NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20774 |
2ghf   |
7034 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 40 and name HB1 ) ( resid 41 and name HN ) 3.86 3.86 0.00 peak 1 assign ( resid 30 and name HN ) ( resid 33 and name HN ) 4.80 4.80 0.00 peak 2 assign ( resid 33 and name HN ) ( resid 33 and name HG2 ) 3.77 3.77 0.00 peak 4 assign ( resid 19 and name HA ) ( resid 20 and name HN ) 2.91 2.91 0.00 peak 6 assign ( resid 66 and name HN ) ( resid 67 and name HN ) 3.13 3.13 0.00 peak 8 assign ( resid 70 and name HN ) ( resid 71 and name HN ) 3.16 3.16 0.00 peak 9 assign ( resid 94 and name HN ) ( resid 94 and name HB+ ) 3.36 3.36 0.00 peak 10 assign ( resid 95 and name HA ) ( resid 96 and name HN ) 2.92 2.92 0.00 peak 11 assign ( resid 72 and name HG2 ) ( resid 73 and name HN ) 3.88 3.88 0.00 peak 12 assign ( resid 44 and name HB+ ) ( resid 45 and name HN ) 4.14 4.14 0.00 peak 13 assign ( resid 57 and name HA ) ( resid 58 and name HN ) 2.86 2.86 0.00 peak 17 assign ( resid 91 and name HN ) ( resid 91 and name HB ) 3.57 3.57 0.00 peak 19 assign ( resid 98 and name HN ) ( resid 98 and name HB1 ) 3.38 3.38 0.00 peak 20 assign ( resid 93 and name HB1 ) ( resid 94 and name HN ) 3.90 3.90 0.00 peak 21 assign ( resid 31 and name HN ) ( resid 31 and name HB1 ) 3.40 3.40 0.00 peak 25 assign ( resid 41 and name HN ) ( resid 41 and name HB+ ) 3.59 3.59 0.00 peak 26 assign ( resid 92 and name HN ) ( resid 92 and name HB ) 3.81 3.81 0.00 peak 30 assign ( resid 53 and name HA ) ( resid 56 and name HN ) 4.27 4.27 0.00 peak 31 assign ( resid 87 and name HN ) ( resid 87 and name HB2 ) 3.06 3.06 0.00 peak 33 assign ( resid 96 and name HB ) ( resid 97 and name HN ) 3.25 3.25 0.00 peak 34 assign ( resid 18 and name HA2 ) ( resid 19 and name HN ) 3.20 3.20 0.00 peak 35 assign ( resid 79 and name HN ) ( resid 79 and name HD21 ) 3.54 3.54 0.00 peak 39 assign ( resid 71 and name HN ) ( resid 72 and name HN ) 2.87 2.87 0.00 peak 41 assign ( resid 69 and name HN ) ( resid 69 and name HA ) 2.88 2.88 0.00 peak 42 assign ( resid 94 and name HG2 ) ( resid 95 and name HN ) 4.56 4.56 0.00 peak 43 assign ( resid 27 and name HA ) ( resid 28 and name HN ) 2.48 2.48 0.00 peak 44 assign ( resid 89 and name HB2 ) ( resid 90 and name HN ) 3.49 3.49 0.00 peak 46 assign ( resid 99 and name HN ) ( resid 99 and name HB1 ) 3.44 3.44 0.00 peak 47 assign ( resid 66 and name HN ) ( resid 66 and name HB2 ) 3.26 3.26 0.00 peak 50 assign ( resid 65 and name HN ) ( resid 65 and name HB+ ) 2.53 2.53 0.00 peak 52 assign ( resid 77 and name HN ) ( resid 77 and name HA ) 2.90 2.90 0.00 peak 56 assign ( resid 28 and name HG2+ ) ( resid 32 and name HN ) 5.50 5.50 0.00 peak 58 assign ( resid 31 and name HG ) ( resid 32 and name HN ) 5.50 5.50 0.00 peak 58 assign ( resid 57 and name HB1 ) ( resid 57 and name HD21 ) 3.17 3.17 0.00 peak 59 assign ( resid 33 and name HN ) ( resid 35 and name HN ) 4.46 4.46 0.00 peak 63 assign ( resid 79 and name HB1 ) ( resid 80 and name HN ) 4.04 4.04 0.00 peak 64 assign ( resid 83 and name HN ) ( resid 83 and name HB ) 3.60 3.60 0.00 peak 66 assign ( resid 32 and name HB1 ) ( resid 33 and name HN ) 3.31 3.31 0.00 peak 67 assign ( resid 18 and name HA1 ) ( resid 19 and name HN ) 2.85 2.85 0.00 peak 71 assign ( resid 79 and name HB2 ) ( resid 98 and name HD22 ) 2.77 2.77 0.00 peak 72 assign ( resid 68 and name HN ) ( resid 68 and name HB2 ) 2.93 2.93 0.00 peak 73 assign ( resid 96 and name HA ) ( resid 97 and name HN ) 2.62 2.62 0.00 peak 74 assign ( resid 40 and name HN ) ( resid 40 and name HB1 ) 2.98 2.98 0.00 peak 75 assign ( resid 97 and name HB ) ( resid 98 and name HN ) 3.54 3.54 0.00 peak 76 assign ( resid 57 and name HN ) ( resid 57 and name HB2 ) 3.09 3.09 0.00 peak 77 assign ( resid 79 and name HA ) ( resid 80 and name HN ) 2.40 2.40 0.00 peak 80 assign ( resid 79 and name HN ) ( resid 80 and name HN ) 3.60 3.60 0.00 peak 82 assign ( resid 38 and name HN ) ( resid 38 and name HB ) 3.00 3.00 0.00 peak 84 assign ( resid 66 and name HN ) ( resid 66 and name HD2+ ) 3.28 3.28 0.00 peak 85 assign ( resid 79 and name HA ) ( resid 79 and name HD21 ) 4.00 4.00 0.00 peak 86 assign ( resid 93 and name HA ) ( resid 94 and name HN ) 3.03 3.03 0.00 peak 87 assign ( resid 96 and name HN ) ( resid 96 and name HB ) 3.76 3.76 0.00 peak 89 assign ( resid 77 and name HG2 ) ( resid 78 and name HN ) 4.71 4.71 0.00 peak 91 assign ( resid 36 and name HN ) ( resid 37 and name HN ) 3.24 3.24 0.00 peak 92 assign ( resid 96 and name HG2+ ) ( resid 97 and name HN ) 2.91 2.91 0.00 peak 93 assign ( resid 56 and name HN ) ( resid 56 and name HB2 ) 3.00 3.00 0.00 peak 95 assign ( resid 77 and name HG1 ) ( resid 78 and name HN ) 4.71 4.71 0.00 peak 96 assign ( resid 89 and name HB1 ) ( resid 90 and name HN ) 3.65 3.65 0.00 peak 99 assign ( resid 32 and name HN ) ( resid 32 and name HD22 ) 5.50 5.50 0.00 peak 100 assign ( resid 32 and name HN ) ( resid 32 and name HB2 ) 3.53 3.53 0.00 peak 102 assign ( resid 35 and name HG2+ ) ( resid 36 and name HN ) 3.14 3.14 0.00 peak 103 assign ( resid 96 and name HN ) ( resid 97 and name HN ) 4.75 4.75 0.00 peak 104 assign ( resid 98 and name HD21 ) ( resid 99 and name HN ) 4.38 4.38 0.00 peak 105 assign ( resid 86 and name HN ) ( resid 86 and name HB2 ) 3.10 3.10 0.00 peak 106 assign ( resid 82 and name HB+ ) ( resid 83 and name HN ) 3.30 3.30 0.00 peak 107 assign ( resid 66 and name HB2 ) ( resid 67 and name HN ) 3.14 3.14 0.00 peak 110 assign ( resid 90 and name HA ) ( resid 91 and name HN ) 2.59 2.59 0.00 peak 111 assign ( resid 65 and name HN ) ( resid 66 and name HN ) 3.00 3.00 0.00 peak 112 assign ( resid 39 and name HN ) ( resid 41 and name HN ) 4.29 4.29 0.00 peak 114 assign ( resid 29 and name HB1 ) ( resid 30 and name HN ) 4.56 4.56 0.00 peak 116 assign ( resid 35 and name HN ) ( resid 35 and name HB ) 3.19 3.19 0.00 peak 119 assign ( resid 66 and name HA ) ( resid 69 and name HN ) 3.41 3.41 0.00 peak 121 assign ( resid 84 and name HA ) ( resid 85 and name HN ) 3.50 3.50 0.00 peak 123 assign ( resid 39 and name HA ) ( resid 42 and name HN ) 4.52 4.52 0.00 peak 125 assign ( resid 60 and name HN ) ( resid 60 and name HB ) 3.83 3.83 0.00 peak 126 assign ( resid 35 and name HA ) ( resid 39 and name HN ) 4.29 4.29 0.00 peak 127 assign ( resid 91 and name HA ) ( resid 92 and name HN ) 2.65 2.65 0.00 peak 128 assign ( resid 72 and name HN ) ( resid 72 and name HG1 ) 3.21 3.21 0.00 peak 129 assign ( resid 86 and name HA ) ( resid 87 and name HN ) 2.66 2.66 0.00 peak 131 assign ( resid 66 and name HN ) ( resid 68 and name HN ) 4.14 4.14 0.00 peak 132 assign ( resid 86 and name HN ) ( resid 86 and name HB1 ) 3.19 3.19 0.00 peak 135 assign ( resid 85 and name HN ) ( resid 86 and name HN ) 3.88 3.88 0.00 peak 136 assign ( resid 38 and name HA ) ( resid 42 and name HN ) 2.94 2.94 0.00 peak 138 assign ( resid 19 and name HN ) ( resid 28 and name HG2+ ) 4.53 4.53 0.00 peak 140 assign ( resid 97 and name HB ) ( resid 100 and name HN ) 3.06 3.06 0.00 peak 143 assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 3.28 3.28 0.00 peak 143 assign ( resid 64 and name HA ) ( resid 66 and name HN ) 4.00 4.00 0.00 peak 144 assign ( resid 39 and name HN ) ( resid 39 and name HB1 ) 3.51 3.51 0.00 peak 148 assign ( resid 54 and name HA ) ( resid 57 and name HN ) 3.22 3.22 0.00 peak 151 assign ( resid 77 and name HA ) ( resid 78 and name HN ) 2.91 2.91 0.00 peak 154 assign ( resid 36 and name HN ) ( resid 36 and name HB1 ) 2.78 2.78 0.00 peak 155 assign ( resid 70 and name HA ) ( resid 73 and name HN ) 4.34 4.34 0.00 peak 157 assign ( resid 41 and name HN ) ( resid 42 and name HN ) 2.77 2.77 0.00 peak 158 assign ( resid 97 and name HB ) ( resid 101 and name HN ) 3.58 3.58 0.00 peak 159 assign ( resid 69 and name HN ) ( resid 69 and name HB1 ) 2.90 2.90 0.00 peak 161 assign ( resid 32 and name HN ) ( resid 35 and name HG2+ ) 4.78 4.78 0.00 peak 162 assign ( resid 93 and name HN ) ( resid 93 and name HB1 ) 3.85 3.85 0.00 peak 163 assign ( resid 32 and name HN ) ( resid 32 and name HD21 ) 4.70 4.70 0.00 peak 165 assign ( resid 86 and name HG+ ) ( resid 87 and name HN ) 3.30 3.30 0.00 peak 168 assign ( resid 31 and name HN ) ( resid 31 and name HD1+ ) 4.34 4.34 0.00 peak 169 assign ( resid 70 and name HA ) ( resid 74 and name HN ) 3.23 3.23 0.00 peak 170 assign ( resid 76 and name HN ) ( resid 77 and name HN ) 3.69 3.69 0.00 peak 173 assign ( resid 84 and name HN ) ( resid 85 and name HG2+ ) 3.79 3.79 0.00 peak 174 assign ( resid 45 and name HB ) ( resid 46 and name HN ) 4.68 4.68 0.00 peak 175 assign ( resid 35 and name HA ) ( resid 37 and name HN ) 5.32 5.32 0.00 peak 178 assign ( resid 45 and name HG1+ ) ( resid 46 and name HN ) 4.53 4.53 0.00 peak 179 assign ( resid 99 and name HB2 ) ( resid 100 and name HN ) 3.53 3.53 0.00 peak 180 assign ( resid 53 and name HN ) ( resid 53 and name HB2 ) 3.48 3.48 0.00 peak 181 assign ( resid 33 and name HN ) ( resid 33 and name HB1 ) 3.73 3.73 0.00 peak 182 assign ( resid 66 and name HA ) ( resid 68 and name HN ) 4.66 4.66 0.00 peak 183 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 3.67 3.67 0.00 peak 185 assign ( resid 95 and name HB+ ) ( resid 96 and name HN ) 3.99 3.99 0.00 peak 188 assign ( resid 65 and name HA ) ( resid 66 and name HN ) 3.55 3.55 0.00 peak 189 assign ( resid 86 and name HD+ ) ( resid 87 and name HN ) 4.00 4.00 0.00 peak 194 assign ( resid 34 and name HN ) ( resid 35 and name HG2+ ) 4.24 4.24 0.00 peak 195 assign ( resid 35 and name HG2+ ) ( resid 38 and name HN ) 5.03 5.03 0.00 peak 197 assign ( resid 94 and name HN ) ( resid 94 and name HG1 ) 3.57 3.57 0.00 peak 198 assign ( resid 77 and name HN ) ( resid 78 and name HN ) 4.51 4.51 0.00 peak 199 assign ( resid 31 and name HD1+ ) ( resid 34 and name HN ) 4.22 4.22 0.00 peak 202 assign ( resid 68 and name HN ) ( resid 69 and name HN ) 2.91 2.91 0.00 peak 203 assign ( resid 92 and name HA ) ( resid 93 and name HN ) 3.20 3.20 0.00 peak 208 assign ( resid 97 and name HN ) ( resid 97 and name HB ) 3.03 3.03 0.00 peak 209 assign ( resid 95 and name HN ) ( resid 95 and name HB+ ) 3.65 3.65 0.00 peak 212 assign ( resid 72 and name HN ) ( resid 72 and name HE+ ) 4.59 4.59 0.00 peak 214 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 4.24 4.24 0.00 peak 215 assign ( resid 72 and name HN ) ( resid 73 and name HN ) 2.91 2.91 0.00 peak 217 assign ( resid 30 and name HA ) ( resid 31 and name HN ) 2.92 2.92 0.00 peak 220 assign ( resid 74 and name HN ) ( resid 74 and name HB1 ) 3.85 3.85 0.00 peak 223 assign ( resid 32 and name HD21 ) ( resid 33 and name HN ) 4.57 4.57 0.00 peak 224 assign ( resid 71 and name HG ) ( resid 72 and name HN ) 3.06 3.06 0.00 peak 228 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 4.29 4.29 0.00 peak 229 assign ( resid 97 and name HN ) ( resid 97 and name HD1+ ) 3.35 3.35 0.00 peak 233 assign ( resid 78 and name HB1 ) ( resid 79 and name HN ) 4.48 4.48 0.00 peak 234 assign ( resid 67 and name HN ) ( resid 69 and name HN ) 3.83 3.83 0.00 peak 237 assign ( resid 94 and name HN ) ( resid 95 and name HN ) 4.59 4.59 0.00 peak 238 assign ( resid 68 and name HG2 ) ( resid 69 and name HN ) 4.33 4.33 0.00 peak 239 assign ( resid 32 and name HA ) ( resid 32 and name HD22 ) 4.52 4.52 0.00 peak 240 assign ( resid 79 and name HD21 ) ( resid 100 and name HG ) 5.50 5.50 0.00 peak 243 assign ( resid 36 and name HN ) ( resid 36 and name HA ) 2.92 2.92 0.00 peak 244 assign ( resid 90 and name HB1 ) ( resid 90 and name HE21 ) 3.94 3.94 0.00 peak 245 assign ( resid 30 and name HN ) ( resid 31 and name HN ) 4.31 4.31 0.00 peak 247 assign ( resid 81 and name HN ) ( resid 81 and name HG2 ) 3.80 3.80 0.00 peak 248 assign ( resid 50 and name HN ) ( resid 51 and name HN ) 4.49 4.49 0.00 peak 249 assign ( resid 85 and name HA ) ( resid 86 and name HN ) 2.40 2.40 0.00 peak 254 assign ( resid 32 and name HB1 ) ( resid 32 and name HD22 ) 3.81 3.81 0.00 peak 255 assign ( resid 32 and name HN ) ( resid 32 and name HB1 ) 3.59 3.59 0.00 peak 258 assign ( resid 66 and name HN ) ( resid 66 and name HG ) 4.07 4.07 0.00 peak 259 assign ( resid 57 and name HD21 ) ( resid 58 and name HN ) 4.57 4.57 0.00 peak 261 assign ( resid 53 and name HB2 ) ( resid 55 and name HN ) 4.92 4.92 0.00 peak 263 assign ( resid 53 and name HA ) ( resid 55 and name HN ) 3.64 3.64 0.00 peak 264 assign ( resid 35 and name HN ) ( resid 37 and name HN ) 4.68 4.68 0.00 peak 265 assign ( resid 32 and name HN ) ( resid 33 and name HN ) 3.74 3.74 0.00 peak 267 assign ( resid 53 and name HB1 ) ( resid 56 and name HN ) 3.68 3.68 0.00 peak 268 assign ( resid 57 and name HN ) ( resid 58 and name HB+ ) 4.61 4.61 0.00 peak 272 assign ( resid 100 and name HA ) ( resid 101 and name HN ) 3.11 3.11 0.00 peak 275 assign ( resid 79 and name HN ) ( resid 79 and name HB1 ) 4.10 4.10 0.00 peak 276 assign ( resid 94 and name HN ) ( resid 94 and name HG2 ) 3.49 3.49 0.00 peak 277 assign ( resid 38 and name HG1+ ) ( resid 39 and name HN ) 3.41 3.41 0.00 peak 278 assign ( resid 90 and name HN ) ( resid 90 and name HB1 ) 3.41 3.41 0.00 peak 280 assign ( resid 35 and name HN ) ( resid 35 and name HG2+ ) 3.12 3.12 0.00 peak 281 assign ( resid 85 and name HN ) ( resid 85 and name HG2+ ) 3.32 3.32 0.00 peak 283 assign ( resid 91 and name HB ) ( resid 92 and name HN ) 3.93 3.93 0.00 peak 285 assign ( resid 19 and name HN ) ( resid 19 and name HB2 ) 3.21 3.21 0.00 peak 286 assign ( resid 101 and name HB ) ( resid 102 and name HN ) 3.03 3.03 0.00 peak 287 assign ( resid 32 and name HA ) ( resid 35 and name HN ) 4.39 4.39 0.00 peak 292 assign ( resid 20 and name HN ) ( resid 20 and name HB1 ) 3.36 3.36 0.00 peak 295 assign ( resid 67 and name HN ) ( resid 68 and name HN ) 3.18 3.18 0.00 peak 300 assign ( resid 82 and name HA ) ( resid 83 and name HN ) 2.85 2.85 0.00 peak 302 assign ( resid 76 and name HA1 ) ( resid 77 and name HN ) 3.08 3.08 0.00 peak 303 assign ( resid 68 and name HN ) ( resid 68 and name HG2 ) 3.00 3.00 0.00 peak 304 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 4.78 4.78 0.00 peak 306 assign ( resid 31 and name HA ) ( resid 34 and name HN ) 3.56 3.56 0.00 peak 307 assign ( resid 95 and name HN ) ( resid 96 and name HN ) 4.24 4.24 0.00 peak 309 assign ( resid 71 and name HN ) ( resid 73 and name HN ) 3.79 3.79 0.00 peak 310 assign ( resid 53 and name HA ) ( resid 54 and name HN ) 3.22 3.22 0.00 peak 311 assign ( resid 54 and name HG2+ ) ( resid 56 and name HN ) 4.83 4.83 0.00 peak 314 assign ( resid 71 and name HN ) ( resid 71 and name HB2 ) 3.20 3.20 0.00 peak 317 assign ( resid 90 and name HB1 ) ( resid 90 and name HE22 ) 4.20 4.20 0.00 peak 318 assign ( resid 30 and name HB1 ) ( resid 33 and name HN ) 3.17 3.17 0.00 peak 321 assign ( resid 33 and name HN ) ( resid 33 and name HB2 ) 3.73 3.73 0.00 peak 321 assign ( resid 89 and name HA ) ( resid 89 and name HD22 ) 5.00 5.00 0.00 peak 322 assign ( resid 68 and name HG1 ) ( resid 69 and name HN ) 4.37 4.37 0.00 peak 323 assign ( resid 38 and name HG1+ ) ( resid 42 and name HN ) 3.89 3.89 0.00 peak 324 assign ( resid 97 and name HN ) ( resid 97 and name HG12 ) 3.70 3.70 0.00 peak 325 assign ( resid 50 and name HN ) ( resid 50 and name HB1 ) 3.67 3.67 0.00 peak 328 assign ( resid 29 and name HG+ ) ( resid 30 and name HN ) 3.23 3.23 0.00 peak 329 assign ( resid 101 and name HN ) ( resid 101 and name HG2+ ) 3.83 3.83 0.00 peak 330 assign ( resid 59 and name HN ) ( resid 59 and name HB2 ) 2.81 2.81 0.00 peak 331 assign ( resid 69 and name HN ) ( resid 69 and name HB2 ) 2.93 2.93 0.00 peak 332 assign ( resid 86 and name HG+ ) ( resid 92 and name HN ) 3.52 3.52 0.00 peak 333 assign ( resid 95 and name HG2 ) ( resid 96 and name HN ) 3.59 3.59 0.00 peak 334 assign ( resid 79 and name HB2 ) ( resid 79 and name HD22 ) 3.50 3.50 0.00 peak 338 assign ( resid 85 and name HN ) ( resid 85 and name HB ) 3.89 3.89 0.00 peak 342 assign ( resid 92 and name HG2+ ) ( resid 93 and name HN ) 3.72 3.72 0.00 peak 347 assign ( resid 92 and name HD1+ ) ( resid 93 and name HN ) 3.98 3.98 0.00 peak 347 assign ( resid 92 and name HB ) ( resid 93 and name HN ) 3.84 3.84 0.00 peak 349 assign ( resid 79 and name HB2 ) ( resid 79 and name HD21 ) 3.07 3.07 0.00 peak 350 assign ( resid 72 and name HB2 ) ( resid 73 and name HN ) 3.18 3.18 0.00 peak 351 assign ( resid 55 and name HN ) ( resid 57 and name HN ) 3.59 3.59 0.00 peak 352 assign ( resid 56 and name HN ) ( resid 57 and name HN ) 2.82 2.82 0.00 peak 354 assign ( resid 41 and name HG+ ) ( resid 42 and name HN ) 4.11 4.11 0.00 peak 355 assign ( resid 66 and name HD2+ ) ( resid 67 and name HN ) 4.55 4.55 0.00 peak 356 assign ( resid 97 and name HG2+ ) ( resid 98 and name HN ) 2.70 2.70 0.00 peak 359 assign ( resid 55 and name HN ) ( resid 56 and name HN ) 2.99 2.99 0.00 peak 360 assign ( resid 37 and name HA ) ( resid 38 and name HN ) 3.53 3.53 0.00 peak 361 assign ( resid 21 and name HN ) ( resid 21 and name HB1 ) 3.64 3.64 0.00 peak 362 assign ( resid 84 and name HB2 ) ( resid 85 and name HN ) 4.66 4.66 0.00 peak 363 assign ( resid 29 and name HA ) ( resid 30 and name HN ) 3.57 3.57 0.00 peak 364 assign ( resid 59 and name HD1+ ) ( resid 90 and name HE22 ) 3.65 3.65 0.00 peak 365 assign ( resid 20 and name HN ) ( resid 20 and name HB2 ) 3.36 3.36 0.00 peak 366 assign ( resid 38 and name HB ) ( resid 39 and name HN ) 3.25 3.25 0.00 peak 370 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 4.24 4.24 0.00 peak 372 assign ( resid 90 and name HG+ ) ( resid 90 and name HE21 ) 2.89 2.89 0.00 peak 373 assign ( resid 31 and name HN ) ( resid 32 and name HN ) 4.40 4.40 0.00 peak 377 assign ( resid 35 and name HA ) ( resid 36 and name HN ) 3.54 3.54 0.00 peak 380 assign ( resid 33 and name HA ) ( resid 36 and name HN ) 3.40 3.40 0.00 peak 384 assign ( resid 93 and name HN ) ( resid 94 and name HN ) 4.74 4.74 0.00 peak 386 assign ( resid 57 and name HN ) ( resid 57 and name HA ) 2.45 2.45 0.00 peak 391 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 3.19 3.19 0.00 peak 392 assign ( resid 54 and name HA ) ( resid 55 and name HN ) 3.57 3.57 0.00 peak 393 assign ( resid 80 and name HA ) ( resid 81 and name HN ) 2.67 2.67 0.00 peak 394 assign ( resid 31 and name HN ) ( resid 31 and name HB2 ) 3.35 3.35 0.00 peak 395 assign ( resid 36 and name HA ) ( resid 38 and name HN ) 4.33 4.33 0.00 peak 398 assign ( resid 37 and name HN ) ( resid 39 and name HN ) 4.65 4.65 0.00 peak 400 assign ( resid 70 and name HA ) ( resid 72 and name HN ) 4.48 4.48 0.00 peak 403 assign ( resid 64 and name HB+ ) ( resid 67 and name HN ) 4.84 4.84 0.00 peak 410 assign ( resid 32 and name HN ) ( resid 34 and name HN ) 4.13 4.13 0.00 peak 411 assign ( resid 84 and name HN ) ( resid 84 and name HG+ ) 4.14 4.14 0.00 peak 412 assign ( resid 97 and name HA ) ( resid 98 and name HN ) 2.52 2.52 0.00 peak 413 assign ( resid 36 and name HA ) ( resid 40 and name HN ) 4.66 4.66 0.00 peak 415 assign ( resid 84 and name HN ) ( resid 84 and name HB1 ) 3.83 3.83 0.00 peak 417 assign ( resid 78 and name HN ) ( resid 79 and name HN ) 3.84 3.84 0.00 peak 418 assign ( resid 68 and name HB2 ) ( resid 69 and name HN ) 3.50 3.50 0.00 peak 421 assign ( resid 94 and name HB+ ) ( resid 95 and name HN ) 3.80 3.80 0.00 peak 425 assign ( resid 77 and name HB+ ) ( resid 78 and name HN ) 3.19 3.19 0.00 peak 426 assign ( resid 100 and name HD1+ ) ( resid 101 and name HN ) 4.91 4.91 0.00 peak 427 assign ( resid 92 and name HN ) ( resid 92 and name HG11 ) 3.39 3.39 0.00 peak 428 assign ( resid 99 and name HN ) ( resid 100 and name HN ) 3.17 3.17 0.00 peak 429 assign ( resid 56 and name HB2 ) ( resid 58 and name HN ) 3.65 3.65 0.00 peak 430 assign ( resid 50 and name HA ) ( resid 51 and name HN ) 2.97 2.97 0.00 peak 434 assign ( resid 87 and name HN ) ( resid 87 and name HG+ ) 3.77 3.77 0.00 peak 437 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 4.41 4.41 0.00 peak 438 assign ( resid 37 and name HA ) ( resid 40 and name HN ) 3.76 3.76 0.00 peak 441 assign ( resid 68 and name HN ) ( resid 68 and name HG1 ) 3.09 3.09 0.00 peak 442 assign ( resid 90 and name HG+ ) ( resid 90 and name HE22 ) 3.32 3.32 0.00 peak 443 assign ( resid 69 and name HN ) ( resid 70 and name HN ) 3.16 3.16 0.00 peak 446 assign ( resid 69 and name HB1 ) ( resid 70 and name HN ) 3.35 3.35 0.00 peak 447 assign ( resid 98 and name HN ) ( resid 98 and name HD22 ) 3.86 3.86 0.00 peak 456 assign ( resid 81 and name HN ) ( resid 81 and name HB1 ) 3.11 3.11 0.00 peak 457 assign ( resid 71 and name HB1 ) ( resid 72 and name HN ) 2.92 2.92 0.00 peak 459 assign ( resid 54 and name HB ) ( resid 55 and name HN ) 3.21 3.21 0.00 peak 460 assign ( resid 31 and name HB2 ) ( resid 32 and name HN ) 4.18 4.18 0.00 peak 465 assign ( resid 21 and name HN ) ( resid 21 and name HB2 ) 3.70 3.70 0.00 peak 467 assign ( resid 38 and name HA ) ( resid 41 and name HN ) 3.69 3.69 0.00 peak 468 assign ( resid 29 and name HB2 ) ( resid 30 and name HN ) 3.92 3.92 0.00 peak 471 assign ( resid 71 and name HN ) ( resid 