38 4.38 0.00 peak 748 assign ( resid 36 and name HA ) ( resid 36 and name HG1 ) 3.87 3.87 0.00 peak 754 assign ( resid 7 and name HB2 ) ( resid 8 and name HN ) 4.13 4.13 0.00 peak 757 assign ( resid 7 and name HB2 ) ( resid 45 and name HD1+ ) 5.50 5.50 0.00 peak 760 assign ( resid 20 and name HD1+ ) ( resid 31 and name HA ) 5.01 5.01 0.00 peak 770 assign ( resid 10 and name HG2+ ) ( resid 11 and name HA ) 3.70 3.70 0.00 peak 783 assign ( resid 4 and name HA ) ( resid 7 and name HB1 ) 4.49 4.49 0.00 peak 784 assign ( resid 4 and name HA ) ( resid 7 and name HB2 ) 4.49 4.49 0.00 peak 785 assign ( resid 15 and name HA ) ( resid 18 and name HD1+ ) 3.46 3.46 0.00 peak 787 assign ( resid 16 and name HA ) ( resid 19 and name HB2 ) 4.25 4.25 0.00 peak 788 assign ( resid 17 and name HD2+ ) ( resid 35 and name HA ) 4.37 4.37 0.00 peak 797 assign ( resid 5 and name HA ) ( resid 8 and name HB2 ) 4.04 4.04 0.00 peak 800 assign ( resid 29 and name HA ) ( resid 32 and name HG2+ ) 4.49 4.49 0.00 peak 805 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 4.24 4.24 0.00 peak 807 assign ( resid 26 and name HA ) ( resid 26 and name HD+ ) 4.15 4.15 0.00 peak 816 assign ( resid 6 and name HB1 ) ( resid 7 and name HA ) 4.16 4.16 0.00 peak 820 assign ( resid 27 and name HA ) ( resid 32 and name HD1+ ) 3.99 3.99 0.00 peak 821 assign ( resid 10 and name HN ) ( resid 10 and name HD1+ ) 5.00 5.00 0.00 peak 837 assign ( resid 3 and name HG2+ ) ( resid 4 and name HN ) 4.19 4.19 0.00 peak 846 assign ( resid 3 and name HG2+ ) ( resid 4 and name HA ) 3.92 3.92 0.00 peak 847 assign ( resid 3 and name HA ) ( resid 3 and name HG2+ ) 3.65 3.65 0.00 peak 848 assign ( resid 3 and name HG1+ ) ( resid 6 and name HB2 ) 5.29 5.29 0.00 peak 854 assign ( resid 17 and name HD1+ ) ( resid 35 and name HA ) 4.37 4.37 0.00 peak 857 assign ( resid 41 and name HB2 ) ( resid 41 and name HD2+ ) 4.10 4.10 0.00 peak 862 assign ( resid 48 and name HN ) ( resid 48 and name HD1+ ) 5.28 5.28 0.00 peak 863 assign ( resid 57 and name HN ) ( resid 57 and name HG ) 4.71 4.71 0.00 peak 870 assign ( resid 39 and name HA ) ( resid 42 and name HB2 ) 4.21 4.21 0.00 peak 878 assign ( resid 7 and name HB1 ) ( resid 45 and name HD1+ ) 5.50 5.50 0.00 peak 900 assign ( resid 7 and name HB1 ) ( resid 45 and name HD2+ ) 5.50 5.50 0.00 peak 900 assign ( resid 31 and name HN ) ( resid 31 and name HG1+ ) 4.24 4.24 0.00 peak 918 assign ( resid 32 and name HA ) ( resid 32 and name HG12 ) 4.25 4.25 0.00 peak 935 assign ( resid 2 and name HB1 ) ( resid 4 and name HN ) 4.81 4.81 0.00 peak 967 assign ( resid 41 and name HB2 ) ( resid 41 and name HD1+ ) 4.10 4.10 0.00 peak 992 assign ( resid 41 and name HB1 ) ( resid 41 and name HD1+ ) 4.10 4.10 0.00 peak 993 assign ( resid 41 and name HA ) ( resid 41 and name HD1+ ) 4.30 4.30 0.00 peak 995 assign ( resid 2 and name HA ) ( resid 3 and name HG1+ ) 4.38 4.38 0.00 peak 999 assign ( resid 10 and name HG2+ ) ( resid 41 and name HB2 ) 5.07 5.07 0.00 peak 1027 assign ( resid 57 and name HB2 ) ( resid 57 and name HD1+ ) 3.91 3.91 0.00 peak 1033 assign ( resid 57 and name HB2 ) ( resid 57 and name HD2+ ) 3.91 3.91 0.00 peak 1033 assign ( resid 15 and name HA ) ( resid 18 and name HB ) 4.27 4.27 0.00 peak 1042 assign ( resid 6 and name HN ) ( resid 6 and name HG ) 4.81 4.81 0.00 peak 1095 assign ( resid 44 and name HN ) ( resid 44 and name HB1 ) 4.09 4.09 0.00 peak 1102 assign ( resid 41 and name HA ) ( resid 44 and name HB1 ) 4.93 4.93 0.00 peak 1104 assign ( resid 6 and name HG ) ( resid 44 and name HB1 ) 4.47 4.47 0.00 peak 1105 assign ( resid 6 and name HG ) ( resid 44 and name HB2 ) 3.96 3.96 0.00 peak 1108 assign ( resid 21 and name HN ) ( resid 21 and name HG2+ ) 3.92 3.92 0.00 peak 1112 assign ( resid 41 and name HN ) ( resid 41 and name HD2+ ) 4.35 4.35 0.00 peak 1117 assign ( resid 41 and name HA ) ( resid 41 and name HD2+ ) 4.30 4.30 0.00 peak 1120 assign ( resid 10 and name HG2+ ) ( resid 41 and name HB1 ) 5.07 5.07 0.00 peak 1127 assign ( resid 2 and name HA ) ( resid 3 and name HG2+ ) 4.35 4.35 0.00 peak 1133 assign ( resid 17 and name HA ) ( resid 17 and name HD2+ ) 4.46 4.46 0.00 peak 1134 assign ( resid 17 and name HD2+ ) ( resid 34 and name HD+ ) 4.97 4.97 0.00 peak 1136 assign ( resid 44 and name HB1 ) ( resid 45 and name HN ) 4.45 4.45 0.00 peak 1161 assign ( resid 41 and name HA ) ( resid 44 and name HD1+ ) 4.00 4.00 0.00 peak 1180 assign ( resid 32 and name HG2+ ) ( resid 32 and name HD1+ ) 2.77 2.77 0.00 peak 1185 assign ( resid 18 and name HG2+ ) ( resid 19 and name HA ) 4.57 4.57 0.00 peak 1190 assign ( resid 43 and name HA ) ( resid 46 and name HG2+ ) 4.82 4.82 0.00 peak 1195 assign ( resid 46 and name HG2+ ) ( resid 47 and name HA ) 4.40 4.40 0.00 peak 1196 assign ( resid 21 and name HA ) ( resid 31 and name HG2+ ) 4.34 4.34 0.00 peak 1201 assign ( resid 52 and name HA ) ( resid 52 and name HG2 ) 4.18 4.18 0.00 peak 1214 assign ( resid 52 and name HG1 ) ( resid 53 and name HB1 ) 4.23 4.23 0.00 peak 1216 assign ( resid 52 and name HA ) ( resid 57 and name HG ) 4.17 4.17 0.00 peak 1224 assign ( resid 44 and name HA ) ( resid 44 and name HG ) 3.86 3.86 0.00 peak 1226 assign ( resid 32 and name HN ) ( resid 32 and name HB ) 4.03 4.03 0.00 peak 1232 assign ( resid 52 and name HB2 ) ( resid 52 and name HE2 ) 5.50 5.50 0.00 peak 1235 assign ( resid 52 and name HB2 ) ( resid 52 and name HE1 ) 5.50 5.50 0.00 peak 1235 assign ( resid 41 and name HG ) ( resid 42 and name HN ) 5.19 5.19 0.00 peak 1244 assign ( resid 18 and name HG2+ ) ( resid 22 and name HG2 ) 4.38 4.38 0.00 peak 1277 assign ( resid 39 and name HB2 ) ( resid 40 and name HN ) 4.23 4.23 0.00 peak 1292 assign ( resid 36 and name HA ) ( resid 39 and name HB2 ) 4.35 4.35 0.00 peak 1302 assign ( resid 19 and name HB1 ) ( resid 20 and name HA ) 4.43 4.43 0.00 peak 1319 assign ( resid 6 and name HA ) ( resid 9 and name HD1 ) 5.30 5.30 0.00 peak 1324 assign ( resid 10 and name HA ) ( resid 13 and name HN ) 5.00 5.00 0.00 peak 1329 assign ( resid 31 and name HA ) ( resid 34 and name HD+ ) 4.42 4.42 0.00 peak 1333 assign ( resid 11 and name HA ) ( resid 14 and name HN ) 4.41 4.41 0.00 peak 1350 assign ( resid 29 and name HA ) ( resid 32 and name HN ) 4.50 4.50 0.00 peak 1367 assign ( resid 19 and name HA ) ( resid 22 and name HN ) 4.69 4.69 0.00 peak 1368 assign ( resid 26 and name HN ) ( resid 26 and name HB1 ) 3.87 3.87 0.00 peak 1380 assign ( resid 34 and name HB2 ) ( resid 35 and name HN ) 4.27 4.27 0.00 peak 1381 assign ( resid 19 and name HD+ ) ( resid 20 and name HD2+ ) 3.78 3.78 0.00 peak 3 assign ( resid 19 and name HA ) ( resid 19 and name HD+ ) 3.65 3.65 0.00 peak 4 assign ( resid 19 and name HD+ ) ( resid 20 and name HG ) 3.88 3.88 0.00 peak 30 assign ( resid 19 and name HN ) ( resid 19 and name HD+ ) 4.40 4.40 0.00 peak 2 assign ( resid 24 and name HN ) ( resid 24 and name HD+ ) 4.42 4.42 0.00 peak 3 assign ( resid 63 and name HA ) ( resid 64 and name HN ) 2.86 2.86 0.00 peak 7 assign ( resid 43 and name HB2 ) ( resid 44 and name HN ) 4.15 4.15 0.00 peak 26 assign ( resid 47 and name HN ) ( resid 47 and name HG2 ) 5.23 5.23 0.00 peak 37 assign ( resid 47 and name HN ) ( resid 47 and name HG1 ) 5.23 5.23 0.00 peak 37 assign ( resid 32 and name HN ) ( resid 32 and name HG11 ) 3.90 3.90 0.00 peak 40 assign ( resid 52 and name HA ) ( resid 53 and name HN ) 3.31 3.31 0.00 peak 43 assign ( resid 16 and name HN ) ( resid 16 and name HB2 ) 3.93 3.93 0.00 peak 54 assign ( resid 57 and name HA ) ( resid 58 and name HN ) 3.56 3.56 0.00 peak 65 assign ( resid 37 and name HN ) ( resid 37 and name HG2 ) 4.59 4.59 0.00 peak 70 assign ( resid 37 and name HN ) ( resid 37 and name HG1 ) 4.59 4.59 0.00 peak 70 assign ( resid 52 and name HN ) ( resid 52 and name HG2 ) 4.38 4.38 0.00 peak 84 assign ( resid 58 and name HA ) ( resid 59 and name HN ) 3.56 3.56 0.00 peak 86 assign ( resid 58 and name HB2 ) ( resid 59 and name HN ) 3.34 3.34 0.00 peak 87 assign ( resid 59 and name HN ) ( resid 59 and name HG1 ) 3.92 3.92 0.00 peak 88 assign ( resid 22 and name HN ) ( resid 22 and name HG2 ) 3.98 3.98 0.00 peak 93 assign ( resid 13 and name HB2 ) ( resid 14 and name HN ) 4.37 4.37 0.00 peak 108 assign ( resid 39 and name HB1 ) ( resid 40 and name HN ) 4.23 4.23 0.00 peak 111 assign ( resid 8 and name HN ) ( resid 8 and name HB2 ) 3.73 3.73 0.00 peak 117 assign ( resid 6 and name HB1 ) ( resid 7 and name HN ) 4.11 4.11 0.00 peak 128 assign ( resid 18 and name HN ) ( resid 18 and name HG11 ) 3.93 3.93 0.00 peak 134 assign ( resid 22 and name HB1 ) ( resid 23 and name HN ) 4.14 4.14 0.00 peak 135 assign ( resid 3 and name HB ) ( resid 4 and name HN ) 3.99 3.99 0.00 peak 141 assign ( resid 42 and name HB2 ) ( resid 43 and name HN ) 4.10 4.10 0.00 peak 144 assign ( resid 23 and name HB2 ) ( resid 24 and name HN ) 4.24 4.24 0.00 