NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
597341 |
2n4e   |
25666 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | simple |
assign (resid 11 and name HA ) (resid 12 and name HN ) 2.49 0.69 0.69 !peak 2 #SUP 0.85 #QF 0.85 assign (resid 12 and name HA ) (resid 13 and name HN ) 2.79 0.99 0.99 !peak 6 #SUP 0.95 #QF 0.95 assign (resid 13 and name HN ) (resid 14 and name HG2* ) 3.80 2.00 2.00 !peak 11 #SUP 0.81 #QF 0.53 assign (resid 13 and name HN ) (resid 31 and name HG2* ) 4.07 2.27 2.27 !peak 11 #SUP 0.81 #QF 0.53 assign (resid 13 and name HA ) (resid 14 and name HN ) 2.51 0.71 0.71 !peak 13 #SUP 0.96 #QF 0.96 assign (resid 13 and name HG2 ) (resid 14 and name HN ) 3.45 1.65 1.65 !peak 16 #SUP 0.74 #QF 0.65 assign (resid 13 and name HG1 ) (resid 14 and name HN ) 3.45 1.65 1.65 !peak 17 #SUP 0.99 #QF 0.99 assign (resid 14 and name HA ) (resid 15 and name HN ) 2.61 0.81 0.81 !peak 21 #SUP 0.94 #QF 0.58 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.88 1.08 1.08 !peak 26 #SUP 0.98 #QF 0.98 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.78 1.98 1.97 !peak 27 #SUP 1.00 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.59 1.79 1.79 !peak 33 #SUP 1.00 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.60 0.80 0.80 !peak 34 #SUP 0.92 #QF 0.92 assign (resid 16 and name HB2 ) (resid 17 and name HN ) 3.57 1.77 1.77 !peak 35 #SUP 1.00 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 3.57 1.77 1.77 !peak 36 #SUP 1.00 assign (resid 17 and name HA ) (resid 18 and name HN ) 2.80 1.00 1.00 !peak 40 #SUP 0.95 #QF 0.77 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.74 1.94 1.94 !peak 41 #SUP 1.00 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.74 1.94 1.94 !peak 42 #SUP 1.00 assign (resid 18 and name HA ) (resid 19 and name HN ) 2.95 1.15 1.15 !peak 46 #SUP 0.99 #QF 0.99 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 4.34 2.54 2.54 !peak 47 #SUP 1.00 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.34 2.54 2.54 !peak 48 #SUP 1.00 assign (resid 28 and name HA ) (resid 29 and name HN ) 2.68 0.88 0.88 !peak 51 #SUP 0.96 #QF 0.96 assign (resid 28 and name HB ) (resid 29 and name HN ) 3.27 1.47 1.47 !peak 52 #SUP 1.00 assign (resid 28 and name HG2* ) (resid 29 and name HN ) 2.94 1.14 1.14 !peak 53 #SUP 0.98 #QF 0.98 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.75 0.95 0.95 !peak 54 #SUP 0.99 #QF 0.99 assign (resid 30 and name HG2* ) (resid 31 and name HN ) 3.09 1.29 1.29 !peak 56 #SUP 0.99 #QF 0.99 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.85 1.05 1.05 !peak 58 #SUP 0.99 #QF 0.99 assign (resid 31 and name HB ) (resid 32 and name HN ) 2.91 1.11 1.11 !peak 59 #SUP 1.00 assign (resid 31 and name HG1* ) (resid 32 and name HN ) 3.33 1.53 1.53 !peak 60 #SUP 1.00 assign (resid 31 and name HG2* ) (resid 32 and name HN ) 3.30 1.50 1.50 !peak 61 #SUP 1.00 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.77 0.97 0.97 !peak 62 #SUP 0.98 #QF 0.98 assign (resid 32 and name HB ) (resid 33 and name HN ) 3.52 1.72 1.72 !peak 64 #SUP 1.00 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 2.98 1.18 1.18 !peak 71 #SUP 1.00 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.10 1.30 1.30 !peak 72 #SUP 1.00 assign (resid 36 and name HG2 ) (resid 37 and name HN ) 3.97 2.17 2.17 !peak 73 #SUP 1.00 assign (resid 36 and name HG1 ) (resid 37 and name HN ) 3.97 2.17 2.17 !peak 74 #SUP 1.00 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 3.33 1.53 1.53 !peak 77 #SUP 0.99 #QF 0.99 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 3.07 1.27 1.27 !peak 79 #SUP 0.96 #QF 0.96 assign (resid 37 and name HD1* ) (resid 38 and name HN ) 3.87 2.07 2.07 !peak 80 #SUP 1.00 assign (resid 37 and name HD2* ) (resid 38 and name HN ) 3.87 2.07 2.07 !peak 81 #SUP 1.00 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 3.04 1.24 1.24 !peak 93 #SUP 1.00 #QF 0.40 assign (resid 39 and name HG2 ) (resid 40 and name HN ) 3.99 2.19 2.19 !peak 94 #SUP 1.00 assign (resid 39 and name HE2 ) (resid 40 and name HN ) 4.35 2.55 2.55 !peak 99 #SUP 0.64 #QF 0.35 assign (resid 39 and name HE1 ) (resid 40 and name HN ) 4.35 2.55 2.55 !peak 99 #SUP 0.64 #QF 0.35 assign (resid 40 and name HB ) (resid 41 and name HN ) 3.34 1.54 1.54 !peak 102 #SUP 0.99 #QF 0.99 assign (resid 40 and name HG1* ) (resid 41 and name HN ) 3.51 1.71 1.71 !peak 103 #SUP 1.00 assign (resid 40 and name HG2* ) (resid 41 and name HN ) 3.51 1.71 1.71 !peak 104 #SUP 1.00 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 3.17 1.37 1.37 !peak 107 #SUP 0.98 #QF 0.98 assign (resid 41 and name HG ) (resid 42 and name HN ) 3.80 2.00 2.00 !peak 109 #SUP 0.85 #QF 0.85 assign (resid 41 and name HD1* ) (resid 42 and name HN ) 3.86 2.06 2.06 !peak 111 #SUP 1.00 #QF 0.60 assign (resid 42 and name HN ) (resid 43 and name HN ) 2.91 1.11 1.11 !peak 112 #SUP 0.97 #QF 0.97 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.24 1.44 1.44 !peak 114 #SUP 0.98 #QF 0.98 assign (resid 44 and name HN ) (resid 45 and name HN ) 3.15 1.35 1.35 !peak 124 #SUP 0.99 #QF 0.99 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 3.30 1.50 1.50 !peak 126 #SUP 0.99 #QF 0.99 assign (resid 44 and name HG ) (resid 45 and name HN ) 3.58 1.78 1.78 !peak 128 #SUP 1.00 assign (resid 44 and name HD1* ) (resid 45 and name HN ) 3.86 2.06 2.06 !peak 130 #SUP 0.99 #QF 0.95 assign (resid 44 and name HD2* ) (resid 45 and name HN ) 3.86 2.06 2.06 !peak 130 #SUP 0.99 #QF 0.95 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 3.22 1.42 1.42 !peak 133 #SUP 1.00 assign (resid 46 and name HN ) (resid 47 and name HN ) 2.90 1.10 1.10 !peak 141 #SUP 0.95 #QF 0.95 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 2.99 1.19 1.19 !peak 143 #SUP 0.94 #QF 0.94 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 3.09 1.29 1.28 !peak 144 #SUP 1.00 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 3.21 1.41 1.41 !peak 148 #SUP 1.00 #QF 0.95 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 3.45 1.65 1.65 !peak 148 #SUP 1.00 #QF 0.95 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.02 1.22 1.22 !peak 151 #SUP 0.99 #QF 0.99 assign (resid 48 and name HG2* ) (resid 49 and name HN ) 3.15 1.35 1.35 !peak 154 #SUP 1.00 assign (resid 48 and name HG11 ) (resid 49 and name HN ) 3.36 1.56 1.56 !peak 155 #SUP 1.00 assign (resid 49 and name HN ) (resid 50 and name HN ) 2.87 1.07 1.07 !peak 158 #SUP 1.00 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.94 1.14 1.14 !peak 159 #SUP 1.00 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 2.69 0.89 0.89 !peak 161 #SUP 0.92 #QF 0.92 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 3.17 1.37 1.37 !peak 170 #SUP 1.00 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 3.17 1.37 1.37 !peak 171 #SUP 0.97 #QF 0.97 assign (resid 57 and name HA ) (resid 58 and name HN ) 2.87 1.07 1.07 !peak 178 #SUP 0.97 #QF 0.97 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.46 0.66 0.66 !peak 186 #SUP 0.87 #QF 0.87 assign (resid 58 and name HB ) (resid 59 and name HN ) 3.30 1.50 1.50 !peak 187 #SUP 1.00 assign (resid 58 and name HG2* ) (resid 59 and name HN ) 2.61 0.81 0.81 !peak 188 #SUP 0.92 #QF 0.92 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.68 0.88 0.88 !peak 190 #SUP 0.97 #QF 0.97 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.53 0.73 0.73 !peak 201 #SUP 0.91 #QF 0.91 assign (resid 61 and name HB ) (resid 62 and name HN ) 3.38 1.58 1.58 !peak 202 #SUP 1.00 assign (resid 61 and name HG2* ) (resid 62 and name HN ) 2.68 0.88 0.88 !peak 203 #SUP 0.98 #QF 0.98 assign (resid 62 and name HA ) (resid 63 and name HN ) 2.69 0.89 0.89 !peak 205 #SUP 0.99 #QF 0.90 assign (resid 62 and name HB* ) (resid 63 and name HN ) 2.95 1.15 1.15 !peak 206 #SUP 0.99 #QF 0.99 assign (resid 63 and name HN ) (resid 64 and name HN ) 2.74 0.94 0.94 !peak 207 #SUP 0.96 #QF 0.96 assign (resid 63 and name HG1 ) (resid 64 and name HN ) 3.79 1.99 1.99 !peak 212 #SUP 1.00 assign (resid 66 and name HN ) (resid 66 and name HB1 ) 3.13 1.33 1.33 !peak 221 #SUP 0.98 #QF 0.44 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 2.97 1.17 1.17 !peak 226 #SUP 0.99 #QF 0.99 assign (resid 67 and name HN ) (resid 70 and name HD1 ) 4.35 2.55 2.55 !peak 228 #SUP 1.00 assign (resid 67 and name HN ) (resid 70 and name HG2 ) 4.35 2.55 2.55 !peak 229 #SUP 1.00 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 2.97 1.17 1.17 !peak 231 #SUP 0.96 #QF 0.96 assign (resid 67 and name HN ) (resid 68 and name HN ) 2.63 0.83 0.83 !peak 234 #SUP 0.99 #QF 0.99 assign (resid 67 and name HG2 ) (resid 68 and name HN ) 3.75 1.95 1.95 !peak 238 #SUP 1.00 assign (resid 67 and name HG1 ) (resid 68 and name HN ) 3.75 1.95 1.95 !peak 239 #SUP 1.00 assign (resid 68 and name HB* ) (resid 69 and name HN ) 3.23 1.43 1.43 !peak 242 #SUP 1.00 assign (resid 69 and name HN ) (resid 70 and name HN ) 2.69 0.89 0.89 !peak 243 #SUP 0.99 #QF 0.99 assign (resid 69 and name HB2 ) (resid 70 and name HN ) 3.26 1.46 1.46 !peak 245 #SUP 1.00 assign (resid 69 and name HG2 ) (resid 70 and name HN ) 3.63 1.83 1.83 !peak 247 #SUP 1.00 assign (resid 69 and name HG1 ) (resid 70 and name HN ) 3.63 1.83 1.83 !peak 248 #SUP 1.00 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 3.18 1.38 1.38 !peak 252 #SUP 1.00 assign (resid 70 and name HG1 ) (resid 71 and name HN ) 3.37 1.57 1.57 !peak 253 #SUP 1.00 assign (resid 70 and name HG2 ) (resid 71 and name HN ) 3.42 1.62 1.62 !peak 254 #SUP 1.00 assign (resid 70 and name HD2 ) (resid 71 and name HN ) 4.35 2.55 2.55 !peak 255 #SUP 1.00 assign (resid 71 and name HN ) (resid 73 and name HB* ) 4.35 2.55 2.55 !peak 255 #SUP 1.00 assign (resid 71 and name HN ) (resid 72 and name HB* ) 3.34 1.54 1.54 !peak 256 #SUP 0.97 #QF 0.97 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.72 0.92 0.92 !peak 259 #SUP 1.00 assign (resid 71 and name HB2 ) (resid 72 and name HN ) 2.86 1.06 1.06 !peak 262 #SUP 0.97 #QF 0.97 assign (resid 71 and name HD2 ) (resid 72 and name HN ) 3.99 2.19 2.19 !peak 265 #SUP 1.00 assign (resid 72 and name HN ) (resid 73 and name HN ) 2.77 0.97 0.97 !peak 266 #SUP 0.98 #QF 0.98 assign (resid 72 and name HB* ) (resid 73 and name HN ) 2.58 0.78 0.78 !peak 268 #SUP 0.95 #QF 0.95 assign (resid 73 and name HB* ) (resid 74 and name HN ) 2.69 0.89 0.89 !peak 271 #SUP 0.98 #QF 0.98 assign (resid 74 and name HB ) (resid 75 and name HN ) 2.91 1.11 1.11 !peak 274 #SUP 1.00 assign (resid 74 and name HG2* ) (resid 75 and name HN ) 3.15 1.35 1.35 !peak 275 #SUP 1.00 assign (resid 76 and name HN ) (resid 87 and name