71 and name HB1 ) 2.77 2.77 0.00 peak 472 assign ( resid 101 and name HN ) ( resid 101 and name HB ) 3.31 3.31 0.00 peak 473 assign ( resid 59 and name HN ) ( resid 60 and name HG2+ ) 5.05 5.05 0.00 peak 474 assign ( resid 78 and name HN ) ( resid 78 and name HB1 ) 3.18 3.18 0.00 peak 476 assign ( resid 91 and name HN ) ( resid 91 and name HG2+ ) 3.46 3.46 0.00 peak 477 assign ( resid 42 and name HN ) ( resid 42 and name HB2 ) 3.43 3.43 0.00 peak 479 assign ( resid 40 and name HB2 ) ( resid 41 and name HN ) 3.86 3.86 0.00 peak 481 assign ( resid 53 and name HN ) ( resid 53 and name HB1 ) 3.46 3.46 0.00 peak 482 assign ( resid 56 and name HA ) ( resid 57 and name HN ) 3.40 3.40 0.00 peak 488 assign ( resid 53 and name HB1 ) ( resid 55 and name HN ) 4.52 4.52 0.00 peak 489 assign ( resid 22 and name HN ) ( resid 59 and name HN ) 4.81 4.81 0.00 peak 490 assign ( resid 100 and name HN ) ( resid 101 and name HN ) 3.19 3.19 0.00 peak 491 assign ( resid 54 and name HN ) ( resid 54 and name HB ) 3.49 3.49 0.00 peak 492 assign ( resid 45 and name HN ) ( resid 45 and name HG1+ ) 3.97 3.97 0.00 peak 493 assign ( resid 56 and name HN ) ( resid 56 and name HB1 ) 3.80 3.80 0.00 peak 494 assign ( resid 99 and name HB1 ) ( resid 100 and name HN ) 2.96 2.96 0.00 peak 495 assign ( resid 33 and name HA ) ( resid 35 and name HN ) 4.74 4.74 0.00 peak 496 assign ( resid 95 and name HN ) ( resid 95 and name HG1 ) 4.52 4.52 0.00 peak 497 assign ( resid 57 and name HN ) ( resid 58 and name HN ) 3.15 3.15 0.00 peak 498 assign ( resid 38 and name HN ) ( resid 39 and name HN ) 3.41 3.41 0.00 peak 501 assign ( resid 50 and name HB1 ) ( resid 51 and name HN ) 3.73 3.73 0.00 peak 504 assign ( resid 28 and name HN ) ( resid 28 and name HG2+ ) 2.70 2.70 0.00 peak 505 assign ( resid 55 and name HN ) ( resid 55 and name HG+ ) 2.74 2.74 0.00 peak 506 assign ( resid 64 and name HB+ ) ( resid 65 and name HN ) 3.41 3.41 0.00 peak 507 assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 3.10 3.10 0.00 peak 510 assign ( resid 67 and name HB2 ) ( resid 68 and name HN ) 3.37 3.37 0.00 peak 511 assign ( resid 53 and name HN ) ( resid 60 and name HG2+ ) 4.15 4.15 0.00 peak 514 assign ( resid 28 and name HN ) ( resid 28 and name HB ) 3.48 3.48 0.00 peak 516 assign ( resid 72 and name HG1 ) ( resid 73 and name HN ) 3.80 3.80 0.00 peak 517 assign ( resid 50 and name HB2 ) ( resid 51 and name HN ) 3.73 3.73 0.00 peak 518 assign ( resid 31 and name HN ) ( resid 31 and name HD2+ ) 3.52 3.52 0.00 peak 519 assign ( resid 33 and name HB2 ) ( resid 34 and name HN ) 4.04 4.04 0.00 peak 520 assign ( resid 83 and name HA ) ( resid 84 and name HN ) 3.17 3.17 0.00 peak 521 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 4.59 4.59 0.00 peak 522 assign ( resid 39 and name HN ) ( resid 39 and name HB2 ) 3.51 3.51 0.00 peak 523 assign ( resid 58 and name HN ) ( resid 58 and name HB+ ) 3.18 3.18 0.00 peak 525 assign ( resid 98 and name HA ) ( resid 99 and name HN ) 3.23 3.23 0.00 peak 527 assign ( resid 80 and name HB1 ) ( resid 81 and name HN ) 3.21 3.21 0.00 peak 528 assign ( resid 52 and name HA ) ( resid 53 and name HN ) 2.80 2.80 0.00 peak 530 assign ( resid 51 and name HN ) ( resid 51 and name HB+ ) 3.59 3.59 0.00 peak 532 assign ( resid 40 and name HN ) ( resid 42 and name HN ) 3.99 3.99 0.00 peak 533 assign ( resid 79 and name HN ) ( resid 79 and name HB2 ) 3.48 3.48 0.00 peak 534 assign ( resid 81 and name HN ) ( resid 81 and name HD+ ) 4.07 4.07 0.00 peak 535 assign ( resid 59 and name HN ) ( resid 60 and name HN ) 4.80 4.80 0.00 peak 536 assign ( resid 75 and name HB2 ) ( resid 76 and name HN ) 4.33 4.33 0.00 peak 537 assign ( resid 94 and name HA ) ( resid 95 and name HN ) 3.18 3.18 0.00 peak 540 assign ( resid 82 and name HN ) ( resid 83 and name HN ) 4.46 4.46 0.00 peak 541 assign ( resid 54 and name HA ) ( resid 57 and name HD21 ) 4.37 4.37 0.00 peak 542 assign ( resid 37 and name HN ) ( resid 37 and name HB1 ) 3.77 3.77 0.00 peak 544 assign ( resid 40 and name HN ) ( resid 41 and name HN ) 2.95 2.95 0.00 peak 545 assign ( resid 30 and name HB1 ) ( resid 31 and name HN ) 4.00 4.00 0.00 peak 549 assign ( resid 90 and name HG+ ) ( resid 91 and name HN ) 3.23 3.23 0.00 peak 552 assign ( resid 54 and name HN ) ( resid 55 and name HN ) 3.28 3.28 0.00 peak 554 assign ( resid 54 and name HN ) ( resid 54 and name HG2+ ) 2.97 2.97 0.00 peak 561 assign ( resid 17 and name HA1 ) ( resid 18 and name HN ) 3.24 3.24 0.00 peak 563 assign ( resid 73 and name HN ) ( resid 75 and name HD1 ) 4.30 4.30 0.00 peak 566 assign ( resid 27 and name HG1 ) ( resid 28 and name HN ) 3.28 3.28 0.00 peak 567 assign ( resid 64 and name HA ) ( resid 68 and name HN ) 3.81 3.81 0.00 peak 568 assign ( resid 58 and name HA ) ( resid 59 and name HN ) 2.50 2.50 0.00 peak 569 assign ( resid 84 and name HG+ ) ( resid 85 and name HN ) 4.71 4.71 0.00 peak 571 assign ( resid 39 and name HA ) ( resid 40 and name HN ) 3.51 3.51 0.00 peak 572 assign ( resid 74 and name HN ) ( resid 75 and name HD1 ) 3.56 3.56 0.00 peak 573 assign ( resid 73 and name HN ) ( resid 73 and name HB2 ) 3.13 3.13 0.00 peak 574 assign ( resid 69 and name HA ) ( resid 72 and name HN ) 3.74 3.74 0.00 peak 576 assign ( resid 39 and name HB1 ) ( resid 40 and name HN ) 4.23 4.23 0.00 peak 577 assign ( resid 81 and name HN ) ( resid 81 and name HG1 ) 3.91 3.91 0.00 peak 578 assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 4.04 4.04 0.00 peak 580 assign ( resid 32 and name HA ) ( resid 32 and name HD21 ) 4.53 4.53 0.00 peak 582 assign ( resid 31 and name HN ) ( resid 33 and name HN ) 4.59 4.59 0.00 peak 583 assign ( resid 73 and name HB2 ) ( resid 74 and name HN ) 3.40 3.40 0.00 peak 585 assign ( resid 97 and name HN ) ( resid 97 and name HG11 ) 3.33 3.33 0.00 peak 586 assign ( resid 75 and name HD1 ) ( resid 76 and name HN ) 5.50 5.50 0.00 peak 587 assign ( resid 90 and name HN ) ( resid 90 and name HA ) 2.92 2.92 0.00 peak 593 assign ( resid 73 and name HN ) ( resid 73 and name HB1 ) 3.65 3.65 0.00 peak 595 assign ( resid 98 and name HN ) ( resid 98 and name HD21 ) 3.79 3.79 0.00 peak 596 assign ( resid 69 and name HA ) ( resid 71 and name HN ) 4.02 4.02 0.00 peak 597 assign ( resid 89 and name HB2 ) ( resid 89 and name HD22 ) 3.82 3.82 0.00 peak 600 assign ( resid 73 and name HB1 ) ( resid 74 and name HN ) 3.35 3.35 0.00 peak 602 assign ( resid 73 and name HN ) ( resid 74 and name HN ) 2.84 2.84 0.00 peak 603 assign ( resid 69 and name HB2 ) ( resid 70 and name HN ) 3.70 3.70 0.00 peak 604 assign ( resid 36 and name HA ) ( resid 39 and name HN ) 3.87 3.87 0.00 peak 606 assign ( resid 40 and name HN ) ( resid 40 and name HB2 ) 2.98 2.98 0.00 peak 611 assign ( resid 64 and name HA ) ( resid 67 and name HN ) 3.26 3.26 0.00 peak 612 assign ( resid 31 and name HD2+ ) ( resid 34 and name HN ) 4.92 4.92 0.00 peak 614 assign ( resid 31 and name HN ) ( resid 31 and name HG ) 4.51 4.51 0.00 peak 617 assign ( resid 101 and name HN ) ( resid 102 and name HN ) 3.01 3.01 0.00 peak 619 assign ( resid 99 and name HN ) ( resid 99 and name HB2 ) 3.10 3.10 0.00 peak 625 assign ( resid 100 and name HN ) ( resid 100 and name HD1+ ) 3.34 3.34 0.00 peak 630 assign ( resid 100 and name HN ) ( resid 101 and name HA ) 4.81 4.81 0.00 peak 632 assign ( resid 98 and name HN ) ( resid 99 and name HB2 ) 4.03 4.03 0.00 peak 633 assign ( resid 98 and name HN ) ( resid 99 and name HN ) 3.60 3.60 0.00 peak 634 assign ( resid 97 and name HG2+ ) ( resid 98 and name HD21 ) 3.77 3.77 0.00 peak 635 assign ( resid 97 and name HG2+ ) ( resid 98 and name HD22 ) 3.67 3.67 0.00 peak 636 assign ( resid 98 and name HD21 ) ( resid 99 and name HB2 ) 3.95 3.95 0.00 peak 639 assign ( resid 79 and name HB1 ) ( resid 98 and name HD22 ) 4.22 4.22 0.00 peak 640 assign ( resid 95 and name HN ) ( resid 96 and name HG2+ ) 5.02 5.02 0.00 peak 645 assign ( resid 95 and name HN ) ( resid 96 and name HA ) 4.99 4.99 0.00 peak 646 assign ( resid 94 and name HN ) ( resid 95 and name HB+ ) 5.50 5.50 0.00 peak 647 assign ( resid 93 and name HN ) ( resid 93 and name HB2 ) 3.88 3.88 0.00 peak 649 assign ( resid 92 and name HG11 ) ( resid 93 and name HN ) 4.66 4.66 0.00 peak 650 assign ( resid 91 and name HN ) ( resid 92 and name HG11 ) 4.85 4.85 0.00 peak 653 assign ( resid 90 and name HB2 ) ( resid 91 and name HN ) 3.15 3.15 0.00 peak 658 assign ( resid 59 and name HD1+ ) ( resid 90 and name HE21 ) 3.93 3.93 0.00 peak 661 assign ( resid 89 and name HB1 ) ( resid 90 and name HE22 ) 4.07 4.07 0.00 peak 667 assign ( resid 89 and name HB2 ) ( resid 90 and name HE21 ) 4.24 4.24 0.00 peak 668 assign ( resid 89 and name HB1 ) ( resid 89 and name HD22 ) 4.07 4.07 0.00 peak 671 assign ( resid 86 and name HN ) ( resid 87 and name HG+ ) 4.09 4.09 0.00 peak 674 assign ( resid 86 and name HN ) ( resid 91 and name HA ) 3.91 3.91 0.00 peak 676 assign ( resid 85 and name HN ) ( resid 93 and name HA ) 4.05 4.05 0.00 peak 677 assign ( resid 92 and name HN ) ( resid 92 and name HD1+ ) 2.95 2.95 0.00 peak 680 assign ( resid 81 and name HG1 ) ( resid 82 and name HN ) 3.69 3.69 0.00 peak 683 assign ( resid 82 and name HN ) ( resid 82 and name HG ) 2.87 2.87 0.00 peak 686 assign ( resid 81 and name HE+ ) ( resid 82 and name HN ) 4.07 4.07 0.00 peak 687 assign ( resid 80 and name HN ) ( resid 80 and name HB1 ) 3.45 3.45 0.00 peak 689 assign ( resid 80 and name HN ) ( resid 80 and name HB2 ) 2.90 2.90 0.00 peak 690 assign ( resid 81 and name HN ) ( resid 82 and name HA ) 5.18 5.18 0.00 peak 692 assign ( resid 77 and name HB+ ) ( resid 79 and name HD22 ) 3.90 3.90 0.00 peak 693 assign ( resid 77 and name HB+ ) ( resid 79 and name HD21 ) 3.71 3.71 0.00 peak 694 assign ( resid 77 and name HB+ ) ( resid 79 and name HN ) 4.73 4.73 0.00 peak 695 assign ( resid 78 and name HB2 ) ( resid 79 and name HN ) 5.18 5.18 0.00 peak 695 assign ( resid 78 and name HG+ ) ( resid 79 and name HD22 ) 5.37 5.37 0.00 peak 698 assign ( resid 78 and name HG+ ) ( resid 79 and name HN ) 4.10 4.10 0.00 peak 700 assign ( resid 78 and name HN ) ( resid 78 and name HG+ ) 4.18 4.18 0.00 peak 701 assign ( resid 78 and name HN ) ( resid 79 and name HB2 ) 4.88 4.88 0.00 peak 703 assign ( resid 77 and name HN ) ( resid 78 and name HA ) 4.79 4.79 0.00 peak 705 assign ( resid 76 and name HN ) ( resid 77 and name HA ) 4.69 4.69 0.00 peak 706 assign ( resid 69 and name HB1 ) ( resid 74 and name HN ) 4.50 4.50 0.00 peak 709 assign ( resid 70 and name HB+ ) ( resid 74 and name HN ) 4.16 4.16 0.00 peak 710 assign ( resid 74 and name HN ) ( resid 74 and name HB2 ) 3.23 3.23 0.00 peak 711 assign ( resid 72 and name HN ) ( resid 72 and name HG2 ) 3.19 3.19 0.00 peak 714 assign ( resid 70 and name HN ) ( resid 71 and name HB1 ) 4.68 4.68 0.00 peak 715 assign ( resid 71 and name HN ) ( resid 72 and name HG1 ) 4.52 4.52 0.00 peak 716 assign ( resid 67 and name HB1 ) ( resid 68 and name HN ) 3.03 3.03 0.00 peak 721 assign ( resid 60 and name HG2+ ) ( resid 66 and name HN ) 3.34 3.34 0.00 peak 723 assign ( resid 66 and name HN ) ( resid 69 and name HB2 ) 4.48 4.48 0.00 peak 725 assign ( resid 66 and name HN ) ( resid 67 and name HB2 ) 4.26 4.26 0.00 peak 726 assign ( resid 65 and name HN ) ( resid 66 and name HD2+ ) 4.66 4.66 0.00 peak 730 assign ( resid 65 and name HN ) ( resid 66 and name HD1+ ) 4.66 4.66 0.00 peak 731 assign ( resid 15 and name HB ) ( resid 65 and name HN ) 4.94 4.94 0.00 peak 733 assign ( resid 14 and name HE+ ) ( resid 65 and name HN ) 4.47 4.47 0.00 peak 737 assign ( resid 60 and name HN ) ( resid 60 and name HG2+ ) 3.07 3.07 0.00 peak 738 assign ( resid 59 and name HA ) ( resid 60 and name HN ) 2.81 2.81 0.00 peak 739 assign ( resid 22 and name HB2 ) ( resid 60 and name HN ) 3.26 3.26 0.00 peak 741 assign ( resid 59 and name HB1 ) ( resid 60 and name HN ) 3.35 3.35 0.00 peak 742 assign ( resid 59 and name HD1+ ) ( resid 60 and name HN ) 4.72 4.72 0.00 peak 744 assign ( resid 59 and name HD2+ ) ( resid 60 and name HN ) 3.26 3.26 0.00 peak 745 assign ( resid 59 and name HN ) ( resid 59 and name HG ) 3.60 3.60 0.00 peak 748 assign ( resid 53 and name HB1 ) ( resid 58 and name HN ) 3.41 3.41 0.00 peak 752 assign ( resid 54 and name HA ) ( resid 58 and name HN ) 4.97 4.97 0.00 peak 753 assign ( resid 58 and name HN ) ( resid 59 and name HA ) 4.91 4.91 0.00 peak 755 assign ( resid 57 and name HA ) ( resid 57 and name HD21 ) 4.03 4.03 0.00 peak 762 assign ( resid 57 and name HA ) ( resid 57 and name HD22 ) 3.89 3.89 0.00 peak 763 assign ( resid 55 and name HB2 ) ( resid 56 and name HN ) 3.03 3.03 0.00 peak 766 assign ( resid 52 and name HN ) ( resid 92 and name HD1+ ) 3.34 3.34 0.00 peak 772 assign ( resid 52 and name HN ) ( resid 52 and name HG1+ ) 2.87 2.87 0.00 peak 773 assign ( resid 54 and name HG2+ ) ( resid 55 and name HN ) 3.39 3.39 0.00 peak 775 assign ( resid 55 and name HN ) ( resid 55 and name HB2 ) 2.78 2.78 0.00 peak 776 assign ( resid 55 and name HN ) ( resid 56 and name HB2 ) 5.17 5.17 0.00 peak 778 assign ( resid 54 and name HN ) ( resid 54 and name HG1+ ) 3.22 3.22 0.00 peak 780 assign ( resid 54 and name HN ) ( resid 96 and name HG2+ ) 3.87 3.87 0.00 peak 781 assign ( resid 52 and name HN ) ( resid 52 and name HB ) 3.29 3.29 0.00 peak 792 assign ( resid 51 and name HB+ ) ( resid 52 and name HN ) 3.37 3.37 0.00 peak 794 assign ( resid 51 and name HA ) ( resid 52 and name HN ) 2.75 2.75 0.00 peak 795 assign ( resid 50 and name HN ) ( resid 92 and name HB ) 3.85 3.85 0.00 peak 797 assign ( resid 67 and name HN ) ( resid 67 and name HB2 ) 2.74 2.74 0.00 peak 799 assign ( resid 49 and name HA ) ( resid 50 and name HN ) 3.00 3.00 0.00 peak 802 assign ( resid 41 and name HN ) ( resid 43 and name HD1 ) 3.96 3.96 0.00 peak 807 assign ( resid 41 and name HN ) ( resid 42 and name HA ) 5.06 5.06 0.00 peak 808 assign ( resid 39 and name HN ) ( resid 40 and name HB1 ) 5.18 5.18 0.00 peak 811 assign ( resid 39 and name HN ) ( resid 40 and name HB2 ) 5.18 5.18 0.00 peak 812 assign ( resid 39 and name HN ) ( resid 40 and name HA ) 5.31 5.31 0.00 peak 813 assign ( resid 38 and name HG2+ ) ( resid 39 and name HN ) 4.11 4.11 0.00 peak 814 assign ( resid 37 and name HN ) ( resid 37 and name HB2 ) 3.81 3.81 0.00 peak 815 assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 4.08 4.08 0.00 peak 816 assign ( resid 37 and name HB1 ) ( resid 38 and name HN ) 3.96 3.96 0.00 peak 819 assign ( resid 33 and name HN ) ( resid 33 and name HG1 ) 3.77 3.77 0.00 peak 824 assign ( resid 30 and name HB2 ) ( resid 33 and name HN ) 3.75 3.75 0.00 peak 826 assign ( resid 34 and name HN ) ( resid 34 and name HB+ ) 2.95 2.95 0.00 peak 828 assign ( resid 31 and name HD1+ ) ( resid 32 and name HN ) 4.41 4.41 0.00 peak 832 assign ( resid 31 and name HN ) ( resid 34 and name HB+ ) 4.22 4.22 0.00 peak 833 assign ( resid 30 and name HN ) ( resid 30 and name HB2 ) 3.01 3.01 0.00 peak 834 assign ( resid 29 and name HD2 ) ( resid 30 and name HN ) 3.52 3.52 0.00 peak 837 assign ( resid 28 and name HN ) ( resid 29 and name HD1 ) 4.48 4.48 0.00 peak 841 assign ( resid 27 and name HG2 ) ( resid 28 and name HN ) 3.41 3.41 0.00 peak 843 assign ( resid 21 and name HB2 ) ( resid 24 and name HN ) 3.06 3.06 0.00 peak 846 assign ( resid 23 and name HA ) ( resid 24 and name HN ) 3.19 3.19 0.00 peak 847 assign ( resid 23 and name HN ) ( resid 23 and name HB+ ) 3.46 3.46 0.00 peak 850 assign ( resid 21 and name HB2 ) ( resid 23 and name HN ) 4.08 4.08 0.00 peak 853 assign ( resid 21 and name HB1 ) ( resid 23 and name HN ) 4.21 4.21 0.00 peak 855 assign ( resid 20 and name HA ) ( resid 21 and name HN ) 3.37 3.37 0.00 peak 856 assign ( resid 15 and name HA ) ( resid 16 and name HN ) 3.13 3.13 0.00 peak 858 assign ( resid 16 and name HN ) ( resid 16 and name HB1 ) 3.93 3.93 0.00 peak 861 assign ( resid 15 and name HG2+ ) ( resid 16 and name HN ) 3.75 3.75 0.00 peak 862 assign ( resid 15 and name HN ) ( resid 15 and name HG1+ ) 4.33 4.33 0.00 peak 864 assign ( resid 100 and name HN ) ( resid 100 and name HG ) 2.64 2.64 0.00 peak 865 assign ( resid 52 and name HG1+ ) ( resid 95 and name HN ) 3.57 3.57 0.00 peak 866 assign ( resid 54 and name HG1+ ) ( resid 95 and name HN ) 4.19 4.19 0.00 peak 868 assign ( resid 54 and name HG2+ ) ( resid 95 and name HN ) 3.46 3.46 0.00 peak 869 assign ( resid 53 and name HA ) ( resid 95 and name HN ) 3.81 3.81 0.00 peak 871 assign ( resid 54 and name HN ) ( resid 96 and name HA ) 4.26 4.26 0.00 peak 873 assign ( resid 54 and name HN ) ( resid 94 and name HA ) 4.01 4.01 0.00 peak 874 assign ( resid 19 and name HE+ ) ( resid 31 and name HN ) 3.48 3.48 0.00 peak 876 assign ( resid 53 and name HN ) ( resid 58 and name HE+ ) 4.11 4.11 0.00 peak 881 assign ( resid 53 and name HN ) ( resid 58 and name HD+ ) 3.43 3.43 0.00 peak 882 assign ( resid 53 and name HN ) ( resid 57 and name HA ) 4.58 4.58 0.00 peak 885 assign ( resid 53 and name HN ) ( resid 56 and name HB2 ) 4.93 4.93 0.00 peak 886 assign ( resid 53 and name HN ) ( resid 58 and name HB+ ) 4.40 4.40 0.00 peak 890 assign ( resid 54 and name HN ) ( resid 95 and name HN ) 4.10 4.10 0.00 peak 895 assign ( resid 92 and name HD1+ ) ( resid 95 and name HN ) 5.35 5.35 0.00 peak 896 assign ( resid 100 and name HA ) ( resid 102 and name HN ) 3.48 3.48 0.00 peak 900 assign ( resid 51 and name HA ) ( resid 93 and name HN ) 3.87 3.87 0.00 peak 913 assign ( resid 59 and name HD2+ ) ( resid 93 and name HN ) 4.35 4.35 0.00 peak 914 assign ( resid 98 and name HN ) ( resid 99 and name HA ) 5.10 5.10 0.00 peak 924 assign ( resid 51 and name HD+ ) ( resid 66 and name HN ) 5.13 5.13 0.00 peak 942 assign ( resid 51 and name HB+ ) ( resid 66 and name HN ) 4.69 4.69 0.00 peak 948 assign ( resid 64 and name HB+ ) ( resid 66 and name HN ) 4.71 4.71 0.00 peak 950 assign ( resid 78 and name HN ) ( resid 79 and name HD22 ) 4.11 4.11 0.00 peak 953 assign ( resid 78 and name HN ) ( resid 79 and name HA ) 5.20 5.20 0.00 peak 954 assign ( resid 98 and name HD21 ) ( resid 100 and name HN ) 4.46 4.46 0.00 peak 956 assign ( resid 74 and name HB1 ) ( resid 100 and name HN ) 5.35 5.35 0.00 peak 961 assign ( resid 70 and name HB+ ) ( resid 100 and name HN ) 5.23 5.23 0.00 peak 962 assign ( resid 97 and name HG2+ ) ( resid 100 and name HN ) 3.99 3.99 0.00 peak 971 assign ( resid 85 and name HN ) ( resid 94 and name HN ) 4.23 4.23 0.00 peak 972 assign ( resid 82 and name HA ) ( resid 94 and name HN ) 4.95 4.95 0.00 peak 975 assign ( resid 83 and name HA ) ( resid 94 and name HN ) 4.77 4.77 0.00 peak 977 assign ( resid 84 and name HA ) ( resid 94 and name HN ) 3.72 3.72 0.00 peak 978 assign ( resid 83 and name HG2+ ) ( resid 94 and name HN ) 3.90 3.90 0.00 peak 983 assign ( resid 52 and name HG1+ ) ( resid 94 and name HN ) 4.25 4.25 0.00 peak 986 assign ( resid 30 and name HN ) ( resid 34 and name HN ) 4.57 4.57 0.00 peak 988 assign ( resid 34 and name HN ) ( resid 34 and name HD+ ) 4.16 4.16 0.00 peak 992 assign ( resid 19 and name HD+ ) ( resid 34 and name HN ) 4.19 4.19 0.00 peak 994 assign ( resid 28 and name HG2+ ) ( resid 34 and name HN ) 3.05 3.05 0.00 peak 997 assign ( resid 65 and name HN ) ( resid 68 and name HN ) 5.04 5.04 0.00 peak 999 assign ( resid 62 and name HD2 ) ( resid 65 and name HN ) 4.07 4.07 0.00 peak 1005 assign ( resid 62 and name HD1 ) ( resid 65 and name HN ) 4.07 4.07 0.00 peak 1006 assign ( resid 65 and name HN ) ( resid 68 and name HG1 ) 4.41 4.41 0.00 peak 1009 assign ( resid 97 and name HA ) ( resid 99 and name HN ) 4.11 4.11 0.00 peak 1011 assign ( resid 97 and name HB ) ( resid 99 and name HN ) 3.92 3.92 0.00 peak 1013 assign ( resid 79 and name HN ) ( resid 80 and name HD+ ) 4.40 4.40 0.00 peak 1015 assign ( resid 79 and name HN ) ( resid 97 and name HG2+ ) 4.16 4.16 0.00 peak 1021 assign ( resid 28 and name HB ) ( resid 30 and name HN ) 4.38 4.38 0.00 peak 1027 assign ( resid 18 and name HA1 ) ( resid 30 and name HN ) 5.09 5.09 0.00 peak 1029 assign ( resid 30 and name HN ) ( resid 33 and name HG1 ) 4.91 4.91 0.00 peak 1030 assign ( resid 28 and name HG2+ ) ( resid 30 and name HN ) 3.10 3.10 0.00 peak 1034 assign ( resid 55 and name HN ) ( resid 97 and name HN ) 4.96 4.96 0.00 peak 1035 assign ( resid 55 and name HG+ ) ( resid 97 and name HN ) 3.47 3.47 0.00 peak 1043 assign ( resid 81 and name HG2 ) ( resid 97 and name HN ) 4.89 4.89 0.00 peak 1048 assign ( resid 97 and name HN ) ( resid 101 and name HG2+ ) 4.24 4.24 0.00 peak 1049 assign ( resid 54 and name HG2+ ) ( resid 97 and name HN ) 4.25 4.25 0.00 peak 1051 assign ( resid 51 and name HN ) ( resid 51 and name HD+ ) 3.54 3.54 0.00 peak 1053 assign ( resid 51 and name HN ) ( resid 60 and name HG2+ ) 3.93 3.93 0.00 peak 1057 assign ( resid 51 and name HN ) ( resid 92 and name HG2+ ) 4.64 4.64 0.00 peak 1059 assign ( resid 64 and name HB+ ) ( resid 68 and name HN ) 4.54 4.54 0.00 peak 1072 assign ( resid 68 and name HN ) ( resid 71 and name HB1 ) 4.72 4.72 0.00 peak 1074 assign ( resid 75 and name HA ) ( resid 77 and name HN ) 3.83 3.83 0.00 peak 1088 assign ( resid 75 