peak 153 assign ( resid 27 and name HN ) ( resid 27 and name HG2+ ) 4.04 4.04 0.00 peak 168 assign ( resid 49 and name HN ) ( resid 49 and name HG2 ) 4.95 4.95 0.00 peak 183 assign ( resid 17 and name HN ) ( resid 17 and name HG ) 4.87 4.87 0.00 peak 185 assign ( resid 45 and name HN ) ( resid 46 and name HB ) 5.50 5.50 0.00 peak 186 assign ( resid 57 and name HN ) ( resid 57 and name HD2+ ) 4.52 4.52 0.00 peak 190 assign ( resid 44 and name HN ) ( resid 44 and name HG ) 4.34 4.34 0.00 peak 193 assign ( resid 50 and name HB ) ( resid 51 and name HN ) 4.11 4.11 0.00 peak 194 assign ( resid 6 and name HA ) ( resid 9 and name HN ) 4.59 4.59 0.00 peak 196 assign ( resid 44 and name HA ) ( resid 47 and name HN ) 4.16 4.16 0.00 peak 199 assign ( resid 2 and name HB2 ) ( resid 5 and name HN ) 4.93 4.93 0.00 peak 202 assign ( resid 2 and name HB1 ) ( resid 5 and name HN ) 4.93 4.93 0.00 peak 202 assign ( resid 16 and name HN ) ( resid 17 and name HB2 ) 5.50 5.50 0.00 peak 208 assign ( resid 16 and name HN ) ( resid 17 and name HB1 ) 5.50 5.50 0.00 peak 208 assign ( resid 16 and name HN ) ( resid 19 and name HB1 ) 5.43 5.43 0.00 peak 209 assign ( resid 35 and name HA ) ( resid 37 and name HN ) 4.22 4.22 0.00 peak 215 assign ( resid 13 and name HA ) ( resid 17 and name HN ) 5.07 5.07 0.00 peak 223 assign ( resid 37 and name HA ) ( resid 40 and name HN ) 4.16 4.16 0.00 peak 232 assign ( resid 59 and name HG2 ) ( resid 60 and name HN ) 5.50 5.50 0.00 peak 233 assign ( resid 59 and name HG1 ) ( resid 60 and name HN ) 5.50 5.50 0.00 peak 233 assign ( resid 49 and name HN ) ( resid 49 and name HD2 ) 5.50 5.50 0.00 peak 238 assign ( resid 49 and name HN ) ( resid 49 and name HD1 ) 5.50 5.50 0.00 peak 238 assign ( resid 48 and name HB2 ) ( resid 49 and name HN ) 4.71 4.71 0.00 peak 239 assign ( resid 43 and name HA ) ( resid 46 and name HN ) 4.33 4.33 0.00 peak 240 assign ( resid 2 and name HB2 ) ( resid 4 and name HN ) 4.81 4.81 0.00 peak 245 assign ( resid 54 and name HA ) ( resid 56 and name HN ) 4.30 4.30 0.00 peak 246 assign ( resid 30 and name HA ) ( resid 33 and name HN ) 4.20 4.20 0.00 peak 251 assign ( resid 32 and name HG11 ) ( resid 33 and name HN ) 4.34 4.34 0.00 peak 253 assign ( resid 6 and name HN ) ( resid 6 and name HB2 ) 3.71 3.71 0.00 peak 268 assign ( resid 41 and name HD2+ ) ( resid 42 and name HN ) 5.50 5.50 0.00 peak 269 assign ( resid 64 and name HN ) ( resid 64 and name HB2 ) 3.45 3.45 0.00 peak 274 assign ( resid 10 and name HN ) ( resid 10 and name HG11 ) 4.42 4.42 0.00 peak 275 assign ( resid 45 and name HN ) ( resid 46 and name HA ) 5.50 5.50 0.00 peak 281 assign ( resid 33 and name HN ) ( resid 34 and name HD+ ) 5.34 5.34 0.00 peak 2 assign ( resid 34 and name HA ) ( resid 34 and name HD+ ) 4.00 4.00 0.00 peak 46 assign ( resid 16 and name HA ) ( resid 19 and name HD+ ) 4.59 4.59 0.00 peak 47 assign ( resid 20 and name HA ) ( resid 24 and name HE+ ) 4.21 4.21 0.00 peak 48 assign ( resid 20 and name HA ) ( resid 24 and name HD+ ) 3.96 3.96 0.00 peak 50 assign ( resid 20 and name HG ) ( resid 34 and name HE+ ) 5.22 5.22 0.00 peak 69 assign ( resid 20 and name HD1+ ) ( resid 34 and name HD+ ) 3.90 3.90 0.00 peak 85 assign ( resid 20 and name HD1+ ) ( resid 24 and name HE+ ) 4.23 4.23 0.00 peak 87 assign ( resid 20 and name HD1+ ) ( resid 34 and name HE+ ) 4.38 4.38 0.00 peak 89 assign ( resid 28 and name HD2 ) ( resid 30 and name HN ) 4.30 4.30 0.00 peak 95 assign ( resid 2 and name HB+ ) ( resid 3 and name HN ) 3.97 3.97 0.00 peak 42 assign ( resid 2 and name HB+ ) ( resid 3 and name HA ) 5.32 5.32 0.00 peak 892 assign ( resid 2 and name HB+ ) ( resid 4 and name HN ) 4.22 4.22 0.00 peak 967 assign ( resid 2 and name HB+ ) ( resid 5 and name HN ) 4.31 4.31 0.00 peak 202 assign ( resid 2 and name HB+ ) ( resid 5 and name HB+ ) 4.20 4.20 0.00 peak 983 assign ( resid 4 and name HN ) ( resid 5 and name HB+ ) 5.32 5.32 0.00 peak 522 assign ( resid 4 and name HG2+ ) ( resid 5 and name HB+ ) 4.05 4.05 0.00 peak 699 assign ( resid 5 and name HN ) ( resid 5 and name HB+ ) 3.26 3.26 0.00 peak 130 assign ( resid 5 and name HN ) ( resid 5 and name HG+ ) 3.53 3.53 0.00 peak 131 assign ( resid 5 and name HB+ ) ( resid 6 and name HN ) 3.81 3.81 0.00 peak 118 assign ( resid 5 and name HG+ ) ( resid 6 and name HN ) 4.82 4.82 0.00 peak 604 assign ( resid 6 and name HN ) ( resid 6 and name HD++ ) 3.70 3.70 0.00 peak 121 assign ( resid 6 and name HA ) ( resid 6 and name HD++ ) 3.71 3.71 0.00 peak 240 assign ( resid 6 and name HA ) ( resid 9 and name HB+ ) 3.97 3.97 0.00 peak 147 assign ( resid 6 and name HA ) ( resid 9 and name HG+ ) 4.61 4.61 0.00 peak 85 assign ( resid 6 and name HA ) ( resid 9 and name HD+ ) 4.62 4.62 0.00 peak 1324 assign ( resid 6 and name HD++ ) ( resid 9 and name HN ) 5.44 5.44 0.00 peak 78 assign ( resid 6 and name HD++ ) ( resid 9 and name HB+ ) 4.00 4.00 0.00 peak 734 assign ( resid 6 and name HD++ ) ( resid 9 and name HD+ ) 4.85 4.85 0.00 peak 1323 assign ( resid 6 and name HD++ ) ( resid 44 and name HA ) 4.61 4.61 0.00 peak 241 assign ( resid 6 and name HD++ ) ( resid 44 and name HB2 ) 3.82 3.82 0.00 peak 1110 assign ( resid 6 and name HD++ ) ( resid 44 and name HB1 ) 3.54 3.54 0.00 peak 367 assign ( resid 6 and name HD++ ) ( resid 45 and name HA ) 4.36 4.36 0.00 peak 599 assign ( resid 7 and name HN ) ( resid 45 and name HD++ ) 4.23 4.23 0.00 peak 383 assign ( resid 7 and name HA ) ( resid 45 and name HD++ ) 3.66 3.66 0.00 peak 566 assign ( resid 7 and name HB+ ) ( resid 7 and name HD2+ ) 3.20 3.20 0.00 peak 180 assign ( resid 7 and name HB+ ) ( resid 8 and name HN ) 3.45 3.45 0.00 peak 333 assign ( resid 7 and name HB+ ) ( resid 10 and name HD1+ ) 4.59 4.59 0.00 peak 1067 assign ( resid 7 and name HB+ ) ( resid 45 and name HD++ ) 3.75 3.75 0.00 peak 672 assign ( resid 7 and name HD2+ ) ( resid 45 and name HD++ ) 3.95 3.95 0.00 peak 555 assign ( resid 8 and name HA ) ( resid 11 and name HB+ ) 4.04 4.04 0.00 peak 272 assign ( resid 9 and name HN ) ( resid 9 and name HB+ ) 3.21 3.21 0.00 peak 75 assign ( resid 9 and name HA ) ( resid 9 and name HG+ ) 3.46 3.46 0.00 peak 243 assign ( resid 9 and name HA ) ( resid 9 and name HD+ ) 4.65 4.65 0.00 peak 555 assign ( resid 9 and name HB+ ) ( resid 10 and name HN ) 3.61 3.61 0.00 peak 98 assign ( resid 9 and name HB+ ) ( resid 41 and name HD++ ) 4.09 4.09 0.00 peak 731 assign ( resid 9 and name HD+ ) ( resid 41 and name HD++ ) 4.85 4.85 0.00 peak 1123 assign ( resid 10 and name HN ) ( resid 10 and name HG1+ ) 3.84 3.84 0.00 peak 100 assign ( resid 10 and name HN ) ( resid 41 and name HD++ ) 4.80 4.80 0.00 peak 100 assign ( resid 10 and name HA ) ( resid 13 and name HB+ ) 3.84 3.84 0.00 peak 517 assign ( resid 10 and name HA ) ( resid 41 and name HD++ ) 4.46 4.46 0.00 peak 1122 assign ( resid 10 and name HG2+ ) ( resid 14 and name HD+ ) 4.01 4.01 0.00 peak 611 assign ( resid 10 and name HG2+ ) ( resid 14 and name HE+ ) 3.59 3.59 0.00 peak 453 assign ( resid 10 and name HG2+ ) ( resid 41 and name HB+ ) 4.44 4.44 0.00 peak 1127 assign ( resid 10 and name HG1+ ) ( resid 41 and name HB+ ) 4.41 4.41 0.00 peak 1126 assign ( resid 10 and name HG1+ ) ( resid 42 and name HN ) 4.77 4.77 0.00 peak 696 assign ( resid 10 and name HD1+ ) ( resid 41 and name HB+ ) 5.34 5.34 0.00 peak 1027 assign ( resid 11 and name HN ) ( resid 11 and name HB+ ) 3.57 3.57 0.00 peak 152 assign ( resid 11 and name HN ) ( resid 11 and name HG+ ) 4.41 4.41 0.00 peak 351 assign ( resid 11 and name HA ) ( resid 14 and name HD+ ) 3.96 3.96 0.00 peak 609 assign ( resid 11 and name HB+ ) ( resid 12 and name HN ) 3.48 3.48 0.00 peak 141 assign ( resid 11 and name HB+ ) ( resid 12 and name HB+ ) 4.51 4.51 0.00 peak 464 assign ( resid 11 and name HG+ ) ( resid 12 and name HN ) 4.61 4.61 0.00 peak 1290 assign ( resid 12 and name HA ) ( resid 15 and name HB+ ) 3.83 3.83 0.00 peak 809 assign ( resid 13 and name HN ) ( resid 13 and name HB+ ) 3.43 3.43 0.00 peak 152 assign ( resid 13 and name HN ) ( resid 13 and name HG+ ) 4.34 4.34 0.00 peak 153 assign ( resid 13 and name HN ) ( resid 14 and name HG+ ) 4.43 4.43 0.00 peak 155 assign ( resid 13 and name HN ) ( resid 14 and name HD+ ) 4.98 4.98 0.00 peak 156 assign ( resid 13 and name HA ) ( resid 16 and name HB+ ) 4.48 4.48 0.00 peak 1287 assign ( resid 13 and name HB+ ) ( resid 14 and name HN ) 3.74 3.74 0.00 peak 303 assign ( resid 13 and name HB+ ) ( resid 38 and name HD++ ) 4.55 4.55 0.00 peak 925 assign ( resid 14 and name HN ) ( resid 14 and name HB+ ) 3.61 3.61 0.00 peak 305 assign ( resid 14 and name HN ) ( resid 38 and name HD++ ) 4.62 4.62 0.00 peak 308 assign ( resid 14 and name HA ) ( resid 38 and name HD++ ) 4.37 4.37 0.00 peak 537 assign ( resid 14 and name HB+ ) ( resid 14 and name HD+ ) 3.33 3.33 0.00 peak 353 assign ( resid 14 and name HB+ ) ( resid 14 and