HG2* ) 4.03 2.23 2.23 !peak 284 #SUP 1.00 assign (resid 76 and name HN ) (resid 77 and name HN ) 3.06 1.26 1.26 !peak 286 #SUP 0.99 #QF 0.99 assign (resid 76 and name HG2* ) (resid 77 and name HN ) 3.04 1.24 1.24 !peak 289 #SUP 1.00 assign (resid 76 and name HB ) (resid 77 and name HN ) 2.87 1.07 1.07 !peak 290 #SUP 0.98 #QF 0.98 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 3.21 1.41 1.41 !peak 295 #SUP 1.00 assign (resid 78 and name HN ) (resid 80 and name HB* ) 4.35 2.55 2.55 !peak 297 #SUP 1.00 assign (resid 77 and name HG1 ) (resid 78 and name HN ) 4.02 2.22 2.22 !peak 298 #SUP 1.00 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.86 1.06 1.06 !peak 303 #SUP 0.99 #QF 0.99 assign (resid 78 and name HB ) (resid 79 and name HN ) 2.91 1.11 1.11 !peak 305 #SUP 0.90 #QF 0.90 assign (resid 78 and name HG1* ) (resid 79 and name HN ) 3.15 1.35 1.35 !peak 307 #SUP 1.00 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.84 1.04 1.04 !peak 308 #SUP 1.00 assign (resid 79 and name HB2 ) (resid 80 and name HN ) 3.27 1.47 1.47 !peak 310 #SUP 0.99 #QF 0.99 assign (resid 79 and name HB1 ) (resid 80 and name HN ) 3.29 1.49 1.49 !peak 311 #SUP 1.00 assign (resid 80 and name HB* ) (resid 81 and name HN ) 2.71 0.91 0.91 !peak 316 #SUP 0.99 #QF 0.99 assign (resid 81 and name HG1 ) (resid 82 and name HN ) 3.99 2.19 2.19 !peak 322 #SUP 1.00 assign (resid 82 and name HB2 ) (resid 83 and name HN ) 3.69 1.89 1.89 !peak 326 #SUP 1.00 assign (resid 82 and name HG ) (resid 83 and name HN ) 4.26 2.46 2.46 !peak 327 #SUP 1.00 assign (resid 82 and name HD2* ) (resid 83 and name HN ) 4.06 2.26 2.26 !peak 328 #SUP 1.00 #QF 0.99 assign (resid 83 and name HN ) (resid 87 and name HD1* ) 4.22 2.42 2.42 !peak 328 #SUP 1.00 #QF 0.99 assign (resid 82 and name HD1* ) (resid 83 and name HN ) 4.29 2.49 2.49 !peak 329 #SUP 0.99 #QF 0.99 assign (resid 87 and name HA ) (resid 88 and name HN ) 2.64 0.84 0.84 !peak 333 #SUP 0.90 #QF 0.90 assign (resid 87 and name HB ) (resid 88 and name HN ) 3.60 1.80 1.80 !peak 334 #SUP 1.00 assign (resid 87 and name HG2* ) (resid 88 and name HN ) 2.94 1.14 1.14 !peak 335 #SUP 1.00 assign (resid 87 and name HD1* ) (resid 88 and name HN ) 3.27 1.47 1.47 !peak 338 #SUP 0.99 #QF 0.99 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.43 1.63 1.63 !peak 339 #SUP 0.84 #QF 0.84 assign (resid 88 and name HA ) (resid 89 and name HN ) 2.63 0.83 0.83 !peak 340 #SUP 0.98 #QF 0.98 assign (resid 88 and name HB2 ) (resid 89 and name HN ) 3.77 1.97 1.97 !peak 342 #SUP 0.97 #QF 0.50 assign (resid 88 and name HB1 ) (resid 89 and name HN ) 3.77 1.97 1.97 !peak 342 #SUP 0.97 #QF 0.50 assign (resid 89 and name HA ) (resid 90 and name HN ) 2.52 0.72 0.72 !peak 346 #SUP 0.86 #QF 0.86 assign (resid 89 and name HB ) (resid 90 and name HN ) 3.38 1.58 1.58 !peak 347 #SUP 1.00 assign (resid 89 and name HG1* ) (resid 90 and name HN ) 3.36 1.56 1.56 !peak 348 #SUP 1.00 assign (resid 89 and name HG2* ) (resid 90 and name HN ) 3.36 1.56 1.56 !peak 349 #SUP 0.95 #QF 0.95 assign (resid 94 and name HB1 ) (resid 95 and name HN ) 3.68 1.88 1.88 !peak 364 #SUP 1.00 #QF 0.29 assign (resid 96 and name HN ) (resid 97 and name HN ) 3.69 1.89 1.89 !peak 369 #SUP 1.00 assign (resid 96 and name HG1* ) (resid 97 and name HN ) 3.33 1.53 1.53 !peak 372 #SUP 0.99 #QF 0.99 assign (resid 96 and name HG2* ) (resid 97 and name HN ) 3.33 1.53 1.53 !peak 373 #SUP 1.00 assign (resid 58 and name HN ) (resid 98 and name HN ) 3.04 1.24 1.24 !peak 374 #SUP 0.53 #QF 0.53 assign (resid 97 and name HA ) (resid 98 and name HN ) 2.57 0.77 0.77 !peak 375 #SUP 0.92 #QF 0.92 assign (resid 97 and name HG2* ) (resid 98 and name HN ) 2.67 0.87 0.87 !peak 377 #SUP 0.95 #QF 0.95 assign (resid 102 and name HD2* ) (resid 103 and name HN ) 4.35 2.55 2.55 !peak 383 #SUP 1.00 assign (resid 103 and name HB2 ) (resid 104 and name HN ) 3.60 1.80 1.80 !peak 386 #SUP 0.98 #QF 0.98 assign (resid 103 and name HB1 ) (resid 104 and name HN ) 3.60 1.80 1.80 !peak 387 #SUP 1.00 assign (resid 105 and name HA ) (resid 106 and name HN ) 2.43 0.63 0.63 !peak 394 #SUP 0.92 #QF 0.92 assign (resid 105 and name HB ) (resid 106 and name HN ) 3.37 1.57 1.57 !peak 395 #SUP 0.95 #QF 0.95 assign (resid 105 and name HG1* ) (resid 106 and name HN ) 3.31 1.51 1.51 !peak 396 #SUP 0.98 #QF 0.98 assign (resid 105 and name HG2* ) (resid 106 and name HN ) 3.31 1.51 1.51 !peak 397 #SUP 0.85 #QF 0.85 assign (resid 18 and name HA ) (resid 18 and name HD22 ) 4.35 2.55 2.55 !peak 429 #SUP 1.00 #QF 0.22 assign (resid 42 and name HB2 ) (resid 42 and name HD21 ) 3.17 1.37 1.37 !peak 440 #SUP 1.00 assign (resid 42 and name HB1 ) (resid 42 and name HD21 ) 3.17 1.37 1.37 !peak 441 #SUP 1.00 assign (resid 42 and name HB2 ) (resid 42 and name HD22 ) 3.17 1.37 1.37 !peak 446 #SUP 0.99 #QF 0.99 assign (resid 42 and name HB1 ) (resid 42 and name HD22 ) 3.17 1.37 1.37 !peak 447 #SUP 1.00 assign (resid 51 and name HN ) (resid 51 and name HE21 ) 4.35 2.55 2.55 !peak 518 #SUP 0.99 #QF 0.98 assign (resid 51 and name HN ) (resid 51 and name HE22 ) 4.35 2.55 2.55 !peak 518 #SUP 0.99 #QF 0.98 assign (resid 51 and name HA ) (resid 51 and name HE21 ) 4.35 2.55 2.55 !peak 519 #SUP 1.00 #QF 0.98 assign (resid 51 and name HA ) (resid 51 and name HE22 ) 4.35 2.55 2.55 !peak 519 #SUP 1.00 #QF 0.98 assign (resid 12 and name HN ) (resid 12 and name HB ) 2.71 0.91 0.91 !peak 537 #SUP 0.98 #QF 0.98 assign (resid 12 and name HN ) (resid 12 and name HG2* ) 3.19 1.39 1.39 !peak 538 #SUP 1.00 assign (resid 12 and name HN ) (resid 12 and name HG11 ) 2.86 1.06 1.06 !peak 539 #SUP 0.99 #QF 0.99 assign (resid 12 and name HN ) (resid 12 and name HG12 ) 3.15 1.35 1.35 !peak 540 #SUP 0.95 #QF 0.95 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 3.23 1.43 1.43 !peak 544 #SUP 1.00 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.23 1.43 1.43 !peak 545 #SUP 0.98 #QF 0.98 assign (resid 13 and name HN ) (resid 13 and name HG2 ) 3.76 1.96 1.96 !peak 546 #SUP 1.00 assign (resid 14 and name HN ) (resid 14 and name HB ) 2.95 1.15 1.15 !peak 552 #SUP 0.98 #QF 0.98 assign (resid 15 and name HN ) (resid 15 and name HB1 ) 3.09 1.29 1.28 !peak 558 #SUP 1.00 assign (resid 15 and name HN ) (resid 15 and name HG2 ) 3.63 1.83 1.83 !peak 560 #SUP 0.94 #QF 0.90 assign (resid 15 and name HN ) (resid 15 and name HG1 ) 3.63 1.83 1.83 !peak 560 #SUP 0.94 #QF 0.90 assign (resid 17 and name HN ) (resid 17 and name HB2 ) 3.02 1.22 1.22 !peak 571 #SUP 0.96 #QF 0.96 assign (resid 17 and name HN ) (resid 17 and name HB1 ) 3.02 1.22 1.22 !peak 572 #SUP 0.97 #QF 0.97 assign (resid 19 and name HN ) (resid 19 and name HB ) 3.23 1.43 1.43 !peak 583 #SUP 1.00 assign (resid 31 and name HN ) (resid 31 and name HG2* ) 2.83 1.03 1.03 !peak 595 #SUP 0.99 #QF 0.99 assign (resid 32 and name HN ) (resid 32 and name HG2* ) 3.00 1.20 1.20 !peak 599 #SUP 0.99 #QF 0.99 assign (resid 32 and name HG2* ) (resid 33 and name HN ) 2.75 0.95 0.95 !peak 603 #SUP 0.59 #QF 0.59 assign (resid 36 and name HN ) (resid 36 and name HB2 ) 2.71 0.91 0.91 !peak 606 #SUP 0.99 #QF 0.99 assign (resid 36 and name HN ) (resid 36 and name HB1 ) 2.97 1.17 1.17 !peak 607 #SUP 1.00 assign (resid 36 and name HN ) (resid 36 and name HG2 ) 3.15 1.35 1.35 !peak 608 #SUP 1.00 assign (resid 36 and name HN ) (resid 36 and name HG1 ) 3.15 1.35 1.35 !peak 609 #SUP 1.00 assign (resid 37 and name HN ) (resid 37 and name HB2 ) 2.68 0.88 0.88 !peak 612 #SUP 0.98 #QF 0.98 assign (resid 37 and name HN ) (resid 37 and name HB1 ) 2.81 1.01 1.01 !peak 614 #SUP 0.96 #QF 0.96 assign (resid 37 and name HN ) (resid 37 and name HD1* ) 3.51 1.71 1.71 !peak 615 #SUP 1.00 assign (resid 38 and name HN ) (resid 38 and name HG2 ) 3.60 1.80 1.80 !peak 621 #SUP 1.00 assign (resid 39 and name HN ) (resid 39 and name HG1 ) 3.46 1.66 1.66 !peak 630 #SUP 1.00 assign (resid 40 and name HN ) (resid 40 and name HB ) 3.01 1.21 1.21 !peak 637 #SUP 1.00 assign (resid 40 and name HN ) (resid 40 and name HG1* ) 3.10 1.30 1.30 !peak 638 #SUP 1.00 assign (resid 40 and name HN ) (resid 40 and name HG2* ) 3.10 1.30 1.30 !peak 639 #SUP 0.99 #QF 0.99 assign (resid 41 and name HN ) (resid 41 and name HB2 ) 2.64 0.84 0.84 !peak 642 #SUP 0.98 #QF 0.98 assign (resid 41 and name HN ) (resid 41 and name HB1 ) 2.99 1.19 1.19 !peak 643 #SUP 1.00 assign (resid 41 and name HN ) (resid 41 and name HG ) 3.04 1.24 1.24 !peak 644 #SUP 1.00 assign (resid 41 and name HN ) (resid 41 and name HD1* ) 3.29 1.49 1.49 !peak 646 #SUP 0.88 #QF 0.60 assign (resid 42 and name HN ) (resid 42 and name HB2 ) 2.98 1.18 1.18 !peak 649 #SUP 0.99 #QF 0.99 assign (resid 43 and name HN ) (resid 43 and name HB2 ) 2.98 1.18 1.18 !peak 655 #SUP 0.97 #QF 0.97 assign (resid 43 and name HN ) (resid 43 and name HB1 ) 2.98 1.18 1.18 !peak 656 #SUP 0.99 #QF 0.99 assign (resid 45 and name HN ) (resid 45 and name HB2 ) 2.81 1.01 1.01 !peak 668 #SUP 1.00 assign (resid 45 and name HN ) (resid 45 and name HB1 ) 2.75 0.95 0.95 !peak 669 #SUP 0.99 #QF 0.99 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 3.30 1.50 1.50 !peak 670 #SUP 1.00 assign (resid 45 and name HN ) (resid 45 and name HG1 ) 3.62 1.82 1.82 !peak 671 #SUP 1.00 assign (resid 45 and name HN ) (resid 45 and name HD1 ) 3.70 1.90 1.90 !peak 673 #SUP 0.90 #QF 0.90 assign (resid 47 and name HN ) (resid 47 and name HB2 ) 2.76 0.96 0.96 !peak 683 #SUP 0.90 #QF 0.90 assign (resid 47 and name HN ) (resid 47 and name HD2 ) 3.43 1.63 1.63 !peak 685 #SUP 1.00 assign (resid 48 and name HN ) (resid 48 and name HB ) 3.04 1.24 1.24 !peak 688 #SUP 0.99 #QF 0.99 assign (resid 48 and name HN ) (resid 48 and name HG11 ) 3.05 1.25 1.25 !peak 690 #SUP 1.00 assign (resid 49 and name HN ) (resid 49 and name HB1 ) 2.80 1.00 1.00 !peak 696 #SUP 0.99 #QF 0.80 assign (resid 49 and name HN ) (resid 49 and name HB2 ) 2.86 1.06 1.06 !peak 696 #SUP 0.99 #QF 0.80 assign (resid 49 and name HN ) (resid 49 and name HG2 ) 3.73 1.93 1.93 !peak 698 #SUP 1.00 #QF 0.95 assign (resid 49 and name HN ) (resid 49 and name HG1 ) 3.90 2.10 2.10 !peak 698 #SUP 1.00 #QF 0.95 assign (resid 48 and name HB ) (resid 49 and name HN ) 2.84 1.04 1.04 !peak 700 #SUP 0.99 #QF 0.99 assign (resid 50 and name HN ) (resid 50 and name HB2 ) 2.81 1.01 1.01 !peak 705 #SUP 0.97 #QF 0.97 assign (resid 50 and name HN ) (resid 50 and name HB1 ) 2.81 1.01 1.01 !peak 706 #SUP 1.00 assign (resid 48 and name HB ) (resid 50 and name HN ) 4.31 2.51 2.51 !peak 710 #SUP 0.99 #QF 0.94 assign (resid 51 and name HN ) (resid 51 and name HB2 ) 3.04 1.24 1.24 !peak 715 #SUP 0.99 #QF 0.99 