and name HB2 ) ( resid 77 and name HN ) 5.33 5.33 0.00 peak 1094 assign ( resid 70 and name HN ) ( resid 73 and name HN ) 4.72 4.72 0.00 peak 1100 assign ( resid 70 and name HN ) ( resid 70 and name HD22 ) 4.39 4.39 0.00 peak 1102 assign ( resid 70 and name HN ) ( resid 80 and name HD+ ) 4.17 4.17 0.00 peak 1105 assign ( resid 70 and name HN ) ( resid 80 and name HE+ ) 3.93 3.93 0.00 peak 1106 assign ( resid 70 and name HN ) ( resid 70 and name HD21 ) 4.34 4.34 0.00 peak 1107 assign ( resid 70 and name HN ) ( resid 74 and name HB2 ) 4.15 4.15 0.00 peak 1110 assign ( resid 70 and name HN ) ( resid 70 and name HB+ ) 3.07 3.07 0.00 peak 1111 assign ( resid 34 and name HN ) ( resid 36 and name HN ) 4.15 4.15 0.00 peak 1116 assign ( resid 36 and name HN ) ( resid 39 and name HN ) 5.01 5.01 0.00 peak 1117 assign ( resid 32 and name HA ) ( resid 36 and name HN ) 4.51 4.51 0.00 peak 1122 assign ( resid 36 and name HN ) ( resid 38 and name HB ) 4.67 4.67 0.00 peak 1131 assign ( resid 28 and name HG2+ ) ( resid 36 and name HN ) 5.25 5.25 0.00 peak 1132 assign ( resid 36 and name HD+ ) ( resid 37 and name HN ) 4.17 4.17 0.00 peak 1134 assign ( resid 33 and name HA ) ( resid 37 and name HN ) 4.24 4.24 0.00 peak 1135 assign ( resid 66 and name HN ) ( resid 69 and name HN ) 4.46 4.46 0.00 peak 1140 assign ( resid 69 and name HN ) ( resid 80 and name HE+ ) 4.50 4.50 0.00 peak 1145 assign ( resid 52 and name HN ) ( resid 95 and name HN ) 3.75 3.75 0.00 peak 1159 assign ( resid 52 and name HN ) ( resid 94 and name HN ) 4.78 4.78 0.00 peak 1160 assign ( resid 52 and name HN ) ( resid 59 and name HA ) 4.89 4.89 0.00 peak 1164 assign ( resid 52 and name HN ) ( resid 94 and name HA ) 3.41 3.41 0.00 peak 1166 assign ( resid 52 and name HN ) ( resid 93 and name HB2 ) 4.46 4.46 0.00 peak 1168 assign ( resid 52 and name HN ) ( resid 92 and name HB ) 4.75 4.75 0.00 peak 1172 assign ( resid 71 and name HN ) ( resid 80 and name HE+ ) 4.43 4.43 0.00 peak 1179 assign ( resid 70 and name HB+ ) ( resid 71 and name HN ) 3.94 3.94 0.00 peak 1183 assign ( resid 69 and name HB1 ) ( resid 71 and name HN ) 4.35 4.35 0.00 peak 1184 assign ( resid 68 and name HB2 ) ( resid 71 and name HN ) 5.15 5.15 0.00 peak 1186 assign ( resid 68 and name HB1 ) ( resid 71 and name HN ) 5.48 5.48 0.00 peak 1186 assign ( resid 33 and name HN ) ( resid 34 and name HN ) 3.23 3.23 0.00 peak 1188 assign ( resid 31 and name HA ) ( resid 33 and name HN ) 4.44 4.44 0.00 peak 1194 assign ( resid 28 and name HG2+ ) ( resid 33 and name HN ) 4.02 4.02 0.00 peak 1198 assign ( resid 55 and name HN ) ( resid 96 and name HA ) 3.85 3.85 0.00 peak 1205 assign ( resid 55 and name HN ) ( resid 96 and name HG2+ ) 3.58 3.58 0.00 peak 1209 assign ( resid 55 and name HN ) ( resid 97 and name HD1+ ) 5.00 5.00 0.00 peak 1211 assign ( resid 91 and name HN ) ( resid 92 and name HA ) 5.22 5.22 0.00 peak 1217 assign ( resid 80 and name HD+ ) ( resid 96 and name HN ) 3.96 3.96 0.00 peak 1220 assign ( resid 81 and name HE+ ) ( resid 96 and name HN ) 4.16 4.16 0.00 peak 1224 assign ( resid 81 and name HB1 ) ( resid 96 and name HN ) 4.26 4.26 0.00 peak 1227 assign ( resid 81 and name HG2 ) ( resid 96 and name HN ) 4.28 4.28 0.00 peak 1228 assign ( resid 81 and name HG1 ) ( resid 96 and name HN ) 4.18 4.18 0.00 peak 1229 assign ( resid 57 and name HN ) ( resid 57 and name HD22 ) 4.96 4.96 0.00 peak 1233 assign ( resid 53 and name HA ) ( resid 57 and name HN ) 4.97 4.97 0.00 peak 1235 assign ( resid 53 and name HB1 ) ( resid 57 and name HN ) 4.01 4.01 0.00 peak 1241 assign ( resid 52 and name HG2+ ) ( resid 57 and name HN ) 3.98 3.98 0.00 peak 1244 assign ( resid 86 and name HB1 ) ( resid 90 and name HN ) 4.02 4.02 0.00 peak 1255 assign ( resid 86 and name HG+ ) ( resid 90 and name HN ) 3.69 3.69 0.00 peak 1257 assign ( resid 78 and name HG+ ) ( resid 80 and name HN ) 4.46 4.46 0.00 peak 1272 assign ( resid 80 and name HN ) ( resid 97 and name HG2+ ) 4.46 4.46 0.00 peak 1284 assign ( resid 37 and name HA ) ( resid 41 and name HN ) 3.96 3.96 0.00 peak 1290 assign ( resid 36 and name HN ) ( resid 38 and name HN ) 3.88 3.88 0.00 peak 1294 assign ( resid 36 and name HD+ ) ( resid 38 and name HN ) 5.28 5.28 0.00 peak 1295 assign ( resid 36 and name HB1 ) ( resid 38 and name HN ) 4.77 4.77 0.00 peak 1302 assign ( resid 53 and name HN ) ( resid 58 and name HN ) 3.47 3.47 0.00 peak 1303 assign ( resid 56 and name HN ) ( resid 58 and name HN ) 4.02 4.02 0.00 peak 1305 assign ( resid 58 and name HN ) ( resid 58 and name HD+ ) 3.15 3.15 0.00 peak 1307 assign ( resid 52 and name HA ) ( resid 58 and name HN ) 4.31 4.31 0.00 peak 1308 assign ( resid 53 and name HA ) ( resid 58 and name HN ) 4.80 4.80 0.00 peak 1309 assign ( resid 70 and name HN ) ( resid 74 and name HN ) 4.21 4.21 0.00 peak 1316 assign ( resid 73 and name HD+ ) ( resid 74 and name HN ) 4.07 4.07 0.00 peak 1320 assign ( resid 74 and name HN ) ( resid 97 and name HD1+ ) 4.66 4.66 0.00 peak 1329 assign ( resid 35 and name HG2+ ) ( resid 39 and name HN ) 5.30 5.30 0.00 peak 1333 assign ( resid 27 and name HE21 ) ( resid 28 and name HN ) 4.26 4.26 0.00 peak 1341 assign ( resid 28 and name HN ) ( resid 34 and name HA ) 5.00 5.00 0.00 peak 1346 assign ( resid 18 and name HA1 ) ( resid 28 and name HN ) 4.27 4.27 0.00 peak 1348 assign ( resid 28 and name HN ) ( resid 34 and name HB+ ) 4.13 4.13 0.00 peak 1350 assign ( resid 19 and name HB2 ) ( resid 28 and name HN ) 3.46 3.46 0.00 peak 1352 assign ( resid 72 and name HN ) ( resid 73 and name HD+ ) 3.35 3.35 0.00 peak 1363 assign ( resid 72 and name HN ) ( resid 75 and name HD1 ) 4.92 4.92 0.00 peak 1368 assign ( resid 72 and name HN ) ( resid 73 and name HB2 ) 4.15 4.15 0.00 peak 1371 assign ( resid 68 and name HB2 ) ( resid 72 and name HN ) 4.67 4.67 0.00 peak 1372 assign ( resid 44 and name HN ) ( resid 44 and name HB+ ) 3.68 3.68 0.00 peak 1380 assign ( resid 43 and name HG2 ) ( resid 44 and name HN ) 4.25 4.25 0.00 peak 1381 assign ( resid 39 and name HN ) ( resid 42 and name HN ) 4.87 4.87 0.00 peak 1382 assign ( resid 42 and name HN ) ( resid 43 and name HA ) 4.87 4.87 0.00 peak 1390 assign ( resid 42 and name HN ) ( resid 43 and name HD1 ) 3.35 3.35 0.00 peak 1394 assign ( resid 99 and name HA ) ( resid 101 and name HN ) 3.69 3.69 0.00 peak 1404 assign ( resid 50 and name HN ) ( resid 93 and name HN ) 3.39 3.39 0.00 peak 1409 assign ( resid 50 and name HN ) ( resid 51 and name HD+ ) 4.67 4.67 0.00 peak 1413 assign ( resid 50 and name HN ) ( resid 93 and name HD+ ) 3.46 3.46 0.00 peak 1414 assign ( resid 50 and name HN ) ( resid 51 and name HA ) 4.82 4.82 0.00 peak 1417 assign ( resid 50 and name HN ) ( resid 92 and name HA ) 3.02 3.02 0.00 peak 1423 assign ( resid 67 and name HN ) ( resid 68 and name HG1 ) 4.57 4.57 0.00 peak 1430 assign ( resid 50 and name HN ) ( resid 92 and name HG2+ ) 3.09 3.09 0.00 peak 1436 assign ( resid 35 and name HN ) ( resid 38 and name HN ) 5.05 5.05 0.00 peak 1437 assign ( resid 34 and name HD+ ) ( resid 35 and name HN ) 3.57 3.57 0.00 peak 1439 assign ( resid 28 and name HG2+ ) ( resid 35 and name HN ) 4.42 4.42 0.00 peak 1443 assign ( resid 31 and name HD1+ ) ( resid 35 and name HN ) 3.84 3.84 0.00 peak 1445 assign ( resid 73 and name HN ) ( resid 73 and name HD+ ) 3.01 3.01 0.00 peak 1446 assign ( resid 73 and name HN ) ( resid 73 and name HE+ ) 4.18 4.18 0.00 peak 1447 assign ( resid 69 and name HB1 ) ( resid 73 and name HN ) 5.33 5.33 0.00 peak 1450 assign ( resid 71 and name HG ) ( resid 73 and name HN ) 4.91 4.91 0.00 peak 1453 assign ( resid 86 and name HA ) ( resid 89 and name HD21 ) 4.75 4.75 0.00 peak 1464 assign ( resid 86 and name HD+ ) ( resid 89 and name HD21 ) 4.13 4.13 0.00 peak 1470 assign ( resid 59 and name HD1+ ) ( resid 89 and name HD21 ) 5.50 5.50 0.00 peak 1472 assign ( resid 89 and name HD21 ) ( resid 92 and name HD1+ ) 5.50 5.50 0.00 peak 1472 assign ( resid 79 and name HD22 ) ( resid 98 and name HD22 ) 5.19 5.19 0.00 peak 1487 assign ( resid 79 and name HA ) ( resid 98 and name HD22 ) 4.72 4.72 0.00 peak 1493 assign ( resid 97 and name HA ) ( resid 98 and name HD22 ) 4.81 4.81 0.00 peak 1495 assign ( resid 98 and name HD22 ) ( resid 100 and name HD1+ ) 5.05 5.05 0.00 peak 1501 assign ( resid 98 and name HA ) ( resid 98 and name HD21 ) 3.66 3.66 0.00 peak 1517 assign ( resid 98 and name HD21 ) ( resid 99 and name HA ) 4.38 4.38 0.00 peak 1518 assign ( resid 80 and name HD+ ) ( resid 95 and name HE21 ) 4.00 4.00 0.00 peak 1553 assign ( resid 89 and name HD21 ) ( resid 90 and name HE22 ) 4.99 4.99 0.00 peak 1558 assign ( resid 90 and name HE22 ) ( resid 92 and name HG11 ) 5.18 5.18 0.00 peak 1566 assign ( resid 59 and name HD2+ ) ( resid 90 and name HE22 ) 4.82 4.82 0.00 peak 1567 assign ( resid 36 and name HD+ ) ( resid 40 and name HN ) 4.70 4.70 0.00 peak 1570 assign ( resid 40 and name HN ) ( resid 43 and name HD1 ) 4.92 4.92 0.00 peak 1571 assign ( resid 40 and name HN ) ( resid 41 and name HG+ ) 4.21 4.21 0.00 peak 1573 assign ( resid 38 and name HG1+ ) ( resid 40 and name HN ) 4.63 4.63 0.00 peak 1575 assign ( resid 20 and name HN ) ( resid 21 and name HN ) 4.35 4.35 0.00 peak 1576 assign ( resid 21 and name HN ) ( resid 27 and name HA ) 3.91 3.91 0.00 peak 1580 assign ( resid 21 and name HN ) ( resid 27 and name HB2 ) 4.52 4.52 0.00 peak 1582 assign ( resid 19 and name HN ) ( resid 34 and name HD+ ) 4.71 4.71 0.00 peak 1586 assign ( resid 19 and name HN ) ( resid 19 and name HD+ ) 3.52 3.52 0.00 peak 1587 assign ( resid 19 and name HN ) ( resid 28 and name HA ) 4.23 4.23 0.00 peak 1589 assign ( resid 19 and name HN ) ( resid 29 and name HA ) 3.07 3.07 0.00 peak 1590 assign ( resid 19 and name HN ) ( resid 29 and name HB1 ) 4.39 4.39 0.00 peak 1594 assign ( resid 19 and name HN ) ( resid 27 and name HB2 ) 4.91 4.91 0.00 peak 1596 assign ( resid 23 and name HN ) ( resid 23 and name HD+ ) 3.18 3.18 0.00 peak 1601 assign ( resid 23 and name HN ) ( resid 23 and name HE+ ) 4.10 4.10 0.00 peak 1602 assign ( resid 21 and name HA ) ( resid 23 and name HN ) 3.84 3.84 0.00 peak 1603 assign ( resid 22 and name HB1 ) ( resid 23 and name HN ) 3.87 3.87 0.00 peak 1605 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 2.65 2.65 0.00 peak 1606 assign ( resid 21 and name HB1 ) ( resid 24 and name HN ) 4.01 4.01 0.00 peak 1621 assign ( resid 18 and name HN ) ( resid 73 and name HE+ ) 4.71 4.71 0.00 peak 1628 assign ( resid 15 and name HG2+ ) ( resid 18 and name HN ) 5.00 5.00 0.00 peak 1631 assign ( resid 83 and name HN ) ( resid 96 and name HN ) 4.41 4.41 0.00 peak 1640 assign ( resid 83 and name HN ) ( resid 94 and name HN ) 3.55 3.55 0.00 peak 1641 assign ( resid 83 and name HN ) ( resid 95 and name HA ) 3.85 3.85 0.00 peak 1644 assign ( resid 83 and name HN ) ( resid 85 and name HG2+ ) 4.95 4.95 0.00 peak 1650 assign ( resid 91 and name HN ) ( resid 92 and name HN ) 4.32 4.32 0.00 peak 1651 assign ( resid 86 and name HE+ ) ( resid 92 and name HN ) 5.28 5.28 0.00 peak 1656 assign ( resid 90 and name HG+ ) ( resid 92 and name HN ) 4.16 4.16 0.00 peak 1657 assign ( resid 85 and name HN ) ( resid 86 and name HB2 ) 3.97 3.97 0.00 peak 1663 assign ( resid 86 and name HN ) ( resid 92 and name HN ) 4.01 4.01 0.00 peak 1666 assign ( resid 86 and name HN ) ( resid 92 and name HG11 ) 5.29 5.29 0.00 peak 1674 assign ( resid 86 and name HN ) ( resid 91 and name HG2+ ) 3.76 3.76 0.00 peak 1675 assign ( resid 53 and name HN ) ( resid 59 and name HN ) 5.16 5.16 0.00 peak 1686 assign ( resid 52 and name HA ) ( resid 59 and name HN ) 4.64 4.64 0.00 peak 1690 assign ( resid 80 and name HD+ ) ( resid 81 and name HN ) 3.01 3.01 0.00 peak 1699 assign ( resid 81 and name HN ) ( resid 97 and name HA ) 3.30 3.30 0.00 peak 1701 assign ( resid 81 and name HN ) ( resid 95 and name HG2 ) 3.96 3.96 0.00 peak 1706 assign ( resid 81 and name HN ) ( resid 95 and name HG1 ) 4.26 4.26 0.00 peak 1707 assign ( resid 81 and name HN ) ( resid 97 and name HG12 ) 4.99 4.99 0.00 peak 1708 assign ( resid 81 and name HN ) ( resid 97 and name HG11 ) 4.83 4.83 0.00 peak 1709 assign ( resid 81 and name HN ) ( resid 97 and name HG2+ ) 4.69 4.69 0.00 peak 1710 assign ( resid 51 and name HN ) ( resid 60 and name HN ) 3.79 3.79 0.00 peak 1712 assign ( resid 60 and name HN ) ( resid 65 and name HB+ ) 5.08 5.08 0.00 peak 1721 assign ( resid 70 and name HB+ ) ( resid 70 and name HD22 ) 3.98 3.98 0.00 peak 1727 assign ( resid 70 and name HD22 ) ( resid 80 and name HB2 ) 3.83 3.83 0.00 peak 1728 assign ( resid 70 and name HD21 ) ( resid 97 and name HG12 ) 4.22 4.22 0.00 peak 1737 assign ( resid 70 and name HD21 ) ( resid 100 and name HD1+ ) 4.29 4.29 0.00 peak 1739 assign ( resid 20 and name HN ) ( resid 27 and name HE22 ) 3.77 3.77 0.00 peak 1742 assign ( resid 27 and name HE22 ) ( resid 73 and name HE+ ) 3.87 3.87 0.00 peak 1753 assign ( resid 16 and name HA ) ( resid 27 and name HE22 ) 5.06 5.06 0.00 peak 1766 assign ( resid 15 and name HA ) ( resid 27 and name HE22 ) 4.10 4.10 0.00 peak 1767 assign ( resid 17 and name HA2 ) ( resid 27 and name HE22 ) 4.82 4.82 0.00 peak 1770 assign ( resid 18 and name HA1 ) ( resid 27 and name HE22 ) 4.41 4.41 0.00 peak 1773 assign ( resid 27 and name HG1 ) ( resid 27 and name HE22 ) 3.58 3.58 0.00 peak 1779 assign ( resid 15 and name HG2+ ) ( resid 27 and name HE22 ) 4.28 4.28 0.00 peak 1788 assign ( resid 20 and name HN ) ( resid 27 and name HE21 ) 4.15 4.15 0.00 peak 1791 assign ( resid 27 and name HE21 ) ( resid 73 and name HE+ ) 4.09 4.09 0.00 peak 1800 assign ( resid 27 and name HA ) ( resid 27 and name HE21 ) 4.68 4.68 0.00 peak 1811 assign ( resid 19 and name HA ) ( resid 27 and name HE21 ) 4.29 4.29 0.00 peak 1818 assign ( resid 15 and name HA ) ( resid 27 and name HE21 ) 4.74 4.74 0.00 peak 1819 assign ( resid 18 and name HA1 ) ( resid 27 and name HE21 ) 4.05 4.05 0.00 peak 1824 assign ( resid 27 and name HG2 ) ( resid 27 and name HE21 ) 3.34 3.34 0.00 peak 1828 assign ( resid 20 and name HB2 ) ( resid 27 and name HE21 ) 4.11 4.11 0.00 peak 1829 assign ( resid 27 and name HB2 ) ( resid 27 and name HE21 ) 3.94 3.94 0.00 peak 1830 assign ( resid 20 and name HB1 ) ( resid 27 and name HE21 ) 4.11 4.11 0.00 peak 1831 assign ( resid 15 and name HG2+ ) ( resid 27 and name HE21 ) 3.98 3.98 0.00 peak 1833 assign ( resid 52 and name HG1+ ) ( resid 57 and name HD21 ) 4.20 4.20 0.00 peak 1843 assign ( resid 89 and name HB1 ) ( resid 90 and name HE21 ) 4.38 4.38 0.00 peak 1855 assign ( resid 44 and name HB+ ) ( resid 44 and name HD22 ) 3.78 3.78 0.00 peak 1861 assign ( resid 44 and name HB+ ) ( resid 44 and name HD21 ) 3.78 3.78 0.00 peak 1864 assign ( resid 78 and name HN ) ( resid 79 and name HD21 ) 4.05 4.05 0.00 peak 1869 assign ( resid 79 and name HD21 ) ( resid 98 and name HD22 ) 4.05 4.05 0.00 peak 1870 assign ( resid 78 and name HA ) ( resid 79 and name HD21 ) 4.12 4.12 0.00 peak 1880 assign ( resid 77 and name HA ) ( resid 79 and name HD21 ) 4.44 4.44 0.00 peak 1883 assign ( resid 32 and name HD21 ) ( resid 33 and name HA ) 4.55 4.55 0.00 peak 1890 assign ( resid 79 and name HN ) ( resid 79 and name HD22 ) 4.60 4.60 0.00 peak 1891 assign ( resid 78 and name HA ) ( resid 79 and name HD22 ) 4.82 4.82 0.00 peak 1897 assign ( resid 54 and name HN ) ( resid 96 and name HN ) 5.27 5.27 0.00 peak 1906 assign ( resid 82 and name HN ) ( resid 96 and name HN ) 5.50 5.50 0.00 peak 1906 assign ( resid 80 and name HE+ ) ( resid 96 and name HN ) 4.42 4.42 0.00 peak 1909 assign ( resid 15 and name HG2+ ) ( resid 19 and name HN ) 5.50 5.50 0.00 peak 1934 assign ( resid 51 and name HD+ ) ( resid 52 and name HN ) 4.34 4.34 0.00 peak 1943 assign ( resid 53 and name HN ) ( resid 57 and name HN ) 4.81 4.81 0.00 peak 1944 assign ( resid 53 and name HN ) ( resid 59 and name HA ) 4.07 4.07 0.00 peak 1946 assign ( resid 81 and name HA ) ( resid 82 and name HN ) 2.74 2.74 0.00 peak 1950 assign ( resid 81 and name HB2 ) ( resid 82 and name HN ) 3.62 3.62 0.00 peak 1951 assign ( resid 51 and name HA ) ( resid 95 and name HN ) 5.50 5.50 0.00 peak 1952 assign ( resid 82 and name HA ) ( resid 95 and name HN ) 5.50 5.50 0.00 peak 1952 assign ( resid 81 and name HD+ ) ( resid 96 and name HN ) 4.12 4.12 0.00 peak 1954 assign ( resid 97 and name HN ) ( resid 99 and name HN ) 5.15 5.15 0.00 peak 1955 assign ( resid 30 and name HA ) ( resid 33 and name HN ) 4.41 4.41 0.00 peak 1956 assign ( resid 34 and name HN ) ( resid 35 and name HN ) 3.33 3.33 0.00 peak 1957 assign ( resid 34 and name HA ) ( resid 37 and name HN ) 4.33 4.33 0.00 peak 1959 assign ( resid 34 and name HA ) ( resid 38 and name HN ) 4.43 4.43 0.00 peak 1960 assign ( resid 22 and name HN ) ( resid 24 and name HN ) 4.26 4.26 0.00 peak 1961 assign ( resid 45 and name HN ) ( resid 45 and name HB ) 3.95 3.95 0.00 peak 1963 assign ( resid 53 and name HN ) ( resid 55 and name HN ) 5.46 5.46 0.00 peak 1965 assign ( resid 21 and name HN ) ( resid 24 and name HN ) 5.04 5.04 0.00 peak 1974 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 4.56 4.56 0.00 peak 1976 assign ( resid 22 and name HN ) ( resid 22 and name HG+ ) 4.57 4.57 0.00 peak 1978 assign ( resid 19 and name HE+ ) ( resid 32 and name HN ) 4.96 4.96 0.00 peak 1988 assign ( resid 31 and name HD2+ ) ( resid 32 and name HN ) 4.97 4.97 0.00 peak 1989 assign ( resid 31 and name HB1 ) ( resid 33 and name HN ) 5.11 5.11 0.00 peak 1991 assign ( resid 31 and name HD1+ ) ( resid 33 and name HN ) 5.03 5.03 0.00 peak 1992 assign ( resid 31 and name HN ) ( resid 34 and name HN ) 4.74 4.74 0.00 peak 1993 assign ( resid 31 and name HB1 ) ( resid 34 and name HN ) 5.38 5.38 0.00 peak 1996 assign ( resid 33 and name HN ) ( resid 36 and name HN ) 4.68 4.68 0.00 peak 1998 assign ( resid 31 and name HD1+ ) ( resid 36 and name HN ) 4.91 4.91 0.00 peak 1999 assign ( resid 39 and name HN ) ( resid 40 and name HN ) 3.26 3.26 0.00 peak 2003 assign ( resid 41 and name HB+ ) ( resid 42 and name HN ) 3.50 3.50 0.00 peak 2007 assign ( resid 67 and name HN ) ( resid 68 and name HG2 ) 4.42 4.42 0.00 peak 2010 assign ( resid 51 and name HN ) ( resid 93 and name HD+ ) 5.50 5.50 0.00 peak 2012 assign ( resid 51 and name HN ) ( resid 66 and name HG ) 5.50 5.50 0.00 peak 2014 assign ( resid 52 and name HN ) ( resid 95 and name HB+ ) 4.55 4.55 0.00 peak 2019 assign ( resid 52 and name HN ) ( resid 94 and name HB+ ) 4.56 4.56 0.00 peak 2020 assign ( resid 53 and name HN ) ( resid 95 and name HB+ ) 4.96 4.96 0.00 peak 2022 assign ( resid 54 and name HN ) ( resid 95 and name HA ) 4.76 4.76 0.00 peak 2024 assign ( resid 54 and name HN ) ( resid 94 and name HB+ ) 4.45 4.45 0.00 peak 2025 assign ( resid 56 and name HN ) ( resid 96 and name HG2+ ) 5.24 5.24 0.00 peak 2036 assign ( resid 54 and name HN ) ( resid 57 and name HN ) 4.61 4.61 0.00 peak 2038 assign ( resid 54 and name HN ) ( resid 58 and name HN ) 5.22 5.22 0.00 peak 2043 assign ( resid 62 and name HG1 ) ( resid 65 and name HN ) 3.86 3.86 0.00 peak 2049 assign ( resid 71 and name HN ) ( resid 74 and name HB2 ) 5.16 5.16 0.00 peak 2059 assign ( resid 70 and name HB+ ) ( resid 77 and name HN ) 4.39 4.39 0.00 peak 2067 assign ( resid 81 and name HD+ ) ( resid 82 and name HN ) 4.45 4.45 0.00 peak 2072 assign ( resid 81 and name HE+ ) ( resid 83 and name HN ) 4.50 4.50 0.00 peak 2074 assign ( resid 50 and name HN ) ( resid 92 and name HN ) 5.50 5.50 0.00 peak 2076 assign ( resid 90 and name HE21 ) ( resid 91 and name HN ) 5.50 5.50 0.00 peak 2084 assign ( resid 86 and name HB1 ) ( resid 91 and name HN ) 4.77 4.77 0.00 peak 2088 assign ( resid 84 and name HA ) ( resid 93 and name HN ) 5.18 5.18 0.00 peak 2090 assign ( resid 51 and name HB+ ) ( resid 93 and name HN ) 5.50 5.50 0.00 peak 2093 assign ( resid 84 and name HG+ ) ( resid 93 and name HN ) 5.50 5.50 0.00 peak 2094 assign ( resid 54 and name HA ) ( resid 95 and name HN ) 4.77 4.77 0.00 peak 2096 assign ( resid 53 and name HB2 ) ( resid 95 and name HN ) 5.22 5.22 0.00 peak 2097 assign ( resid 54 and name HB ) ( resid 96 and name HN ) 5.48 5.48 0.00 peak 2099 assign ( resid 16 and name HN ) ( resid 16 and name HG+ ) 3.77 3.77 0.00 peak 2106 assign ( resid 99 and name HB1 ) ( resid 101 and name HN ) 4.75 4.75 0.00 peak 2110 assign ( resid 20 and name HN ) ( resid 27 and name HA ) 5.04 5.04 0.00 peak 2133 assign ( resid 20 and name HN ) ( resid 21 and name HA ) 5.35 5.35 0.00 peak 2134 assign ( resid 18 and name HA1 ) ( resid 20 and name HN ) 5.50 5.50 0.00 peak 2136 assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 4.34 4.34 0.00 peak 2137 assign ( resid 20 and name HN ) ( resid 58 and name HB+ ) 5.20 5.20 0.00 peak 2138 assign ( resid 15 and name HG2+ ) ( resid 20 and name HN ) 4.10 4.10 0.00 peak 2142 assign ( resid 43 and name HD2 ) ( resid 44 and name HN ) 4.50 4.50 0.00 peak 2143 assign ( resid 27 and name HG1 ) ( resid 27 and name HE21 ) 3.20 3.20 0.00 peak 2160 assign ( resid 70 and name HD21 ) ( resid 78 and name HB2 ) 5.00 5.00 0.00 peak 2163 assign ( resid 70 and name HD22 ) ( resid 78 and name HB2 ) 4.71 4.71 