name HE+ ) 3.59 3.59 0.00 peak 895 assign ( resid 15 and name HN ) ( resid 15 and name HB+ ) 3.13 3.13 0.00 peak 391 assign ( resid 15 and name HN ) ( resid 15 and name HD+ ) 4.41 4.41 0.00 peak 394 assign ( resid 15 and name HA ) ( resid 15 and name HG+ ) 3.61 3.61 0.00 peak 222 assign ( resid 15 and name HA ) ( resid 15 and name HD+ ) 4.39 4.39 0.00 peak 221 assign ( resid 15 and name HA ) ( resid 15 and name HE+ ) 4.13 4.13 0.00 peak 384 assign ( resid 15 and name HB+ ) ( resid 15 and name HE+ ) 4.69 4.69 0.00 peak 1021 assign ( resid 15 and name HB+ ) ( resid 16 and name HN ) 3.68 3.68 0.00 peak 142 assign ( resid 15 and name HG+ ) ( resid 15 and name HE+ ) 2.84 2.84 0.00 peak 388 assign ( resid 15 and name HG+ ) ( resid 16 and name HN ) 4.41 4.41 0.00 peak 143 assign ( resid 16 and name HN ) ( resid 16 and name HB+ ) 3.30 3.30 0.00 peak 147 assign ( resid 16 and name HN ) ( resid 16 and name HG+ ) 4.44 4.44 0.00 peak 744 assign ( resid 16 and name HB+ ) ( resid 17 and name HN ) 4.27 4.27 0.00 peak 100 assign ( resid 16 and name HG+ ) ( resid 17 and name HN ) 3.93 3.93 0.00 peak 266 assign ( resid 16 and name HG+ ) ( resid 20 and name HD1+ ) 4.49 4.49 0.00 peak 1268 assign ( resid 16 and name HG+ ) ( resid 20 and name HD2+ ) 4.15 4.15 0.00 peak 497 assign ( resid 17 and name HA ) ( resid 17 and name HD++ ) 3.36 3.36 0.00 peak 317 assign ( resid 17 and name HA ) ( resid 20 and name HB+ ) 4.21 4.21 0.00 peak 530 assign ( resid 17 and name HA ) ( resid 21 and name HG++ ) 4.20 4.20 0.00 peak 781 assign ( resid 17 and name HB1 ) ( resid 18 and name HG1+ ) 3.95 3.95 0.00 peak 1236 assign ( resid 17 and name HB1 ) ( resid 21 and name HG++ ) 4.51 4.51 0.00 peak 683 assign ( resid 17 and name HD++ ) ( resid 20 and name HN ) 4.65 4.65 0.00 peak 1203 assign ( resid 17 and name HD++ ) ( resid 20 and name HD1+ ) 3.69 3.69 0.00 peak 859 assign ( resid 17 and name HD++ ) ( resid 21 and name HN ) 4.08 4.08 0.00 peak 257 assign ( resid 17 and name HD++ ) ( resid 34 and name HN ) 4.17 4.17 0.00 peak 12 assign ( resid 17 and name HD++ ) ( resid 34 and name HB+ ) 3.92 3.92 0.00 peak 858 assign ( resid 17 and name HD++ ) ( resid 34 and name HD+ ) 3.50 3.50 0.00 peak 316 assign ( resid 17 and name HD++ ) ( resid 34 and name HE+ ) 4.65 4.65 0.00 peak 91 assign ( resid 17 and name HD++ ) ( resid 35 and name HN ) 4.14 4.14 0.00 peak 440 assign ( resid 17 and name HD++ ) ( resid 35 and name HA ) 3.75 3.75 0.00 peak 797 assign ( resid 17 and name HD++ ) ( resid 35 and name HB+ ) 4.01 4.01 0.00 peak 857 assign ( resid 18 and name HN ) ( resid 18 and name HG1+ ) 3.38 3.38 0.00 peak 134 assign ( resid 18 and name HN ) ( resid 21 and name HG++ ) 4.29 4.29 0.00 peak 1178 assign ( resid 18 and name HA ) ( resid 18 and name HG1+ ) 3.47 3.47 0.00 peak 195 assign ( resid 18 and name HG2+ ) ( resid 18 and name HG1+ ) 3.23 3.23 0.00 peak 23 assign ( resid 18 and name HG2+ ) ( resid 22 and name HG+ ) 3.66 3.66 0.00 peak 748 assign ( resid 19 and name HA ) ( resid 22 and name HB+ ) 3.95 3.95 0.00 peak 814 assign ( resid 19 and name HA ) ( resid 22 and name HG+ ) 4.34 4.34 0.00 peak 1276 assign ( resid 19 and name HD+ ) ( resid 20 and name HB+ ) 4.72 4.72 0.00 peak 31 assign ( resid 20 and name HN ) ( resid 20 and name HB+ ) 3.60 3.60 0.00 peak 195 assign ( resid 20 and name HN ) ( resid 21 and name HG++ ) 4.22 4.22 0.00 peak 198 assign ( resid 20 and name HB+ ) ( resid 21 and name HN ) 3.60 3.60 0.00 peak 256 assign ( resid 20 and name HB+ ) ( resid 21 and name HG++ ) 4.28 4.28 0.00 peak 1260 assign ( resid 20 and name HB+ ) ( resid 31 and name HG++ ) 4.84 4.84 0.00 peak 1260 assign ( resid 20 and name HD1+ ) ( resid 31 and name HG++ ) 4.67 4.67 0.00 peak 686 assign ( resid 20 and name HD1+ ) ( resid 34 and name HB+ ) 4.63 4.63 0.00 peak 949 assign ( resid 21 and name HN ) ( resid 21 and name HG++ ) 3.18 3.18 0.00 peak 1112 assign ( resid 21 and name HA ) ( resid 21 and name HG++ ) 3.01 3.01 0.00 peak 191 assign ( resid 21 and name HA ) ( resid 31 and name HG++ ) 3.69 3.69 0.00 peak 1201 assign ( resid 21 and name HG++ ) ( resid 22 and name HN ) 3.60 3.60 0.00 peak 244 assign ( resid 21 and name HG++ ) ( resid 22 and name HA ) 4.12 4.12 0.00 peak 650 assign ( resid 21 and name HG++ ) ( resid 26 and name HN ) 4.47 4.47 0.00 peak 653 assign ( resid 21 and name HG++ ) ( resid 26 and name HA ) 3.91 3.91 0.00 peak 649 assign ( resid 21 and name HG++ ) ( resid 26 