assign (resid 51 and name HN ) (resid 51 and name HB1 ) 3.04 1.24 1.24 !peak 716 #SUP 0.97 #QF 0.97 assign (resid 58 and name HN ) (resid 58 and name HB ) 3.23 1.43 1.43 !peak 723 #SUP 1.00 assign (resid 58 and name HN ) (resid 58 and name HG2* ) 3.63 1.83 1.83 !peak 724 #SUP 1.00 assign (resid 59 and name HN ) (resid 59 and name HB2 ) 3.07 1.27 1.27 !peak 727 #SUP 0.99 #QF 0.99 assign (resid 59 and name HN ) (resid 59 and name HB1 ) 3.07 1.27 1.27 !peak 728 #SUP 0.97 #QF 0.97 assign (resid 60 and name HN ) (resid 60 and name HB ) 3.03 1.23 1.23 !peak 731 #SUP 0.99 #QF 0.99 assign (resid 60 and name HN ) (resid 60 and name HG12 ) 3.43 1.63 1.63 !peak 733 #SUP 1.00 assign (resid 60 and name HN ) (resid 60 and name HG11 ) 3.43 1.63 1.63 !peak 734 #SUP 1.00 assign (resid 60 and name HN ) (resid 60 and name HG2* ) 3.39 1.59 1.59 !peak 735 #SUP 1.00 #QF 0.99 assign (resid 62 and name HN ) (resid 62 and name HB* ) 2.79 0.99 0.99 !peak 742 #SUP 1.00 assign (resid 63 and name HN ) (resid 63 and name HB1 ) 3.18 1.38 1.38 !peak 746 #SUP 1.00 assign (resid 63 and name HN ) (resid 63 and name HB2 ) 3.18 1.38 1.38 !peak 747 #SUP 1.00 #QF 0.84 assign (resid 63 and name HN ) (resid 63 and name HG2 ) 3.16 1.36 1.36 !peak 747 #SUP 1.00 #QF 0.84 assign (resid 63 and name HN ) (resid 63 and name HG1 ) 3.16 1.36 1.36 !peak 748 #SUP 1.00 assign (resid 64 and name HN ) (resid 64 and name HB ) 3.21 1.41 1.41 !peak 753 #SUP 1.00 assign (resid 64 and name HN ) (resid 64 and name HG2* ) 2.72 0.92 0.92 !peak 754 #SUP 0.99 #QF 0.99 assign (resid 65 and name HG2 ) (resid 66 and name HN ) 3.86 2.06 2.06 !peak 759 #SUP 0.97 #QF 0.36 assign (resid 66 and name HN ) (resid 66 and name HG1 ) 3.69 1.89 1.89 !peak 760 #SUP 1.00 assign (resid 67 and name HN ) (resid 67 and name HG2 ) 2.94 1.14 1.14 !peak 769 #SUP 0.99 #QF 0.99 assign (resid 67 and name HN ) (resid 67 and name HG1 ) 2.94 1.14 1.14 !peak 770 #SUP 0.99 #QF 0.99 assign (resid 68 and name HN ) (resid 68 and name HB* ) 2.76 0.96 0.96 !peak 773 #SUP 1.00 assign (resid 69 and name HN ) (resid 69 and name HB2 ) 3.07 1.27 1.27 !peak 776 #SUP 0.98 #QF 0.98 assign (resid 69 and name HN ) (resid 69 and name HG2 ) 3.00 1.20 1.20 !peak 778 #SUP 0.99 #QF 0.99 assign (resid 69 and name HN ) (resid 69 and name HG1 ) 3.00 1.20 1.20 !peak 779 #SUP 1.00 assign (resid 70 and name HN ) (resid 70 and name HB2 ) 2.99 1.19 1.19 !peak 782 #SUP 1.00 assign (resid 70 and name HN ) (resid 70 and name HB1 ) 2.56 0.76 0.76 !peak 783 #SUP 0.97 #QF 0.97 assign (resid 70 and name HN ) (resid 70 and name HG1 ) 3.23 1.43 1.43 !peak 784 #SUP 1.00 assign (resid 70 and name HN ) (resid 70 and name HG2 ) 3.09 1.29 1.29 !peak 785 #SUP 1.00 assign (resid 70 and name HN ) (resid 73 and name HB* ) 4.18 2.38 2.38 !peak 786 #SUP 1.00 assign (resid 70 and name HN ) (resid 70 and name HD1 ) 3.25 1.45 1.45 !peak 787 #SUP 0.95 #QF 0.95 assign (resid 71 and name HN ) (resid 71 and name HB2 ) 2.67 0.87 0.87 !peak 793 #SUP 0.90 #QF 0.90 assign (resid 71 and name HN ) (resid 71 and name HD2 ) 3.38 1.58 1.58 !peak 796 #SUP 1.00 assign (resid 72 and name HN ) (resid 72 and name HB* ) 2.49 0.69 0.69 !peak 799 #SUP 0.97 #QF 0.97 assign (resid 73 and name HN ) (resid 73 and name HB* ) 2.38 0.58 0.58 !peak 802 #SUP 0.90 #QF 0.90 assign (resid 74 and name HN ) (resid 74 and name HB ) 2.57 0.77 0.77 !peak 805 #SUP 0.99 #QF 0.99 assign (resid 74 and name HN ) (resid 74 and name HG12 ) 2.92 1.12 1.12 !peak 807 #SUP 1.00 assign (resid 74 and name HN ) (resid 74 and name HG11 ) 2.92 1.12 1.12 !peak 808 #SUP 1.00 assign (resid 74 and name HN ) (resid 74 and name HD1* ) 2.93 1.13 1.13 !peak 809 #SUP 1.00 assign (resid 72 and name HA ) (resid 75 and name HN ) 3.06 1.26 1.26 !peak 811 #SUP 1.00 #QF 0.77 assign (resid 75 and name HN ) (resid 75 and name HB2 ) 3.08 1.28 1.28 !peak 812 #SUP 1.00 assign (resid 75 and name HN ) (resid 75 and name HB1 ) 3.08 1.28 1.28 !peak 813 #SUP 1.00 assign (resid 75 and name HN ) (resid 75 and name HG ) 3.09 1.29 1.28 !peak 814 #SUP 0.80 #QF 0.80 assign (resid 75 and name HN ) (resid 75 and name HD1* ) 3.34 1.54 1.54 !peak 815 #SUP 1.00 assign (resid 76 and name HN ) (resid 76 and name HB ) 2.80 1.00 1.00 !peak 821 #SUP 1.00 #QF 0.99 assign (resid 76 and name HN ) (resid 76 and name HD1* ) 3.17 1.37 1.37 !peak 823 #SUP 1.00 assign (resid 77 and name HN ) (resid 77 and name HB2 ) 2.69 0.89 0.89 !peak 826 #SUP 0.99 #QF 0.99 assign (resid 77 and name HN ) (resid 80 and name HB* ) 3.96 2.16 2.16 !peak 828 #SUP 1.00 assign (resid 77 and name HN ) (resid 77 and name HG1 ) 3.52 1.72 1.72 !peak 829 #SUP 1.00 assign (resid 78 and name HN ) (resid 78 and name HG1* ) 3.26 1.46 1.46 !peak 838 #SUP 1.00 assign (resid 79 and name HN ) (resid 79 and name HB2 ) 2.87 1.07 1.07 !peak 841 #SUP 0.98 #QF 0.98 assign (resid 79 and name HN ) (resid 79 and name HB1 ) 2.99 1.19 1.19 !peak 842 #SUP 0.99 #QF 0.99 assign (resid 79 and name HN ) (resid 79 and name HD2 ) 3.17 1.37 1.37 !peak 844 #SUP 0.99 #QF 0.99 assign (resid 80 and name HN ) (resid 80 and name HB* ) 2.48 0.68 0.68 !peak 847 #SUP 0.98 #QF 0.98 assign (resid 81 and name HN ) (resid 81 and name HB2 ) 2.81 1.01 1.01 !peak 850 #SUP 1.00 assign (resid 81 and name HN ) (resid 81 and name HG2 ) 3.13 1.33 1.33 !peak 852 #SUP 1.00 assign (resid 81 and name HN ) (resid 81 and name HG1 ) 3.13 1.33 1.33 !peak 853 #SUP 1.00 assign (resid 82 and name HN ) (resid 82 and name HB2 ) 3.04 1.24 1.24 !peak 857 #SUP 1.00 #QF 0.99 assign (resid 82 and name HN ) (resid 82 and name HG ) 2.86 1.06 1.06 !peak 858 #SUP 0.99 #QF 0.99 assign (resid 82 and name HN ) (resid 82 and name HD2* ) 3.11 1.31 1.31 !peak 859 #SUP 1.00 assign (resid 88 and name HN ) (resid 88 and name HB2 ) 3.04 1.24 1.24 !peak 873 #SUP 0.93 #QF 0.74 assign (resid 88 and name HN ) (resid 88 and name HB1 ) 3.04 1.24 1.24 !peak 873 #SUP 0.93 #QF 0.74 assign (resid 89 and name HN ) (resid 89 and name HB ) 2.85 1.05 1.05 !peak 878 #SUP 0.99 #QF 0.99 assign (resid 89 and name HN ) (resid 89 and name HG1* ) 3.14 1.34 1.34 !peak 879 #SUP 0.99 #QF 0.99 assign (resid 89 and name HN ) (resid 89 and name HG2* ) 3.14 1.34 1.34 !peak 880 #SUP 1.00 assign (resid 90 and name HN ) (resid 90 and name HG2* ) 3.19 1.39 1.39 !peak 884 #SUP 1.00 assign (resid 94 and name HN ) (resid 94 and name HB2 ) 3.26 1.46 1.46 !peak 891 #SUP 1.00 assign (resid 94 and name HN ) (resid 94 and name HB1 ) 3.26 1.46 1.46 !peak 892 #SUP 0.96 #QF 0.60 assign (resid 97 and name HN ) (resid 97 and name HB ) 3.00 1.20 1.20 !peak 904 #SUP 0.96 #QF 0.96 assign (resid 97 and name HN ) (resid 97 and name HG2* ) 3.34 1.54 1.54 !peak 905 #SUP 1.00 assign (resid 98 and name HN ) (resid 98 and name HB ) 2.83 1.03 1.03 !peak 908 #SUP 0.97 #QF 0.97 assign (resid 98 and name HN ) (resid 98 and name HG1* ) 3.15 1.35 1.35 !peak 909 #SUP 0.96 #QF 0.96 assign (resid 98 and name HN ) (resid 98 and name HG2* ) 3.15 1.35 1.35 !peak 910 #SUP 1.00 assign (resid 103 and name HN ) (resid 103 and name HG2 ) 4.28 2.48 2.48 !peak 916 #SUP 1.00 assign (resid 103 and name HN ) (resid 103 and name HG1 ) 4.28 2.48 2.48 !peak 916 #SUP 1.00 assign (resid 105 and name HN ) (resid 105 and name HB ) 3.17 1.37 1.37 !peak 922 #SUP 1.00 assign (resid 105 and name HN ) (resid 105 and name HG1* ) 3.32 1.52 1.52 !peak 923 #SUP 1.00 assign (resid 105 and name HN ) (resid 105 and name HG2* ) 3.32 1.52 1.52 !peak 924 #SUP 0.95 #QF 0.95 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.73 0.93 0.93 !peak 938 #SUP 0.97 #QF 0.97 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.80 1.00 1.00 !peak 939 #SUP 0.99 #QF 0.99 assign (resid 38 and name HN ) (resid 39 and name HN ) 2.81 1.01 1.01 !peak 940 #SUP 1.00 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.68 0.88 0.88 !peak 941 #SUP 0.99 #QF 0.99 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.81 1.01 1.01 !peak 943 #SUP 1.00 #QF 0.96 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.93 1.13 1.13 !peak 943 #SUP 1.00 #QF 0.96 assign (resid 43 and name HN ) (resid 44 and name HN ) 3.04 1.24 1.24 !peak 945 #SUP 0.96 #QF 0.96 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.96 1.16 1.16 !peak 947 #SUP 0.98 #QF 0.98 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.04 1.24 1.24 !peak 949 #SUP 0.99 #QF 0.99 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.86 1.06 1.06 !peak 952 #SUP 0.94 #QF 0.94 assign (resid 58 and name HN ) (resid 59 and name HN ) 3.60 1.80 1.80 !peak 954 #SUP 0.96 #QF 0.78 assign (resid 59 and name HN ) (resid 60 and name HN ) 3.83 2.03 2.03 !peak 954 #SUP 0.96 #QF 0.78 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.48 1.68 1.68 !peak 957 #SUP 1.00 assign (resid 66 and name HN ) (resid 67 and name HN ) 3.18 1.38 1.38 !peak 959 #SUP 1.00 assign (resid 68 and name HN ) (resid 69 and name HN ) 2.70 0.90 0.90 !peak 961 #SUP 0.95 #QF 0.95 assign (resid 70 and name HN ) (resid 71 and name HN ) 2.62 0.83 0.83 !peak 963 #SUP 0.99 #QF 0.99 assign (resid 73 and name HN ) (resid 74 and name HN ) 2.70 0.90 0.90 !peak 966 #SUP 1.00 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.83 1.03 1.03 !peak 967 #SUP 0.99 #QF 0.99 assign (resid 75 and name HN ) (resid 76 and name HN ) 3.13 1.33 1.33 !peak 968 #SUP 0.99 #QF 0.99 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.88 1.08 1.08 !peak 970 #SUP 0.99 #QF 0.99 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.80 1.00 1.00 !peak 973 #SUP 1.00 assign (resid 81 and name HN ) (resid 82 and name HN ) 2.79 0.99 0.99 !peak 974 #SUP 0.98 #QF 0.98 assign (resid 94 and name HN ) (resid 95 and name HN ) 3.02 1.22 1.22 !peak 979 #SUP 0.81 #QF 0.81 assign (resid 60 and name HN ) (resid 96 and name HN ) 3.46 1.66 1.66 !peak 981 #SUP 0.97 #QF 0.92 assign (resid 97 and name HN ) (resid 98 and name HN ) 3.61 1.81 1.81 !peak 982 #SUP 1.00 assign (resid 103 and name HN ) (resid 104 and name HN ) 3.69 1.89 1.89 !peak 983 #SUP 1.00 assign (resid 104 and name HN ) (resid 105 and name HN ) 4.09 2.29 2.29 !peak 984 #SUP 1.00 assign (resid 105 and name HN ) (resid 106 and name HN ) 3.40 1.60 1.60 !peak 985 #SUP 1.00 assign (resid 37 and name HN ) (resid 39 and name HN ) 3.39 1.59 1.59 !peak 994 #SUP 1.00 assign (resid 36 and name HA ) (resid 38 and name HN ) 3.61 1.81 1.81 !peak 995 #SUP 0.98 #QF 0.98 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.38 1.58 1.58 !peak 997 #SUP 0.96 #QF 0.96 assign (resid 37 and name HA ) (resid 39 and name HN ) 3.55 1.75 1.74 !peak 1000 #SUP 1.00 assign (resid 36 and name HA ) (resid 39 and name HN ) 3.06 1.26 1.26 !peak 