0.00 peak 2165 assign ( resid 70 and name HD21 ) ( resid 78 and name HB1 ) 5.44 5.44 0.00 peak 2166 assign ( resid 70 and name HD22 ) ( resid 78 and name HB1 ) 4.96 4.96 0.00 peak 2168 assign ( resid 70 and name HA ) ( resid 70 and name HD21 ) 4.71 4.71 0.00 peak 2171 assign ( resid 70 and name HD21 ) ( resid 80 and name HE+ ) 4.32 4.32 0.00 peak 2174 assign ( resid 70 and name HD22 ) ( resid 80 and name HE+ ) 4.33 4.33 0.00 peak 2175 assign ( resid 53 and name HA ) ( resid 95 and name HE21 ) 5.24 5.24 0.00 peak 2181 assign ( resid 44 and name HN ) ( resid 45 and name HN ) 4.53 4.53 0.00 peak 2198 assign ( resid 102 and name HN ) ( resid 102 and name HD+ ) 3.59 3.59 0.00 peak 2202 assign ( resid 52 and name HB ) ( resid 58 and name HN ) 5.10 5.10 0.00 peak 2214 assign ( resid 31 and name HA ) ( resid 35 and name HN ) 4.02 4.02 0.00 peak 2225 assign ( resid 35 and name HA ) ( resid 38 and name HN ) 3.72 3.72 0.00 peak 2226 assign ( resid 57 and name HN ) ( resid 57 and name HD21 ) 4.42 4.42 0.00 peak 2228 assign ( resid 95 and name HN ) ( resid 95 and name HG2 ) 4.77 4.77 0.00 peak 2230 assign ( resid 97 and name HG12 ) ( resid 98 and name HN ) 4.76 4.76 0.00 peak 2233 assign ( resid 16 and name HG+ ) ( resid 18 and name HN ) 4.75 4.75 0.00 peak 2234 assign ( resid 18 and name HN ) ( resid 27 and name HG2 ) 5.28 5.28 0.00 peak 2234 assign ( resid 19 and name HN ) ( resid 27 and name HG2 ) 4.31 4.31 0.00 peak 2237 assign ( resid 19 and name HD+ ) ( resid 30 and name HN ) 4.59 4.59 0.00 peak 2253 assign ( resid 30 and name HN ) ( resid 31 and name HA ) 5.33 5.33 0.00 peak 2256 assign ( resid 30 and name HN ) ( resid 33 and name HG2 ) 4.91 4.91 0.00 peak 2257 assign ( resid 32 and name HB1 ) ( resid 34 and name HN ) 5.08 5.08 0.00 peak 2265 assign ( resid 31 and name HB2 ) ( resid 34 and name HN ) 5.50 5.50 0.00 peak 2266 assign ( resid 34 and name HB+ ) ( resid 36 and name HN ) 4.46 4.46 0.00 peak 2271 assign ( resid 37 and name HN ) ( resid 40 and name HN ) 4.90 4.90 0.00 peak 2281 assign ( resid 40 and name HN ) ( resid 43 and name HA ) 5.15 5.15 0.00 peak 2283 assign ( resid 39 and name HA ) ( resid 41 and name HN ) 4.70 4.70 0.00 peak 2284 assign ( resid 38 and name HN ) ( resid 41 and name HN ) 4.52 4.52 0.00 peak 2285 assign ( resid 45 and name HN ) ( resid 45 and name HG2+ ) 3.97 3.97 0.00 peak 2300 assign ( resid 50 and name HN ) ( resid 90 and name HG+ ) 5.25 5.25 0.00 peak 2304 assign ( resid 51 and name HN ) ( resid 59 and name HA ) 4.96 4.96 0.00 peak 2305 assign ( resid 52 and name HN ) ( resid 54 and name HN ) 5.31 5.31 0.00 peak 2307 assign ( resid 52 and name HN ) ( resid 94 and name HG2 ) 4.19 4.19 0.00 peak 2311 assign ( resid 55 and name HB2 ) ( resid 57 and name HN ) 4.60 4.60 0.00 peak 2320 assign ( resid 52 and name HB ) ( resid 59 and name HN ) 4.68 4.68 0.00 peak 2325 assign ( resid 52 and name HG2+ ) ( resid 59 and name HN ) 3.80 3.80 0.00 peak 2326 assign ( resid 51 and name HB+ ) ( resid 60 and name HN ) 4.26 4.26 0.00 peak 2328 assign ( resid 66 and name HN ) ( resid 66 and name HD1+ ) 3.28 3.28 0.00 peak 2332 assign ( resid 69 and name HN ) ( resid 73 and name HN ) 5.30 5.30 0.00 peak 2340 assign ( resid 69 and name HN ) ( resid 71 and name HN ) 3.91 3.91 0.00 peak 2343 assign ( resid 71 and name HN ) ( resid 75 and name HA ) 5.50 5.50 0.00 peak 2345 assign ( resid 69 and name HA ) ( resid 73 and name HN ) 3.71 3.71 0.00 peak 2354 assign ( resid 71 and name HN ) ( resid 74 and name HN ) 4.06 4.06 0.00 peak 2356 assign ( resid 70 and name HD22 ) ( resid 80 and name HN ) 4.41 4.41 0.00 peak 2364 assign ( resid 81 and name HN ) ( resid 96 and name HN ) 3.48 3.48 0.00 peak 2367 assign ( resid 83 and name HN ) ( resid 95 and name HG1 ) 4.89 4.89 0.00 peak 2369 assign ( resid 92 and name HN ) ( resid 93 and name HN ) 4.45 4.45 0.00 peak 2372 assign ( resid 84 and name HB1 ) ( resid 85 and name HN ) 4.66 4.66 0.00 peak 2374 assign ( resid 85 and name HN ) ( resid 94 and name HB+ ) 4.86 4.86 0.00 peak 2374 assign ( resid 93 and name HB2 ) ( resid 94 and name HN ) 4.37 4.37 0.00 peak 2388 assign ( resid 99 and name HN ) ( resid 100 and name HG ) 4.41 4.41 0.00 peak 2392 assign ( resid 98 and name HN ) ( resid 100 and name HN ) 4.21 4.21 0.00 peak 2393 assign ( resid 20 and name HN ) ( resid 27 and name HB2 ) 4.21 4.21 0.00 peak 2401 assign ( resid 20 and name HB1 ) ( resid 21 and name HN ) 4.68 4.68 0.00 peak 2405 assign ( resid 19 and name HE+ ) ( resid 34 and name HN ) 5.29 5.29 0.00 peak 2413 assign ( resid 38 and name HN ) ( resid 40 and name HN ) 3.76 3.76 0.00 peak 2419 assign ( resid 38 and name HA ) ( resid 40 and name HN ) 4.07 4.07 0.00 peak 2420 assign ( resid 38 and name HG1+ ) ( resid 41 and name HN ) 4.85 4.85 0.00 peak 2425 assign ( resid 54 and name HG1+ ) ( resid 57 and name HN ) 4.84 4.84 0.00 peak 2438 assign ( resid 21 and name HA ) ( resid 59 and name HN ) 4.56 4.56 0.00 peak 2442 assign ( resid 60 and name HN ) ( resid 66 and name HD2+ ) 4.06 4.06 0.00 peak 2445 assign ( resid 69 and name HN ) ( resid 72 and name HN ) 4.87 4.87 0.00 peak 2449 assign ( resid 71 and name HN ) ( resid 72 and name HG2 ) 3.90 3.90 0.00 peak 2458 assign ( resid 69 and name HB2 ) ( resid 74 and name HN ) 5.45 5.45 0.00 peak 2464 assign ( resid 81 and name HN ) ( resid 95 and name HE21 ) 5.18 5.18 0.00 peak 2471 assign ( resid 80 and name HE+ ) ( resid 81 and name HN ) 4.78 4.78 0.00 peak 2472 assign ( resid 90 and name HN ) ( resid 92 and name HN ) 5.38 5.38 0.00 peak 2485 assign ( resid 90 and name HN ) ( resid 90 and name HE21 ) 4.47 4.47 0.00 peak 2487 assign ( resid 89 and name HN ) ( resid 90 and name HN ) 4.53 4.53 0.00 peak 2488 assign ( resid 84 and name HN ) ( resid 84 and name HB2 ) 3.83 3.83 0.00 peak 2492 assign ( resid 92 and name HG12 ) ( resid 93 and name HN ) 4.98 4.98 0.00 peak 2495 assign ( resid 98 and name HD22 ) ( resid 99 and name HN ) 4.63 4.63 0.00 peak 2497 assign ( resid 97 and name HG12 ) ( resid 99 and name HN ) 5.50 5.50 0.00 peak 2498 assign ( resid 99 and name HN ) ( resid 100 and name HD1+ ) 4.44 4.44 0.00 peak 2499 assign ( resid 83 and name HG2+ ) ( resid 94 and name HA ) 4.48 4.48 0.00 peak 5 assign ( resid 51 and name HA ) ( resid 60 and name HG2+ ) 5.04 5.04 0.00 peak 7 assign ( resid 30 and name HB2 ) ( resid 31 and name HN ) 4.94 4.94 0.00 peak 12 assign ( resid 81 and name HD+ ) ( resid 83 and name HB ) 4.48 4.48 0.00 peak 15 assign ( resid 21 and name HB2 ) ( resid 24 and name HA ) 4.76 4.76 0.00 peak 25 assign ( resid 28 and name HG2+ ) ( resid 31 and name HN ) 5.04 5.04 0.00 peak 35 assign ( resid 70 and name HA ) ( resid 71 and name HA ) 4.75 4.75 0.00 peak 38 assign ( resid 80 and name HB1 ) ( resid 96 and name HN ) 5.03 5.03 0.00 peak 40 assign ( resid 54 and name HG2+ ) ( resid 83 and name HB ) 5.03 5.03 0.00 peak 42 assign ( resid 40 and name HA ) ( resid 42 and name HN ) 5.31 5.31 0.00 peak 47 assign ( resid 15 and name HG2+ ) ( resid 69 and name HA ) 5.50 5.50 0.00 peak 58 assign ( resid 19 and name HD+ ) ( resid 34 and name HA ) 4.75 4.75 0.00 peak 61 assign ( resid 19 and name HD+ ) ( resid 31 and name HB2 ) 4.75 4.75 0.00 peak 62 assign ( resid 52 and name HA ) ( resid 58 and name HB+ ) 5.50 5.50 0.00 peak 67 assign ( resid 90 and name HB2 ) ( resid 92 and name HG12 ) 5.50 5.50 0.00 peak 74 assign ( resid 65 and name HB+ ) ( resid 69 and name HB2 ) 4.75 4.75 0.00 peak 80 assign ( resid 16 and name HG+ ) ( resid 17 and name HN ) 4.47 4.47 0.00 peak 82 assign ( resid 73 and name HN ) ( resid 74 and name HA ) 5.30 5.30 0.00 peak 89 assign ( resid 81 and name HN ) ( resid 82 and name HN ) 4.52 4.52 0.00 peak 97 assign ( resid 76 and name HA2 ) ( resid 77 and name HB+ ) 4.74 4.74 0.00 peak 100 assign ( resid 59 and name HA ) ( resid 86 and name HE+ ) 5.02 5.02 0.00 peak 108 assign ( resid 52 and name HA ) ( resid 53 and name HB1 ) 4.74 4.74 0.00 peak 110 assign ( resid 53 and name HA ) ( resid 66 and name HB1 ) 4.74 4.74 0.00 peak 120 assign ( resid 75 and name HG2 ) ( resid 76 and name HA2 ) 5.30 5.30 0.00 peak 121 assign ( resid 99 and name HB1 ) ( resid 100 and name HD1+ ) 4.46 4.46 0.00 peak 125 assign ( resid 60 and name HG2+ ) ( resid 67 and name HN ) 5.30 5.30 0.00 peak 129 assign ( resid 81 and name HN ) ( resid 97 and name HN ) 4.73 4.73 0.00 peak 141 assign ( resid 94 and name HG1 ) ( resid 95 and name HN ) 5.29 5.29 0.00 peak 147 assign ( resid 98 and name HA ) ( resid 100 and name HN ) 5.29 5.29 0.00 peak 148 assign ( resid 84 and name HN ) ( resid 85 and name HA ) 5.50 5.50 0.00 peak 167 assign ( resid 85 and name HA ) ( resid 92 and name HN ) 5.50 5.50 0.00 peak 167 assign ( resid 55 and name HB2 ) ( resid 56 and name HB2 ) 4.45 4.45 0.00 peak 168 assign ( resid 53 and name HN ) ( resid 59 and name HG ) 5.28 5.28 0.00 peak 175 assign ( resid 71 and name HG ) ( resid 73 and name HD+ ) 5.28 5.28 0.00 peak 183 assign ( resid 21 and name HA ) ( resid 23 and name HE+ ) 5.00 5.00 0.00 peak 187 assign ( resid 52 and name HG1+ ) ( resid 58 and name HN ) 4.45 4.45 0.00 peak 192 assign ( resid 23 and name HB+ ) ( resid 45 and name HG2+ ) 4.44 4.44 0.00 peak 193 assign ( resid 78 and name HG+ ) ( resid 80 and name HD+ ) 4.72 4.72 0.00 peak 204 assign ( resid 52 and name HA ) ( resid 58 and name HD+ ) 5.00 5.00 0.00 peak 206 assign ( resid 18 and name HA1 ) ( resid 27 and name HG1 ) 4.44 4.44 0.00 peak 213 assign ( resid 51 and name HD+ ) ( resid 66 and name HA ) 5.50 5.50 0.00 peak 232 assign ( resid 65 and name HN ) ( resid 67 and name HN ) 4.44 4.44 0.00 peak 233 assign ( resid 86 and name HB2 ) ( resid 92 and name HA ) 5.27 5.27 0.00 peak 237 assign ( resid 52 and name HG2+ ) ( resid 55 and name HN ) 5.50 5.50 0.00 peak 247 assign ( resid 52 and name HA ) ( resid 53 and name HB2 ) 4.71 4.71 0.00 peak 251 assign ( resid 19 and name HE+ ) ( resid 31 and name HG ) 4.71 4.71 0.00 peak 253 assign ( resid 15 and name HG1+ ) ( resid 69 and name HA ) 4.98 4.98 0.00 peak 279 assign ( resid 58 and name HE+ ) ( resid 60 and name HA ) 4.42 4.42 0.00 peak 287 assign ( resid 81 and name HB1 ) ( resid 96 and name HB ) 4.92 4.92 0.00 peak 289 assign ( resid 86 and name HB1 ) ( resid 90 and name HG+ ) 4.42 4.42 0.00 peak 290 assign ( resid 90 and name HB1 ) ( resid 92 and name HG12 ) 5.50 5.50 0.00 peak 294 assign ( resid 74 and name HB2 ) ( resid 97 and name HD1+ ) 4.42 4.42 0.00 peak 297 assign ( resid 22 and name HB1 ) ( resid 23 and name HE+ ) 4.42 4.42 0.00 peak 304 assign ( resid 36 and name HN ) ( resid 37 and name HB1 ) 4.97 4.97 0.00 peak 314 assign ( resid 70 and name HA ) ( resid 74 and name HB1 ) 4.41 4.41 0.00 peak 328 assign ( resid 77 and name HA ) ( resid 100 and name HD1+ ) 4.41 4.41 0.00 peak 330 assign ( resid 82 and name HB+ ) ( resid 83 and name HB ) 5.50 5.50 0.00 peak 343 assign ( resid 82 and name HG ) ( resid 83 and name HB ) 5.50 5.50 0.00 peak 343 assign ( resid 55 and name HG+ ) ( resid 96 and name HG2+ ) 4.41 4.41 0.00 peak 345 assign ( resid 85 and name HB ) ( resid 86 and name HA ) 4.41 4.41 0.00 peak 348 assign ( resid 54 and name HN ) ( resid 95 and name HB+ ) 4.41 4.41 0.00 peak 355 assign ( resid 20 and name HG2 ) ( resid 27 and name HA ) 5.24 5.24 0.00 peak 361 assign ( resid 66 and name HB1 ) ( resid 69 and name HN ) 5.23 5.23 0.00 peak 371 assign ( resid 80 and name HB1 ) ( resid 97 and name HG12 ) 5.23 5.23 0.00 peak 375 assign ( resid 54 and name HG1+ ) ( resid 81 and name HE+ ) 4.95 4.95 0.00 peak 388 assign ( resid 54 and name HN ) ( resid 94 and name HG2 ) 5.22 5.22 0.00 peak 392 assign ( resid 19 and name HA ) ( resid 58 and name HE+ ) 4.40 4.40 0.00 peak 395 assign ( resid 74 and name HB1 ) ( resid 97 and name HD1+ ) 4.40 4.40 0.00 peak 396 assign ( resid 19 and name HB2 ) ( resid 29 and name HA ) 4.67 4.67 0.00 peak 397 assign ( resid 58 and name HD+ ) ( resid 60 and name HA ) 4.85 4.85 0.00 peak 400 assign ( resid 84 and name HA ) ( resid 93 and name HD+ ) 5.09 5.09 0.00 peak 400 assign ( resid 74 and name HA ) ( resid 75 and name HG1 ) 4.67 4.67 0.00 peak 406 assign ( resid 81 and name HG1 ) ( resid 82 and name HA ) 4.39 4.39 0.00 peak 407 assign ( resid 52 and name HA ) ( resid 66 and name HD2+ ) 4.39 4.39 0.00 peak 412 assign ( resid 18 and name HA1 ) ( resid 29 and name HG+ ) 4.39 4.39 0.00 peak 414 assign ( resid 55 and name HG+ ) ( resid 57 and name HN ) 5.21 5.21 0.00 peak 415 assign ( resid 55 and name HN ) ( resid 58 and name HN ) 5.50 5.50 0.00 peak 416 assign ( resid 56 and name HB2 ) ( resid 58 and name HA ) 5.50 5.50 0.00 peak 423 assign ( resid 57 and name HB2 ) ( resid 58 and name HA ) 5.50 5.50 0.00 peak 423 assign ( resid 53 and name HN ) ( resid 54 and name HA ) 5.21 5.21 0.00 peak 433 assign ( resid 21 and name HB1 ) ( resid 38 and name HG2+ ) 4.39 4.39 0.00 peak 438 assign ( resid 66 and name HB2 ) ( resid 95 and name HE22 ) 4.40 4.40 0.00 peak 440 assign ( resid 42 and name HA ) ( resid 43 and name HB1 ) 5.48 5.48 0.00 peak 445 assign ( resid 23 and name HN ) ( resid 59 and name HB1 ) 5.48 5.48 0.00 peak 451 assign ( resid 80 and name HE+ ) ( resid 97 and name HA ) 5.00 5.00 0.00 peak 458 assign ( resid 97 and name HA ) ( resid 98 and name HD21 ) 5.36 5.36 0.00 peak 458 assign ( resid 68 and name HA ) ( resid 72 and name HG1 ) 4.92 4.92 0.00 peak 459 assign ( resid 27 and name HG2 ) ( resid 29 and name HD2 ) 4.92 4.92 0.00 peak 460 assign ( resid 74 and name HN ) ( resid 75 and name HA ) 4.92 4.92 0.00 peak 461 assign ( resid 80 and name HB1 ) ( resid 81 and name HB1 ) 5.47 5.47 0.00 peak 465 assign ( resid 36 and name HD+ ) ( resid 39 and name HN ) 5.20 5.20 0.00 peak 467 assign ( resid 56 and name HA ) ( resid 58 and name HD+ ) 5.19 5.19 0.00 peak 471 assign ( resid 97 and name HD1+ ) ( resid 100 and name HA ) 4.37 4.37 0.00 peak 475 assign ( resid 51 and name HD+ ) ( resid 66 and name HG ) 4.37 4.37 0.00 peak 477 assign ( resid 39 and name HA ) ( resid 43 and name HB2 ) 4.92 4.92 0.00 peak 486 assign ( resid 56 and name HB1 ) ( resid 57 and name HN ) 4.37 4.37 0.00 peak 488 assign ( resid 57 and name HA ) ( resid 58 and name HB+ ) 4.64 4.64 0.00 peak 496 assign ( resid 92 and name HN ) ( resid 94 and name HG2 ) 5.19 5.19 0.00 peak 497 assign ( resid 67 and name HB1 ) ( resid 68 and name HB1 ) 5.46 5.46 0.00 peak 518 assign ( resid 83 and name HB ) ( resid 85 and name HG1+ ) 5.46 5.46 0.00 peak 520 assign ( resid 54 and name HG1+ ) ( resid 55 and name HG+ ) 5.17 5.17 0.00 peak 542 assign ( resid 33 and name HN ) ( resid 36 and name HB1 ) 4.63 4.63 0.00 peak 545 assign ( resid 69 and name HN ) ( resid 72 and name HG2 ) 5.44 5.44 0.00 peak 557 assign ( resid 38 and name HG2+ ) ( resid 40 and name HN ) 5.18 5.18 0.00 peak 559 assign ( resid 52 and name HA ) ( resid 59 and name HD1+ ) 5.17 5.17 0.00 peak 561 assign ( resid 38 and name HB ) ( resid 40 and name HN ) 4.89 4.89 0.00 peak 562 assign ( resid 14 and name HE+ ) ( resid 15 and name HB ) 4.35 4.35 0.00 peak 564 assign ( resid 70 and name HD21 ) ( resid 71 and name HN ) 5.43 5.43 0.00 peak 570 assign ( resid 66 and name HB2 ) ( resid 67 and name HB2 ) 4.35 4.35 0.00 peak 575 assign ( resid 82 and name HB+ ) ( resid 94 and name HN ) 5.43 5.43 0.00 peak 577 assign ( resid 68 and name HA ) ( resid 72 and name HN ) 4.36 4.36 0.00 peak 579 assign ( resid 56 and name HB2 ) ( resid 58 and name HB+ ) 4.34 4.34 0.00 peak 585 assign ( resid 21 and name HA ) ( resid 34 and name HD+ ) 5.15 5.15 0.00 peak 593 assign ( resid 15 and name HG1+ ) ( resid 27 and name HE21 ) 5.42 5.42 0.00 peak 600 assign ( resid 72 and name HN ) ( resid 73 and name HA ) 4.88 4.88 0.00 peak 602 assign ( resid 71 and name HN ) ( resid 73 and name HD+ ) 4.88 4.88 0.00 peak 605 assign ( resid 35 and name HN ) ( resid 36 and name HB1 ) 4.61 4.61 0.00 peak 606 assign ( resid 80 and name HD+ ) ( resid 81 and name HA ) 5.15 5.15 0.00 peak 608 assign ( resid 54 and name HA ) ( resid 57 and name HB1 ) 5.42 5.42 0.00 peak 610 assign ( resid 101 and name HB ) ( resid 102 and name HD+ ) 4.33 4.33 0.00 peak 614 assign ( resid 98 and name HA ) ( resid 99 and name HB2 ) 5.14 5.14 0.00 peak 616 assign ( resid 86 and name HN ) ( resid 87 and name HA ) 4.87 4.87 0.00 peak 617 assign ( resid 93 and name HD+ ) ( resid 94 and name HN ) 4.33 4.33 0.00 peak 618 assign ( resid 74 and name HA ) ( resid 75 and name HB1 ) 5.41 5.41 0.00 peak 620 assign ( resid 78 and name HB1 ) ( resid 79 and name HD22 ) 4.33 4.33 0.00 peak 621 assign ( resid 40 and name HN ) ( resid 41 and name HA ) 5.14 5.14 0.00 peak 637 assign ( resid 50 and name HN ) ( resid 92 and name HG12 ) 4.86 4.86 0.00 peak 650 assign ( resid 75 and name HD1 ) ( resid 100 and name HD2+ ) 5.13 5.13 0.00 peak 669 assign ( resid 86 and name HB1 ) ( resid 89 and name HB2 ) 5.40 5.40 0.00 peak 672 assign ( resid 38 and name HG2+ ) ( resid 41 and name HN ) 5.40 5.40 0.00 peak 673 assign ( resid 38 and name HB ) ( resid 42 and name HN ) 5.50 5.50 0.00 peak 686 assign ( resid 42 and name HN ) ( resid 43 and name HB1 ) 5.50 5.50 0.00 peak 686 assign ( resid 93 and name HN ) ( resid 94 and name HA ) 5.39 5.39 0.00 peak 693 assign ( resid 74 and name HA ) ( resid 75 and name HG2 ) 4.31 4.31 0.00 peak 699 assign ( resid 70 and name HA ) ( resid 74 and name HB2 ) 4.31 4.31 0.00 peak 700 assign ( resid 70 and name HB+ ) ( resid 72 and name HN ) 5.39 5.39 0.00 peak 702 assign ( resid 15 and name HG2+ ) ( resid 16 and name HG+ ) 4.58 4.58 0.00 peak 706 assign ( resid 15 and name HG2+ ) ( resid 17 and name HA2 ) 4.85 4.85 0.00 peak 711 assign ( resid 70 and name HA ) ( resid 75 and name HD2 ) 5.11 5.11 0.00 peak 722 assign ( resid 54 and name HG2+ ) ( resid 55 and name HB2 ) 5.11 5.11 0.00 peak 738 assign ( resid 19 and name HA ) ( resid 73 and name HE+ ) 4.30 4.30 0.00 peak 740 assign ( resid 65 and name HB+ ) ( resid 66 and name HA ) 4.30 4.30 0.00 peak 741 assign ( resid 66 and name HN ) ( resid 67 and name HA ) 5.11 5.11 0.00 peak 751 assign ( resid 90 and name HB2 ) ( resid 90 and name HE21 ) 4.55 4.55 0.00 peak 772 assign ( resid 57 and name HN ) ( resid 58 and name HD+ ) 4.82 4.82 0.00 peak 779 assign ( resid 23 and name HB+ ) ( resid 45 and name HG1+ ) 4.44 4.44 0.00 peak 781 assign ( resid 84 and name HN ) ( resid 93 and name HD+ ) 4.82 4.82 0.00 peak 792 assign ( resid 70 and name HB+ ) ( resid 97 and name HG12 ) 4.28 4.28 0.00 peak 813 assign ( resid 23 and name HE+ ) ( resid 59 and name HD2+ ) 4.81 4.81 0.00 peak 823 assign ( resid 21 and name HN ) ( resid 34 and name HD+ ) 4.74 4.74 0.00 peak 826 assign ( resid 56 and name HB1 ) ( resid 58 and name HN ) 4.54 4.54 0.00 peak 828 assign ( resid 54 and name HG2+ ) ( resid 94 and name HN ) 4.81 4.81 0.00 peak 840 assign ( resid 15 and name HG1+ ) ( resid 16 and name HG+ ) 4.72 4.72 0.00 peak 846 assign ( resid 15 and name HG1+ ) ( resid 68 and name HG1 ) 4.95 4.95 0.00 peak 846 assign ( resid 53 and name HB1 ) ( resid 58 and name HB+ ) 4.26 4.26 0.00 peak 856 assign ( resid 52 and name HA ) ( resid 59 and name HB1 ) 5.06 5.06 0.00 peak 858 assign ( resid 80 and name HE+ ) ( resid 97 and name HG12 ) 4.26 4.26 0.00 peak 864 assign ( resid 56 and name HA ) ( resid 58 and name HN ) 5.32 5.32 0.00 peak 870 assign ( resid 84 and name HN ) ( resid 94 and name HN ) 4.52 4.52 0.00 peak 871 assign ( resid 50 and name HA ) ( resid 93 and name HD+ ) 4.52 4.52 0.00 peak 881 assign ( resid 79 and name HD21 ) ( resid 97 and name HG2+ ) 4.25 4.25 0.00 peak 883 assign ( resid 69 and name HB2 ) ( resid 73 and name HD+ ) 4.79 4.79 0.00 peak 884 assign ( resid 56 and name HN ) ( resid 58 and name HB+ ) 5.05 5.05 0.00 peak 889 assign ( resid 15 and name HG1+ ) ( resid 72 and name HE+ ) 4.25 4.25 0.00 peak 893 assign ( resid 52 and name HN ) ( resid 54 and name HG2+ ) 5.50 5.50 0.00 peak 894 assign ( resid 15 and name HG1+ ) ( resid 68 and name HB2 ) 4.25 4.25 0.00 peak 904 assign ( resid 23 and name HD+ ) ( resid 42 and name HB2 ) 4.25 4.25 0.00 peak 905 assign ( resid 72 and name HB2 ) ( resid 72 and name HE+ ) 4.25 4.25 0.00 peak 908 assign ( resid 54 and name HG1+ ) ( resid 94 and name HN ) 4.91 4.91 0.00 peak 911 assign ( resid 14 and name HA ) ( resid 15 and name HG1+ ) 5.04 5.04 0.00 peak 915 assign ( resid 58 and name HD+ ) ( resid 60 and name HB ) 4.47 4.47 0.00 peak 921 assign ( resid 70 and name HN ) ( resid 100 and name HD1+ ) 4.77 4.77 0.00 peak 922 assign ( resid 66 and name HB2 ) ( resid 69 and name HB2 ) 5.04 5.04 0.00 peak 924 assign ( resid 59 and name HD2+ ) ( resid 86 and name HE+ ) 4.24 4.24 0.00 peak 927 assign ( resid 52 and name HN ) ( resid 53 and name HN ) 4.50 4.50 0.00 peak 928 assign ( resid 28 and name HG2+ ) ( resid 33 and name HA ) 4.51 4.51 0.00 peak 937 assign ( resid 58 and name HZ ) ( resid 69 and name HB2 ) 4.77 4.77 0.00 peak 939 assign ( resid 65 and name HA ) ( resid 69 and name HN ) 4.50 4.50 0.00 peak 945 assign ( resid 69 and name HA ) ( resid 73 and name HB2 ) 4.23 4.23 0.00 peak 948 assign ( resid 90 and name HE21 ) ( resid 92 and name HG11 ) 4.23 4.23 0.00 peak 949 assign ( resid 53 and name