and name HD+ ) 4.62 4.62 0.00 peak 88 assign ( resid 21 and name HG++ ) ( resid 31 and name HG++ ) 3.32 3.32 0.00 peak 4 assign ( resid 22 and name HN ) ( resid 22 and name HB+ ) 3.10 3.10 0.00 peak 243 assign ( resid 22 and name HN ) ( resid 22 and name HG+ ) 3.49 3.49 0.00 peak 93 assign ( resid 22 and name HA ) ( resid 22 and name HG+ ) 3.69 3.69 0.00 peak 488 assign ( resid 22 and name HB+ ) ( resid 23 and name HN ) 3.60 3.60 0.00 peak 135 assign ( resid 23 and name HN ) ( resid 23 and name HB+ ) 3.22 3.22 0.00 peak 410 assign ( resid 23 and name HA ) ( resid 23 and name HG+ ) 3.61 3.61 0.00 peak 776 assign ( resid 23 and name HA ) ( resid 23 and name HD+ ) 4.16 4.16 0.00 peak 201 assign ( resid 23 and name HA ) ( resid 23 and name HE+ ) 5.34 5.34 0.00 peak 892 assign ( resid 23 and name HB+ ) ( resid 24 and name HN ) 3.64 3.64 0.00 peak 450 assign ( resid 23 and name HG+ ) ( resid 23 and name HE+ ) 3.26 3.26 0.00 peak 617 assign ( resid 23 and name HG+ ) ( resid 24 and name HN ) 4.87 4.87 0.00 peak 250 assign ( resid 24 and name HN ) ( resid 25 and name HA+ ) 4.94 4.94 0.00 peak 249 assign ( resid 24 and name HN ) ( resid 31 and name HG++ ) 5.17 5.17 0.00 peak 250 assign ( resid 24 and name HB2 ) ( resid 31 and name HG++ ) 4.06 4.06 0.00 peak 48 assign ( resid 24 and name HB1 ) ( resid 31 and name HG++ ) 4.42 4.42 0.00 peak 52 assign ( resid 24 and name HD+ ) ( resid 31 and name HG++ ) 3.98 3.98 0.00 peak 80 assign ( resid 25 and name HN ) ( resid 31 and name HG++ ) 3.91 3.91 0.00 peak 488 assign ( resid 25 and name HA+ ) ( resid 26 and name HA ) 4.39 4.39 0.00 peak 565 assign ( resid 26 and name HN ) ( resid 26 and name HB+ ) 3.28 3.28 0.00 peak 438 assign ( resid 26 and name HA ) ( resid 31 and name HG++ ) 3.77 3.77 0.00 peak 267 assign ( resid 26 and name HB+ ) ( resid 27 and name HN ) 4.16 4.16 0.00 peak 496 assign ( resid 28 and name HN ) ( resid 31 and name HG++ ) 4.43 4.43 0.00 peak 38 assign ( resid 28 and name HD2 ) ( resid 30 and name HB+ ) 4.37 4.37 0.00 peak 96 assign ( resid 28 and name HD2 ) ( resid 30 and name HG+ ) 3.57 3.57 0.00 peak 33 assign ( resid 29 and name HN ) ( resid 29 and name HB+ ) 3.56 3.56 0.00 peak 3 assign ( resid 29 and name HB+ ) ( resid 30 and name HN ) 4.33 4.33 0.00 peak 187 assign ( resid 30 and name HA ) ( resid 30 and name HD+ ) 4.07 4.07 0.00 peak 692 assign ( resid 30 and name HB+ ) ( resid 31 and name HN ) 3.97 3.97 0.00 peak 291 assign ( resid 31 and name HN ) ( resid 31 and name HG++ ) 3.28 3.28 0.00 peak 292 assign ( resid 31 and name HG++ ) ( resid 32 and name HN ) 4.11 4.11 0.00 peak 92 assign ( resid 31 and name HG++ ) ( resid 34 and name HD+ ) 4.62 4.62 0.00 peak 918 assign ( resid 31 and name HG++ ) ( resid 34 and name HE+ ) 4.28 4.28 0.00 peak 90 assign ( resid 32 and name HA ) ( resid 35 and name HB+ ) 4.13 4.13 0.00 peak 522 assign ( resid 32 and name HG2+ ) ( resid 36 and name HG+ ) 3.91 3.91 0.00 peak 451 assign ( resid 32 and name HG2+ ) ( resid 36 and name HE2+ ) 3.47 3.47 0.00 peak 478 assign ( resid 33 and name HN ) ( resid 33 and name HB+ ) 3.23 3.23 0.00 peak 458 assign ( resid 33 and name HB+ ) ( resid 34 and name HN ) 3.87 3.87 0.00 peak 13 assign ( resid 34 and name HN ) ( resid 34 and name HB+ ) 3.33 3.33 0.00 peak 15 assign ( resid 35 and name HA ) ( resid 38 and name HB+ ) 3.96 3.96 0.00 peak 796 assign ( resid 35 and name HA ) ( resid 38 and name HD++ ) 5.32 5.32 0.00 peak 1132 assign ( resid 35 and name HB+ ) ( resid 36 and name HN ) 4.01 4.01 0.00 peak 171 assign ( resid 36 and name HN ) ( resid 36 and name HG+ ) 3.51 3.51 0.00 peak 531 assign ( resid 36 and name HA ) ( resid 36 and name HG+ ) 3.39 3.39 0.00 peak 503 assign ( resid 36 and name HA ) ( resid 39 and name HB+ ) 3.53 3.53 0.00 peak 509 assign ( resid 36 and name HB+ ) ( resid 37 and name HN ) 3.56 3.56 0.00 peak 770 assign ( resid 36 and name HB+ ) ( resid 38 and name HN ) 5.18 5.18 0.00 peak 513 assign ( resid 36 and name HG+ ) ( resid 36 and name HE2+ ) 3.16 3.16 0.00 peak 162 assign ( resid 37 and name HN ) ( resid 37 and name HB+ ) 3.35 3.35 0.00 peak 187 assign ( resid 37 and name HN ) ( resid 37 and name HG+ ) 3.96 3.96 0.00 peak 70 assign ( resid 37 and name HA ) ( resid 37 and name HG+ ) 3.67 3.67 0.00 peak 496 assign ( resid 38 and name HN ) ( resid 38 and name HB+ ) 3.32 3.32 0.00 peak 508 assign ( resid 38 and name HA ) ( resid 38 and name HD++ ) 4.22 4.22 0.00 peak 866 