1002 #SUP 0.99 #QF 0.99 assign (resid 35 and name HA ) (resid 39 and name HN ) 4.05 2.25 2.25 !peak 1003 #SUP 0.99 #QF 0.99 assign (resid 38 and name HA ) (resid 40 and name HN ) 3.82 2.02 2.02 !peak 1005 #SUP 1.00 assign (resid 36 and name HA ) (resid 40 and name HN ) 3.72 1.92 1.92 !peak 1008 #SUP 1.00 assign (resid 39 and name HN ) (resid 41 and name HN ) 3.44 1.64 1.64 !peak 1011 #SUP 1.00 assign (resid 38 and name HA ) (resid 41 and name HN ) 3.20 1.40 1.40 !peak 1012 #SUP 1.00 assign (resid 41 and name HN ) (resid 43 and name HN ) 3.60 1.80 1.80 !peak 1014 #SUP 0.98 #QF 0.98 assign (resid 39 and name HA ) (resid 42 and name HN ) 3.30 1.50 1.50 !peak 1017 #SUP 0.98 #QF 0.98 assign (resid 41 and name HA ) (resid 43 and name HN ) 3.71 1.91 1.91 !peak 1020 #SUP 1.00 assign (resid 40 and name HA ) (resid 43 and name HN ) 3.28 1.48 1.48 !peak 1022 #SUP 0.99 #QF 0.99 assign (resid 39 and name HA ) (resid 43 and name HN ) 3.70 1.90 1.90 !peak 1023 #SUP 0.95 #QF 0.95 assign (resid 43 and name HN ) (resid 45 and name HN ) 3.46 1.66 1.66 !peak 1024 #SUP 0.98 #QF 0.98 assign (resid 42 and name HA ) (resid 45 and name HN ) 3.25 1.45 1.45 !peak 1032 #SUP 1.00 assign (resid 45 and name HN ) (resid 47 and name HN ) 3.46 1.66 1.66 !peak 1034 #SUP 0.95 #QF 0.95 assign (resid 44 and name HA ) (resid 47 and name HN ) 3.24 1.44 1.44 !peak 1042 #SUP 0.96 #QF 0.96 assign (resid 47 and name HN ) (resid 49 and name HN ) 3.42 1.62 1.62 !peak 1044 #SUP 0.95 #QF 0.95 assign (resid 48 and name HN ) (resid 50 and name HN ) 3.44 1.64 1.64 !peak 1049 #SUP 0.98 #QF 0.98 assign (resid 47 and name HA ) (resid 50 and name HN ) 3.27 1.47 1.47 !peak 1056 #SUP 1.00 assign (resid 46 and name HA ) (resid 50 and name HN ) 3.55 1.75 1.75 !peak 1057 #SUP 0.99 #QF 0.99 assign (resid 66 and name HN ) (resid 68 and name HN ) 3.47 1.67 1.67 !peak 1059 #SUP 0.92 #QF 0.92 assign (resid 67 and name HN ) (resid 69 and name HN ) 3.54 1.74 1.74 !peak 1062 #SUP 0.99 #QF 0.99 assign (resid 66 and name HA ) (resid 68 and name HN ) 3.76 1.96 1.96 !peak 1063 #SUP 1.00 assign (resid 67 and name HA ) (resid 69 and name HN ) 3.49 1.69 1.69 !peak 1067 #SUP 0.93 #QF 0.79 assign (resid 66 and name HA ) (resid 69 and name HN ) 3.13 1.33 1.33 !peak 1069 #SUP 1.00 assign (resid 69 and name HN ) (resid 71 and name HN ) 3.46 1.66 1.66 !peak 1071 #SUP 1.00 assign (resid 68 and name HN ) (resid 70 and name HN ) 3.49 1.69 1.69 !peak 1073 #SUP 1.00 assign (resid 67 and name HA ) (resid 70 and name HN ) 2.91 1.11 1.11 !peak 1074 #SUP 0.99 #QF 0.99 assign (resid 66 and name HA ) (resid 70 and name HN ) 3.60 1.80 1.80 !peak 1075 #SUP 1.00 assign (resid 70 and name HN ) (resid 72 and name HN ) 3.36 1.56 1.56 !peak 1076 #SUP 0.99 #QF 0.99 assign (resid 69 and name HA ) (resid 71 and name HN ) 3.56 1.76 1.76 !peak 1077 #SUP 1.00 assign (resid 68 and name HA ) (resid 71 and name HN ) 3.13 1.33 1.33 !peak 1080 #SUP 0.61 #QF 0.61 assign (resid 70 and name HA ) (resid 72 and name HN ) 3.50 1.70 1.70 !peak 1082 #SUP 0.99 #QF 0.99 assign (resid 69 and name HA ) (resid 72 and name HN ) 3.26 1.46 1.46 !peak 1084 #SUP 0.99 #QF 0.99 assign (resid 68 and name HA ) (resid 72 and name HN ) 3.30 1.50 1.50 !peak 1085 #SUP 0.92 #QF 0.92 assign (resid 71 and name HN ) (resid 73 and name HN ) 3.40 1.60 1.60 !peak 1088 #SUP 1.00 assign (resid 70 and name HA ) (resid 73 and name HN ) 3.16 1.36 1.36 !peak 1089 #SUP 0.99 #QF 0.99 assign (resid 69 and name HA ) (resid 73 and name HN ) 3.64 1.84 1.84 !peak 1090 #SUP 0.99 #QF 0.99 assign (resid 72 and name HA ) (resid 74 and name HN ) 3.38 1.58 1.58 !peak 1092 #SUP 0.93 #QF 0.93 assign (resid 71 and name HA ) (resid 74 and name HN ) 3.17 1.37 1.37 !peak 1094 #SUP 0.97 #QF 0.97 assign (resid 70 and name HA ) (resid 74 and name HN ) 3.79 1.99 1.99 !peak 1095 #SUP 1.00 assign (resid 73 and name HA ) (resid 75 and name HN ) 4.29 2.49 2.49 !peak 1097 #SUP 1.00 assign (resid 73 and name HN ) (resid 75 and name HN ) 3.78 1.98 1.98 !peak 1098 #SUP 1.00 assign (resid 71 and name HA ) (resid 75 and name HN ) 3.85 2.05 2.05 !peak 1100 #SUP 1.00 assign (resid 73 and name HA ) (resid 76 and name HN ) 3.47 1.67 1.67 !peak 1104 #SUP 1.00 assign (resid 75 and name HA ) (resid 77 and name HN ) 3.63 1.83 1.83 !peak 1107 #SUP 1.00 assign (resid 74 and name HA ) (resid 77 and name HN ) 3.33 1.53 1.53 !peak 1109 #SUP 1.00 assign (resid 73 and name HA ) (resid 77 and name HN ) 3.71 1.91 1.91 !peak 1110 #SUP 1.00 assign (resid 76 and name HA ) (resid 78 and name HN ) 3.55 1.75 1.75 !peak 1112 #SUP 0.94 #QF 0.94 assign (resid 75 and name HA ) (resid 78 and name HN ) 3.21 1.41 1.41 !peak 1114 #SUP 1.00 assign (resid 76 and name HA ) (resid 79 and name HN ) 3.33 1.53 1.53 !peak 1119 #SUP 0.99 #QF 0.99 assign (resid 75 and name HA ) (resid 79 and name HN ) 3.65 1.85 1.85 !peak 1120 #SUP 1.00 assign (resid 78 and name HN ) (resid 80 and name HN ) 3.48 1.68 1.68 !peak 1123 #SUP 0.98 #QF 0.98 assign (resid 77 and name HA ) (resid 80 and name HN ) 3.36 1.56 1.56 !peak 1124 #SUP 1.00 assign (resid 79 and name HA ) (resid 81 and name HN ) 3.45 1.65 1.65 !peak 1126 #SUP 0.99 #QF 0.99 assign (resid 79 and name HN ) (resid 81 and name HN ) 3.49 1.69 1.69 !peak 1127 #SUP 1.00 assign (resid 77 and name HA ) (resid 81 and name HN ) 3.58 1.78 1.78 !peak 1129 #SUP 0.94 #QF 0.94 assign (resid 12 and name HN ) (resid 31 and name HN ) 3.34 1.54 1.54 !peak 4051 #SUP 0.96 #QF 0.96 assign (resid 12 and name HN ) (resid 30 and name HG2* ) 3.40 1.60 1.60 !peak 4074 #SUP 0.99 #QF 0.99 assign (resid 12 and name HN ) (resid 32 and name HG2* ) 3.95 2.15 2.15 !peak 4075 #SUP 0.96 #QF 0.96 assign (resid 13 and name HN ) (resid 61 and name HN ) 3.59 1.79 1.79 !peak 4086 #SUP 0.88 #QF 0.88 assign (resid 14 and name HN ) (resid 28 and name HG2* ) 3.18 1.38 1.38 !peak 4090 #SUP 0.41 #QF 0.41 assign (resid 12 and name HG2* ) (resid 14 and name HN ) 3.46 1.66 1.66 !peak 4118 #SUP 0.21 #QF 0.21 assign (resid 15 and name HN ) (resid 58 and name HG2* ) 3.13 1.33 1.33 !peak 4120 #SUP 0.88 #QF 0.88 assign (resid 17 and name HN ) (resid 58 and name HA ) 3.11 1.31 1.31 !peak 4131 #SUP 0.97 #QF 0.97 assign (resid 17 and name HN ) (resid 58 and name HG2* ) 3.67 1.87 1.87 !peak 4144 #SUP 0.99 #QF 0.99 assign (resid 14 and name HG2* ) (resid 29 and name HN ) 3.63 1.83 1.83 !peak 4166 #SUP 0.98 #QF 0.93 assign (resid 14 and name HG1* ) (resid 29 and name HN ) 3.72 1.92 1.92 !peak 4166 #SUP 0.98 #QF 0.93 assign (resid 14 and name HB ) (resid 29 and name HN ) 3.23 1.43 1.43 !peak 4167 #SUP 0.87 #QF 0.87 assign (resid 12 and name HB ) (resid 31 and name HN ) 3.38 1.58 1.58 !peak 4197 #SUP 0.99 #QF 0.99 assign (resid 31 and name HG1* ) (resid 33 and name HN ) 3.37 1.57 1.57 !peak 4223 #SUP 0.99 #QF 0.99 assign (resid 33 and name HN ) (resid 36 and name HB2 ) 2.86 1.06 1.06 !peak 4226 #SUP 0.90 #QF 0.90 assign (resid 31 and name HB ) (resid 33 and name HN ) 2.93 1.13 1.13 !peak 4227 #SUP 0.96 #QF 0.96 assign (resid 33 and name HN ) (resid 36 and name HN ) 3.52 1.72 1.72 !peak 4229 #SUP 1.00 assign (resid 33 and name HG2* ) (resid 36 and name HN ) 3.41 1.61 1.61 !peak 4236 #SUP 0.97 #QF 0.97 assign (resid 31 and name HG2* ) (resid 36 and name HN ) 4.11 2.31 2.31 !peak 4237 #SUP 1.00 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.65 1.85 1.85 !peak 4248 #SUP 1.00 assign (resid 47 and name HN ) (resid 49 and name HB1 ) 4.35 2.55 2.55 !peak 4327 #SUP 0.91 #QF 0.74 assign (resid 47 and name HN ) (resid 49 and name HB2 ) 4.35 2.55 2.55 !peak 4327 #SUP 0.91 #QF 0.74 assign (resid 47 and name HN ) (resid 48 and name HG11 ) 3.47 1.67 1.67 !peak 4328 #SUP 0.80 #QF 0.80 assign (resid 49 and name HN ) (resid 82 and name HD1* ) 3.21 1.41 1.41 !peak 4345 #SUP 0.97 #QF 0.97 assign (resid 14 and name HG1* ) (resid 59 and name HN ) 3.68 1.88 1.88 !peak 4383 #SUP 1.00 assign (resid 15 and name HB1 ) (resid 59 and name HN ) 3.41 1.61 1.61 !peak 4385 #SUP 0.99 #QF 0.99 assign (resid 15 and name HB2 ) (resid 59 and name HN ) 3.41 1.61 1.61 !peak 4386 #SUP 0.95 #QF 0.95 assign (resid 15 and name HG2 ) (resid 59 and name HN ) 4.35 2.55 2.55 !peak 4387 #SUP 0.97 #QF 0.85 assign (resid 15 and name HG1 ) (resid 59 and name HN ) 4.35 2.55 2.55 !peak 4387 #SUP 0.97 #QF 0.85 assign (resid 15 and name HA ) (resid 59 and name HN ) 3.90 2.10 2.10 !peak 4388 #SUP 1.00 #QF 0.98 assign (resid 59 and name HN ) (resid 97 and name HA ) 4.15 2.35 2.35 !peak 4388 #SUP 1.00 #QF 0.98 assign (resid 14 and name HA ) (resid 59 and name HN ) 4.00 2.20 2.20 !peak 4389 #SUP 0.88 #QF 0.88 assign (resid 15 and name HN ) (resid 59 and name HN ) 2.84 1.04 1.04 !peak 4407 #SUP 0.86 #QF 0.86 assign (resid 60 and name HN ) (resid 96 and name HG1* ) 3.91 2.11 2.11 !peak 4428 #SUP 0.78 #QF 0.47 assign (resid 60 and name HN ) (resid 96 and name HG2* ) 3.91 2.11 2.11 !peak 4433 #SUP 0.99 #QF 0.92 assign (resid 61 and name HN ) (resid 95 and name HG2* ) 3.62 1.82 1.82 !peak 4443 #SUP 0.93 #QF 0.88 assign (resid 62 and name HN ) (resid 96 and name HN ) 3.35 1.55 1.55 !peak 4461 #SUP 0.93 #QF 0.93 assign (resid 62 and name HN ) (resid 95 and name HA ) 2.62 0.82 0.82 !peak 4468 #SUP 0.89 #QF 0.89 assign (resid 62 and name HN ) (resid 95 and name HG2* ) 3.11 1.31 1.31 !peak 4477 #SUP 0.82 #QF 0.82 assign (resid 64 and name HG2* ) (resid 67 and name HN ) 3.45 1.65 1.65 !peak 4511 #SUP 0.99 #QF 0.99 assign (resid 62 and name HB* ) (resid 68 and name HN ) 2.80 1.00 1.00 !peak 4521 #SUP 0.85 #QF 0.85 assign (resid 64 and name HG2* ) (resid 68 and name HN ) 4.13 2.33 2.33 !peak 4522 #SUP 0.95 #QF 0.95 assign (resid 72 and name HN ) (resid 76 and name HD1* ) 4.35 2.55 2.55 !peak 4547 #SUP 0.99 #QF 0.54 assign (resid 73 and name HN ) (resid 74 and name HD1* ) 4.03 2.23 2.23 !peak 4563 #SUP 0.99 #QF 0.99 assign (resid 73 and name HN ) (resid 76 and name HD1* ) 3.28 1.48 1.48 !peak 4564 #SUP 1.00 assign (resid 73 and name HN ) (resid 74 and name HB ) 4.35 2.55 2.55 !peak 4565 #SUP 1.00 #QF 0.21 assign (resid 75 and name HN ) (resid 76 and name HD1* ) 3.23 1.43 1.43 !peak 4607 #SUP 0.43 #QF 0.43 assign (resid 41 and name HD1* ) (resid 75 and name HN ) 3.68 1.88 1.88 !peak 4608 #SUP 0.64 #QF 0.24 assign (resid 41 and name HD2* ) (resid 75 and name HN ) 3.68 1.88 1.88 !peak 4608 #SUP 0.64 #QF 0.24 assign (resid 79 and name HN ) (resid 82 and name HD1* ) 4.29 2.49 2.49 !peak 4649 #SUP 0.93 #QF 0.58 assign (resid 79 and name HN ) (resid 87 and name HG2* ) 4.35 2.55 2.55 !peak 4649 #SUP 0.93 #QF 0.58 assign (resid 79 and name HN ) (resid 87 and name HD1* ) 3.40 1.60 1.60 !peak 4650 #SUP 0.75 #QF 0.75 assign (resid 79 and name HN ) (resid 80 and name HB* ) 3.52 1.72 1.72 !peak 4651 #SUP 0.93 #QF 0.93 assign (resid 80 and name HN ) (resid 87 and name HD1* ) 3.13 1.33 1.33 !peak 4654 #SUP 0.75 #QF 0.75 assign (resid 80 and name HN ) (resid 83 and name HN ) 3.68 1.88 1.88 !peak 4661 #SUP 0.93 #QF 0.93 assign (resid 81 and name HN ) (resid 82 and name HD2* ) 4.14 2.34 2.34 !peak 4676 #SUP 0.98 #QF 0.93 assign (resid 81 and name HN ) (resid 87 and name HD1* ) 4.33 2.53 2.53 !peak 4676 #SUP 0.98 #QF 0.93 assign (resid 90 and name HN ) (resid 97 and name HB ) 3.57 1.77 1.77 !peak 4707 #SUP 0.74 #QF 0.74 assign (resid 91 and name HA ) (resid 97 and name HN ) 3.66 1.86 1.86 !peak 4754 #SUP 0.92 #QF 0.92 assign (resid 90 and name HB ) (resid 97 and name HN ) 3.68 1.88 1.88 !peak 4788 #SUP 0.83 #QF 0.83 assign (resid 62 and name HB* ) (resid 96 and name HN ) 3.55 1.75 1.75 !peak 4790 #SUP 1.00 #QF 0.88 assign (resid 80 and name HB* ) (resid 82 and name HN ) 3.52 1.72 1.72 !peak 4879 #SUP 0.89 #QF 0.89 assign (resid 31 and name HG2* ) (resid 37 and name HN ) 3.18 1.38 1.38 !peak 4895 #SUP 0.97 #QF 0.96 assign (resid 31 and name HG1* ) (resid 37 and name HN ) 3.28 1.48 1.48 !peak 4896 #SUP 0.78 #QF 0.78 assign (resid 16 and name HA ) (resid 59 and name HN ) 3.01 1.21 1.21 !peak 4898 #SUP 0.94 #QF 0.94 assign (resid 60 and name HN ) (resid 97 and name HA ) 3.26 1.46 1.46 !peak 4902 #SUP 0.94 #QF 0.94 assign (resid 90 and name HN ) (resid 98 and name HA ) 3.12 1.32 1.32 !peak 4931 #SUP 0.83 #QF 0.83 assign (resid 19 and name HN ) (resid 56 and name HA ) 3.77 1.97 1.97 !peak 4965 #SUP 0.92 #QF 0.92 assign (resid 12 and name HN ) (resid 61 and name HB ) 4.02 2.22 2.22 !peak 4974 #SUP 0.88 #QF 0.88 assign (resid 15 and name HN ) (resid 60 and name HA ) 3.16 1.36 1.36 !peak 5004 #SUP 0.49 #QF 0.49 assign (resid 15 and name HA ) (resid 29 and name HN ) 3.55 1.75 1.75 !peak 5021 #SUP 0.50 #QF 0.50 assign (resid 14 and name HG1* ) (resid 16 and name HN ) 3.63 1.83 1.83 !peak 5022 #SUP 0.79 #QF 0.79 assign (resid 17 and name HN ) (resid 59 and name HN ) 3.86 2.06 2.06 !peak 5025 #SUP 0.99 #QF 0.99 assign (resid 33 and name HB ) (resid 36 and name HN ) 3.58 1.78 1.78 !peak 5076 #SUP 0.89 #QF 0.89 assign (resid 38 and name HN ) (resid 39 and name HA ) 4.03 2.23 2.23 !peak 5134 #SUP 0.98 #QF 0.98 assign (resid 42 and name HN ) (resid 45 and name HN ) 3.69 1.89 1.89 !peak 5164 #SUP 0.98 #QF 0.98 assign (resid 45 and name HN ) (resid 78 and name HG1* ) 3.55 1.75 1.75 !peak 5174 #SUP 1.00 assign (resid 50 and name HN ) (resid 82 and name HD2* ) 4.26 2.46 2.46 !peak 5208 #SUP 0.94 #QF 0.89 assign (resid 64 and name HN ) (resid 67 and name HN ) 3.11 1.31 1.31 !peak 5253 #SUP 0.87 #QF 0.87 assign (resid 64 and name HN ) (resid 68 and name HN ) 3.49 1.69 1.69 !peak 5254 #SUP 0.97 #QF 0.97 assign (resid 69 and name HN ) (resid 70 and name HB1 ) 3.72 1.92 1.92 !peak 5271 #SUP 0.86 #QF 0.86 assign (resid 69 and name HN ) (resid 70 and name HD1 ) 4.26 2.46 2.46 !peak 5272 #SUP 0.96 #QF 0.38 assign (resid 69 and name HN ) (resid 72 and name HB* ) 4.35 2.55 2.55 !peak 5272 #SUP 0.96 #QF 0.38 assign (resid 70 and name HN ) (resid 71 and name HB2 ) 3.55 1.75 1.75 !peak 5274 #SUP 0.96 #QF 0.96 assign (resid 70 and name HG1 ) (resid 72 and name HN ) 4.35 2.55 2.55 !peak 5289 #SUP 0.93 #QF 0.60 assign (resid 76 and name HN ) (resid 77 and name HB2 ) 3.63 1.83 1.83 !peak 5308 #SUP 0.80 #QF 0.80 assign (resid 79 and name HA ) (resid 82 and name HN ) 3.29 1.49 1.49 !peak 5335 #SUP 0.95 #QF 0.95 assign (resid 80 and name HB* ) (resid 83 and name HN ) 3.58 1.78 1.78 !peak 5341 #SUP 0.90 #QF 0.90 assign (resid 83 and name HN ) (resid 84 and name HN ) 3.45 1.65 1.65 !peak 5344 #SUP 0.94 #QF 0.94 assign (resid 81 and name HN ) (resid 83 and name HN ) 3.52 1.72 1.72 !peak 5345 #SUP 0.98 #QF 0.98 assign (resid 11 and name HN ) (resid 11 and name HA ) 2.58 0.78 0.78 !peak 5351 #SUP 0.96 #QF 0.96 assign (resid 58 and name HB ) (resid 98 and name HN ) 3.53 1.73 1.73 !peak 5399 #SUP 0.88 #QF 0.88 assign (resid 105 and name HN ) (resid 106 and name HA ) 3.69 1.89 1.89 !peak 5415 #SUP 0.89 #QF 0.89 assign (resid 12 and name HN ) (resid 32 and name HA ) 2.84 1.04 1.04 !peak 5425 #SUP 0.72 #QF 0.72 assign (resid 10 and name HA* ) (resid 11 and name HN ) 2.58 0.78 0.78 !peak 5426 #SUP 1.00 assign (resid 12 and name HG2* ) (resid 31 and name HN ) 3.23 1.43 1.43 !peak 5429 #SUP 0.93 #QF 0.93 assign (resid 58 and name HN ) (resid 75 and name HD1* ) 3.91 2.11 2.11 !peak 5434 #SUP 0.86 #QF 0.54 assign (resid 61 and name HG2* ) (resid 63 and name HN ) 3.58 1.78 1.78 !peak 5435 #SUP 0.58 #QF 0.58 assign (resid 64 and name HN ) (resid 67 and name HG2 ) 3.38 1.58 1.58 !peak 5437 #SUP 0.84 #QF 0.74 assign (resid 64 and name HN ) (resid 66 and name HN ) 4.06 2.26 2.26 !peak 5438 #SUP 0.89 #QF 0.89 assign (resid 64 and name HB ) (resid 67 and name HN ) 3.83 2.03 2.03 !peak 5439 #SUP 0.94 #QF 0.82 assign (resid 65 and name HA ) (resid 67 and name HN ) 4.03 2.23 2.23 !peak 5439 #SUP 0.94 #QF 0.82 assign (resid 76 and name HA ) (resid 80 and name HN ) 3.69 1.89 1.89 !peak 5441 #SUP 0.83 #QF 0.83 assign (resid 90 and name HG2* ) (resid 97 and name HN ) 3.83 2.03 2.03 !peak 5442 #SUP 0.97 #QF 0.97 assign (resid 62 and name HB* ) (resid 97 and name HN ) 4.35 2.55 2.55 !peak 5443 #SUP 0.90 #QF 0.90 assign (resid 60 and name HG2* ) (resid 62 and name HN ) 3.76 1.96 1.96 !peak 5486 #SUP 0.93 #QF 0.93 assign (resid 101 and name HG* ) (resid 101 and name HE22 ) 2.99 1.19 1.19 !peak 5561 #SUP 0.92 #QF 0.92 assign (resid 101 and name HB* ) (resid 101 and name HE22 ) 3.35 1.55 1.55 !peak 5563 #SUP 0.94 #QF 0.94 assign (resid 101 and name HG* ) (resid 101 and name HE21 ) 2.99 1.19 1.19 !peak 5564 #SUP 0.99 #QF 0.99 assign (resid 101 and name HB* ) (resid 101 and name HE21 ) 3.35 1.55 1.55 !peak 5565 #SUP 0.97 #QF 0.97 assign (resid 55 and name HG* ) (resid 56 and name HN ) 3.57 1.77 1.77 !peak 5600 #SUP 1.00 assign (resid 87 and name HN ) (resid 87 and name HD1* ) 3.33 1.53 1.53 !peak 5640 #SUP 0.86 #QF 0.86 assign (resid 85 and name HB* ) (resid 85 and name HD21 ) 3.17 1.37 1.37 !peak 5661 #SUP 1.00 assign (resid 85 and name HB* ) (resid 85 and name HD22 ) 3.17 1.37 1.37 !peak 5662 #SUP 1.00 assign (resid 16 and name HD21 ) (resid 48 and name HD1* ) 3.98 2.18 2.18 !peak 5676 #SUP 0.89 #QF 0.89 assign (resid 32 and name HN ) (resid 36 and name HB2 ) 3.60 1.80 1.80 !peak 5677 #SUP 1.00 assign (resid 32 and name HN ) (resid 36 and name HB1 ) 3.71 1.91 1.91 !peak 5678 #SUP 1.00 assign (resid 64 and name HB ) (resid 66 and name HN ) 3.24 1.44 1.44 !peak 5683 #SUP 1.00 #QF 0.39 assign (resid 76 and name HN ) (resid 98 and name HG1* ) 3.76 1.96 1.96 !peak 5684 #SUP 0.97 #QF 0.97 assign (resid 12 and name HA ) (resid 12 and name HG11 ) 3.20 1.40 1.40 !peak 1144 #SUP 1.00 assign (resid 12 and name HA ) (resid 12 and name HD1* ) 3.21 1.41 1.41 !peak 1146 #SUP 1.00 assign (resid 12 and name HB ) (resid 31 and name HG2* ) 2.96 1.16 1.16 !peak 1153 #SUP 1.00 #QF 0.99 assign (resid 12 and name HG2* ) (resid 13 and name HN ) 3.02 1.22 1.22 !peak 1154 #SUP 0.62 #QF 0.62 assign (resid 12 and name HA ) (resid 12 and name HG2* ) 2.90 1.10 1.10 !peak 1155 #SUP 1.00 assign (resid 12 and name HG2* ) (resid 12 and name HG12 ) 2.81 1.01 1.01 !peak 1159 #SUP 1.00 assign (resid 12 and name HG2* ) (resid 12 and name HD1* ) 2.28 0.48 0.48 !peak 1160 #SUP 0.89 #QF 0.89 assign (resid 12 and name HG2* ) (resid 12 and name HG11 ) 2.88 1.08 1.08 !peak 1164 #SUP 1.00 assign (resid 12 and name HA ) (resid 12 and name HG12 ) 3.15 1.35 1.35 !peak 1169 #SUP 1.00 assign (resid 12 and name HN ) (resid 12 and name HD1* ) 3.25 1.45 1.45 !peak 1175 #SUP 1.00 assign (resid 12 and name HB ) (resid 12 and name HD1* ) 2.84 1.04 1.04 !peak 1177 #SUP 1.00 assign (resid 13 and name HA ) (resid 13 and name HG2 ) 3.31 1.51 1.51 !peak 1207 #SUP 1.00 assign (resid 13 and name HN ) (resid 13 and name HG1 ) 3.76 1.96 1.96 !peak 1214 #SUP 1.00 assign (resid 13 and name HA ) (resid 13 and name HG1 ) 3.31 1.51 1.51 !peak 1215 #SUP 1.00 assign (resid 14 and name HN ) (resid 14 and name HG2* ) 2.68 0.88 0.88 !peak 1232 #SUP 0.96 #QF 0.96 assign (resid 14 and name HA ) (resid 14 and name HG2* ) 2.72 0.92 0.92 !peak 1233 #SUP 1.00 assign (resid 14 and name HG1* ) (resid 15 and name HN ) 2.77 0.97 0.97 !peak 1237 #SUP 0.94 #QF 0.91 assign (resid 14 and name HA ) (resid 14 and name HG1* ) 2.76 0.96 0.96 !peak 1238 #SUP 1.00 assign (resid 15 and name HN ) (resid 15 and name HB2 ) 3.09 1.29 1.28 !peak 1250 #SUP 1.00 assign (resid 18 and name HA ) (resid 18 and name HD21 ) 4.35 2.55 2.55 !peak 1322 #SUP 1.00 assign (resid 19 and name HN ) (resid 19 and name HG2* ) 3.75 1.95 1.95 !peak 1344 #SUP 1.00 assign (resid 28 and name HA ) (resid 28 and name HG2* ) 2.90 1.10 1.10 !peak 1354 #SUP 0.98 #QF 0.98 assign (resid 29 and name HA ) (resid 29 and name HD2 ) 4.03 2.23 2.23 !peak 1362 #SUP 1.00 assign (resid 30 and name HA ) (resid 30 and name HG2* ) 2.67 0.87 0.87 !peak 1393 #SUP 0.96 #QF 0.96 assign (resid 31 and name HN ) (resid 31 and name HG1* ) 3.19 1.39 1.39 !peak 1406 #SUP 1.00 assign (resid 31 and name HA ) (resid 31 and name HG1* ) 2.77 0.97 0.97 !peak 1407 #SUP 1.00 assign (resid 31 and name HG1* ) (resid 40 and name HG2* ) 3.12 1.32 1.32 !peak 1410 #SUP 1.00 assign (resid 31 and name HA ) (resid 31 and name HG2* ) 3.13 1.33 1.33 !peak 1412 #SUP 1.00 assign (resid 32 and name HA ) (resid 32 and name HG2* ) 2.83 1.03 1.03 !peak 1425 #SUP 1.00 assign (resid 33 and name HN ) (resid 33 and name HB ) 2.94 1.14 1.14 !peak 1432 #SUP 0.83 #QF 0.83 assign (resid 33 and name HN ) (resid 33 and name HG2* ) 3.26 1.46 1.46 !peak 1436 #SUP 1.00 assign (resid 33 and name HA ) (resid 33 and name HG2* ) 2.66 0.86 0.86 !peak 1437 #SUP 0.91 #QF 0.91 assign (resid 36 and name HA ) (resid 36 and name HG2 ) 3.18 1.38 1.38 !peak 1463 #SUP 1.00 assign (resid 36 and name HA ) (resid 36 and name HG1 ) 3.18 1.38 1.38 !peak 1484 #SUP 1.00 assign (resid 37 and name HA ) (resid 37 and name HG ) 3.34 1.54 1.54 !peak 1493 #SUP 1.00 #QF 0.97 assign (resid 37 and name HB2 ) (resid 37 and name HD1* ) 3.09 1.29 1.29 !peak 1501 #SUP 1.00 assign (resid 37 and name HB1 ) (resid 37 and name HD1* ) 3.23 1.43 1.43 !peak 1508 #SUP 1.00 assign (resid 37 and name HB1 ) (resid 37 and name HD2* ) 3.23 1.43 1.43 !peak 1509 #SUP 1.00 assign (resid 37 and name HN ) (resid 37 and name HG ) 3.64 1.84 1.84 !peak 1510 #SUP 1.00 assign (resid 37 