HA ) ( resid 58 and name HD+ ) 5.02 5.02 0.00 peak 965 assign ( resid 52 and name HA ) ( resid 92 and name HD1+ ) 4.92 4.92 0.00 peak 966 assign ( resid 30 and name HA ) ( resid 31 and name HB2 ) 4.23 4.23 0.00 peak 971 assign ( resid 80 and name HD+ ) ( resid 95 and name HA ) 4.23 4.23 0.00 peak 974 assign ( resid 60 and name HG2+ ) ( resid 66 and name HA ) 4.22 4.22 0.00 peak 984 assign ( resid 18 and name HA2 ) ( resid 19 and name HD+ ) 4.22 4.22 0.00 peak 985 assign ( resid 86 and name HD+ ) ( resid 92 and name HN ) 4.49 4.49 0.00 peak 989 assign ( resid 15 and name HG1+ ) ( resid 69 and name HN ) 5.50 5.50 0.00 peak 991 assign ( resid 54 and name HG2+ ) ( resid 95 and name HB+ ) 4.22 4.22 0.00 peak 992 assign ( resid 81 and name HN ) ( resid 95 and name HA ) 4.22 4.22 0.00 peak 995 assign ( resid 86 and name HG+ ) ( resid 94 and name HG2 ) 4.75 4.75 0.00 peak 1010 assign ( resid 52 and name HN ) ( resid 53 and name HA ) 5.00 5.00 0.00 peak 1016 assign ( resid 78 and name HA ) ( resid 80 and name HN ) 5.50 5.50 0.00 peak 1022 assign ( resid 19 and name HA ) ( resid 34 and name HD+ ) 5.00 5.00 0.00 peak 1026 assign ( resid 59 and name HD1+ ) ( resid 86 and name HE+ ) 4.21 4.21 0.00 peak 1027 assign ( resid 52 and name HA ) ( resid 86 and name HE+ ) 5.26 5.26 0.00 peak 1036 assign ( resid 22 and name HG+ ) ( resid 23 and name HD+ ) 4.47 4.47 0.00 peak 1046 assign ( resid 67 and name HA ) ( resid 70 and name HD22 ) 4.73 4.73 0.00 peak 1047 assign ( resid 50 and name HA ) ( resid 93 and name HN ) 4.99 4.99 0.00 peak 1051 assign ( resid 27 and name HB2 ) ( resid 27 and name HE22 ) 4.20 4.20 0.00 peak 1056 assign ( resid 36 and name HD+ ) ( resid 37 and name HB1 ) 4.20 4.20 0.00 peak 1071 assign ( resid 53 and name HB2 ) ( resid 66 and name HB1 ) 4.46 4.46 0.00 peak 1073 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 4.45 4.45 0.00 peak 1080 assign ( resid 20 and name HG1 ) ( resid 27 and name HA ) 5.24 5.24 0.00 peak 1083 assign ( resid 51 and name HD+ ) ( resid 59 and name HD2+ ) 4.97 4.97 0.00 peak 1092 assign ( resid 14 and name HG+ ) ( resid 15 and name HB ) 5.50 5.50 0.00 peak 1094 assign ( resid 60 and name HG2+ ) ( resid 65 and name HA ) 4.45 4.45 0.00 peak 1100 assign ( resid 36 and name HD+ ) ( resid 37 and name HA ) 4.18 4.18 0.00 peak 1116 assign ( resid 84 and name HA ) ( resid 94 and name HB+ ) 4.44 4.44 0.00 peak 1117 assign ( resid 56 and name HB1 ) ( resid 58 and name HB+ ) 4.18 4.18 0.00 peak 1118 assign ( resid 68 and name HB2 ) ( resid 69 and name HA ) 4.17 4.17 0.00 peak 1129 assign ( resid 66 and name HB1 ) ( resid 95 and name HB+ ) 4.17 4.17 0.00 peak 1134 assign ( resid 81 and name HB1 ) ( resid 97 and name HA ) 4.17 4.17 0.00 peak 1137 assign ( resid 38 and name HG2+ ) ( resid 42 and name HN ) 4.69 4.69 0.00 peak 1140 assign ( resid 54 and name HG2+ ) ( resid 55 and name HG+ ) 4.17 4.17 0.00 peak 1144 assign ( resid 80 and name HD+ ) ( resid 81 and name HB1 ) 4.95 4.95 0.00 peak 1151 assign ( resid 52 and name HG2+ ) ( resid 53 and name HB1 ) 4.16 4.16 0.00 peak 1153 assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 4.68 4.68 0.00 peak 1155 assign ( resid 42 and name HB1 ) ( resid 45 and name HG2+ ) 4.16 4.16 0.00 peak 1174 assign ( resid 50 and name HN ) ( resid 92 and name HG11 ) 5.20 5.20 0.00 peak 1176 assign ( resid 71 and name HB1 ) ( resid 73 and name HN ) 4.93 4.93 0.00 peak 1187 assign ( resid 53 and name HA ) ( resid 58 and name HE+ ) 5.50 5.50 0.00 peak 1197 assign ( resid 19 and name HE+ ) ( resid 31 and name HB1 ) 4.40 4.40 0.00 peak 1212 assign ( resid 64 and name HA ) ( resid 68 and name HG1 ) 4.14 4.14 0.00 peak 1214 assign ( resid 54 and name HG2+ ) ( resid 96 and name HB ) 4.14 4.14 0.00 peak 1222 assign ( resid 58 and name HZ ) ( resid 66 and name HN ) 4.92 4.92 0.00 peak 1224 assign ( resid 15 and name HG1+ ) ( resid 73 and name HE+ ) 4.14 4.14 0.00 peak 1228 assign ( resid 80 and name HE+ ) ( resid 100 and name HD1+ ) 4.14 4.14 0.00 peak 1229 assign ( resid 97 and name HD1+ ) ( resid 100 and name HD2+ ) 4.14 4.14 0.00 peak 1231 assign ( resid 86 and name HB1 ) ( resid 89 and name HD21 ) 4.65 4.65 0.00 peak 1232 assign ( resid 42 and name HB2 ) ( resid 45 and name HG1+ ) 4.43 4.43 0.00 peak 1235 assign ( resid 74 and name HN ) ( resid 100 and name HD1+ ) 5.48 5.48 0.00 peak 1236 assign ( resid 79 and name HD22 ) ( resid 100 and name HD1+ ) 5.50 5.50 0.00 peak 1236 assign ( resid 18 and name HA2 ) ( resid 19 and name HE+ ) 4.45 4.45 0.00 peak 1239 assign ( resid 82 and name HA ) ( resid 96 and name HN ) 4.13 4.13 0.00 peak 1245 assign ( resid 18 and name HA1 ) ( resid 19 and name HD+ ) 4.65 4.65 0.00 peak 1246 assign ( resid 82 and name HB+ ) ( resid 83 and name HA ) 4.39 4.39 0.00 peak 1252 assign ( resid 94 and name HA ) ( resid 94 and name HG1 ) 4.13 4.13 0.00 peak 1256 assign ( resid 53 and name HB1 ) ( resid 58 and name HE+ ) 4.13 4.13 0.00 peak 1267 assign ( resid 85 and name HN ) ( resid 92 and name HD1+ ) 4.12 4.12 0.00 peak 1279 assign ( resid 86 and name HB1 ) ( resid 91 and name HA ) 4.12 4.12 0.00 peak 1287 assign ( resid 58 and name HB+ ) ( resid 60 and name HG2+ ) 5.15 5.15 0.00 peak 1288 assign ( resid 52 and name HN ) ( resid 60 and name HG2+ ) 4.89 4.89 0.00 peak 1289 assign ( resid 52 and name HA ) ( resid 59 and name HB2 ) 5.14 5.14 0.00 peak 1297 assign ( resid 83 and name HB ) ( resid 85 and name HG2+ ) 4.11 4.11 0.00 peak 1305 assign ( resid 42 and name HN ) ( resid 43 and name HD2 ) 4.11 4.11 0.00 peak 1307 assign ( resid 98 and name HB2 ) ( resid 99 and name HN ) 4.37 4.37 0.00 peak 1310 assign ( resid 81 and name HE+ ) ( resid 83 and name HA ) 4.11 4.11 0.00 peak 1311 assign ( resid 18 and name HN ) ( resid 29 and name HB1 ) 4.11 4.11 0.00 peak 1312 assign ( resid 80 and name HE+ ) ( resid 96 and name HA ) 4.11 4.11 0.00 peak 1314 assign ( resid 83 and name HG2+ ) ( resid 96 and name HB ) 4.36 4.36 0.00 peak 1315 assign ( resid 30 and name HA ) ( resid 32 and name HN ) 4.11 4.11 0.00 peak 1320 assign ( resid 66 and name HB1 ) ( resid 67 and name HN ) 4.53 4.53 0.00 peak 1323 assign ( resid 55 and name HB2 ) ( resid 97 and name HD1+ ) 4.10 4.10 0.00 peak 1336 assign ( resid 95 and name HB+ ) ( resid 95 and name HE21 ) 4.09 4.09 0.00 peak 1349 assign ( resid 58 and name HN ) ( resid 86 and name HE+ ) 5.11 5.11 0.00 peak 1353 assign ( resid 42 and name HA ) ( resid 43 and name HG2 ) 4.34 4.34 0.00 peak 1355 assign ( resid 55 and name HG+ ) ( resid 80 and name HD+ ) 4.60 4.60 0.00 peak 1359 assign ( resid 70 and name HA ) ( resid 80 and name HE+ ) 4.08 4.08 0.00 peak 1381 assign ( resid 22 and name HE+ ) ( resid 23 and name HD+ ) 4.08 4.08 0.00 peak 1384 assign ( resid 82 and name HB+ ) ( resid 95 and name HA ) 4.59 4.59 0.00 peak 1388 assign ( resid 97 and name HG2+ ) ( resid 99 and name HB1 ) 4.08 4.08 0.00 peak 1392 assign ( resid 19 and name HE+ ) ( resid 30 and name HA ) 4.07 4.07 0.00 peak 1393 assign ( resid 70 and name HB+ ) ( resid 97 and name HG11 ) 4.58 4.58 0.00 peak 1394 assign ( resid 65 and name HB+ ) ( resid 67 and name HN ) 4.83 4.83 0.00 peak 1398 assign ( resid 77 and name HA ) ( resid 100 and name HD2+ ) 5.00 5.00 0.00 peak 1401 assign ( resid 58 and name HE+ ) ( resid 69 and name HA ) 5.09 5.09 0.00 peak 1402 assign ( resid 60 and name HB ) ( resid 65 and name HB+ ) 4.07 4.07 0.00 peak 1406 assign ( resid 52 and name HA ) ( resid 59 and name HG ) 4.07 4.07 0.00 peak 1412 assign ( resid 15 and name HG1+ ) ( resid 73 and name HD+ ) 4.59 4.59 0.00 peak 1417 assign ( resid 83 and name HN ) ( resid 94 and name HB+ ) 4.06 4.06 0.00 peak 1418 assign ( resid 55 and name HG+ ) ( resid 97 and name HG12 ) 4.06 4.06 0.00 peak 1420 assign ( resid 82 and name HA ) ( resid 95 and name HA ) 4.06 4.06 0.00 peak 1423 assign ( resid 55 and name HG+ ) ( resid 97 and name HB ) 4.06 4.06 0.00 peak 1432 assign ( resid 53 and name HB2 ) ( resid 58 and name HE+ ) 4.05 4.05 0.00 peak 1448 assign ( resid 66 and name HB1 ) ( resid 95 and name HE21 ) 4.05 4.05 0.00 peak 1455 assign ( resid 23 and name HD+ ) ( resid 38 and name HA ) 5.06 5.06 0.00 peak 1462 assign ( resid 14 and name HE+ ) ( resid 65 and name HA ) 4.30 4.30 0.00 peak 1463 assign ( resid 66 and name HD1+ ) ( resid 67 and name HN ) 4.55 4.55 0.00 peak 1468 assign ( resid 71 and name HN ) ( resid 72 and name HA ) 5.05 5.05 0.00 peak 1471 assign ( resid 70 and name HN ) ( resid 72 and name HN ) 4.54 4.54 0.00 peak 1486 assign ( resid 66 and name HB1 ) ( resid 69 and name HB2 ) 4.29 4.29 0.00 peak 1489 assign ( resid 19 and name HB2 ) ( resid 34 and name HB+ ) 4.03 4.03 0.00 peak 1491 assign ( resid 81 and name HG1 ) ( resid 83 and name HA ) 5.04 5.04 0.00 peak 1498 assign ( resid 92 and name HA ) ( resid 93 and name HD+ ) 4.03 4.03 0.00 peak 1502 assign ( resid 55 and name HG+ ) ( resid 96 and name HA ) 4.03 4.03 0.00 peak 1505 assign ( resid 54 and name HG2+ ) ( resid 95 and name HA ) 4.03 4.03 0.00 peak 1507 assign ( resid 85 and name HG1+ ) ( resid 87 and name HD1 ) 4.53 4.53 0.00 peak 1508 assign ( resid 27 and name HA ) ( resid 28 and name HG2+ ) 4.02 4.02 0.00 peak 1510 assign ( resid 80 and name HD+ ) ( resid 97 and name HN ) 4.27 4.27 0.00 peak 1522 assign ( resid 29 and name HD1 ) ( resid 30 and name HN ) 4.01 4.01 0.00 peak 1528 assign ( resid 52 and name HG2+ ) ( resid 94 and name HG2 ) 4.26 4.26 0.00 peak 1535 assign ( resid 87 and name HD2 ) ( resid 91 and name HG2+ ) 5.01 5.01 0.00 peak 1538 assign ( resid 85 and name HG1+ ) ( resid 87 and name HD2 ) 4.53 4.53 0.00 peak 1552 assign ( resid 51 and name HD+ ) ( resid 66 and name HB2 ) 4.05 4.05 0.00 peak 1561 assign ( resid 23 and name HD+ ) ( resid 42 and name HB1 ) 4.00 4.00 0.00 peak 1568 assign ( resid 54 and name HA ) ( resid 56 and name HN ) 4.50 4.50 0.00 peak 1569 assign ( resid 28 and name HG2+ ) ( resid 29 and name HA ) 4.74 4.74 0.00 peak 1570 assign ( resid 92 and name HD1+ ) ( resid 94 and name HN ) 4.25 4.25 0.00 peak 1575 assign ( resid 23 and name HB+ ) ( resid 24 and name HN ) 3.99 3.99 0.00 peak 1577 assign ( resid 22 and name HB1 ) ( resid 23 and name HD+ ) 3.99 3.99 0.00 peak 1580 assign ( resid 84 and name HN ) ( resid 85 and name HN ) 4.24 4.24 0.00 peak 1581 assign ( resid 58 and name HZ ) ( resid 65 and name HA ) 4.49 4.49 0.00 peak 1586 assign ( resid 70 and name HB+ ) ( resid 100 and name HD1+ ) 3.99 3.99 0.00 peak 1588 assign ( resid 15 and name HA ) ( resid 65 and name HB+ ) 4.48 4.48 0.00 peak 1590 assign ( resid 53 and name HB2 ) ( resid 60 and name HG2+ ) 4.73 4.73 0.00 peak 1600 assign ( resid 87 and name HD1 ) ( resid 91 and name HG2+ ) 5.01 5.01 0.00 peak 1601 assign ( resid 72 and name HB1 ) ( resid 73 and name HN ) 4.23 4.23 0.00 peak 1605 assign ( resid 58 and name HD+ ) ( resid 59 and name HA ) 4.47 4.47 0.00 peak 1616 assign ( resid 74 and name HB2 ) ( resid 80 and name HE+ ) 3.97 3.97 0.00 peak 1620 assign ( resid 59 and name HD2+ ) ( resid 94 and name HA ) 4.97 4.97 0.00 peak 1622 assign ( resid 97 and name HB ) ( resid 98 and name HA ) 4.71 4.71 0.00 peak 1633 assign ( resid 54 and name HG2+ ) ( resid 55 and name HA ) 4.71 4.71 0.00 peak 1638 assign ( resid 55 and name HA ) ( resid 57 and name HN ) 4.21 4.21 0.00 peak 1639 assign ( resid 50 and name HA ) ( resid 92 and name HG2+ ) 3.96 3.96 0.00 peak 1649 assign ( resid 23 and name HD+ ) ( resid 38 and name HG2+ ) 3.96 3.96 0.00 peak 1650 assign ( resid 80 and name HB2 ) ( resid 95 and name HE21 ) 3.95 3.95 0.00 peak 1659 assign ( resid 23 and name HE+ ) ( resid 38 and name HG2+ ) 3.95 3.95 0.00 peak 1660 assign ( resid 79 and name HB2 ) ( resid 100 and name HD1+ ) 4.19 4.19 0.00 peak 1675 assign ( resid 56 and name HB1 ) ( resid 58 and name HD+ ) 3.94 3.94 0.00 peak 1678 assign ( resid 79 and name HB1 ) ( resid 97 and name HG2+ ) 4.44 4.44 0.00 peak 1683 assign ( resid 19 and name HA ) ( resid 19 and name HE+ ) 4.68 4.68 0.00 peak 1687 assign ( resid 19 and name HE+ ) ( resid 31 and name HA ) 3.94 3.94 0.00 peak 1690 assign ( resid 16 and name HN ) ( resid 16 and name HB2 ) 3.93 3.93 0.00 peak 1702 assign ( resid 92 and name HG2+ ) ( resid 93 and name HD+ ) 4.18 4.18 0.00 peak 1707 assign ( resid 31 and name HD2+ ) ( resid 34 and name HB+ ) 3.93 3.93 0.00 peak 1711 assign ( resid 79 and name HB2 ) ( resid 98 and name HD21 ) 3.93 3.93 0.00 peak 1712 assign ( resid 22 and name HN ) ( resid 59 and name HB2 ) 3.93 3.93 0.00 peak 1714 assign ( resid 90 and name HN ) ( resid 90 and name HB2 ) 4.17 4.17 0.00 peak 1724 assign ( resid 67 and name HA ) ( resid 70 and name HN ) 5.05 5.05 0.00 peak 1733 assign ( resid 68 and name HA ) ( resid 70 and name HN ) 5.37 5.37 0.00 peak 1733 assign ( resid 30 and name HB1 ) ( resid 32 and name HB1 ) 3.91 3.91 0.00 peak 1738 assign ( resid 28 and name HN ) ( resid 34 and name HD+ ) 3.91 3.91 0.00 peak 1740 assign ( resid 52 and name HG2+ ) ( resid 59 and name HB1 ) 4.40 4.40 0.00 peak 1742 assign ( resid 55 and name HB1 ) ( resid 97 and name HD1+ ) 3.91 3.91 0.00 peak 1747 assign ( resid 93 and name HA ) ( resid 93 and name HD+ ) 3.92 3.92 0.00 peak 1748 assign ( resid 97 and name HG2+ ) ( resid 99 and name HA ) 4.63 4.63 0.00 peak 1754 assign ( resid 69 and name HB1 ) ( resid 95 and name HE21 ) 4.63 4.63 0.00 peak 1761 assign ( resid 60 and name HG2+ ) ( resid 65 and name HN ) 3.89 3.89 0.00 peak 1766 assign ( resid 80 and name HA ) ( resid 81 and name HB1 ) 4.13 4.13 0.00 peak 1782 assign ( resid 51 and name HA ) ( resid 59 and name HD2+ ) 3.88 3.88 0.00 peak 1784 assign ( resid 31 and name HA ) ( resid 31 and name HG ) 3.88 3.88 0.00 peak 1787 assign ( resid 19 and name HE+ ) ( resid 29 and name HA ) 3.88 3.88 0.00 peak 1808 assign ( resid 70 and name HD21 ) ( resid 100 and name HD2+ ) 4.84 4.84 0.00 peak 1809 assign ( resid 23 and name HD+ ) ( resid 38 and name HG1+ ) 4.36 4.36 0.00 peak 1812 assign ( resid 19 and name HB2 ) ( resid 34 and name HD+ ) 3.87 3.87 0.00 peak 1813 assign ( resid 22 and name HB1 ) ( resid 22 and name HD+ ) 3.87 3.87 0.00 peak 1822 assign ( resid 32 and name HB2 ) ( resid 33 and name HN ) 3.87 3.87 0.00 peak 1825 assign ( resid 100 and name HN ) ( resid 100 and name HD2+ ) 3.87 3.87 0.00 peak 1829 assign ( resid 83 and name HG2+ ) ( resid 94 and name HG2 ) 4.59 4.59 0.00 peak 1834 assign ( resid 58 and name HE+ ) ( resid 73 and name HD+ ) 4.59 4.59 0.00 peak 1841 assign ( resid 52 and name HG2+ ) ( resid 60 and name HN ) 4.58 4.58 0.00 peak 1843 assign ( resid 51 and name HD+ ) ( resid 93 and name HN ) 3.86 3.86 0.00 peak 1848 assign ( resid 70 and name HD22 ) ( resid 100 and name HD1+ ) 4.34 4.34 0.00 peak 1859 assign ( resid 31 and name HD2+ ) ( resid 35 and name HB ) 4.82 4.82 0.00 peak 1865 assign ( resid 31 and name HA ) ( resid 34 and name HD+ ) 3.85 3.85 0.00 peak 1866 assign ( resid 80 and name HD+ ) ( resid 95 and name HE22 ) 3.85 3.85 0.00 peak 1869 assign ( resid 73 and name HA ) ( resid 73 and name HE+ ) 4.81 4.81 0.00 peak 1881 assign ( resid 58 and name HZ ) ( resid 60 and name HB ) 3.85 3.85 0.00 peak 1882 assign ( resid 52 and name HA ) ( resid 60 and name HG2+ ) 3.84 3.84 0.00 peak 1890 assign ( resid 87 and name HA ) ( resid 91 and name HG2+ ) 4.55 4.55 0.00 peak 1909 assign ( resid 58 and name HZ ) ( resid 66 and name HA ) 4.63 4.63 0.00 peak 1910 assign ( resid 66 and name HA ) ( resid 95 and name HE21 ) 4.97 4.97 0.00 peak 1910 assign ( resid 70 and name HB+ ) ( resid 100 and name HD2+ ) 3.83 3.83 0.00 peak 1912 assign ( resid 58 and name HE+ ) ( resid 69 and name HB2 ) 3.83 3.83 0.00 peak 1926 assign ( resid 83 and name HG2+ ) ( resid 94 and name HB+ ) 3.82 3.82 0.00 peak 1941 assign ( resid 51 and name HA ) ( resid 92 and name HD1+ ) 4.06 4.06 0.00 peak 1945 assign ( resid 23 and name HD+ ) ( resid 45 and name HG2+ ) 3.93 3.93 0.00 peak 1949 assign ( resid 80 and name HB2 ) ( resid 81 and name HN ) 4.29 4.29 0.00 peak 1956 assign ( resid 28 and name HG2+ ) ( resid 30 and name HB1 ) 4.76 4.76 0.00 peak 1961 assign ( resid 52 and name HG2+ ) ( resid 86 and name HG+ ) 4.76 4.76 0.00 peak 1968 assign ( resid 56 and name HB2 ) ( resid 58 and name HD+ ) 3.80 3.80 0.00 peak 1975 assign ( resid 52 and name HB ) ( resid 59 and name HD1+ ) 3.80 3.80 0.00 peak 1977 assign ( resid 86 and name HB2 ) ( resid 92 and name HN ) 3.80 3.80 0.00 peak 1985 assign ( resid 52 and name HG1+ ) ( resid 86 and name HB2 ) 3.80 3.80 0.00 peak 1987 assign ( resid 52 and name HG1+ ) ( resid 57 and name HA ) 4.03 4.03 0.00 peak 1991 assign ( resid 79 and name HB2 ) ( resid 97 and name HG2+ ) 3.79 3.79 0.00 peak 1992 assign ( resid 90 and name HN ) ( resid 92 and name HG11 ) 4.74 4.74 0.00 peak 1995 assign ( resid 51 and name HD+ ) ( resid 93 and name HB1 ) 4.03 4.03 0.00 peak 2000 assign ( resid 74 and name HN ) ( resid 75 and name HD2 ) 4.26 4.26 0.00 peak 2006 assign ( resid 52 and name HG1+ ) ( resid 86 and name HG+ ) 3.78 3.78 0.00 peak 2016 assign ( resid 87 and name HA ) ( resid 87 and name HG+ ) 3.79 3.79 0.00 peak 2020 assign ( resid 52 and name HN ) ( resid 59 and name HD2+ ) 3.78 3.78 0.00 peak 2023 assign ( resid 14 and name HD+ ) ( resid 15 and name HB ) 4.01 4.01 0.00 peak 2024 assign ( resid 77 and name HG2 ) ( resid 100 and name HD2+ ) 3.78 3.78 0.00 peak 2025 assign ( resid 52 and name HG2+ ) ( resid 95 and name HN ) 4.72 4.72 0.00 peak 2026 assign ( resid 80 and name HD+ ) ( resid 100 and name HD1+ ) 4.48 4.48 0.00 peak 2027 assign ( resid 54 and name HG2+ ) ( resid 96 and name HA ) 3.78 3.78 0.00 peak 2028 assign ( resid 28 and name HA ) ( resid 29 and name HD2 ) 3.77 3.77 0.00 peak 2030 assign ( resid 34 and name HD+ ) ( resid 35 and name HG2+ ) 3.77 3.77 0.00 peak 2032 assign ( resid 14 and name HE+ ) ( resid 15 and name HG1+ ) 3.77 3.77 0.00 peak 2033 assign ( resid 72 and name HA ) ( resid 73 and name HD+ ) 4.47 4.47 0.00 peak 2043 assign ( resid 81 and name HG2 ) ( resid 82 and name HN ) 4.00 4.00 0.00 peak 2053 assign ( resid 21 and name HB1 ) ( resid 23 and name HD+ ) 3.76 3.76 0.00 peak 2056 assign ( resid 54 and name HG2+ ) ( resid 94 and name HA ) 3.76 3.76 0.00 peak 2057 assign ( resid 68 and name HB2 ) ( resid 71 and name HG ) 4.70 4.70 0.00 peak 2059 assign ( resid 52 and name HB ) ( resid 94 and name HA ) 4.46 4.46 0.00 peak 2064 assign ( resid 19 and name HD+ ) ( resid 29 and name HA ) 3.76 3.76 0.00 peak 2066 assign ( resid 59 and name HD2+ ) ( resid 86 and name HD+ ) 5.15 5.15 0.00 peak 2078 assign ( resid 85 and name HG2+ ) ( resid 86 and name HD+ ) 5.42 5.42 0.00 peak 2078 assign ( resid 86 and name HE+ ) ( resid 89 and name HD21 ) 3.98 3.98 0.00 peak 2081 assign ( resid 62 and name HD1 ) ( resid 65 and name HB+ ) 3.74 3.74 0.00 peak 2087 assign ( resid 19 and name HE+ ) ( resid 28 and name HG2+ ) 5.39 5.39 0.00 peak 2089 assign ( resid 72 and name HG1 ) ( resid 73 and name HD+ ) 3.74 3.74 0.00 peak 2094 assign ( resid 22 and name HN ) ( resid 59 and name HB1 ) 4.09 4.09 0.00 peak 2099 assign ( resid 52 and name HB ) ( resid 92 and name HB ) 4.43 4.43 0.00 peak 2104 assign ( resid 54 and name HG2+ ) ( resid 96 and name HN ) 3.80 3.80 0.00 peak 2114 assign ( resid 52 and name HG2+ ) ( resid 59 and name HG ) 3.73 3.73 0.00 peak 2119 assign ( resid 72 and name HB1 ) ( resid 73 and name HD+ ) 4.19 4.19 0.00 peak 2126 assign ( resid 97 and name HG2+ ) ( resid 98 and name HA ) 4.19 4.19 0.00 peak 2129 assign ( resid 15 and name HG2+ ) ( resid 16 and name HA ) 4.65 4.65 0.00 peak 2130 assign ( resid 70 and name HA ) ( resid 100 and name HB2 ) 4.65 4.65 0.00 peak 2133 assign ( resid 56 and name HN ) ( resid 58 and name HD+ ) 4.18 4.18 0.00 peak 2138 assign ( resid 32 and name HD21 ) ( resid 36 and name HB2 ) 3.71 3.71 0.00 peak 2148 assign ( resid 54 and name HG2+ ) ( resid 94 and name HG1 ) 4.40 4.40 0.00 peak 2160 assign ( resid 59 and name HD1+ ) ( resid 86 and name HD+ ) 4.40 4.40 0.00 peak 2163 assign ( resid 52 and name HA ) ( resid 60 and name HN ) 3.70 3.70 0.00 peak 2174 assign ( resid 23 and name HD+ ) ( resid 45 and name HG1+ ) 3.93 3.93 0.00 peak 2176 assign ( resid 102 and name HA ) ( resid 102 and name HD+ ) 3.76 3.76 0.00 peak 2179 assign ( resid 58 and name HE+ ) ( resid 60 and name HB ) 3.69 3.69 0.00 peak 2182 assign ( resid 30 and name HB2 ) ( resid 34 and name HN ) 4.38 4.38 0.00 peak 2184 assign ( resid 84 and name HN ) ( resid 85 and name HG1+ ) 4.15 4.15 0.00 peak 2187 assign ( resid 52 and name HG1+ ) ( resid 94 and name HA ) 3.69 3.69 0.00 peak 2188 assign ( resid 69 and name HA ) ( resid 72 and name HG2 ) 4.61 4.61 0.00 peak 2189 assign ( resid 72 and name HE+ ) ( resid 73 and name HE+ ) 3.69 3.69 0.00 peak 2191 assign ( resid 69 and name HB1 ) ( resid 70 and name HB+ ) 3.91 3.91 0.00 peak 2193 assign ( resid 62 and name HD2 ) ( resid 65 and name HB+ ) 3.74 3.74 0.00 peak 2197 assign ( resid 59 and name HD1+ ) ( resid 92 and name HG12 ) 3.68 3.68 0.00 peak 2198 assign ( resid 22 and name HN ) ( resid 22 and name HB2 ) 3.86 3.86 0.00 peak 2207 assign ( resid 89 and name HB2 ) ( resid 90 and name HE22 ) 3.67 3.67 0.00 peak 2209 assign ( resid 72 and name HG2 ) ( resid 73 and name HE+ ) 4.36 4.36 0.00 peak 2217 assign ( resid 16 and name HA ) ( resid 72 and name HE+ ) 3.90 3.90 0.00 peak 2218 assign ( resid 70 and name HA ) ( resid 100 and name HD2+ ) 4.13 4.13 0.00 peak 2222 assign ( resid 80 and name HA ) ( resid 98 and name HN ) 4.34 4.34 0.00 peak 2244 assign ( resid 50 and name HA ) ( resid 59 and name HD2+ ) 4.12 4.12 0.00 peak 2245 assign ( resid 99 and name HB1 ) ( resid 100 and name HD2+ ) 3.88 3.88 0.00 peak 2247 assign ( resid 70 and name HB+ ) ( resid 80 and name HE+ ) 3.65 3.65 0.00 peak 2256 assign ( resid 23 and name HD+ ) ( resid 24 and name HN ) 4.33 4.33 0.00 peak 2263 assign ( resid 86 and name HE+ ) ( resid 92 and name HD1+ ) 3.64 3.64 0.00 peak 2269 assign ( resid 58 and name HE+ ) ( resid 73 and name HE+ ) 4.54 4.54 0.00 peak 2284 assign ( resid 38 and name HA ) ( resid 42 and name HB2 ) 4.54 4.54 0.00 peak 2286 assign ( resid 80 and name HD+ ) ( resid 95 and name HG2 ) 3.63 3.63 0.00 peak 2292 assign ( resid 66 and name HB1 ) ( resid 95 and name HG2 ) 4.53 4.53 0.00 peak 2294 assign ( resid 27 and name HG2 ) ( resid 28 and name HA ) 3.61 3.61 0.00 peak 2310 assign ( resid 19 and name HD+ ) ( resid 34 and name HB+ ) 3.64 3.64 0.00 peak 2312 assign ( resid 68 and name HA ) ( resid 72 and name HG2 ) 4.07 4.07 0.00 peak 2315 assign ( resid 77 and name HN ) ( resid 100 and name HD1+ ) 3.61 3.61 0.00 peak 2316 assign ( resid 59 and name HG ) ( resid 92 and name HG12 ) 3.61 3.61 0.00 peak 2323 assign ( resid 42 and name HB1 ) ( resid 43 and name HD2 ) 4.50 4.50 0.00 peak 2337 assign ( resid 86 and name HA ) ( resid 86 and name HD+ ) 3.60 3.60 0.00 peak 2338 assign ( resid 97 and name HB ) ( resid 101 and name HG2+ ) 5.21 5.21 0.00 peak 2342 assign ( resid 86 and name HB1 ) ( resid 92 and name HG11 ) 3.68 3.68 0.00 peak 2352 assign ( resid 33 and name HA ) ( resid 36 and name HD+ ) 3.58 3.58 0.00 peak 2361 assign ( resid 53 and name HA ) ( resid 54 and name HG2+ ) 3.57 3.57 0.00 peak 2371 assign ( resid 80 and name HB1 ) ( resid 95 and name HB+ ) 4.24 4.24 0.00 peak 2376 assign ( resid 19 and name HD+ ) ( resid 31 and name HD1+ ) 4.24 4.24 0.00 peak 2383 assign ( resid 50 and name HB2 ) ( resid 92 and name HG2+ ) 3.56 3.56 0.00 peak 2388 assign ( resid 97 and name HG2+ ) ( resid 99 and name HB2 ) 3.56 3.56 0.00 peak 2390 assign ( resid 51 and name HA ) ( resid 51 and name HD+ ) 3.56 3.56 0.00 peak 2391 assign ( resid 15 and name HN ) ( resid 15 and name HG2+ ) 3.78 3.78 0.00 peak 2393 assign ( resid 51 and name HN ) ( resid 59 and name HD2+ ) 3.55 3.55 0.00 peak 2398 assign ( resid 38 and name HG1+ ) ( resid 39 and name HA ) 4.11 4.11 0.00 peak 2400 assign ( resid 52 and name HG2+ ) ( resid 57 and name HA ) 4.23 4.23 0.00 peak 2400 assign ( resid 75 and name HA ) ( resid 100 and name HD1+ ) 4.71 4.71 0.00 peak 2403 assign ( resid 97 and name HA ) ( resid 100 and name HD1+ ) 5.11 5.11 0.00 peak 2403 assign ( resid 93 and name HN ) ( resid 93 and name HD+ ) 3.53 3.53 0.00 peak 2420 assign ( resid 72 and name HB2 ) ( resid 73 and name HE+ ) 3.53 3.53 0.00 peak 2421 assign ( resid 86 and name HG+ ) ( resid 91 and name HA ) 4.41 4.41 0.00 peak 2426 assign ( resid 86 and name HE+ ) ( resid 94 and name HG2 ) 3.97 3.97 0.00 peak 2427 assign ( resid 14 and name HA ) ( resid 14 and name HD+ ) 3.74 3.74 0.00 peak 2437 assign ( resid 85 and name HG2+ ) ( resid 94 and name HG2 ) 4.18 4.18 0.00 peak 2438 assign ( resid 52 and name HG1+ ) ( resid 86 and name HD+ ) 3.51 3.51 0.00 peak 2447 assign ( resid 70 and name HA ) ( resid 100 and name HD1+ ) 3.51 3.51 0.00 peak 2457 assign ( resid 19 and name HA ) ( resid 19 and name HD+ ) 3.51 3.51 0.00 peak 2458 assign ( resid 52 and name HG1+ ) ( resid 86 and name HE+ ) 3.51 3.51 0.00 peak 2459 assign ( resid 68 and name HA ) ( resid 69 and name HN ) 3.51 3.51 0.00 peak 2463 assign ( resid 74 and name HB1 ) ( resid 100 and name HB2 ) 4.04 4.04 0.00 peak 2466 assign ( resid 86 and name HG+ ) ( resid 92 and name HG11 ) 4.09 4.09 0.00 peak 2472 assign ( resid 28 and name HG2+ ) ( resid 34 and name HA ) 3.50 3.50 0.00 peak 2476 assign ( resid 52 and name HG2+ ) ( resid 59 and name HA ) 3.49 3.49 0.00 peak 2481 assign ( resid 72 and name HB2 ) ( resid 73 and name HD+ ) 3.49 3.49 0.00 peak 2482 assign ( resid 31 and name HB1 ) ( resid 35 and name HG2+ ) 4.15 4.15 0.00 peak 2483 assign ( resid 72 and name HG1 ) ( resid 72 and name HE+ ) 3.49 3.49 0.00 peak 2485 assign ( resid 85 and name HG2+ ) ( resid 94 and name HB+ ) 3.49 3.49 0.00 peak 2489 assign ( resid 52 and name HA ) ( resid 59 and name HD2+ ) 3.49 3.49 0.00 peak 2491 assign ( resid 52 and name HG2+ ) ( resid 94 and name HA ) 4.36 4.36 0.00 peak 2493 assign ( resid 16 and name HG+ ) ( resid 27 and name HE22 ) 4.33 4.33 0.00 peak 2499 assign ( resid 31 and name HB1 ) ( resid 32 and name HN ) 3.47 3.47 0.00 peak 2520 assign ( resid 80 and name HD+ ) ( resid 95 and name HG1 ) 3.74 3.74 0.00 peak 2522 assign ( resid 90 and name HB2 ) ( resid 92 and name HG2+ ) 3.90 3.90 0.00 peak 2525 assign ( resid 51 and name HB+ ) ( resid 60 and name HG2+ ) 3.46 3.46 0.00 peak 2527 assign ( resid 72 and name HG2 ) ( resid 72 and name HE+ ) 3.45 3.45 0.00 peak 2549 assign ( resid 86 and name HB2 ) ( resid 94 and name HG1 ) 3.66 3.66 0.00 peak 2553 assign ( resid 58 and name HE+ ) ( resid 66 and name HA ) 3.87 3.87 0.00 peak 2557 assign ( resid 58 and name HD+ ) ( resid 59 and name HN ) 3.44 3.44 0.00 peak 2561 assign ( resid 86 and name HD+ ) ( resid 92 and name HG11 ) 4.05 4.05 0.00 peak 2562 assign ( resid 72 and name HG1 ) ( resid 73 and name HE+ ) 3.44 3.44 0.00 peak 2566 assign ( resid 18 and name HA1 ) ( resid 29 and name HA ) 3.44 3.44 0.00 peak 2567 assign ( resid 69 and name HA ) ( resid 73 and name HE+ ) 3.87 3.87 0.00 peak 2569 assign ( resid 81 and name HE+ ) ( resid 83 and name HG2+ ) 3.43 3.43 0.00 peak 2572 assign ( resid 52 and name HB ) ( resid 92 and name HD1+ ) 3.43 3.43 0.00 peak 2581 assign ( resid 92 and name HD1+ ) ( resid 94 and name HG1 ) 3.42 3.42 0.00 peak 2583 assign ( resid 51 and name HD+ ) ( resid 93 and name HD+ ) 3.41 3.41 0.00 peak 2595 assign ( resid 36 and name HN ) ( resid 36 and name HD+ ) 4.25 4.25 0.00 peak 2608 assign ( resid 22 and name HD+ ) ( resid 59 and name HB1 ) 4.04 4.04 0.00 peak 2610 assign ( resid 75 and name HA ) ( resid 100 and name HD2+ ) 3.39 3.39 0.00 peak 2622 assign ( resid 65 and name HB+ ) ( resid 66 and name HD1+ ) 4.26 4.26 0.00 peak 2625 assign ( resid 82 and name HB+ ) ( resid 93 and name HD+ ) 4.23 4.23 0.00 peak 2627 assign ( resid 19 and name HD+ ) ( resid 28 and name HG2+ ) 3.99 3.99 0.00 peak 2632 assign ( resid 70 and name HB+ ) ( resid 70 and name HD21 ) 3.39 3.39 0.00 peak 2633 assign ( resid 92 and name HD1+ ) ( resid 94 and name HG2 ) 3.38 3.38 0.00 peak 2634 assign ( resid 52 and name HB ) ( resid 59 and name HD2+ ) 3.38 3.38 0.00 peak 2641 assign ( resid 90 and name HG+ ) ( resid 92 and name HG2+ ) 3.37 3.37 0.00 peak 2646 assign ( resid 97 and name HG12 ) ( resid 100 and name HD1+ ) 3.37 3.37 0.00 peak 2647 assign ( resid 31 and name HD1+ ) ( resid 35 and name HG2+ ) 3.37 3.37 0.00 peak 2649 assign ( resid 50 and name HB1 ) ( resid 92 and name HG2+ ) 3.56 3.56 0.00 peak 2656 assign ( resid 81 and name HG2 ) ( resid 96 and name HG2+ ) 4.20 4.20 0.00 peak 2658 assign ( resid 31 and name HD1+ ) ( resid 34 and name HD+ ) 3.36 3.36 0.00 peak 2664 assign ( resid 51 and name HD+ ) ( resid 93 and name HB2 ) 3.36 3.36 0.00 peak 2669 assign ( resid 81 and name HE+ ) ( resid 96 and name HG2+ ) 3.77 3.77 0.00 peak 2673 assign ( resid 68 and name HA ) ( resid 71 and name HN ) 3.35 3.35 0.00 peak 2675 assign ( resid 62 and name HG2 ) ( resid 65 and name HN ) 3.86 3.86 0.00 peak 2681 assign ( resid 54 and name HG1+ ) ( resid 85 and name HG2+ ) 3.91 3.91 0.00 peak 2686 assign ( resid 34 and name HA ) ( resid 34 and name HD+ ) 3.35 3.35 0.00 peak 2687 assign ( resid 23 and name HE+ ) ( resid 59 and name HB1 ) 3.96 3.96 0.00 peak 2696 assign ( resid 72 and name HG2 ) ( resid 73 and name HD+ ) 3.54 3.54 0.00 peak 2697 assign ( resid 91 and name HA ) ( resid 91 and name HG2+ ) 3.39 3.39 0.00 peak 2698 assign ( resid 19 and name HE+ ) ( resid 31 and name HD1+ ) 4.16 4.16 0.00 peak 2704 assign ( resid 59 and name HA ) ( resid 66 and name HD1+ ) 5.02 5.02 0.00 peak 2708 assign ( resid 31 and name HD2+ ) ( resid 34 and name HD+ ) 3.32 3.32 0.00 peak 2709 assign ( resid 59 and name HD1+ ) ( resid 92 and name HG11 ) 3.74 3.74 0.00 peak 2711 assign ( resid 80 and name HD+ ) ( resid 97 and name HA ) 3.93 3.93 0.00 peak 2721 assign ( resid 58 and name HD+ ) ( resid 60 and name HG2+ ) 3.92 3.92 0.00 peak 2722 assign ( resid 15 and name HG1+ ) ( resid 65 and name HB+ ) 3.30 3.30 0.00 peak 2725 assign ( resid 19 and name HD+ ) ( resid 31 and name HD2+ ) 3.75 3.75 0.00 peak 2727 assign ( resid 23 and name HE+ ) ( resid 38 and name HG1+ ) 4.06 4.06 0.00 peak 2727 assign ( resid 54 and name HG1+ ) ( resid 83 and name HG2+ ) 3.28 3.28 0.00 peak 2746 assign ( resid 92 and name HA ) ( resid 92 and name HG11 ) 3.69 3.69 0.00 peak 2747 assign ( resid 15 and name HN ) ( resid 15 and name HB ) 3.41 3.41 0.00 peak 2749 assign ( resid 69 and name HA ) ( resid 73 and name HD+ ) 3.27 3.27 0.00 peak 2751 assign ( resid 14 and name HA ) ( resid 15 and name HN ) 3.26 3.26 0.00 peak 2757 assign ( resid 82 and name HB+ ) ( resid 95 and name HG1 ) 3.86 3.86 0.00 peak 2765 assign ( resid 54 and name HG2+ ) ( resid 83 and name HG2+ ) 3.25 3.25 0.00 peak 2769 assign ( resid 81 and name HG2 ) ( resid 81 and name HE+ ) 3.24 3.24 0.00 peak 2770 assign ( resid 72 and name HE+ ) ( resid 73 and name HD+ ) 3.24 3.24 0.00 peak 2771 assign ( resid 14 and name HG+ ) ( resid 14 and name HE+ ) 3.24 3.24 0.00 peak 2773 assign ( resid 86 and name HG+ ) ( resid 89 and name HD21 ) 3.24 3.24 0.00 peak 2777 assign ( resid 52 and name HG1+ ) ( resid 94 and name HB+ ) 3.30 3.30 0.00 peak 2779 assign ( resid 15 and name HB ) ( resid 65 and name HB+ ) 3.70 3.70 0.00 peak 2784 assign ( resid 80 and name HD+ ) ( resid 97 and name HG12 ) 3.43 3.43 0.00 peak 2788 assign ( resid 55 and name HA ) ( resid 96 and name HG2+ ) 3.63 3.63 0.00 peak 2789 assign ( resid 86 and name HB1 ) ( resid 92 and name HD1+ ) 3.28 3.28 0.00 peak 2799 assign ( resid 70 and name HD21 ) ( resid 80 and name HD+ ) 3.21 3.21 0.00 peak 2800 assign ( resid 86 and name HD+ ) ( resid 92 and name HD1+ ) 3.21 3.21 0.00 peak 2802 assign ( resid 70 and name HD22 ) ( resid 80 and name HD+ ) 3.20 3.20 0.00 peak 2803 assign ( resid 58 and name HZ ) ( resid 65 and name HB+ ) 3.20 3.20 0.00 peak 2806 assign ( resid 92 and name HN ) ( resid 92 and name HG12 ) 3.78 3.78 0.00 peak 2814 assign ( resid 58 and name HA ) ( resid 58 and name HD+ ) 3.57 3.57 0.00 peak 2819 assign ( resid 58 and name HE+ ) ( resid 65 and name HB+ ) 3.16 3.16 0.00 peak 2827 assign ( resid 33 and name HA ) ( resid 33 and name HG2 ) 4.07 4.07 0.00 peak 2839 assign ( resid 54 and name HG2+ ) ( resid 94 and name HB+ ) 3.67 3.67 0.00 peak 2840 assign ( resid 58 and name HZ ) ( resid 60 and name HG2+ ) 3.14 3.14 0.00 peak 2843 assign ( resid 80 and name HD+ ) ( resid 97 and name HG2+ ) 3.92 3.92 0.00 peak 2851 assign ( resid 55 and name HG+ ) ( resid 97 and name HD1+ ) 3.12 3.12 0.00 peak 2855 assign ( resid 59 and name HD2+ ) ( resid 92 and name HB ) 3.10 3.10 0.00 peak 2863 assign ( resid 52 and name HG2+ ) ( resid 58 and name HN ) 3.07 3.07 0.00 peak 2877 assign ( resid 36 and name HA ) ( resid 36 and name HD+ ) 3.07 3.07 0.00 peak 2878 assign ( resid 80 and name HD+ ) ( resid 97 and name HG11 ) 3.44 3.44 0.00 peak 2885 assign ( resid 80 and name HN ) ( resid 80 and name HD+ ) 3.81 3.81 0.00 peak 2888 assign ( resid 14 and name HD+ ) ( resid 14 and name HE+ ) 2.99 2.99 0.00 peak 2912 assign ( resid 28 and name HG2+ ) ( resid 34 and name HD+ ) 2.99 2.99 0.00 peak 2913 assign ( resid 92 and name HA ) ( resid 92 and name HG2+ ) 2.99 2.99 0.00 peak 2915 assign ( resid 73 and name HA ) ( resid 73 and name HD+ ) 3.17 3.17 0.00 peak 2917 assign ( resid 77 and name HG1 ) ( resid 100 and name HD2+ ) 3.78 3.78 0.00 peak 2920 assign ( resid 65 and name HB+ ) ( resid 66 and name HN ) 2.98 2.98 0.00 peak 2921 assign ( resid 58 and name HE+ ) ( resid 60 and name HG2+ ) 2.96 2.96 0.00 peak 2924 assign ( resid 23 and name HA ) ( resid 23 and name HD+ ) 3.63 3.63 0.00 peak 2939 assign ( resid 87 and name HB1 ) ( resid 87 and name HG+ ) 2.89 2.89 0.00 peak 2941 assign ( resid 60 and name HG2+ ) ( resid 65 and name HB+ ) 2.85 2.85 0.00 peak 2953 assign ( resid 80 and name HA ) ( resid 80 and name HD+ ) 2.82 2.82 0.00 peak 2963 assign ( resid 71 and name HG ) ( resid 72 and name HG2 ) 2.81 2.81 0.00 peak 2965 assign ( resid 81 and name HG1 ) ( resid 81 and name HD+ ) 2.81 2.81 0.00 peak 2967 assign ( resid 90 and name HB2 ) ( resid 90 and name HG+ ) 2.74 2.74 0.00 peak 2983 assign ( resid 92 and name HG2+ ) ( resid 92 and name HG12 ) 2.99 2.99 0.00 peak 2984 assign ( resid 19 and name HE+ ) ( resid 31 and name HD2+ ) 2.71 2.71 0.00 peak 2988 assign ( resid 86 and name HB2 ) ( resid 92 and name HG11 ) 2.87 2.87 0.00 peak 2992 assign ( resid 96 and name HG2+ ) ( resid 101 and name HG2+ ) 3.03 3.03 0.00 peak 2994 assign ( resid 86 and name HG+ ) ( resid 86 and name HD+ ) 2.66 2.66 0.00 peak 2999 assign ( resid 14 and name HG+ ) ( resid 14 and name HD+ ) 2.76 2.76 0.00 peak 3009 assign ( resid 92 and name HB ) ( resid 92 and name HD1+ ) 3.20 3.20 0.00 peak 3022 assign ( resid 27 and name HB1 ) ( resid 27 and name HG2 ) 2.86 2.86 0.00 peak 3023 assign ( resid 59 and name HD2+ ) ( resid 92 and name HG2+ ) 2.58 2.58 0.00 peak 3031 assign ( resid 59 and name HD2+ ) ( resid 92 and name HD1+ ) 2.83 2.83 0.00 peak 3031 assign ( resid 22 and name HB2 ) ( resid 59 and name HB1 ) 2.76 2.76 0.00 peak 3049 assign ( resid 83 and name HN ) ( resid 94 and name HG1 ) 5.19 5.19 0.00 peak 3058 assign ( resid 80 and name HA ) ( resid 95 and name HG2 ) 4.57 4.57 0.00 peak 3063 assign ( resid 91 and name HA ) ( resid 92 and name HG11 ) 4.56 4.56 0.00 peak 3069 assign ( resid 38 and name HB ) ( resid 39 and name HB2 ) 5.50 5.50 0.00 peak 3072 assign ( resid 39 and name HB2 ) ( resid 43 and name HB1 ) 5.50 5.50 0.00 peak 3072 assign ( resid 30 and name HA ) ( resid 31 and name HA ) 4.57 4.57 0.00 peak 3077 assign ( resid 70 and name HN ) ( resid 71 and name HB2 ) 5.50 5.50 0.00 peak 3078 assign ( resid 52 and name HB ) ( resid 53 and name HN ) 4.26 4.26 0.00 peak 3086 assign ( resid 90 and name HE22 ) ( resid 92 and name HG2+ ) 4.75 4.75 0.00 peak 3090 assign ( resid 90 and name HE22 ) ( resid 92 and name HD1+ ) 5.24 5.24 0.00 peak 3090 assign ( resid 28 and name HG2+ ) ( resid 29 and name HD2 ) 4.52 4.52 0.00 peak 3092 assign ( resid 66 and name HG ) ( resid 67 and name HN ) 5.07 5.07 0.00 peak 3096 assign ( resid 52 and name HG1+ ) ( resid 54 and name HN ) 4.62 4.62 0.00 peak 3103 assign ( resid 39 and name HA ) ( resid 43 and name HB1 ) 4.47 4.47 0.00 peak 3109 assign ( resid 32 and name HA ) ( resid 34 and name HN ) 4.75 4.75 0.00 peak 3111 assign ( resid 58 and name HA ) ( resid 59 and name HG ) 4.83 4.83 0.00 peak 3113 assign ( resid 78 and name HA ) ( resid 79 and name HB2 ) 5.02 5.02 0.00 peak 3114 assign ( resid 35 and name HA ) ( resid 38 and name HG2+ ) 4.46 4.46 0.00 peak 3115 assign ( resid 65 and name HA ) ( resid 67 and name HN ) 5.01 5.01 0.00 peak 3118 assign ( resid 72 and name HA ) ( resid 74 and name HN ) 5.50 5.50 0.00 peak 3119 assign ( resid 98 and name HA ) ( resid 98 and name HD22 ) 4.99 4.99 0.00 peak 3123 assign ( resid 38 and name HB ) ( resid 39 and name HB1 ) 5.50 5.50 0.00 peak 3128 assign ( resid 39 and name HB1 ) ( resid 43 and name HB1 ) 5.50 5.50 0.00 peak 3128 assign ( resid 84 and name HG+ ) ( resid 93 and name HB2 ) 4.99 4.99 0.00 peak 3133 assign ( resid 73 and name HA ) ( resid 75 and name HD1 ) 4.40 4.40 0.00 peak 3143 assign ( resid 15 and name HA ) ( resid 16 and name HG+ ) 4.40 4.40 0.00 peak 3144 assign ( resid 22 and name HA ) ( resid 22 and name HE+ ) 4.67 4.67 0.00 peak 3145 assign ( resid 72 and name HB1 ) ( resid 73 and name HA ) 5.50 5.50 0.00 peak 3147 assign ( resid 37 and name HB2 ) ( resid 38 and name HN ) 4.39 4.39 0.00 peak 3149 assign ( resid 38 and name HN ) ( resid 38 and name HG2+ ) 4.37 4.37 0.00 peak 3155 assign ( resid 45 and name HG2+ ) ( resid 46 and name HA ) 5.13 5.13 0.00 peak 3156 assign ( resid 58 and name HA ) ( resid 59 and name HD1+ ) 5.30 5.30 0.00 peak 3158 assign ( resid 91 and name HA ) ( resid 92 and name HG12 ) 5.45 5.45 0.00 peak 3163 assign ( resid 28 and name HG2+ ) ( resid 29 and name HD1 ) 4.89 4.89 0.00 peak 3165 assign ( resid 85 and name HA ) ( resid 86 and name HB1 ) 5.15 5.15 0.00 peak 3167 assign ( resid 35 and name HG2+ ) ( resid 36 and name HB2 ) 4.34 4.34 0.00 peak 3169 assign ( resid 97 and name HN ) ( resid 98 and name HN ) 4.60 4.60 0.00 peak 3170 assign ( resid 42 and name HA ) ( resid 43 and name HG1 ) 4.87 4.87 0.00 peak 3174 assign ( resid 18 and name HA2 ) ( resid 29 and name HB1 ) 4.32 4.32 0.00 peak 3181 assign ( resid 54 and name HN ) ( resid 55 and name HG+ ) 4.31 4.31 0.00 peak 3185 assign ( resid 95 and name HA ) ( resid 96 and name HG2+ ) 5.11 5.11 0.00 peak 3188 assign ( resid 72 and name HA ) ( resid 72 and name HE+ ) 4.89 4.89 0.00 peak 3193 assign ( resid 14 and name HE+ ) ( resid 65 and name HB+ ) 4.93 4.93 0.00 peak 3198 assign ( resid 32 and name HA ) ( resid 35 and name HG2+ ) 4.27 4.27 0.00 peak 3199 assign ( resid 52 and name HB ) ( resid 60 and name HN ) 4.52 4.52 0.00 peak 3209 assign ( resid 90 and name HA ) ( resid 91 and name HG2+ ) 4.48 4.48 0.00 peak 3222 assign ( resid 65 and name HB+ ) ( resid 66 and name HD2+ ) 4.26 4.26 0.00 peak 3235 assign ( resid 22 and name HB1 ) ( resid 22 and name HE+ ) 4.20 4.20 0.00 peak 3242 assign ( resid 42 and name HN ) ( resid 42 and name HB1 ) 4.03 4.03 0.00 peak 3246 assign ( resid 18 and name HA2 ) ( resid 29 and name HB2 ) 4.19 4.19 0.00 peak 3251 assign ( resid 18 and name HA1 ) ( resid 29 and name HB1 ) 4.18 4.18 0.00 peak 3254 assign ( resid 28 and name HA ) ( resid 29 and name HB1 ) 4.96 4.96 0.00 peak 3255 assign ( resid 77 and name HA ) ( resid 78 and name HB1 ) 4.70 4.70 0.00 peak 3257 assign ( resid 80 and name HA ) ( resid 97 and name HA ) 4.16 4.16 0.00 peak 3266 assign ( resid 81 and name HA ) ( resid 81 and name HD+ ) 4.42 4.42 0.00 peak 3268 assign ( resid 72 and name HD+ ) ( resid 73 and name HN ) 4.67 4.67 0.00 peak 3276 assign ( resid 82 and name HA ) ( resid 83 and name HG2+ ) 4.14 4.14 0.00 peak 3279 assign ( resid 52 and name HG2+ ) ( resid 53 and name HA ) 4.14 4.14 0.00 peak 3280 assign ( resid 66 and name HA ) ( resid 69 and name HB1 ) 4.13 4.13 0.00 peak 3283 assign ( resid 101 and name HG2+ ) ( resid 102 and name HN ) 4.12 4.12 0.00 peak 3299 assign ( resid 80 and name HB1 ) ( resid 81 and name HA ) 4.36 4.36 0.00 peak 3303 assign ( resid 80 and name HN ) ( resid 81 and name HN ) 4.57 4.57 0.00 peak 3336 assign ( resid 18 and name HA1 ) ( resid 29 and name HB2 ) 4.32 4.32 0.00 peak 3337 assign ( resid 53 and name HB2 ) ( resid 56 and name HN ) 4.31 4.31 0.00 peak 3339 assign ( resid 92 and name HD1+ ) ( resid 94 and name HA ) 4.08 4.08 0.00 peak 3344 assign ( resid 83 and name HG2+ ) ( resid 84 and name HA ) 4.28 4.28 0.00 peak 3355 assign ( resid 56 and name HN ) ( resid 57 and name HA ) 4.95 4.95 0.00 peak 3358 assign ( resid 65 and name HA ) ( resid 68 and name HG2 ) 5.02 5.02 0.00 peak 3360 assign ( resid 94 and name HB+ ) ( resid 96 and name HG2+ ) 4.51 4.51 0.00 peak 3361 assign ( resid 75 and name HB2 ) ( resid 76 and name HA2 ) 4.25 4.25 0.00 peak 3371 assign ( resid 96 and name HB ) ( resid 97 and name HG11 ) 4.99 4.99 0.00 peak 3375 assign ( resid 54 and name HB ) ( resid 96 and name HA ) 4.41 4.41 0.00 peak 3376 assign ( resid 78 and name HG+ ) ( resid 79 and name HA ) 4.63 4.63 0.00 peak 3376 assign ( resid 95 and name HG1 ) ( resid 96 and name HN ) 4.00 4.00 0.00 peak 3382 assign ( resid 39 and name HB2 ) ( resid 40 and name HN ) 4.23 4.23 0.00 peak 3385 assign ( resid 59 and name HN ) ( resid 59 and name HD1+ ) 3.98 3.98 0.00 peak 3390 assign ( resid 86 and name HN ) ( resid 86 and name HD+ ) 4.46 4.46 0.00 peak 3400 assign ( resid 41 and name HA ) ( resid 41 and name HG+ ) 3.96 3.96 0.00 peak 3403 assign ( resid 72 and name HN ) ( resid 72 and name HD+ ) 3.96 3.96 0.00 peak 3404 assign ( resid 90 and name HN ) ( resid 91 and name HN ) 4.46 4.46 0.00 peak 3405 assign ( resid 80 and name HA ) ( resid 97 and name HG12 ) 3.94 3.94 0.00 peak 3422 assign ( resid 71 and name HA ) ( resid 75 and name HA ) 3.94 3.94 0.00 peak 3423 assign ( resid 36 and name HA ) ( resid 39 and name HB1 ) 4.54 4.54 0.00 peak 3434 assign ( resid 18 and name HA2 ) ( resid 29 and name HG+ ) 4.26 4.26 0.00 peak 3439 assign ( resid 27 and name HA ) ( resid 27 and name HG2 ) 3.92 3.92 0.00 peak 3441 assign ( resid 81 and name HB2 ) ( resid 