assign ( resid 38 and name HA ) ( resid 41 and name HD++ ) 3.97 3.97 0.00 peak 534 assign ( resid 38 and name HB+ ) ( resid 39 and name HN ) 3.63 3.63 0.00 peak 348 assign ( resid 38 and name HD++ ) ( resid 39 and name HN ) 4.10 4.10 0.00 peak 349 assign ( resid 38 and name HD++ ) ( resid 41 and name HN ) 4.96 4.96 0.00 peak 691 assign ( resid 38 and name HD++ ) ( resid 42 and name HN ) 4.25 4.25 0.00 peak 695 assign ( resid 39 and name HA ) ( resid 42 and name HD++ ) 3.52 3.52 0.00 peak 277 assign ( resid 39 and name HB+ ) ( resid 40 and name HN ) 3.68 3.68 0.00 peak 111 assign ( resid 39 and name HB+ ) ( resid 40 and name HA ) 4.94 4.94 0.00 peak 545 assign ( resid 40 and name HN ) ( resid 40 and name HG+ ) 4.45 4.45 0.00 peak 315 assign ( resid 40 and name HA ) ( resid 43 and name HB+ ) 4.15 4.15 0.00 peak 1308 assign ( resid 40 and name HB+ ) ( resid 40 and name HD+ ) 3.31 3.31 0.00 peak 931 assign ( resid 40 and name HB+ ) ( resid 42 and name HN ) 5.34 5.34 0.00 peak 281 assign ( resid 41 and name HN ) ( resid 41 and name HB+ ) 3.60 3.60 0.00 peak 234 assign ( resid 41 and name HN ) ( resid 41 and name HD++ ) 3.74 3.74 0.00 peak 237 assign ( resid 41 and name HA ) ( resid 41 and name HD++ ) 3.20 3.20 0.00 peak 995 assign ( resid 41 and name HB+ ) ( resid 42 and name HN ) 3.70 3.70 0.00 peak 280 assign ( resid 41 and name HB+ ) ( resid 42 and name HA ) 4.77 4.77 0.00 peak 210 assign ( resid 41 and name HB+ ) ( resid 44 and name HD1+ ) 5.16 5.16 0.00 peak 1127 assign ( resid 41 and name HD++ ) ( resid 42 and name HN ) 4.77 4.77 0.00 peak 269 assign ( resid 42 and name HN ) ( resid 42 and name HB+ ) 3.53 3.53 0.00 peak 286 assign ( resid 42 and name HN ) ( resid 42 and name HD++ ) 4.26 4.26 0.00 peak 558 assign ( resid 42 and name HN ) ( resid 45 and name HD++ ) 5.44 5.44 0.00 peak 269 assign ( resid 42 and name HA ) ( resid 45 and name HD++ ) 3.22 3.22 0.00 peak 212 assign ( resid 42 and name HB+ ) ( resid 43 and name HN ) 3.57 3.57 0.00 peak 144 assign ( resid 42 and name HB+ ) ( resid 45 and name HD++ ) 4.30 4.30 0.00 peak 321 assign ( resid 42 and name HD++ ) ( resid 43 and name HN ) 4.00 4.00 0.00 peak 525 assign ( resid 42 and name HD++ ) ( resid 43 and name HD2+ ) 4.68 4.68 0.00 peak 775 assign ( resid 43 and name HN ) ( resid 43 and name HD2+ ) 4.17 4.17 0.00 peak 607 assign ( resid 43 and name HA ) ( resid 43 and name HD2+ ) 3.78 3.78 0.00 peak 583 assign ( resid 43 and name HB+ ) ( resid 43 and name HD2+ ) 3.16 3.16 0.00 peak 160 assign ( resid 43 and name HB+ ) ( resid 44 and name HN ) 3.64 3.64 0.00 peak 51 assign ( resid 43 and name HB+ ) ( resid 45 and name HN ) 5.34 5.34 0.00 peak 186 assign ( resid 43 and name HB+ ) ( resid 46 and name HD1+ ) 4.34 4.34 0.00 peak 945 assign ( resid 43 and name HD2+ ) ( resid 46 and name HG2+ ) 5.21 5.21 0.00 peak 775 assign ( resid 43 and name HD2+ ) ( resid 46 and name HD1+ ) 4.43 4.43 0.00 peak 776 assign ( resid 44 and name HA ) ( resid 47 and name HB+ ) 3.78 3.78 0.00 peak 252 assign ( resid 45 and name HN ) ( resid 45 and name HD++ ) 3.76 3.76 0.00 peak 250 assign ( resid 45 and name HA ) ( resid 45 and name HD++ ) 3.38 3.38 0.00 peak 212 assign ( resid 45 and name HB+ ) ( resid 46 and name HN ) 4.10 4.10 0.00 peak 241 assign ( resid 46 and name HN ) ( resid 46 and name HG1+ ) 3.56 3.56 0.00 peak 373 assign ( resid 46 and name HG2+ ) ( resid 46 and name HG1+ ) 3.26 3.26 0.00 peak 1361 assign ( resid 46 and name HG2+ ) ( resid 47 and name HB+ ) 4.57 4.57 0.00 peak 495 assign ( resid 47 and name HN ) ( resid 47 and name HB+ ) 3.17 3.17 0.00 peak 83 assign ( resid 47 and name HN ) ( resid 47 and name HG+ ) 4.46 4.46 0.00 peak 37 assign ( resid 47 and name HB+ ) ( resid 48 and name HN ) 3.87 3.87 0.00 peak 297 assign ( resid 48 and name HN ) ( resid 48 and name HB+ ) 3.25 3.25 0.00 peak 298 assign ( resid 48 and name HN ) ( resid 48 and name HD++ ) 4.19 4.19 0.00 peak 863 assign ( resid 48 and name HA ) ( resid 48 and name HD++ ) 2.88 2.88 0.00 peak 19 assign ( resid 48 and name HB+ ) ( resid 49 and name HN ) 3.96 3.96 0.00 peak 584 assign ( resid 48 and name HD++ ) ( resid 49 and name HN ) 4.80 4.80 0.00 peak 362 assign ( resid 48 and name HD++ ) ( resid 51 and name HB+ ) 4.16 4.16 0.00 peak 725 assign ( resid 48 and name HD++ ) ( resid 51 and name HG+ ) 4.33 4.33 0.00 peak 1186 assign ( resid 48 and name HD++ ) ( resid 51 and name HD+ ) 4.10 4.10 0.00 peak 1187 assign ( resid 49 and name HN ) ( resid 49 and name HB+ ) 3.58 3.58 0.00 peak 366 assign ( resid 49 and name HN ) ( resid 49 and name HG+ ) 4.18 4.18 0.00 peak 361 assign ( resid 49 and name HB+ ) ( resid 50 and name HN ) 3.91 3.91 0.00 peak 465 assign ( resid 49 and name HB+ ) ( resid 50 and name HA ) 4.17 4.17 0.00 peak 798 assign ( resid 51 and name HN ) ( resid 51 and name HB+ ) 3.18 3.18 0.00 peak 57 assign ( resid 51 and name HN ) ( resid 51 and name HG+ ) 4.01 4.01 0.00 peak 64 assign ( resid 51 and name HN ) ( resid 51 and name HD+ ) 4.78 4.78 0.00 peak 58 assign ( resid 51 and name HN ) ( resid 53 and name HG+ ) 4.89 4.89 0.00 peak 59 assign ( resid 51 and name HA ) ( resid 53 and name HG+ ) 4.21 4.21 0.00 peak 69 assign ( resid 51 and name HB+ ) ( resid 52 and name HN ) 3.39 3.39 0.00 peak 83 assign ( resid 51 and name HB+ ) ( resid 53 and name HN ) 3.61 3.61 0.00 peak 44 assign ( resid 51 and name HB+ ) ( resid 53 and name HG+ ) 3.12 3.12 0.00 peak 126 assign ( resid 51 and name HB+ ) ( resid 54 and name HN ) 4.83 4.83 0.00 peak 59 assign ( resid 52 and name HN ) ( resid 53 and name HG+ ) 4.55 4.55 0.00 peak 1222 assign ( resid 52 and name HA ) ( resid 57 and name HD++ ) 3.31 3.31 0.00 peak 38 assign ( resid 52 and name HB2 ) ( resid 52 and name HE+ ) 4.67 4.67 0.00 peak 1235 assign ( resid 52 and name HB2 ) ( resid 57 and name HD++ ) 3.53 3.53 0.00 peak 40 assign ( resid 52 and name HB1 ) ( resid 57 and name HD++ ) 4.02 4.02 0.00 peak 40 assign ( resid 52 and name HG2 ) ( resid 57 and name HD++ ) 5.44 5.44 0.00 peak 1213 assign ( resid 52 and name HG1 ) ( resid 57 and name HD++ ) 5.44 5.44 0.00 peak 1213 assign ( resid 52 and name HD+ ) ( resid 57 and name HD++ ) 3.80 3.80 0.00 peak 1227 assign ( resid 53 and name HN ) ( resid 53 and name HG+ ) 3.82 3.82 0.00 peak 106 assign ( resid 53 and name HN ) ( resid 53 and name HD+ ) 4.64 4.64 0.00 peak 112 assign ( resid 53 and name HB2 ) ( resid 53 and name HE+ ) 4.38 4.38 0.00 peak 722 assign ( resid 53 and name HG+ ) ( resid 53 and name HD+ ) 2.36 2.36 0.00 peak 72 assign ( resid 53 and name HG+ ) ( resid 54 and name HN ) 4.28 4.28 0.00 peak 161 assign ( resid 53 and name HE+ ) ( resid 54 and name HA ) 5.34 5.34 0.00 peak 802 assign ( resid 54 and name HN ) ( resid 54 and name HB+ ) 3.05 3.05 0.00 peak 163 assign ( resid 54 and name HN ) ( resid 54 and name HG+ ) 3.64 3.64 0.00 peak 164 assign ( resid 54 and name HA ) ( resid 54 and name HG+ ) 3.69 3.69 0.00 peak 704 assign ( resid 54 and name HA ) ( resid 54 and name HD+ ) 4.53 4.53 0.00 peak 512 assign ( resid 54 and name HB+ ) ( resid 54 and name HD+ ) 3.33 3.33 0.00 peak 106 assign ( resid 54 and name HB+ ) ( resid 55 and name HN ) 3.58 3.58 0.00 peak 210 assign ( resid 55 and name HN ) ( resid 55 and name HB+ ) 3.19 3.19 0.00 peak 209 assign ( resid 55 and name HA ) ( resid 58 and name HD++ ) 4.17 4.17 0.00 peak 824 assign ( resid 55 and name HB+ ) ( resid 56 and name HN ) 4.31 4.31 0.00 peak 588 assign ( resid 55 and name HD+ ) ( resid 58 and name HD++ ) 4.39 4.39 0.00 peak 81 assign ( resid 56 and name HN ) ( resid 56 and name HB+ ) 3.51 3.51 0.00 peak 430 assign ( resid 56 and name HB+ ) ( resid 57 and name HN ) 4.12 4.12 0.00 peak 27 assign ( resid 57 and name HN ) ( resid 57 and name HB+ ) 2.99 2.99 0.00 peak 28 assign ( resid 57 and name HN ) ( resid 57 and name HD++ ) 3.89 3.89 0.00 peak 655 assign ( resid 57 and name HN ) ( resid 58 and name HD++ ) 5.00 5.00 0.00 peak 190 assign ( resid 57 and name HA ) ( resid 57 and name HD++ ) 3.00 3.00 0.00 peak 13 assign ( resid 57 and name HB+ ) ( resid 58 and name HN ) 3.73 3.73 0.00 peak 571 assign ( resid 57 and name HD++ ) ( resid 58 and name HN ) 4.92 4.92 0.00 peak 68 assign ( resid 58 and name HN ) ( resid 59 and name HG+ ) 4.33 4.33 0.00 peak 492 assign ( resid 58 and name HA ) ( resid 58 and name HD++ ) 3.06 3.06 0.00 peak 664 assign ( resid 58 and name HB2 ) ( resid 59 and name HG+ ) 4.13 4.13 0.00 peak 880 assign ( resid 58 and name HD++ ) ( resid 59 and name HN ) 4.21 4.21 0.00 peak 658 assign ( resid 58 and name HD++ ) ( resid 59 and name HG+ ) 4.30 4.30 0.00 peak 740 assign ( resid 59 and name HN ) ( resid 59 and name HB+ ) 3.13 3.13 0.00 peak 89 assign ( resid 59 and name HN ) ( resid 59 and name HG+ ) 3.32 3.32 0.00 peak 88 assign ( resid 61 and name HN ) ( resid 61 and name HB+ ) 3.69 3.69 0.00 peak 314
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