and name HN ) (resid 37 and name HD2* ) 3.51 1.71 1.71 !peak 1524 #SUP 1.00 assign (resid 37 and name HB2 ) (resid 37 and name HD2* ) 3.09 1.29 1.29 !peak 1526 #SUP 1.00 assign (resid 38 and name HA ) (resid 38 and name HG2 ) 3.23 1.43 1.43 !peak 1556 #SUP 1.00 assign (resid 38 and name HN ) (resid 38 and name HG1 ) 3.60 1.80 1.80 !peak 1563 #SUP 1.00 assign (resid 38 and name HA ) (resid 38 and name HG1 ) 3.23 1.43 1.43 !peak 1564 #SUP 0.90 #QF 0.90 assign (resid 39 and name HA ) (resid 39 and name HG2 ) 2.94 1.14 1.14 !peak 1575 #SUP 1.00 assign (resid 39 and name HA ) (resid 39 and name HG1 ) 2.94 1.14 1.14 !peak 1576 #SUP 0.90 #QF 0.90 assign (resid 39 and name HN ) (resid 39 and name HG2 ) 3.46 1.66 1.66 !peak 1601 #SUP 1.00 assign (resid 39 and name HN ) (resid 39 and name HE2 ) 4.32 2.52 2.52 !peak 1641 #SUP 0.98 #QF 0.90 assign (resid 39 and name HN ) (resid 39 and name HE1 ) 4.32 2.52 2.52 !peak 1641 #SUP 0.98 #QF 0.90 assign (resid 40 and name HA ) (resid 40 and name HG1* ) 3.11 1.31 1.31 !peak 1664 #SUP 1.00 assign (resid 40 and name HA ) (resid 40 and name HG2* ) 3.11 1.31 1.31 !peak 1665 #SUP 1.00 assign (resid 41 and name HA ) (resid 41 and name HG ) 3.17 1.37 1.37 !peak 1685 #SUP 1.00 assign (resid 41 and name HA ) (resid 41 and name HD1* ) 2.73 0.93 0.93 !peak 1687 #SUP 1.00 #QF 0.32 assign (resid 41 and name HB1 ) (resid 41 and name HD1* ) 2.96 1.16 1.16 !peak 1712 #SUP 1.00 assign (resid 41 and name HN ) (resid 41 and name HD2* ) 3.29 1.49 1.49 !peak 1716 #SUP 1.00 assign (resid 41 and name HA ) (resid 41 and name HD2* ) 2.73 0.93 0.93 !peak 1717 #SUP 0.98 #QF 0.98 assign (resid 41 and name HB1 ) (resid 41 and name HD2* ) 2.96 1.16 1.16 !peak 1719 #SUP 1.00 assign (resid 42 and name HN ) (resid 42 and name HB1 ) 2.98 1.18 1.18 !peak 1735 #SUP 1.00 assign (resid 44 and name HA ) (resid 44 and name HG ) 3.03 1.23 1.23 !peak 1775 #SUP 1.00 assign (resid 44 and name HN ) (resid 44 and name HG ) 3.53 1.73 1.73 !peak 1792 #SUP 0.99 #QF 0.99 assign (resid 44 and name HN ) (resid 44 and name HD1* ) 4.11 2.31 2.31 !peak 1799 #SUP 1.00 assign (resid 44 and name HN ) (resid 44 and name HD2* ) 4.11 2.31 2.31 !peak 1799 #SUP 1.00 assign (resid 44 and name HB2 ) (resid 44 and name HD1* ) 3.18 1.38 1.38 !peak 1801 #SUP 0.96 #QF 0.39 assign (resid 44 and name HB2 ) (resid 44 and name HD2* ) 3.18 1.38 1.38 !peak 1801 #SUP 0.96 #QF 0.39 assign (resid 44 and name HB1 ) (resid 44 and name HD1* ) 3.18 1.38 1.38 !peak 1802 #SUP 1.00 assign (resid 44 and name HB1 ) (resid 44 and name HD2* ) 3.18 1.38 1.38 !peak 1802 #SUP 1.00 assign (resid 45 and name HA ) (resid 45 and name HG2 ) 3.10 1.30 1.30 !peak 1817 #SUP 1.00 assign (resid 45 and name HA ) (resid 45 and name HG1 ) 3.16 1.36 1.36 !peak 1818 #SUP 1.00 assign (resid 45 and name HB2 ) (resid 45 and name HD1 ) 2.68 0.88 0.88 !peak 1830 #SUP 1.00 assign (resid 45 and name HB1 ) (resid 45 and name HD1 ) 2.82 1.02 1.02 !peak 1840 #SUP 1.00 assign (resid 45 and name HB1 ) (resid 45 and name HE2 ) 3.50 1.70 1.70 !peak 1841 #SUP 1.00 assign (resid 45 and name HN ) (resid 45 and name HG2 ) 3.49 1.69 1.69 !peak 1843 #SUP 1.00 assign (resid 45 and name HG2 ) (resid 45 and name HD2 ) 2.51 0.71 0.71 !peak 1850 #SUP 1.00 assign (resid 45 and name HG1 ) (resid 82 and name HG ) 3.25 1.45 1.45 !peak 1855 #SUP 1.00 assign (resid 45 and name HD1 ) (resid 78 and name HA ) 3.40 1.60 1.60 !peak 1874 #SUP 1.00 #QF 0.55 assign (resid 45 and name HA ) (resid 45 and name HE2 ) 4.35 2.55 2.55 !peak 1884 #SUP 1.00 assign (resid 45 and name HE2 ) (resid 78 and name HA ) 4.35 2.55 2.55 !peak 1884 #SUP 1.00 assign (resid 45 and name HB2 ) (resid 45 and name HE2 ) 3.26 1.46 1.46 !peak 1885 #SUP 1.00 assign (resid 45 and name HG2 ) (resid 45 and name HE2 ) 3.29 1.49 1.49 !peak 1887 #SUP 1.00 assign (resid 45 and name HA ) (resid 45 and name HE1 ) 4.35 2.55 2.55 !peak 1894 #SUP 0.98 #QF 0.95 assign (resid 45 and name HE1 ) (resid 78 and name HA ) 4.35 2.55 2.55 !peak 1894 #SUP 0.98 #QF 0.95 assign (resid 45 and name HB2 ) (resid 45 and name HE1 ) 3.26 1.46 1.46 !peak 1895 #SUP 0.98 #QF 0.95 assign (resid 50 and name HB2 ) (resid 50 and name HE2 ) 3.94 2.14 2.14 !peak 1895 #SUP 0.98 #QF 0.95 assign (resid 45 and name HB1 ) (resid 45 and name HE1 ) 3.50 1.70 1.70 !peak 1896 #SUP 1.00 assign (resid 45 and name HG2 ) (resid 45 and name HE1 ) 3.29 1.49 1.49 !peak 1897 #SUP 0.95 #QF 0.95 assign (resid 46 and name HN ) (resid 46 and name HB2 ) 2.87 1.07 1.07 !peak 1907 #SUP 0.99 #QF 0.99 assign (resid 46 and name HN ) (resid 46 and name HB1 ) 2.88 1.08 1.08 !peak 1911 #SUP 0.92 #QF 0.92 assign (resid 47 and name HA ) (resid 47 and name HD2 ) 2.93 1.13 1.13 !peak 1920 #SUP 0.99 #QF 0.99 assign (resid 47 and name HA ) (resid 47 and name HE2 ) 3.82 2.02 2.02 !peak 1934 #SUP 1.00 assign (resid 47 and name HB2 ) (resid 47 and name HE2 ) 3.86 2.06 2.06 !peak 1936 #SUP 1.00 assign (resid 48 and name HA ) (resid 48 and name HG11 ) 2.98 1.18 1.18 !peak 1949 #SUP 1.00 assign (resid 48 and name HA ) (resid 48 and name HG12 ) 3.10 1.30 1.30 !peak 1950 #SUP 1.00 assign (resid 48 and name HA ) (resid 48 and name HD1* ) 3.64 1.84 1.84 !peak 1951 #SUP 1.00 assign (resid 48 and name HN ) (resid 48 and name HG2* ) 3.37 1.57 1.57 !peak 1959 #SUP 1.00 assign (resid 48 and name HA ) (resid 48 and name HG2* ) 2.81 1.01 1.01 !peak 1960 #SUP 1.00 assign (resid 48 and name HG2* ) (resid 48 and name HG12 ) 2.84 1.04 1.04 !peak 1964 #SUP 1.00 assign (resid 48 and name HG2* ) (resid 48 and name HD1* ) 2.79 0.99 0.99 !peak 1965 #SUP 1.00 assign (resid 48 and name HG2* ) (resid 48 and name HG11 ) 2.93 1.13 1.13 !peak 1969 #SUP 1.00 assign (resid 48 and name HN ) (resid 48 and name HG12 ) 3.36 1.56 1.56 !peak 1973 #SUP 1.00 assign (resid 49 and name HA ) (resid 49 and name HG2 ) 2.90 1.10 1.10 !peak 1992 #SUP 0.98 #QF 0.64 assign (resid 49 and name HA ) (resid 49 and name HG1 ) 2.99 1.19 1.19 !peak 1992 #SUP 0.98 #QF 0.64 assign (resid 49 and name HB2 ) (resid 49 and name HD2 ) 2.91 1.11 1.11 !peak 2049 #SUP 0.77 #QF 0.58 assign (resid 49 and name HB2 ) (resid 49 and name HD1 ) 2.91 1.11 1.11 !peak 2049 #SUP 0.77 #QF 0.58 assign (resid 50 and name HA ) (resid 50 and name HG2 ) 3.29 1.49 1.49 !peak 2082 #SUP 1.00 assign (resid 50 and name HA ) (resid 50 and name HD2 ) 3.94 2.14 2.14 !peak 2084 #SUP 1.00 assign (resid 50 and name HA ) (resid 50 and name HD1 ) 3.94 2.14 2.14 !peak 2084 #SUP 1.00 assign (resid 50 and name HB2 ) (resid 50 and name HE1 ) 3.94 2.14 2.14 !peak 2096 #SUP 0.99 #QF 0.95 assign (resid 50 and name HB1 ) (resid 50 and name HE2 ) 3.94 2.14 2.14 !peak 2106 #SUP 1.00 #QF 0.95 assign (resid 50 and name HB1 ) (resid 50 and name HE1 ) 3.94 2.14 2.14 !peak 2106 #SUP 1.00 #QF 0.95 assign (resid 49 and name HG2 ) (resid 50 and name HN ) 3.78 1.98 1.98 !peak 2117 #SUP 0.98 #QF 0.52 assign (resid 50 and name HN ) (resid 50 and name HG2 ) 4.18 2.38 2.38 !peak 2117 #SUP 0.98 #QF 0.52 assign (resid 50 and name HN ) (resid 50 and name HG1 ) 4.18 2.38 2.38 !peak 2117 #SUP 0.98 #QF 0.52 assign (resid 50 and name HA ) (resid 50 and name HG1 ) 3.29 1.49 1.49 !peak 2118 #SUP 1.00 #QF 0.94 assign (resid 57 and name HA ) (resid 57 and name HD2 ) 4.07 2.27 2.27 !peak 2249 #SUP 1.00 #QF 0.88 assign (resid 57 and name HA ) (resid 57 and name HD1 ) 4.07 2.27 2.27 !peak 2249 #SUP 1.00 #QF 0.88 assign (resid 19 and name HA ) (resid 19 and name HG2* ) 3.18 1.38 1.38 !peak 2259 #SUP 1.00 #QF 0.59 assign (resid 58 and name HA ) (resid 58 and name HG2* ) 2.83 1.03 1.03 !peak 2265 #SUP 1.00 assign (resid 60 and name HA ) (resid 60 and name HG11 ) 3.25 1.45 1.45 !peak 2285 #SUP 1.00 assign (resid 60 and name HA ) (resid 60 and name HG2* ) 2.83 1.03 1.03 !peak 2286 #SUP 0.99 #QF 0.99 assign (resid 60 and name HB ) (resid 60 and name HD1* ) 2.98 1.18 1.18 !peak 2293 #SUP 1.00 #QF 0.99 assign (resid 60 and name HG2* ) (resid 60 and name HG12 ) 3.14 1.34 1.34 !peak 2298 #SUP 1.00 assign (resid 60 and name HA ) (resid 60 and name HG12 ) 3.25 1.45 1.45 !peak 2302 #SUP 1.00 assign (resid 60 and name HG2* ) (resid 60 and name HG11 ) 3.14 1.34 1.34 !peak 2314 #SUP 1.00 #QF 0.97 assign (resid 60 and name HN ) (resid 60 and name HD1* ) 3.60 1.80 1.80 !peak 2315 #SUP 1.00 assign (resid 60 and name HA ) (resid 60 and name HD1* ) 3.51 1.71 1.71 !peak 2316 #SUP 1.00 assign (resid 61 and name HN ) (resid 61 and name HB ) 3.17 1.37 1.37 !peak 2326 #SUP 0.99 #QF 0.99 assign (resid 61 and name HN ) (resid 61 and name HG2* ) 3.50 1.70 1.70 !peak 2330 #SUP 1.00 assign (resid 61 and name HA ) (resid 61 and name HG2* ) 2.76 0.96 0.96 !peak 2331 #SUP 1.00 assign (resid 63 and name HA ) (resid 63 and name HD2 ) 3.67 1.87 1.87 !peak 2347 #SUP 1.00 assign (resid 63 and name HA ) (resid 63 and name HG2 ) 3.22 1.42 1.42 !peak 2365 #SUP 1.00 #QF 0.55 assign (resid 63 and name HA ) (resid 63 and name HG1 ) 3.22 1.42 1.42 !peak 2373 #SUP 1.00 assign (resid 63 and name HN ) (resid 63 and name HD2 ) 3.87 2.07 2.07 !peak 2388 #SUP 0.98 #QF 0.90 assign (resid 63 and name HN ) (resid 63 and name HD1 ) 3.87 2.07 2.07 !peak 2388 #SUP 0.98 #QF 0.90 assign (resid 63 and name HA ) (resid 63 and name HD1 ) 3.67 1.87 1.87 !peak 2389 #SUP 1.00 #QF 0.26 assign (resid 64 and name HA ) (resid 64 and name HG2* ) 2.57 0.77 0.77 !peak 2405 #SUP 0.86 #QF 0.86 assign (resid 66 and name HA ) (resid 66 and name HG2 ) 3.11 1.31 1.31 !peak 2493 #SUP 1.00 assign (resid 66 and name HA ) (resid 66 and name HG1 ) 3.11 1.31 1.31 !peak 2494 #SUP 1.00 assign (resid 66 and name HA ) (resid 66 and name HD2 ) 3.15 1.35 1.35 !peak 2496 #SUP 0.99 #QF 0.97 assign (resid 66 and name HA ) (resid 66 and name HD1 ) 3.15 1.35 1.35 !peak 2496 #SUP 0.99 #QF 0.97 assign (resid 66 and name HA ) (resid 66 and name HE2 ) 4.15 2.35 2.35 !peak 2498 #SUP 0.93 #QF 0.65 assign (resid 66 and name HA ) (resid 66 and name HE1 ) 4.15 2.35 2.35 !peak 2498 #SUP 0.93 #QF 0.65 assign (resid 66 and name HN ) (resid 66 and name HB2 ) 3.13 1.33 1.33 !peak 2499 #SUP 1.00 assign (resid 67 and name HA ) (resid 67 and name HG1 ) 3.15 1.35 1.35 !peak 2584 #SUP 1.00 assign (resid 67 and name HA ) (resid 67 and name HG2 ) 3.15 1.35 1.35 !peak 2598 #SUP 1.00 assign (resid 69 and name HA ) (resid 69 and name HG2 ) 3.15 1.35 1.35 !peak 2619 #SUP 0.95 #QF 0.95 assign (resid 69 and name HA ) (resid 69 and name HG1 ) 3.15 1.35 1.35 !peak 2620 #SUP 1.00 assign (resid 69 and name HN ) (resid 69 and name HB1 ) 3.07 1.27 1.27 !peak 2627 #SUP 1.00 assign (resid 70 and name HA ) (resid 70 and name HG1 ) 3.23 1.43 1.43 !peak 