81 and name HE+ ) 3.92 3.92 0.00 peak 3444 assign ( resid 20 and name HA ) ( resid 27 and name HB2 ) 3.92 3.92 0.00 peak 3447 assign ( resid 84 and name HA ) ( resid 85 and name HG1+ ) 4.65 4.65 0.00 peak 3448 assign ( resid 35 and name HA ) ( resid 38 and name HB ) 3.89 3.89 0.00 peak 3474 assign ( resid 78 and name HN ) ( resid 78 and name HB2 ) 3.87 3.87 0.00 peak 3486 assign ( resid 92 and name HD1+ ) ( resid 94 and name HB+ ) 4.11 4.11 0.00 peak 3492 assign ( resid 72 and name HB1 ) ( resid 72 and name HE+ ) 3.87 3.87 0.00 peak 3493 assign ( resid 89 and name HN ) ( resid 89 and name HD21 ) 3.86 3.86 0.00 peak 3499 assign ( resid 94 and name HA ) ( resid 94 and name HG2 ) 3.85 3.85 0.00 peak 3501 assign ( resid 65 and name HA ) ( resid 68 and name HG1 ) 3.85 3.85 0.00 peak 3503 assign ( resid 20 and name HA ) ( resid 27 and name HG1 ) 3.84 3.84 0.00 peak 3515 assign ( resid 95 and name HA ) ( resid 95 and name HG1 ) 3.84 3.84 0.00 peak 3519 assign ( resid 77 and name HN ) ( resid 100 and name HD2+ ) 4.17 4.17 0.00 peak 3522 assign ( resid 97 and name HA ) ( resid 97 and name HG12 ) 3.83 3.83 0.00 peak 3524 assign ( resid 86 and name HB2 ) ( resid 86 and name HE+ ) 3.83 3.83 0.00 peak 3529 assign ( resid 36 and name HA ) ( resid 39 and name HB2 ) 4.54 4.54 0.00 peak 3538 assign ( resid 38 and name HA ) ( resid 38 and name HG2+ ) 3.82 3.82 0.00 peak 3543 assign ( resid 90 and name HB1 ) ( resid 91 and name HN ) 3.81 3.81 0.00 peak 3548 assign ( resid 75 and name HB1 ) ( resid 76 and name HN ) 3.81 3.81 0.00 peak 3554 assign ( resid 33 and name HB1 ) ( resid 34 and name HN ) 4.04 4.04 0.00 peak 3559 assign ( resid 19 and name HN ) ( resid 27 and name HG1 ) 4.05 4.05 0.00 peak 3562 assign ( resid 80 and name HE+ ) ( resid 97 and name HD1+ ) 3.79 3.79 0.00 peak 3568 assign ( resid 98 and name HD21 ) ( resid 99 and name HB1 ) 4.39 4.39 0.00 peak 3572 assign ( resid 59 and name HN ) ( resid 59 and name HD2+ ) 4.25 4.25 0.00 peak 3574 assign ( resid 87 and name HB2 ) ( resid 87 and name HD2 ) 3.77 3.77 0.00 peak 3579 assign ( resid 55 and name HG+ ) ( resid 56 and name HN ) 3.77 3.77 0.00 peak 3582 assign ( resid 55 and name HB1 ) ( resid 101 and name HA ) 4.45 4.45 0.00 peak 3584 assign ( resid 60 and name HA ) ( resid 60 and name HG2+ ) 3.77 3.77 0.00 peak 3588 assign ( resid 59 and name HA ) ( resid 60 and name HG2+ ) 3.75 3.75 0.00 peak 3594 assign ( resid 14 and name HA ) ( resid 14 and name HE+ ) 4.46 4.46 0.00 peak 3595 assign ( resid 97 and name HG2+ ) ( resid 100 and name HA ) 4.22 4.22 0.00 peak 3599 assign ( resid 23 and name HE+ ) ( resid 45 and name HG2+ ) 3.98 3.98 0.00 peak 3603 assign ( resid 81 and name HN ) ( resid 81 and name HB2 ) 3.76 3.76 0.00 peak 3606 assign ( resid 96 and name HA ) ( resid 97 and name HD1+ ) 4.44 4.44 0.00 peak 3614 assign ( resid 84 and name HA ) ( resid 85 and name HG2+ ) 3.73 3.73 0.00 peak 3618 assign ( resid 33 and name HA ) ( resid 36 and name HB2 ) 3.73 3.73 0.00 peak 3619 assign ( resid 96 and name HN ) ( resid 96 and name HG2+ ) 3.72 3.72 0.00 peak 3635 assign ( resid 27 and name HA ) ( resid 27 and name HG1 ) 3.71 3.71 0.00 peak 3636 assign ( resid 28 and name HA ) ( resid 28 and name HG2+ ) 3.70 3.70 0.00 peak 3645 assign ( resid 85 and name HG2+ ) ( resid 86 and name HA ) 4.63 4.63 0.00 peak 3647 assign ( resid 71 and name HB2 ) ( resid 72 and name HN ) 4.24 4.24 0.00 peak 3652 assign ( resid 52 and name HG2+ ) ( resid 94 and name HB+ ) 4.37 4.37 0.00 peak 3665 assign ( resid 72 and name HA ) ( resid 72 and name HD+ ) 4.36 4.36 0.00 peak 3672 assign ( resid 27 and name HB1 ) ( resid 28 and name HN ) 4.13 4.13 0.00 peak 3673 assign ( resid 86 and name HN ) ( resid 86 and name HG+ ) 4.34 4.34 0.00 peak 3682 assign ( resid 31 and name HA ) ( resid 31 and name HD2+ ) 3.64 3.64 0.00 peak 3698 assign ( resid 54 and name HG1+ ) ( resid 55 and name HN ) 4.31 4.31 0.00 peak 3703 assign ( resid 30 and name HN ) ( resid 30 and name HB1 ) 3.62 3.62 0.00 peak 3711 assign ( resid 86 and name HB1 ) ( resid 87 and name HN ) 4.30 4.30 0.00 peak 3712 assign ( resid 52 and name HG1+ ) ( resid 94 and name HG2 ) 3.62 3.62 0.00 peak 3713 assign ( resid 85 and name HN ) ( resid 85 and name HG1+ ) 3.62 3.62 0.00 peak 3715 assign ( resid 58 and name HB+ ) ( resid 59 and name HN ) 3.62 3.62 0.00 peak 3717 assign ( resid 100 and name HA ) ( resid 100 and name HG ) 3.61 3.61 0.00 peak 3720 assign ( resid 98 and name HN ) ( resid 98 and name HB2 ) 3.61 3.61 0.00 peak 3724 assign ( resid 68 and name HA ) ( resid 71 and name HG ) 4.06 4.06 0.00 peak 3727 assign ( resid 42 and name HA ) ( resid 43 and name HD1 ) 3.89 3.89 0.00 peak 3733 assign ( resid 55 and name HB1 ) ( resid 56 and name HN ) 3.82 3.82 0.00 peak 3738 assign ( resid 50 and name HA ) ( resid 51 and name HB+ ) 4.26 4.26 0.00 peak 3739 assign ( resid 31 and name HB2 ) ( resid 31 and name HD1+ ) 3.59 3.59 0.00 peak 3743 assign ( resid 33 and name HA ) ( resid 36 and name HB1 ) 3.58 3.58 0.00 peak 3750 assign ( resid 96 and name HA ) ( resid 97 and name HG11 ) 3.58 3.58 0.00 peak 3754 assign ( resid 30 and name HB1 ) ( resid 32 and name HN ) 3.80 3.80 0.00 peak 3757 assign ( resid 35 and name HA ) ( resid 38 and name HG1+ ) 3.79 3.79 0.00 peak 3760 assign ( resid 59 and name HA ) ( resid 59 and name HG ) 3.56 3.56 0.00 peak 3762 assign ( resid 87 and name HB2 ) ( resid 87 and name HD1 ) 3.77 3.77 0.00 peak 3765 assign ( resid 14 and name HA ) ( resid 14 and name HG+ ) 3.56 3.56 0.00 peak 3770 assign ( resid 71 and name HA ) ( resid 72 and name HN ) 3.56 3.56 0.00 peak 3771 assign ( resid 81 and name HB1 ) ( resid 81 and name HE+ ) 4.21 4.21 0.00 peak 3780 assign ( resid 85 and name HB ) ( resid 86 and name HN ) 3.99 3.99 0.00 peak 3781 assign ( resid 97 and name HA ) ( resid 97 and name HD1+ ) 4.20 4.20 0.00 peak 3792 assign ( resid 16 and name HA ) ( resid 16 and name HG+ ) 3.52 3.52 0.00 peak 3805 assign ( resid 56 and name HB2 ) ( resid 57 and name HN ) 4.03 4.03 0.00 peak 3810 assign ( resid 65 and name HA ) ( resid 68 and name HN ) 4.17 4.17 0.00 peak 3812 assign ( resid 52 and name HA ) ( resid 52 and name HG1+ ) 3.92 3.92 0.00 peak 3814 assign ( resid 79 and name HB1 ) ( resid 79 and name HD21 ) 3.51 3.51 0.00 peak 3815 assign ( resid 18 and name HA2 ) ( resid 29 and name HA ) 3.50 3.50 0.00 peak 3826 assign ( resid 98 and name HB2 ) ( resid 98 and name HD22 ) 3.72 3.72 0.00 peak 3829 assign ( resid 54 and name HG1+ ) ( resid 94 and name HB+ ) 3.49 3.49 0.00 peak 3830 assign ( resid 59 and name HN ) ( resid 59 and name HB1 ) 3.50 3.50 0.00 peak 3833 assign ( resid 59 and name HA ) ( resid 59 and name HD1+ ) 3.93 3.93 0.00 peak 3835 assign ( resid 100 and name HA ) ( resid 100 and name HD1+ ) 4.14 4.14 0.00 peak 3842 assign ( resid 98 and name HB2 ) ( resid 98 and name HD21 ) 3.49 3.49 0.00 peak 3845 assign ( resid 22 and name HN ) ( resid 59 and name HD1+ ) 4.35 4.35 0.00 peak 3848 assign ( resid 52 and name HG2+ ) ( resid 86 and name HD+ ) 4.05 4.05 0.00 peak 3852 assign ( resid 68 and name HA ) ( resid 68 and name HG1 ) 3.91 3.91 0.00 peak 3855 assign ( resid 54 and name HA ) ( resid 96 and name HG2+ ) 4.34 4.34 0.00 peak 3856 assign ( resid 28 and name HA ) ( resid 29 and name HG+ ) 3.90 3.90 0.00 peak 3862 assign ( resid 52 and name HN ) ( resid 52 and name HG2+ ) 4.12 4.12 0.00 peak 3864 assign ( resid 74 and name HA ) ( resid 75 and name HD2 ) 3.46 3.46 0.00 peak 3867 assign ( resid 27 and name HB2 ) ( resid 28 and name HN ) 4.49 4.49 0.00 peak 3870 assign ( resid 81 and name HA ) ( resid 81 and name HG2 ) 3.88 3.88 0.00 peak 3875 assign ( resid 60 and name HN ) ( resid 66 and name HD1+ ) 4.06 4.06 0.00 peak 3876 assign ( resid 97 and name HG2+ ) ( resid 99 and name HN ) 3.48 3.48 0.00 peak 3877 assign ( resid 68 and name HA ) ( resid 71 and name HB1 ) 3.45 3.45 0.00 peak 3880 assign ( resid 57 and name HB1 ) ( resid 57 and name HD22 ) 3.66 3.66 0.00 peak 3888 assign ( resid 52 and name HG1+ ) ( resid 54 and name HA ) 3.65 3.65 0.00 peak 3896 assign ( resid 72 and name HN ) ( resid 74 and name HN ) 3.85 3.85 0.00 peak 3903 assign ( resid 33 and name HA ) ( resid 33 and name HG1 ) 4.07 4.07 0.00 peak 3905 assign ( resid 100 and name HA ) ( resid 100 and name HD2+ ) 3.96 3.96 0.00 peak 3908 assign ( resid 57 and name HN ) ( resid 57 and name HB1 ) 4.05 4.05 0.00 peak 3916 assign ( resid 23 and name HE+ ) ( resid 45 and name HG1+ ) 3.98 3.98 0.00 peak 3918 assign ( resid 72 and name HA ) ( resid 72 and name HG2 ) 3.39 3.39 0.00 peak 3930 assign ( resid 81 and name HA ) ( resid 81 and name HG1 ) 3.60 3.60 0.00 peak 3931 assign ( resid 65 and name HA ) ( resid 68 and name HB2 ) 4.01 4.01 0.00 peak 3940 assign ( resid 72 and name HA ) ( resid 72 and name HG1 ) 4.01 4.01 0.00 peak 3943 assign ( resid 97 and name HA ) ( resid 97 and name HG11 ) 3.37 3.37 0.00 peak 3946 assign ( resid 45 and name HA ) ( resid 45 and name HG1+ ) 3.37 3.37 0.00 peak 3947 assign ( resid 72 and name HN ) ( resid 72 and name HB1 ) 3.58 3.58 0.00 peak 3949 assign ( resid 68 and name HA ) ( resid 71 and name HB2 ) 3.36 3.36 0.00 peak 3955 assign ( resid 31 and name HA ) ( resid 31 and name HD1+ ) 3.36 3.36 0.00 peak 3957 assign ( resid 68 and name HA ) ( resid 68 and name HG2 ) 3.35 3.35 0.00 peak 3967 assign ( resid 50 and name HB1 ) ( resid 59 and name HD2+ ) 3.35 3.35 0.00 peak 3968 assign ( resid 97 and name HN ) ( resid 97 and name HG2+ ) 3.97 3.97 0.00 peak 3970 assign ( resid 50 and name HN ) ( resid 50 and name HB2 ) 3.67 3.67 0.00 peak 3976 assign ( resid 67 and name HN ) ( resid 67 and name HB1 ) 3.90 3.90 0.00 peak 3976 assign ( resid 72 and name HN ) ( resid 72 and name HB2 ) 3.53 3.53 0.00 peak 3982 assign ( resid 52 and name HG2+ ) ( resid 53 and name HN ) 3.31 3.31 0.00 peak 3998 assign ( resid 38 and name HN ) ( resid 38 and name HG1+ ) 3.72 3.72 0.00 peak 4007 assign ( resid 100 and name HN ) ( resid 100 and name HB1 ) 3.71 3.71 0.00 peak 4010 assign ( resid 53 and name HB1 ) ( resid 58 and name HD+ ) 3.38 3.38 0.00 peak 4020 assign ( resid 83 and name HN ) ( resid 83 and name HG2+ ) 3.26 3.26 0.00 peak 4028 assign ( resid 71 and name HN ) ( resid 71 and name HG ) 4.06 4.06 0.00 peak 4036 assign ( resid 85 and name HG1+ ) ( resid 86 and name HN ) 4.05 4.05 0.00 peak 4040 assign ( resid 100 and name HB2 ) ( resid 100 and name HD1+ ) 3.29 3.29 0.00 peak 4043 assign ( resid 68 and name HN ) ( resid 68 and name HB1 ) 3.64 3.64 0.00 peak 4046 assign ( resid 52 and name HG1+ ) ( resid 59 and name HG ) 3.43 3.43 0.00 peak 4047 assign ( resid 31 and name HB1 ) ( resid 31 and name HD2+ ) 3.22 3.22 0.00 peak 4051 assign ( resid 90 and name HN ) ( resid 90 and name HG+ ) 3.22 3.22 0.00 peak 4055 assign ( resid 59 and name HA ) ( resid 59 and name HD2+ ) 3.21 3.21 0.00 peak 4060 assign ( resid 31 and name HB2 ) ( resid 31 and name HD2+ ) 3.20 3.20 0.00 peak 4063 assign ( resid 78 and name HA ) ( resid 78 and name HG+ ) 3.20 3.20 0.00 peak 4069 assign ( resid 80 and name HA ) ( resid 97 and name HG2+ ) 3.18 3.18 0.00 peak 4078 assign ( resid 45 and name HA ) ( resid 45 and name HG2+ ) 3.37 3.37 0.00 peak 4081 assign ( resid 71 and name HA ) ( resid 71 and name HG ) 3.57 3.57 0.00 peak 4082 assign ( resid 52 and name HA ) ( resid 52 and name HG2+ ) 3.15 3.15 0.00 peak 4094 assign ( resid 90 and name HA ) ( resid 90 and name HG+ ) 3.54 3.54 0.00 peak 4095 assign ( resid 81 and name HG1 ) ( resid 81 and name HE+ ) 3.14 3.14 0.00 peak 4098 assign ( resid 81 and name HD+ ) ( resid 96 and name HB ) 3.17 3.17 0.00 peak 4109 assign ( resid 31 and name HB1 ) ( resid 31 and name HD1+ ) 3.35 3.35 0.00 peak 4118 assign ( resid 86 and name HG+ ) ( resid 86 and name HE+ ) 3.09 3.09 0.00 peak 4125 assign ( resid 52 and name HA ) ( resid 66 and name HD1+ ) 4.39 4.39 0.00 peak 4146 assign ( resid 97 and name HG2+ ) ( resid 97 and name HG12 ) 3.05 3.05 0.00 peak 4147 assign ( resid 83 and name HA ) ( resid 83 and name HG2+ ) 3.24 3.24 0.00 peak 4149 assign ( resid 22 and name HB1 ) ( resid 59 and name HB1 ) 3.05 3.05 0.00 peak 4152 assign ( resid 15 and name HA ) ( resid 15 and name HG2+ ) 3.03 3.03 0.00 peak 4160 assign ( resid 59 and name HB1 ) ( resid 59 and name HD1+ ) 3.03 3.03 0.00 peak 4162 assign ( resid 52 and name HG1+ ) ( resid 54 and name HG1+ ) 3.58 3.58 0.00 peak 4165 assign ( resid 97 and name HA ) ( resid 97 and name HG2+ ) 3.02 3.02 0.00 peak 4166 assign ( resid 59 and name HB2 ) ( resid 59 and name HD2+ ) 3.21 3.21 0.00 peak 4169 assign ( resid 55 and name HA ) ( resid 55 and name HB1 ) 3.01 3.01 0.00 peak 4173 assign ( resid 38 and name HA ) ( resid 38 and name HG1+ ) 3.00 3.00 0.00 peak 4175 assign ( resid 15 and name HA ) ( resid 15 and name HG1+ ) 3.18 3.18 0.00 peak 4178 assign ( resid 100 and name HB1 ) ( resid 100 and name HD1+ ) 2.98 2.98 0.00 peak 4180 assign ( resid 54 and name HB ) ( resid 96 and name HG2+ ) 2.98 2.98 0.00 peak 4182 assign ( resid 85 and name HA ) ( resid 85 and name HG2+ ) 3.16 3.16 0.00 peak 4183 assign ( resid 87 and name HB2 ) ( resid 87 and name HG+ ) 2.97 2.97 0.00 peak 4185 assign ( resid 59 and name HB2 ) ( resid 59 and name HD1+ ) 2.96 2.96 0.00 peak 4188 assign ( resid 97 and name HB ) ( resid 97 and name HD1+ ) 3.32 3.32 0.00 peak 4190 assign ( resid 97 and name HD1+ ) ( resid 100 and name HB2 ) 3.45 3.45 0.00 peak 4190 assign ( resid 101 and name HA ) ( resid 101 and name HG2+ ) 2.95 2.95 0.00 peak 4194 assign ( resid 100 and name HB1 ) ( resid 100 and name HD2+ ) 2.94 2.94 0.00 peak 4201 assign ( resid 55 and name HA ) ( resid 55 and name HG+ ) 3.12 3.12 0.00 peak 4202 assign ( resid 85 and name HA ) ( resid 85 and name HG1+ ) 2.93 2.93 0.00 peak 4206 assign ( resid 86 and name HD+ ) ( resid 86 and name HE+ ) 2.93 2.93 0.00 peak 4209 assign ( resid 59 and name HB1 ) ( resid 59 and name HD2+ ) 2.92 2.92 0.00 peak 4210 assign ( resid 54 and name HA ) ( resid 54 and name HG2+ ) 3.03 3.03 0.00 peak 4224 assign ( resid 81 and name HD+ ) ( resid 81 and name HE+ ) 2.85 2.85 0.00 peak 4225 assign ( resid 55 and name HB2 ) ( resid 55 and name HG+ ) 2.83 2.83 0.00 peak 4230 assign ( resid 55 and name HB1 ) ( resid 55 and name HG+ ) 2.82 2.82 0.00 peak 4233 assign ( resid 52 and name HG2+ ) ( resid 92 and name HD1+ ) 3.14 3.14 0.00 peak 4242 assign ( resid 96 and name HA ) ( resid 96 and name HG2+ ) 2.85 2.85 0.00 peak 4243 assign ( resid 54 and name HA ) ( resid 54 and name HG1+ ) 2.77 2.77 0.00 peak 4251 assign ( resid 100 and name HB2 ) ( resid 100 and name HD2+ ) 3.06 3.06 0.00 peak 4263 assign ( resid 83 and name HG2+ ) ( resid 85 and name HG2+ ) 2.84 2.84 0.00 peak 4277 assign ( resid 59 and name HD2+ ) ( resid 92 and name HG12 ) 3.08 3.08 0.00 peak 4277 assign ( resid 71 and name HB1 ) ( resid 71 and name HG ) 2.63 2.63 0.00 peak 4289 assign ( resid 86 and name HB1 ) ( resid 86 and name HG+ ) 2.62 2.62 0.00 peak 4291 assign ( resid 54 and name HG2+ ) ( resid 96 and name HG2+ ) 2.62 2.62 0.00 peak 4292 assign ( resid 54 and name HG1+ ) ( resid 96 and name HG2+ ) 2.93 2.93 0.00 peak 4296 assign ( resid 97 and name HG2+ ) ( resid 97 and name HD1+ ) 2.63 2.63 0.00 peak 4312 assign ( resid 52 and name HG1+ ) ( resid 92 and name HD1+ ) 2.40 2.40 0.00 peak 4329 assign ( resid 86 and name HA ) ( resid 86 and name HE+ ) 4.61 4.61 0.00 peak 4335 assign ( resid 86 and name HB1 ) ( resid 86 and name HE+ ) 4.25 4.25 0.00 peak 4336 assign ( resid 83 and name HG2+ ) ( resid 95 and name HG1 ) 5.30 5.30 0.00 peak 4373 assign ( resid 83 and name HG2+ ) ( resid 94 and name HG1 ) 4.52 4.52 0.00 peak 4374 assign ( resid 68 and name HB1 ) ( resid 69 and name HA ) 5.42 5.42 0.00 peak 4379 assign ( resid 27 and name HB1 ) ( resid 27 and name HE22 ) 4.85 4.85 0.00 peak 4386 assign ( resid 28 and name HG2+ ) ( resid 31 and name HA ) 4.20 4.20 0.00 peak 4391 assign ( resid 28 and name HG2+ ) ( resid 30 and name HB2 ) 3.77 3.77 0.00 peak 4392 assign ( resid 50 and name HB2 ) ( resid 59 and name HD2+ ) 3.35 3.35 0.00 peak 4396 assign ( resid 53 and name HB2 ) ( resid 58 and name HB+ ) 5.27 5.27 0.00 peak 4399 assign ( resid 53 and name HB2 ) ( resid 55 and name HB2 ) 5.05 5.05 0.00 peak 4401 assign ( resid 53 and name HB2 ) ( resid 95 and name HB+ ) 4.27 4.27 0.00 peak 4403 assign ( resid 53 and name HB2 ) ( resid 58 and name HN ) 4.54 4.54 0.00 peak 4405 assign ( resid 45 and name HG1+ ) ( resid 46 and name HA ) 5.13 5.13 0.00 peak 4412 assign ( resid 42 and name HB2 ) ( resid 45 and name HG2+ ) 4.43 4.43 0.00 peak 4416 assign ( resid 42 and name HB1 ) ( resid 45 and name HG1+ ) 4.16 4.16 0.00 peak 4427 assign ( resid 58 and name HN ) ( resid 59 and name HG ) 5.48 5.48 0.00 peak 4435 assign ( resid 57 and name HB1 ) ( resid 58 and name HN ) 4.53 4.53 0.00 peak 4450 assign ( resid 81 and name HN ) ( resid 98 and name HN ) 5.34 5.34 0.00 peak 4451 assign ( resid 55 and name HG+ ) ( resid 97 and name HG11 ) 4.31 4.31 0.00 peak 4463 assign ( resid 55 and name HG+ ) ( resid 97 and name HG2+ ) 4.61 4.61 0.00 peak 4472 assign ( resid 51 and name HD+ ) ( resid 95 and name HN ) 5.50 5.50 0.00 peak 4476 assign ( resid 81 and name HB2 ) ( resid 96 and name HN ) 4.94 4.94 0.00 peak 4484 assign ( resid 96 and name HB ) ( resid 101 and name HG2+ ) 4.43 4.43 0.00 peak 4485 assign ( resid 59 and name HA ) ( resid 66 and name HD2+ ) 5.02 5.02 0.00 peak 4489 assign ( resid 52 and name HG1+ ) ( resid 95 and name HA ) 5.50 5.50 0.00 peak 4503 assign ( resid 85 and name HG2+ ) ( resid 94 and name HN ) 4.28 4.28 0.00 peak 4515 assign ( resid 23 and name HE+ ) ( resid 45 and name HB ) 4.86 4.86 0.00 peak 4519 assign ( resid 82 and name HA ) ( resid 95 and name HG1 ) 4.52 4.52 0.00 peak 4523 assign ( resid 51 and name HA ) ( resid 93 and name HD+ ) 4.51 4.51 0.00 peak 4543 assign ( resid 60 and name HG2+ ) ( resid 66 and name HG ) 4.45 4.45 0.00 peak 4561 assign ( resid 83 and name HN ) ( resid 95 and name HN ) 5.03 5.03 0.00 peak 4564 assign ( resid 31 and name HD2+ ) ( resid 35 and name HN ) 4.68 4.68 0.00 peak 4579 assign ( resid 45 and name HG2+ ) ( resid 46 and name HN ) 4.53 4.53 0.00 peak 4584 assign ( resid 50 and name HN ) ( resid 59 and name HD2+ ) 4.58 4.58 0.00 peak 4587 assign ( resid 72 and name HG1 ) ( resid 73 and name HA ) 4.84 4.84 0.00 peak 4589 assign ( resid 21 and name HB1 ) ( resid 22 and name HN ) 4.24 4.24 0.00 peak 4608 assign ( resid 19 and name HD+ ) ( resid 31 and name HA ) 4.41 4.41 0.00 peak 4613 assign ( resid 59 and name HB1 ) ( resid 86 and name HE+ ) 5.50 5.50 0.00 peak 4620 assign ( resid 22 and name HG+ ) ( resid 23 and name HB+ ) 5.31 5.31 0.00 peak 4626 assign ( resid 34 and name HD+ ) ( resid 35 and name HA ) 4.19 4.19 0.00 peak 4627 assign ( resid 67 and name HA ) ( resid 80 and name HD+ ) 4.52 4.52 0.00 peak 4633 assign ( resid 80 and name HD+ ) ( resid 81 and name HG2 ) 4.27 4.27 0.00 peak 4634 assign ( resid 80 and name HD+ ) ( resid 95 and name HN ) 5.39 5.39 0.00 peak 4636 assign ( resid 80 and name HD+ ) ( resid 96 and name HG2+ ) 4.99 4.99 0.00 peak 4642 assign ( resid 19 and name HB2 ) ( resid 34 and name HA ) 5.05 5.05 0.00 peak 4650 assign ( resid 19 and name HA ) ( resid 21 and name HN ) 5.50 5.50 0.00 peak 4657 assign ( resid 28 and name HB ) ( resid 34 and name HN ) 5.41 5.41 0.00 peak 4658 assign ( resid 34 and name HD+ ) ( resid 35 and name HB ) 4.56 4.56 0.00 peak 4659 assign ( resid 22 and name HB2 ) ( resid 23 and name HD+ ) 4.94 4.94 0.00 peak 4660 assign ( resid 55 and name HA ) ( resid 97 and name HD1+ ) 5.42 5.42 0.00 peak 4663 assign ( resid 53 and name HN ) ( resid 94 and name HA ) 5.36 5.36 0.00 peak 4667 assign ( resid 83 and name HN ) ( resid 94 and name HA ) 4.84 4.84 0.00 peak 4672 assign ( resid 80 and name HB1 ) ( resid 95 and name HG2 ) 4.11 4.11 0.00 peak 4681 assign ( resid 77 and name HB+ ) ( resid 79 and name HB2 ) 4.43 4.43 0.00 peak 4682 assign ( resid 68 and name HB1 ) ( resid 72 and name HB1 ) 5.50 5.50 0.00 peak 4688 assign ( resid 86 and name HG+ ) ( resid 90 and name HB2 ) 5.50 5.50 0.00 peak 4688 assign ( resid 54 and name HG1+ ) ( resid 94 and name HA ) 4.50 4.50 0.00 peak 4690 assign ( resid 28 and name HB ) ( resid 30 and name HB2 ) 5.47 5.47 0.00 peak 4703 assign ( resid 28 and name HB ) ( resid 34 and name HB+ ) 5.50 5.50 0.00 peak 4703 assign ( resid 21 and name HB2 ) ( resid 34 and name HD+ ) 5.50 5.50 0.00 peak 4707 assign ( resid 73 and name HB2 ) ( resid 75 and name HD1 ) 5.05 5.05 0.00 peak 4708 assign ( resid 52 and name HG2+ ) ( resid 58 and name HA ) 4.30 4.30 0.00 peak 4716 assign ( resid 85 and name HB ) ( resid 86 and name HD+ ) 5.50 5.50 0.00 peak 4724 assign ( resid 86 and name HB1 ) ( resid 94 and name HG1 ) 5.50 5.50 0.00 peak 4727 assign ( resid 19 and name HB2 ) ( resid 31 and name HA ) 5.31 5.31 0.00 peak 4741 assign ( resid 67 and name HN ) ( resid 68 and name HB2 ) 5.50 5.50 0.00 peak 4742 assign ( resid 54 and name HA ) ( resid 55 and name HA ) 5.00 5.00 0.00 peak 4747 assign ( resid 77 and name HA ) ( resid 79 and name HN ) 5.50 5.50 0.00 peak 4755 assign ( resid 70 and name HN ) ( resid 71 and name HA ) 5.32 5.32 0.00 peak 4756 assign ( resid 40 and name HA ) ( resid 43 and name HD1 ) 4.26 4.26 0.00 peak 4757 assign ( resid 71 and name HA ) ( resid 73 and name HN ) 5.25 5.25 0.00 peak 4763 assign ( resid 18 and name HA1 ) ( resid 28 and name HG2+ ) 5.16 5.16 0.00 peak 4768 assign ( resid 18 and name HA1 ) ( resid 19 and name HE+ ) 5.50 5.50 0.00 peak 4770 assign ( resid 53 and name HA ) ( resid 95 and name HA ) 5.08 5.08 0.00 peak 4774 assign ( resid 80 and name HB1 ) ( resid 95 and name HA ) 4.96 4.96 0.00 peak 4775 assign ( resid 53 and name HN ) ( resid 56 and name HN ) 4.78 4.78 0.00 peak 4778 assign ( resid 78 and name HB1 ) ( resid 79 and name HD21 ) 4.78 4.78 0.00 peak 4782 assign ( resid 70 and name HA ) ( resid 77 and name HN ) 5.50 5.50 0.00 peak 4786 assign ( resid 89 and name HA ) ( resid 89 and name HD21 ) 4.64 4.64 0.00 peak 4792 assign ( resid 15 and name HG1+ ) ( resid 58 and name HZ ) 4.01 4.01 0.00 peak 4801 assign ( resid 70 and name HN ) ( resid 95 and name HE21 ) 5.37 5.37 0.00 peak 4804 assign ( resid 67 and name HA ) ( resid 80 and name HE+ ) 4.83 4.83 0.00 peak 4814 assign ( resid 56 and name HN ) ( resid 97 and name HD1+ ) 5.50 5.50 0.00 peak 4821 assign ( resid 99 and name HB1 ) ( resid 100 and name HB2 ) 4.64 4.64 0.00 peak 4822 assign ( resid 97 and name HB ) ( resid 99 and name HB2 ) 5.50 5.50 0.00 peak 4824 assign ( resid 92 and name HB ) ( resid 94 and name HG2 ) 5.08 5.08 0.00 peak 4825 assign ( resid 42 and name HB2 ) ( resid 43 and name HA ) 5.46 5.46 0.00 peak 4826 assign ( resid 97 and name HA ) ( resid 98 and name HB1 ) 5.50 5.50 0.00 peak 4826 assign ( resid 56 and name HB1 ) ( resid 58 and name HE+ ) 5.50 5.50 0.00 peak 4830 assign ( resid 67 and name HN ) ( resid 69 and name HB1 ) 5.48 5.48 0.00 peak 4832 assign ( resid 32 and name HA ) ( resid 35 and name HB ) 5.41 5.41 0.00 peak 4837 assign ( resid 38 and name HB ) ( resid 41 and name HN ) 5.50 5.50 0.00 peak 4840 assign ( resid 41 and name HN ) ( resid 43 and name HB1 ) 5.50 5.50 0.00 peak 4840 assign ( resid 27 and name HE21 ) ( resid 29 and name HD1 ) 5.50 5.50 0.00 peak 4845 assign ( resid 80 and name HE+ ) ( resid 100 and name HB2 ) 5.34 5.34 0.00 peak 4851 assign ( resid 80 and name HE+ ) ( resid 97 and name HB ) 5.50 5.50 0.00 peak 4852 assign ( resid 97 and name HB ) ( resid 98 and name HD21 ) 5.50 5.50 0.00 peak 4852 assign ( resid 15 and name HB ) ( resid 60 and name HG2+ ) 5.11 5.11 0.00 peak 4855 assign ( resid 21 and name HN ) ( resid 27 and name HE21 ) 5.50 5.50 0.00 peak 4865 assign ( resid 21 and name HN ) ( resid 27 and name HG1 ) 5.24 5.24 0.00 peak 4866 assign ( resid 23 and name HN ) ( resid 24 and name HA ) 4.92 4.92 0.00 peak 4872 assign ( resid 23 and name HD+ ) ( resid 59 and name HB1 ) 4.96 4.96 0.00 peak 4878 assign ( resid 23 and name HD+ ) ( resid 45 and name HB ) 4.80 4.80 0.00 peak 4879 assign ( resid 23 and name HE+ ) ( resid 38 and name HA ) 4.45 4.45 0.00 peak 4880 assign ( resid 23 and name HE+ ) ( resid 42 and name HB1 ) 4.89 4.89 0.00 peak 4885 assign ( resid 19 and name HN ) ( resid 29 and name HD2 ) 5.12 5.12 0.00 peak 4893 assign ( resid 28 and name HN ) ( resid 29 and name HD2 ) 5.46 5.46 0.00 peak 4893 assign ( resid 31 and name HA ) ( resid 34 and name HB+ ) 3.83 3.83 0.00 peak 4895 assign ( resid 30 and name HB1 ) ( resid 34 and name HN ) 4.35 4.35 0.00 peak 4896 assign ( resid 52 and name HA ) ( resid 95 and name HN ) 4.90 4.90 0.00 peak 4923 assign ( resid 83 and name HG2+ ) ( resid 85 and name HN ) 4.14 4.14 0.00 peak 4928 assign ( resid 94 and name HB+ ) ( resid 96 and name HN ) 4.65 4.65 0.00 peak 4932 assign ( resid 54 and name HN ) ( resid 56 and name HN ) 4.48 4.48 0.00 peak 4953 assign ( resid 58 and name HE+ ) ( resid 60 and name HN ) 4.67 4.67 0.00 peak 4954 assign ( resid 83 and name HN ) ( resid 93 and name HD+ ) 5.09 5.09 0.00 peak 4957 assign ( resid 58 and name HD+ ) ( resid 60 and name HN ) 4.99 4.99 0.00 peak 4958 assign ( resid 55 and name HN ) ( resid 56 and name HA ) 5.50 5.50 0.00 peak 4964 assign ( resid 99 and name HN ) ( resid 100 and name HA ) 4.80 4.80 0.00 peak 4967 assign ( resid 73 and name HN ) ( resid 75 and name HD2 ) 5.50 5.50 0.00 peak 4970 assign ( resid 79 and name HB2 ) ( resid 98 and name HN ) 4.00 4.00 0.00 peak 4973 assign ( resid 19 and name HN ) ( resid 29 and name HD1 ) 4.36 4.36 0.00 peak 4984 assign ( resid 19 and name HN ) ( resid 27 and name HA ) 4.36 4.36 0.00 peak 4986 assign ( resid 19 and name HD+ ) ( resid 20 and name HN ) 4.64 4.64 0.00 peak 4989 assign ( resid 70 and name HD21 ) ( resid 80 and name HN ) 4.42 4.42 0.00 peak 4990 assign ( resid 68 and name HN ) ( resid 69 and name HB2 ) 4.48 4.48 0.00 peak 5063 assign ( resid 42 and name HN ) ( resid 43 and name HG1 ) 5.50 5.50 0.00 peak 5066 assign ( resid 70 and name HD22 ) ( resid 97 and name HG12 ) 5.49 5.49 0.00 peak 5067 assign ( resid 100 and name HB1 ) ( resid 102 and name HN ) 4.99 4.99 0.00 peak 5068 assign ( resid 66 and name HG ) ( resid 95 and name HE21 ) 4.69 4.69 0.00 peak 5076 assign ( resid 72 and name HD+ ) ( resid 73 and name HE+ ) 3.26 3.26 0.00 peak 5077 assign ( resid 72 and name HD+ ) ( resid 73 and name HD+ ) 4.00 4.00 0.00 peak 5078 assign ( resid 19 and name HE+ ) ( resid 31 and name HB2 ) 3.61 3.61 0.00 peak 5079 assign ( resid 50 and name HA ) ( resid 51 and name HD+ ) 3.71 3.71 0.00 peak 5083 assign ( resid 72 and name HN ) ( resid 73 and name HE+ ) 4.90 4.90 0.00 peak 5094 assign ( resid 19 and name HE+ ) ( resid 30 and name HN ) 4.36 4.36 0.00 peak 5104 assign ( resid 51 and name HA ) ( resid 52 and name HG1+ ) 3.97 3.97 0.00 peak 5111 assign ( resid 51 and name HA ) ( resid 93 and name HB1 ) 4.59 4.59 0.00 peak 5112 assign ( resid 52 and name HA ) ( resid 59 and name HA ) 4.18 4.18 0.00 peak 5113 assign ( resid 15 and name HG1+ ) ( resid 16 and name HA ) 4.24 4.24 0.00 peak 5119 assign ( resid 64 and name HA ) ( resid 67 and name HA ) 5.50 5.50 0.00 peak 5128 assign ( resid 68 and name HA ) ( resid 69 and name HA ) 5.50 5.50 0.00 peak 5128 assign ( resid 39 and name HA ) ( resid 40 and name HA ) 5.20 5.20 0.00 peak 5129 assign ( resid 76 and name HA2 ) ( resid 77 and name HA ) 5.50 5.50 0.00 peak 5129 assign ( resid 16 and name HA ) ( resid 17 and name HA2 ) 4.81 4.81 0.00 peak 5136 assign ( resid 54 and name HA ) ( resid 57 and name HA ) 3.85 3.85 0.00 peak 5142 assign ( resid 84 and name HA ) ( resid 85 and name HA ) 4.47 4.47 0.00 peak 5147 assign ( resid 83 and name HA ) ( resid 84 and name HA ) 4.59 4.59 0.00 peak 5149 assign ( resid 83 and name HB ) ( resid 84 and name HN ) 4.47 4.47 0.00 peak 5153 assign ( resid 73 and name HA ) ( resid 74 and name HA ) 4.79 4.79 0.00 peak 5156 assign ( resid 45 and name HA ) ( resid 46 and name HA ) 4.49 4.49 0.00 peak 5160 assign ( resid 28 and name HB ) ( resid 29 and name HD2 ) 4.54 4.54 0.00 peak 5161 assign ( resid 15 and name HA ) ( resid 16 and name HA ) 4.65 4.65 0.00 peak 5162 assign ( resid 67 and name HA ) ( resid 80 and name HB2 ) 4.55 4.55 0.00 peak 5165 assign ( resid 35 and name HA ) ( resid 35 and name HG2+ ) 3.22 3.22 0.00 peak 5170 assign ( resid 32 and name HB1 ) ( resid 36 and name HB1 ) 5.11 5.11 0.00 peak 5179 assign ( resid 70 and name HB+ ) ( resid 71 and name HA ) 4.46 4.46 0.00 peak 5185 assign ( resid 20 and name HA ) ( resid 21 and name HB2 ) 5.23 5.23 0.00 peak 5188 assign ( resid 28 and name HA ) ( resid 30 and name HB2 ) 5.16 5.16 0.00 peak 5189 assign ( resid 19 and name HE+ ) ( resid 34 and name HB+ ) 3.79 3.79 0.00 peak 5193 assign ( resid 74 and name HB1 ) ( resid 80 and name HE+ ) 5.37 5.37 0.00 peak 5195 assign ( resid 34 and name HN ) ( resid 36 and name HB1 ) 4.67 4.67 0.00 peak 5203 assign ( resid 86 and name HE+ ) ( resid 90 and name HE22 ) 4.34 4.34 0.00 peak 5215 assign ( resid 68 and name HB1 ) ( resid 71 and name HG ) 3.55 3.55 0.00 peak 5231 assign ( resid 68 and name HB2 ) ( resid 68 and name HG1 ) 2.60 2.60 0.00 peak 5236 assign ( resid 54 and name HB ) ( resid 95 and name HN ) 5.29 5.29 0.00 peak 5254 assign ( resid 27 and name HB1 ) ( resid 27 and name HE21 ) 4.50 4.50 0.00 peak 5260 assign ( resid 72 and name HB2 ) ( resid 73 and name HA ) 4.57 4.57 0.00 peak 5266 assign ( resid 77 and name HA ) ( resid 78 and name HB2 ) 4.49 4.49 0.00 peak 5267 assign ( resid 35 and name HG2+ ) ( resid 36 and name HB1 ) 4.33 4.33 0.00 peak 5274 assign ( resid 86 and name HE+ ) ( resid 92 and name HB ) 5.09 5.09 0.00 peak 5278 assign ( resid 31 and name HB2 ) ( resid 35 and name HG2+ ) 5.28 5.28 0.00 peak 5282 assign ( resid 72 and name HB1 ) ( resid 72 and name HD+ ) 3.27 3.27 0.00 peak 5286 assign ( resid 86 and name HG+ ) ( resid 92 and name HD1+ ) 3.32 3.32 0.00 peak 5288 assign ( resid 86 and name HB2 ) ( resid 92 and name HD1+ ) 3.17 3.17 0.00 peak 5289 assign ( resid 71 and name HB1 ) ( resid 72 and name HG1 ) 4.35 4.35 0.00 peak 5290 assign ( resid 54 and name HG1+ ) ( resid 94 and name HG2 ) 3.89 3.89 0.00 peak 5299 assign ( resid 15 and name HG1+ ) ( resid 17 and name HA2 ) 4.82 4.82 0.00 peak 5306 assign ( resid 52 and name HG2+ ) ( resid 54 and name HN ) 4.13 4.13 0.00 peak 5322 assign ( resid 76 and name HN ) ( resid 100 and name HD2+ ) 4.14 4.14 0.00 peak 5325 assign ( resid 97 and name HG11 ) ( resid 98 and name HN ) 5.02 5.02 0.00 peak 5328 assign ( resid 59 and name HA ) ( resid 92 and name HD1+ ) 4.65 4.65 0.00 peak 5339 assign ( resid 59 and name HD2+ ) ( resid 92 and name HA ) 4.71 4.71 0.00 peak 5340 assign ( resid 78 and name HA ) ( resid 100 and name HD2+ ) 5.26 5.26 0.00 peak 5342 assign ( resid 75 and name HD2 ) ( resid 100 and name HD2+ ) 4.44 4.44 0.00 peak 5350 assign ( resid 87 and name HG+ ) ( resid 91 and name HG2+ ) 4.01 4.01 0.00 peak 5371 assign ( resid 14 and name HB+ ) ( resid 14 and name HD+ ) 3.06 3.06 0.00 peak 2925 assign ( resid 14 and name HB+ ) ( resid 14 and name HE+ ) 4.37 4.37 0.00 peak 4731 assign ( resid 14 and name HB+ ) ( resid 15 and name HN ) 4.03 4.03 0.00 peak 1318 assign ( resid 14 and name HE+ ) ( resid 62 and name HD+ ) 2.55 2.55 0.00 peak 3013 assign ( resid 15 and name HA ) ( resid 16 and name HB+ ) 4.89 4.89 0.00 peak 104 assign ( resid 15 and name HB ) ( resid 62 and name HD+ ) 4.51 4.51 0.00 peak 5246 assign ( resid 15 and name HG2+ ) ( resid 20 and name HG+ ) 4.87 4.87 0.00 peak 1045 assign ( resid 16 and name HN ) ( resid 16 and name HB+ ) 3.37 3.37 0.00 peak 861 assign ( resid 19 and name HA ) ( resid 20 and name HB+ ) 4.63 4.63 0.00 peak 130 assign ( resid 20 and name HN ) ( resid 20 and name HB+ ) 2.94 2.94 0.00 peak 366 assign ( resid 20 and name HN ) ( resid 20 and name HG+ ) 4.80 4.80 0.00 peak 2138 assign ( resid 20 and name HA ) ( resid 20 and name HG+ ) 3.25 3.25 0.00 peak 4164 assign ( resid 20 and name HB+ ) ( resid 21 and name HN ) 4.03 4.03 0.00 peak 2405 assign ( resid 20 and name HB+ ) ( resid 27 and name HA ) 4.59 4.59 0.00 peak 1361 assign ( resid 20 and name HB+ ) ( resid 27 and name HE21 ) 3.36 3.36 0.00 peak 1829 assign ( resid 20 and name HB+ ) ( resid 27 and name HE22 ) 3.21 3.21 0.00 peak 1780 assign ( resid 20 and name HG+ ) ( resid 21 and name HN ) 4.09 4.09 0.00 peak 313 assign ( resid 20 and name HG+ ) ( resid 21 and name HA ) 4.84 4.84 0.00 peak 4746 assign ( resid 20 and name HG+ ) ( resid 24 and name HN ) 5.34 5.34 0.00 peak 4742 assign ( resid 20 and name HG+ ) ( resid 27 and name HA ) 4.53 4.53 0.00 peak 361 assign ( resid 20 and name HG+ ) ( resid 27 and name HB2 ) 3.62 3.62 0.00 peak 2754 assign ( resid 20 and name HG+ ) ( resid 27 and name HE21 ) 5.34 5.34 0.00 peak 4858 assign ( resid 23 and name HN ) ( resid 24 and name HB+ ) 4.49 4.49 0.00 peak 852 assign ( resid 23 and name HA ) ( resid 45 and name HG++ ) 4.91 4.91 0.00 peak 370 assign ( resid 23 and name HB+ ) ( resid 45 and name HG++ ) 3.88 3.88 0.00 peak 781 assign ( resid 23 and name HD+ ) ( resid 45 and name HG++ ) 3.45 3.45 0.00 peak 1949 assign ( resid 23 and name HE+ ) ( resid 45 and name HG++ ) 3.23 3.23 0.00 peak 3918 assign ( resid 24 and name HN ) ( resid 24 and name HB+ ) 3.23 3.23 0.00 peak 845 assign ( resid 28 and name HB ) ( resid 33 and name HB+ ) 4.41 4.41 0.00 peak 896 assign ( resid 28 and name HG2+ ) ( resid 33 and name HB+ ) 3.81 3.81 0.00 peak 4393 assign ( resid 28 and name HG2+ ) ( resid 33 and name HG+ ) 4.24 4.24 0.00 peak 1383 assign ( resid 30 and name HN ) ( resid 33 and name HB+ ) 4.34 4.34 0.00 peak 3127 assign ( resid 30 and name HB2 ) ( resid 33 and name HB+ ) 4.55 4.55 0.00 peak 1735 assign ( resid 30 and name HB1 ) ( resid 33 and name HG+ ) 3.27 3.27 0.00 peak 2715 assign ( resid 32 and name HN ) ( resid 33 and name HG+ ) 4.30 4.30 0.00 peak 2260 assign ( resid 33 and name HN ) ( resid 33 and name HB+ ) 3.18 3.18 0.00 peak 321 assign ( resid 33 and name HN ) ( resid 33 and name HG+ ) 3.11 3.11 0.00 peak 4 assign ( resid 33 and name HA ) ( resid 33 and name HG+ ) 3.20 3.20 0.00 peak 2839 assign ( resid 33 and name HB+ ) ( resid 34 and name HN ) 3.30 3.30 0.00 peak 520 assign ( resid 33 and name HB+ ) ( resid 34 and name HA ) 5.34 5.34 0.00 peak 4650 assign ( resid 33 and name HB+ ) ( resid 36 and name HN ) 5.18 5.18 0.00 peak 1129 assign ( resid 33 and name HB+ ) ( resid 36 and name HB1 ) 4.23 4.23 0.00 peak 674 assign ( resid 33 and name HB+ ) ( resid 36 and name HD+ ) 4.70 4.70 0.00 peak 1438 assign ( resid 33 and name HB+ ) ( resid 37 and name HN ) 4.44 4.44 0.00 peak 2000 assign ( resid 33 and name HG+ ) ( resid 34 and name HN ) 3.81 3.81 0.00 peak 829 assign ( resid 36 and name HA ) ( resid 39 and name HB+ ) 3.72 3.72 0.00 peak 3434 assign ( resid 36 and name HD+ ) ( resid 39 and name HB+ ) 4.80 4.80 0.00 peak 4798 assign ( resid 36 and name HD+ ) ( resid 40 and name HB+ ) 3.64 3.64 0.00 peak 2170 assign ( resid 37 and name HA ) ( resid 40 and name HB+ ) 3.84 3.84 0.00 peak 1737 assign ( resid 38 and name HN ) ( resid 39 and name HB+ ) 5.02 5.02 0.00 peak 818 assign ( resid 39 and name HN ) ( resid 39 and name HB+ ) 2.95 2.95 0.00 peak 148 assign ( resid 39 and name HN ) ( resid 40 and name HB+ ) 4.35 4.35 0.00 peak 812 assign ( resid 39 and name HB+ ) ( resid 40 and name HN ) 3.36 3.36 0.00 peak 577 assign ( resid 39 and name HB+ ) ( resid 40 and name HA ) 5.04 5.04 0.00 peak 526 assign ( resid 40 and name HB+ ) ( resid 41 and name HN ) 3.27 3.27 0.00 peak 1 assign ( resid 40 and name HB+ ) ( resid 41 and name HA ) 4.39 4.39 0.00 peak 3101 assign ( resid 40 and name HB+ ) ( resid 42 and name HN ) 5.10 5.10 0.00 peak 360 assign ( resid 42 and name HN ) ( resid 45 and name HG++ ) 5.27 5.27 0.00 peak 2426 assign ( resid 42 and name HB2 ) ( resid 45 and name HG++ ) 3.81 3.81 0.00 peak 1235 assign ( resid 42 and name HB1 ) ( resid 45 and name HG++ ) 3.62 3.62 0.00 peak 4427 assign ( resid 44 and name HA ) ( resid 44 and name HD2+ ) 3.79 3.79 0.00 peak 1546 assign ( resid 44 and name HB+ ) ( resid 44 and name HD2+ ) 3.24 3.24 0.00 peak 1864 assign ( resid 45 and name HN ) ( resid 45 and name HG++ ) 3.48 3.48 0.00 peak 493 assign ( resid 45 and name HA ) ( resid 45 and name HG++ ) 2.91 2.91 0.00 peak 4081 assign ( resid 45 and name HG++ ) ( resid 46 and name HA ) 4.14 4.14 0.00 peak 3156 assign ( resid 49 and name HB+ ) ( resid 50 and name HN ) 3.73 3.73 0.00 peak 801 assign ( resid 49 and name HB+ ) ( resid 93 and name HD+ ) 3.90 3.90 0.00 peak 1346 assign ( resid 50 and name HN ) ( resid 50 and name HB+ ) 2.94 2.94 0.00 peak 328 assign ( resid 50 and name HB+ ) ( resid 51 and name HN ) 3.27 3.27 0.00 peak 504 assign ( resid 50 and name HB+ ) ( resid 59 and name HD1+ ) 4.20 4.20 0.00 peak 2332 assign ( resid 50 and name HB+ ) ( resid 60 and name HN ) 4.73 4.73 0.00 peak 1719 assign ( resid 50 and name HB+ ) ( resid 92 and name HA ) 4.88 4.88 0.00 peak 1037 assign ( resid 50 and name HB+ ) ( resid 92 and name HG2+ ) 3.07 3.07 0.00 peak 2656 assign ( resid 50 and name HB+ ) ( resid 92 and name HG12 ) 4.09 4.09 0.00 peak 5268 assign ( resid 50 and name HB+ ) ( resid 93 and name HN ) 4.82 4.82 0.00 peak 2092 assign ( resid 51 and name HN ) ( resid 66 and name HD++ ) 4.42 4.42 0.00 peak 2015 assign ( resid 51 and name HB+ ) ( resid 66 and name HD++ ) 3.68 3.68 0.00 peak 2173 assign ( resid 51 and name HD+ ) ( resid 66 and name HD++ ) 3.94 3.94 0.00 peak 1774 assign ( resid 52 and name HA ) ( resid 66 and name HD++ ) 3.00 3.00 0.00 peak 4146 assign ( resid 53 and name HN ) ( resid 66 and name HD++ ) 3.28 3.28 0.00 peak 4013 assign ( resid 53 and name HA ) ( resid 66 and name HD++ ) 3.78 3.78 0.00 peak 3557 assign ( resid 53 and name HB2 ) ( resid 66 and name HD++ ) 3.81 3.81 0.00 peak 3531 assign ( resid 53 and name HB1 ) ( resid 66 and name HD++ ) 4.11 4.11 0.00 peak 1259 assign ( resid 58 and name HD+ ) ( resid 66 and name HD++ ) 3.89 3.89 0.00 peak 2737 assign ( resid 58 and name HE+ ) ( resid 66 and name HD++ ) 3.50 3.50 0.00 peak 2451 assign ( resid 58 and name HZ ) ( resid 66 and name HD++ ) 3.92 3.92 0.00 peak 5073 assign ( resid 59 and name HA ) ( resid 66 and name HD++ ) 3.97 3.97 0.00 peak 2708 assign ( resid 60 and name HN ) ( resid 66 and name HD++ ) 3.53 3.53 0.00 peak 3876 assign ( resid 60 and name HA ) ( resid 66 and name HD++ ) 5.09 5.09 0.00 peak 1309 assign ( resid 60 and name HG2+ ) ( resid 66 and name HD++ ) 3.01 3.01 0.00 peak 4444 assign ( resid 62 and name HG+ ) ( resid 65 and name HN ) 3.16 3.16 0.00 peak 2681 assign ( resid 62 and name HD+ ) ( resid 65 and name HA ) 4.60 4.60 0.00 peak 252 assign ( resid 64 and name HA ) ( resid 66 and name HD++ ) 4.55 4.55 0.00 peak 1842 assign ( resid 64 and name HB+ ) ( resid 66 and name HD++ ) 4.97 4.97 0.00 peak 967 assign ( resid 65 and name HN ) ( resid 66 and name HD++ ) 3.59 3.59 0.00 peak 730 assign ( resid 65 and name HB+ ) ( resid 66 and name HD++ ) 3.49 3.49 0.00 peak 2625 assign ( resid 66 and name HN ) ( resid 66 and name HD++ ) 2.85 2.85 0.00 peak 85 assign ( resid 66 and name HA ) ( resid 66 and name HD++ ) 4.03 4.03 0.00 peak 3346 assign ( resid 66 and name HB2 ) ( resid 66 and name HD++ ) 3.01 3.01 0.00 peak 4301 assign ( resid 66 and name HD++ ) ( resid 67 and name HN ) 3.33 3.33 0.00 peak 356 assign ( resid 66 and name HD++ ) ( resid 69 and name HN ) 4.91 4.91 0.00 peak 3260 assign ( resid 66 and name HD++ ) ( resid 69 and name HB2 ) 4.00 4.00 0.00 peak 5302 assign ( resid 70 and name HB+ ) ( resid 77 and name HG+ ) 4.20 4.20 0.00 peak 1500 assign ( resid 70 and name HD21 ) ( resid 77 and name HG+ ) 4.73 4.73 0.00 peak 1368 assign ( resid 76 and name HA1 ) ( resid 77 and name HG+ ) 5.10 5.10 0.00 peak 319 assign ( resid 77 and name HN ) ( resid 77 and name HG+ ) 3.27 3.27 0.00 peak 615 assign ( resid 77 and name HG+ ) ( resid 78 and name HN ) 3.86 3.86 0.00 peak 96 assign ( resid 77 and name HG+ ) ( resid 79 and name HN ) 4.38 4.38 0.00 peak 1020 assign ( resid 77 and name HG+ ) ( resid 79 and name HB2 ) 4.95 4.95 0.00 peak 1424 assign ( resid 77 and name HG+ ) ( resid 79 and name HD21 ) 3.79 3.79 0.00 peak 1886 assign ( resid 77 and name HG+ ) ( resid 79 and name HD22 ) 5.33 5.33 0.00 peak 431 assign ( resid 77 and name HG+ ) ( resid 97 and name HG2+ ) 3.75 3.75 0.00 peak 2353 assign ( resid 77 and name HG+ ) ( resid 99 and name HN ) 5.34 5.34 0.00 peak 2498 assign ( resid 77 and name HG+ ) ( resid 99 and name HB2 ) 4.61 4.61 0.00 peak 210 assign ( resid 77 and name HG+ ) ( resid 100 and name HN ) 4.18 4.18 0.00 peak 609 assign ( resid 77 and name HG+ ) ( resid 100 and name HB2 ) 4.85 4.85 0.00 peak 2342 assign ( resid 77 and name HG+ ) ( resid 100 and name HG ) 3.29 3.29 0.00 peak 2706 assign ( resid 77 and name HG+ ) ( resid 100 and name HD1+ ) 3.25 3.25 0.00 peak 2739 assign ( resid 77 and name HG+ ) ( resid 100 and name HD2+ ) 3.01 3.01 0.00 peak 2920 assign ( resid 84 and name HN ) ( resid 84 and name HB+ ) 3.29 3.29 0.00 peak 2492 assign ( resid 84 and name HB+ ) ( resid 85 and name HN ) 3.99 3.99 0.00 peak 363 assign ( resid 84 and name HB+ ) ( resid 85 and name HG1+ ) 4.13 4.13 0.00 peak 2092 assign ( resid 84 and name HB+ ) ( resid 85 and name HG2+ ) 4.83 4.83 0.00 peak 1643 assign ( resid 84 and name HB+ ) ( resid 93 and name HA ) 4.20 4.20 0.00 peak 794 assign ( resid 84 and name HB+ ) ( resid 93 and name HD+ ) 3.70 3.70 0.00 peak 1905 assign ( resid 85 and name HG1+ ) ( resid 87 and name HD+ ) 3.75 3.75 0.00 peak 1552 assign ( resid 86 and name HN ) ( resid 87 and name HD+ ) 4.32 4.32 0.00 peak 675 assign ( resid 87 and name HN ) ( resid 87 and name HD+ ) 4.24 4.24 0.00 peak 2081 assign ( resid 87 and name HA ) ( resid 87 and name HD+ ) 4.51 4.51 0.00 peak 3310 assign ( resid 87 and name HB2 ) ( resid 87 and name HD+ ) 3.26 3.26 0.00 peak 3765 assign ( resid 87 and name HB1 ) ( resid 87 and name HD+ ) 3.55 3.55 0.00 peak 3922 assign ( resid 101 and name HG2+ ) ( resid 102 and name HB+ ) 5.31 5.31 0.00 peak 4350 assign ( resid 102 and name HN ) ( resid 102 and name HB+ ) 2.63 2.63 0.00 peak 98
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:37:22 PM GMT (wattos1)