2649 #SUP 1.00 assign (resid 70 and name HB2 ) (resid 70 and name HD2 ) 2.90 1.10 1.10 !peak 2661 #SUP 1.00 assign (resid 70 and name HB2 ) (resid 70 and name HD1 ) 2.87 1.07 1.07 !peak 2662 #SUP 1.00 assign (resid 70 and name HB2 ) (resid 70 and name HE2 ) 4.01 2.21 2.20 !peak 2664 #SUP 1.00 #QF 0.40 assign (resid 70 and name HB2 ) (resid 70 and name HE1 ) 4.01 2.21 2.20 !peak 2664 #SUP 1.00 #QF 0.40 assign (resid 70 and name HA ) (resid 70 and name HG2 ) 3.09 1.29 1.29 !peak 2686 #SUP 1.00 assign (resid 70 and name HG2 ) (resid 70 and name HD1 ) 2.41 0.61 0.61 !peak 2692 #SUP 0.95 #QF 0.95 assign (resid 70 and name HN ) (resid 70 and name HD2 ) 3.83 2.03 2.03 !peak 2695 #SUP 1.00 assign (resid 70 and name HA ) (resid 70 and name HD2 ) 3.86 2.06 2.06 !peak 2696 #SUP 1.00 assign (resid 70 and name HB1 ) (resid 70 and name HD2 ) 2.73 0.93 0.93 !peak 2698 #SUP 0.99 #QF 0.99 assign (resid 70 and name HA ) (resid 70 and name HD1 ) 3.78 1.98 1.98 !peak 2706 #SUP 1.00 assign (resid 70 and name HB1 ) (resid 70 and name HD1 ) 2.84 1.04 1.04 !peak 2708 #SUP 1.00 assign (resid 70 and name HB1 ) (resid 70 and name HE2 ) 4.13 2.33 2.33 !peak 2728 #SUP 1.00 assign (resid 70 and name HB1 ) (resid 70 and name HE1 ) 4.13 2.33 2.33 !peak 2728 #SUP 1.00 assign (resid 71 and name HB1 ) (resid 71 and name HE2 ) 3.76 1.96 1.96 !peak 2754 #SUP 1.00 assign (resid 74 and name HA ) (resid 74 and name HG12 ) 2.81 1.01 1.01 !peak 2793 #SUP 1.00 assign (resid 74 and name HA ) (resid 74 and name HG11 ) 2.81 1.01 1.01 !peak 2794 #SUP 1.00 assign (resid 74 and name HA ) (resid 74 and name HG2* ) 2.62 0.82 0.82 !peak 2795 #SUP 0.92 #QF 0.92 assign (resid 74 and name HB ) (resid 74 and name HD1* ) 2.83 1.03 1.03 !peak 2802 #SUP 1.00 #QF 0.92 assign (resid 74 and name HN ) (resid 74 and name HG2* ) 3.20 1.40 1.40 !peak 2803 #SUP 1.00 assign (resid 74 and name HG2* ) (resid 74 and name HG12 ) 2.89 1.09 1.09 !peak 2807 #SUP 1.00 assign (resid 74 and name HG2* ) (resid 74 and name HG11 ) 2.89 1.09 1.09 !peak 2808 #SUP 0.99 #QF 0.23 assign (resid 38 and name HA ) (resid 74 and name HD1* ) 3.45 1.65 1.65 !peak 2825 #SUP 1.00 #QF 0.57 assign (resid 74 and name HA ) (resid 74 and name HD1* ) 3.64 1.84 1.84 !peak 2825 #SUP 1.00 #QF 0.57 assign (resid 75 and name HA ) (resid 75 and name HD1* ) 3.18 1.38 1.38 !peak 2836 #SUP 0.97 #QF 0.97 assign (resid 75 and name HA ) (resid 75 and name HD2* ) 3.18 1.38 1.38 !peak 2837 #SUP 1.00 assign (resid 75 and name HB2 ) (resid 75 and name HD1* ) 3.21 1.41 1.41 !peak 2843 #SUP 1.00 assign (resid 72 and name HA ) (resid 75 and name HB1 ) 3.52 1.72 1.72 !peak 2846 #SUP 1.00 #QF 0.96 assign (resid 75 and name HB1 ) (resid 75 and name HD1* ) 3.21 1.41 1.41 !peak 2850 #SUP 1.00 assign (resid 58 and name HB ) (resid 75 and name HD1* ) 2.79 0.99 0.99 !peak 2860 #SUP 0.99 #QF 0.76 assign (resid 75 and name HN ) (resid 75 and name HD2* ) 3.34 1.54 1.54 !peak 2866 #SUP 0.95 #QF 0.95 assign (resid 58 and name HB ) (resid 75 and name HD2* ) 2.79 0.99 0.99 !peak 2867 #SUP 0.92 #QF 0.75 assign (resid 75 and name HB2 ) (resid 75 and name HD2* ) 3.21 1.41 1.41 !peak 2868 #SUP 1.00 assign (resid 75 and name HB1 ) (resid 75 and name HD2* ) 3.21 1.41 1.41 !peak 2869 #SUP 1.00 assign (resid 76 and name HA ) (resid 76 and name HG11 ) 3.15 1.35 1.35 !peak 2876 #SUP 1.00 assign (resid 76 and name HA ) (resid 76 and name HG12 ) 3.15 1.35 1.35 !peak 2877 #SUP 1.00 assign (resid 76 and name HA ) (resid 76 and name HD1* ) 2.91 1.11 1.11 !peak 2879 #SUP 1.00 assign (resid 76 and name HN ) (resid 76 and name HG2* ) 3.23 1.43 1.43 !peak 2887 #SUP 1.00 assign (resid 76 and name HA ) (resid 76 and name HG2* ) 2.72 0.92 0.92 !peak 2888 #SUP 1.00 assign (resid 76 and name HG2* ) (resid 76 and name HD1* ) 2.78 0.98 0.98 !peak 2893 #SUP 1.00 assign (resid 76 and name HN ) (resid 76 and name HG12 ) 3.41 1.61 1.61 !peak 2894 #SUP 1.00 assign (resid 76 and name HN ) (resid 76 and name HG11 ) 3.41 1.61 1.61 !peak 2901 #SUP 1.00 assign (resid 76 and name HB ) (resid 76 and name HD1* ) 2.60 0.80 0.80 !peak 2912 #SUP 1.00 #QF 0.95 assign (resid 77 and name HA ) (resid 77 and name HG2 ) 2.96 1.16 1.16 !peak 2919 #SUP 0.88 #QF 0.40 assign (resid 51 and name HA ) (resid 51 and name HG2 ) 3.12 1.32 1.32 !peak 2926 #SUP 1.00 #QF 0.27 assign (resid 51 and name HA ) (resid 51 and name HG1 ) 3.12 1.32 1.32 !peak 2926 #SUP 1.00 #QF 0.27 assign (resid 77 and name HN ) (resid 77 and name HB1 ) 2.90 1.10 1.10 !peak 2935 #SUP 1.00 assign (resid 77 and name HN ) (resid 77 and name HG2 ) 3.52 1.72 1.72 !peak 2945 #SUP 1.00 assign (resid 77 and name HA ) (resid 77 and name HG1 ) 2.96 1.16 1.16 !peak 2956 #SUP 1.00 assign (resid 77 and name HA ) (resid 77 and name HD2 ) 3.87 2.07 2.07 !peak 2976 #SUP 1.00 #QF 0.60 assign (resid 77 and name HA ) (resid 77 and name HD1 ) 3.87 2.07 2.07 !peak 2976 #SUP 1.00 #QF 0.60 assign (resid 77 and name HN ) (resid 77 and name HE2 ) 4.35 2.55 2.55 !peak 2995 #SUP 1.00 assign (resid 77 and name HN ) (resid 77 and name HE1 ) 4.35 2.55 2.55 !peak 2995 #SUP 1.00 assign (resid 77 and name HB2 ) (resid 77 and name HE2 ) 3.67 1.87 1.87 !peak 2997 #SUP 1.00 assign (resid 77 and name HB2 ) (resid 77 and name HE1 ) 3.67 1.87 1.87 !peak 2997 #SUP 1.00 assign (resid 78 and name HA ) (resid 78 and name HG1* ) 2.77 0.97 0.97 !peak 3009 #SUP 1.00 assign (resid 78 and name HN ) (resid 78 and name HB ) 2.82 1.02 1.02 !peak 3010 #SUP 1.00 assign (resid 78 and name HN ) (resid 78 and name HG2* ) 2.62 0.83 0.83 !peak 3015 #SUP 0.99 #QF 0.99 assign (resid 78 and name HA ) (resid 78 and name HG2* ) 2.54 0.74 0.74 !peak 3016 #SUP 0.89 #QF 0.89 assign (resid 81 and name HA ) (resid 81 and name HG2 ) 3.04 1.24 1.24 !peak 3065 #SUP 1.00 assign (resid 81 and name HN ) (resid 81 and name HB1 ) 2.96 1.16 1.16 !peak 3073 #SUP 1.00 assign (resid 81 and name HA ) (resid 81 and name HG1 ) 3.04 1.24 1.24 !peak 3086 #SUP 1.00 assign (resid 82 and name HA ) (resid 82 and name HG ) 3.26 1.46 1.46 !peak 3095 #SUP 1.00 assign (resid 82 and name HA ) (resid 82 and name HD2* ) 2.69 0.89 0.89 !peak 3120 #SUP 0.94 #QF 0.94 assign (resid 82 and name HB1 ) (resid 82 and name HD2* ) 3.09 1.29 1.28 !peak 3122 #SUP 1.00 assign (resid 82 and name HN ) (resid 82 and name HD1* ) 3.11 1.31 1.31 !peak 3126 #SUP 0.95 #QF 0.95 assign (resid 82 and name HA ) (resid 82 and name HD1* ) 3.23 1.43 1.43 !peak 3127 #SUP 1.00 assign (resid 82 and name HB2 ) (resid 82 and name HD1* ) 3.09 1.29 1.28 !peak 3129 #SUP 1.00 assign (resid 84 and name HA ) (resid 84 and name HE2 ) 3.50 1.70 1.70 !peak 3158 #SUP 0.79 #QF 0.79 assign (resid 84 and name HN ) (resid 84 and name HD2 ) 4.35 2.55 2.55 !peak 3163 #SUP 0.87 #QF 0.87 assign (resid 87 and name HA ) (resid 87 and name HD1* ) 3.01 1.21 1.21 !peak 3174 #SUP 0.99 #QF 0.99 assign (resid 87 and name HB ) (resid 87 and name HD1* ) 2.84 1.04 1.04 !peak 3180 #SUP 1.00 assign (resid 87 and name HA ) (resid 87 and name HG2* ) 2.86 1.06 1.06 !peak 3181 #SUP 1.00 assign (resid 87 and name HG2* ) (resid 87 and name HD1* ) 2.42 0.62 0.62 !peak 3186 #SUP 0.91 #QF 0.91 assign (resid 89 and name HA ) (resid 89 and name HG1* ) 2.91 1.11 1.11 !peak 3234 #SUP 1.00 assign (resid 89 and name HA ) (resid 89 and name HG2* ) 2.91 1.11 1.11 !peak 3239 #SUP 1.00 assign (resid 90 and name HN ) (resid 90 and name HB ) 3.03 1.23 1.23 !peak 3247 #SUP 0.97 #QF 0.97 assign (resid 90 and name HA ) (resid 90 and name HG2* ) 2.93 1.13 1.13 !peak 3252 #SUP 1.00 assign (resid 95 and name HN ) (resid 95 and name HB ) 3.22 1.42 1.42 !peak 3359 #SUP 1.00 assign (resid 95 and name HN ) (resid 95 and name HG2* ) 3.49 1.69 1.69 !peak 3363 #SUP 1.00 assign (resid 95 and name HA ) (resid 95 and name HG2* ) 2.71 0.91 0.91 !peak 3364 #SUP 0.99 #QF 0.99 assign (resid 58 and name HN ) (resid 97 and name HG2* ) 3.19 1.39 1.39 !peak 3395 #SUP 1.00 #QF 0.62 assign (resid 97 and name HA ) (resid 97 and name HG2* ) 2.87 1.07 1.07 !peak 3396 #SUP 1.00 assign (resid 98 and name HA ) (resid 98 and name HG1* ) 3.03 1.23 1.23 !peak 3410 #SUP 1.00 assign (resid 76 and name HN ) (resid 98 and name HG2* ) 3.76 1.96 1.96 !peak 3414 #SUP 1.00 #QF 0.58 assign (resid 98 and name HA ) (resid 98 and name HG2* ) 3.03 1.23 1.23 !peak 3415 #SUP 1.00 assign (resid 102 and name HA ) (resid 102 and name HD1* ) 4.22 2.42 2.42 !peak 3448 #SUP 1.00 assign (resid 102 and name HA ) (resid 102 and name HD2* ) 4.22 2.42 2.42 !peak 3449 #SUP 1.00 assign (resid 105 and name HA ) (resid 105 and name HG1* ) 2.89 1.09 1.09 !peak 3519 #SUP 1.00 assign (resid 105 and name HA ) (resid 105 and name HG2* ) 2.89 1.09 1.09 !peak 3520 #SUP 1.00 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.55 1.75 1.75 !peak 3558 #SUP 1.00 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 3.55 1.75 1.75 !peak 3559 #SUP 1.00 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.78 1.98 1.97 !peak 3568 #SUP 1.00 assign (resid 30 and name HB ) (resid 31 and name HN ) 3.32 1.52 1.51 !peak 3584 #SUP 1.00 assign (resid 60 and name HN ) (resid 95 and name HG2* ) 2.85 1.05 1.05 !peak 3585 #SUP 0.99 #QF 0.97 assign (resid 32 and name HA ) (resid 33 and name HN ) 2.92 1.12 1.12 !peak 3590 #SUP 1.00 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 3.04 1.24 1.24 !peak 3613 #SUP 0.90 #QF 0.90 assign (resid 39 and name HG1 ) (resid 40 and name HN ) 3.99 2.19 2.19 !peak 3616 #SUP 1.00 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 3.58 1.78 1.78 !peak 3627 #SUP 1.00 assign (resid 41 and name HD2* ) (resid 42 and name HN ) 3.86 2.06 2.06 !peak 3630 #SUP 1.00 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 3.24 1.44 1.44 !peak 3633 #SUP 1.00 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 3.27 1.47 1.47 !peak 3647 #SUP 1.00 assign (resid 45 and name HG1 ) (resid 46 and name HN ) 3.88 2.08 2.08 !peak 3649 #SUP 1.00 assign (resid 45 and name HE2 ) (resid 46 and name HN ) 3.90 2.10 2.10 !peak 3652 #SUP 1.00 assign (resid 45 and name HE1 ) (resid 46 and name HN ) 3.90 2.10 2.10 !peak 3653 #SUP 1.00 assign (resid 48 and name HG12 ) (resid 49 and name HN ) 3.87 2.07 2.07 !peak 3666 #SUP 1.00 assign (resid 57 and name HB2 ) (resid 58 and name HN ) 3.61 1.81 1.81 !peak 3687 #SUP 1.00 assign (resid 57 and name HB1 ) (resid 58 and name HN ) 3.61 1.81 1.81 !peak 3688 #SUP 1.00 assign (resid 57 and name HD2 ) (resid 58 and name HN ) 4.35 2.55 2.55 !peak 3692 #SUP 0.99 #QF 0.89 assign (resid 57 and name HD1 ) (resid 58 and name HN ) 4.35 2.55 2.55 !peak 3692 #SUP 0.99 #QF 0.89 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 3.39 1.59 1.59 !peak 3697 #SUP 1.00 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 3.39 1.59 1.59 !peak 3698 #SUP 1.00 assign (resid 60 and name HA ) (resid 61 and name HN ) 2.89 1.09 1.09 !peak 3699 #SUP 0.99 #QF 0.99 assign (resid 60 and name HG2* ) (resid 61 and name HN ) 3.21 1.41 1.41 !peak 3701 #SUP 1.00 assign (resid 63 and name HG2 ) (resid 64 and name HN ) 3.79 1.99 1.99 !peak 3713 #SUP 1.00 assign (resid 63 and name HD2 ) (resid 64 and name HN ) 4.35 2.55 2.55 !peak 3716 #SUP 0.95 #QF 0.65 assign (resid 63 and name HD1 ) (resid 64 and name HN ) 4.35 2.55 2.55 !peak 3716 #SUP 0.95 #QF 0.65 assign (resid 65 and name HG1 ) (resid 66 and name HN ) 3.86 2.06 2.06 !peak 3720 #SUP 0.88 #QF 0.44 assign (resid 66 and name HN ) (resid 66 and name HG2 ) 3.69 1.89 1.89 !peak 3720 #SUP 0.88 #QF 0.44 assign (resid 65 and name HD2 ) (resid 66 and name HN ) 4.35 2.55 2.55 !peak 3723 #SUP 0.95 #QF 0.75 assign (resid 65 and name HD1 ) (resid 66 and name HN ) 4.35 2.55 2.55 !peak 3723 #SUP 0.95 #QF 0.75 assign (resid 66 and name HD2 ) (resid 67 and name HN ) 4.35 2.55 2.55 !peak 3732 #SUP 0.95 #QF 0.80 assign (resid 66 and name HD1 ) (resid 67 and name HN ) 4.35 2.55 2.55 !peak 3732 #SUP 0.95 #QF 0.80 assign (resid 69 and name HB1 ) (resid 70 and name HN ) 3.26 1.46 1.46 !peak 3744 #SUP 1.00 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 3.41 1.61 1.61 !peak 3748 #SUP 1.00 assign (resid 70 and name HD1 ) (resid 71 and name HN ) 4.05 2.25 2.25 !peak 3753 #SUP 1.00 assign (resid 70 and name HE2 ) (resid 71 and name HN ) 4.35 2.55 2.55 !peak 3755 #SUP 0.95 #QF 0.50 assign (resid 70 and name HE1 ) (resid 71 and name HN ) 4.35 2.55 2.55 !peak 3755 #SUP 0.95 #QF 0.50 assign (resid 71 and name HA ) (resid 72 and name HN ) 2.94 1.14 1.14 !peak 3756 #SUP 0.99 #QF 0.99 assign (resid 74 and name HG12 ) (resid 75 and name HN ) 3.87 2.07 2.07 !peak 3769 #SUP 1.00 assign (resid 74 and name HG11 ) (resid 75 and name HN ) 3.87 2.07 2.07 !peak 3770 #SUP 1.00 assign (resid 74 and name HD1* ) (resid 75 and name HN ) 3.69 1.89 1.89 !peak 3771 #SUP 1.00 assign (resid 76 and name HD1* ) (resid 77 and name HN ) 3.52 1.72 1.72 !peak 3783 #SUP 1.00 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 3.06 1.26 1.26 !peak 3786 #SUP 1.00 assign (resid 77 and name HG2 ) (resid 78 and name HN ) 4.02 2.22 2.22 !peak 3787 #SUP 1.00 assign (resid 78 and name HG2* ) (resid 79 and name HN ) 3.22 1.42 1.42 !peak 3795 #SUP 1.00 assign (resid 81 and name HB2 ) (resid 82 and name HN ) 2.98 1.18 1.18 !peak 3805 #SUP 0.99 #QF 0.99 assign (resid 81 and name HB1 ) (resid 82 and name HN ) 3.26 1.46 1.46 !peak 3806 #SUP 1.00 assign (resid 81 and name HG2 ) (resid 82 and name HN ) 3.99 2.19 2.19 !peak 3807 #SUP 1.00 assign (resid 94 and name HB2 ) (resid 95 and name HN ) 3.68 1.88 1.88 !peak 3841 #SUP 1.00 assign (resid 95 and name HA ) (resid 96 and name HN ) 2.86 1.06 1.06 !peak 3843 #SUP 0.98 #QF 0.98 assign (resid 95 and name HB ) (resid 96 and name HN ) 3.27 1.47 1.47 !peak 3844 #SUP 1.00 assign (resid 95 and name HG2* ) (resid 96 and name HN ) 3.06 1.26 1.26 !peak 3845 #SUP 0.98 #QF 0.98 assign (resid 96 and name HB ) (resid 97 and name HN ) 4.35 2.55 2.55 !peak 3847 #SUP 1.00 #QF 0.96 assign (resid 97 and name HB ) (resid 98 and name HN ) 3.49 1.69 1.69 !peak 3851 #SUP 1.00 assign (resid 102 and name HB2 ) (resid 103 and name HN ) 4.35 2.55 2.55 !peak 3855 #SUP 1.00 assign (resid 102 and name HB1 ) (resid 103 and name HN ) 4.35 2.55 2.55 !peak 3855 #SUP 1.00 assign (resid 102 and name HG ) (resid 103 and name HN ) 4.29 2.49 2.49 !peak 3856 #SUP 0.67 #QF 0.67 assign (resid 102 and name HD1* ) (resid 103 and name HN ) 4.35 2.55 2.55 !peak 3857 #SUP 1.00 assign (resid 34 and name HA ) (resid 37 and name HN ) 3.33 1.53 1.53 !peak 3871 #SUP 0.97 #QF 0.97 assign (resid 34 and name HA ) (resid 37 and name HB1 ) 3.37 1.57 1.57 !peak 3874 #SUP 1.00 assign (resid 37 and name HA ) (resid 40 and name HN ) 3.17 1.37 1.37 !peak 3892 #SUP 0.99 #QF 0.94 assign (resid 37 and name HA ) (resid 41 and name HN ) 3.39 1.59 1.59 !peak 3895 #SUP 0.98 #QF 0.98 assign (resid 38 and name HA ) (resid 42 and name HN ) 4.10 2.30 2.30 !peak 3896 #SUP 0.99 #QF 0.95 assign (resid 38 and name HA ) (resid 41 and name HB2 ) 3.14 1.34 1.34 !peak 3898 #SUP 1.00 assign (resid 38 and name HA ) (resid 41 and name HB1 ) 3.69 1.89 1.89 !peak 3901 #SUP 1.00 assign (resid 39 and name HA ) (resid 41 and name HN ) 3.75 1.95 1.95 !peak 3903 #SUP 1.00 assign (resid 41 and name HA ) (resid 44 and name HN ) 3.25 1.45 1.45 !peak 3918 #SUP 0.97 #QF 0.97 assign (resid 41 and name HA ) (resid 44 and name HB2 ) 3.02 1.22 1.22 !peak 3919 #SUP 0.96 #QF 0.96 assign (resid 41 and name HA ) (resid 44 and name HB1 ) 3.02 1.22 1.22 !peak 3921 #SUP 0.89 #QF 0.89 assign (resid 41 and name HA ) (resid 45 and name HN ) 3.25 1.45 1.45 !peak 3923 #SUP 0.99 #QF 0.99 assign (resid 42 and name HA ) (resid 44 and name HN ) 3.52 1.72 1.72 !peak 3924 #SUP 0.94 #QF 0.94 assign (resid 42 and name HA ) (resid 45 and name HB2 ) 3.45 1.65 1.65 !peak 3927 #SUP 1.00 assign (resid 42 and name HA ) (resid 45 and name HB1 ) 3.03 1.23 1.23 !peak 3929 #SUP 0.99 #QF 0.99 assign (resid 43 and name HA ) (resid 45 and name HN ) 3.97 2.17 2.17 !peak 3931 #SUP 1.00 assign (resid 43 and name HA ) (resid 46 and name HN ) 3.56 1.76 1.76 !peak 3932 #SUP 0.97 #QF 0.97 assign (resid 43 and name HA ) (resid 46 and name HB2 ) 3.15 1.35 1.35 !peak 3934 #SUP 0.99 #QF 0.99 assign (resid 43 and name HA ) (resid 46 and name HB1 ) 3.68 1.88 1.88 !peak 3936 #SUP 1.00 assign (resid 43 and name HA ) (resid 47 and name HN ) 3.73 1.93 1.93 !peak 3937 #SUP 0.98 #QF 0.98 assign (resid 44 and name HA ) (resid 47 and name HB2 ) 3.14 1.34 1.34 !peak 3942 #SUP 0.97 #QF 0.90 assign (resid 44 and name HA ) (resid 48 and name HN ) 3.65 1.85 1.85 !peak 3944 #SUP 0.99 #QF 0.99 assign (resid 45 and name HA ) (resid 48 and name HN ) 3.59 1.79 1.79 !peak 3946 #SUP 0.98 #QF 0.98 assign (resid 45 and name HA ) (resid 48 and name HB ) 3.01 1.21 1.21 !peak 3947 #SUP 0.97 #QF 0.97 assign (resid 45 and name HA ) (resid 49 and name HN ) 3.48 1.68 1.68 !peak 3949 #SUP 0.90 #QF 0.90 assign (resid 46 and name HA ) (resid 49 and name HN ) 3.14 1.34 1.34 !peak 3951 #SUP 0.99 #QF 0.99 assign (resid 46 and name HA ) (resid 49 and name HB1 ) 2.92 1.12 1.12 !peak 3954 #SUP 0.96 #QF 0.92 assign (resid 46 and name HA ) (resid 49 and name HB2 ) 3.14 1.34 1.34 !peak 3954 #SUP 0.96 #QF 0.92 assign (resid 47 and name HA ) (resid 50 and name HB2 ) 3.18 1.38 1.38 !peak 3959 #SUP 0.99 #QF 0.99 assign (resid 47 and name HA ) (resid 50 and name HB1 ) 3.18 1.38 1.38 !peak 3961 #SUP 0.99 #QF 0.99 assign (resid 48 and name HA ) (resid 50 and name HN ) 3.47 1.67 1.67 !peak 3963 #SUP 0.97 #QF 0.97 assign (resid 67 and name HA ) (resid 70 and name HB2 ) 3.84 2.04 2.04 !peak 3979 #SUP 1.00 assign (resid 67 and name HA ) (resid 70 and name HB1 ) 3.24 1.44 1.44 !peak 3980 #SUP 1.00 assign (resid 67 and name HA ) (resid 71 and name HN ) 3.61 1.81 1.81 !peak 3982 #SUP 1.00 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.35 2.55 2.55 !peak 3983 #SUP 1.00 assign (resid 68 and name HA ) (resid 71 and name HB2 ) 3.52 1.72 1.72 !peak 3987 #SUP 1.00 #QF 0.98 assign (resid 69 and name HA ) (resid 72 and name HB* ) 2.85 1.05 1.05 !peak 3993 #SUP 0.98 #QF 0.98 assign (resid 70 and name HA ) (resid 73 and name HB* ) 2.81 1.01 1.01 !peak 3997 #SUP 0.99 #QF 0.99 assign (resid 71 and name HA ) (resid 71 and name HE2 ) 3.99 2.19 2.19 !peak 4001 #SUP 1.00 #QF 0.98 assign (resid 71 and name HA ) (resid 74 and name HB ) 3.17 1.37 1.37 !peak 4003 #SUP 1.00 assign (resid 72 and name HA ) (resid 75 and name HB2 ) 3.52 1.72 1.72 !peak 4007 #SUP 1.00 assign (resid 72 and name HA ) (resid 76 and name HN ) 3.48 1.68 1.68 !peak 4011 #SUP 1.00 assign (resid 73 and name HA ) (resid 76 and name HB ) 2.91 1.11 1.11 !peak 4014 #SUP 0.99 #QF 0.99 assign (resid 74 and name HA ) (resid 77 and name HB2 ) 2.81 1.01 1.01 !peak 4019 #SUP 0.99 #QF 0.99 assign (resid 74 and name HA ) (resid 77 and name HB1 ) 3.49 1.69 1.69 !peak 4022 #SUP 0.95 #QF 0.95 assign (resid 74 and name HA ) (resid 78 and name HN ) 3.90 2.10 2.10 !peak 4023 #SUP 1.00 assign (resid 75 and name HA ) (resid 78 and name HB ) 2.96 1.16 1.16 !peak 4027 #SUP 0.90 #QF 0.90 assign (resid 76 and name HA ) (resid 79 and name HB2 ) 3.41 1.61 1.61 !peak 4031 #SUP 1.00 assign (resid 76 and name HA ) (resid 79 and name HB1 ) 3.71 1.91 1.91 !peak 4033 #SUP 1.00 assign (resid 77 and name HA ) (resid 79 and name HN ) 3.72 1.92 1.92 !peak 4036 #SUP 0.95 #QF 0.95 assign (resid 77 and name HA ) (resid 80 and name HB* ) 2.68 0.88 0.88 !peak 4039 #SUP 0.95 #QF 0.95 assign (resid 78 and name HA ) (resid 80 and name HN ) 3.71 1.91 1.91 !peak 4041 #SUP 0.99 #QF 0.99 assign (resid 78 and name HA ) (resid 81 and name HN ) 3.28 1.48 1.48 !peak 4042 #SUP 1.00 assign (resid 78 and name HA ) (resid 81 and name HB2 ) 3.16 1.36 1.36 !peak 4043 #SUP 1.00 assign (resid 78 and name HA ) (resid 81 and name HB1 ) 3.71 1.91 1.91 !peak 4046 #SUP 0.95 #QF 0.95 assign (resid 12 and name HA ) (resid 31 and name HN ) 4.02 2.22 2.22 !peak 4052 #SUP 0.97 #QF 0.97 assign (resid 12 and name HD1* ) (resid 31 and name HN ) 4.02 2.22 2.22 !peak 4055 #SUP 0.96 #QF 0.96 assign (resid 12 and name HD1* ) (resid 37 and name HN ) 3.82 2.02 2.02 !peak 4056 #SUP 0.93 #QF 0.93 assign (resid 12 and name HD1* ) (resid 33 and name HN ) 3.41 1.61 1.61 !peak 4057 #SUP 0.84 #QF 0.84 assign (resid 12 and name HD1* ) (resid 71 and name HE2 ) 3.19 1.39 1.39 !peak 4058 #SUP 0.98 #QF 0.98 assign (resid 12 and name HG12 ) (resid 71 and name HE2 ) 3.96 2.16 2.16 !peak 4061 #SUP 0.98 #QF 0.98 assign (resid 12 and name HG2* ) (resid 61 and name HN ) 3.40 1.60 1.60 !peak 4062 #SUP 0.74 #QF 0.74 assign (resid 12 and name HG2* ) (resid 71 and name HE2 ) 3.28 1.48 1.48 !peak 4063 #SUP 0.98 #QF 0.98 assign (resid 12 and name HG2* ) (resid 71 and name HD2 ) 3.67 1.87 1.87 !peak 4064 #SUP 0.93 #QF 0.93 assign (resid 12 and name HG2* ) (resid 71 and name HZ ) 3.66 1.86 1.86 !peak 4065 #SUP 0.99 #QF 0.99 assign (resid 12 and name HG2* ) (resid 32 and name HA ) 4.09 2.29 2.29 !peak 4067 #SUP 0.84 #QF 0.84 assign (resid 11 and name HA ) (resid 12 and name HG11 ) 3.45 1.65 1.65 !peak 4068 #SUP 0.84 #QF 0.84 assign (resid 12 and name HD1* ) (resid 32 and name HA ) 3.45 1.65 1.65 !peak 4069 #SUP 0.94 #QF 0.94 assign (resid 12 and name HG12 ) (resid 32 and name HA ) 3.93 2.13 2.13 !peak 4071 #SUP 0.59 #QF 0.59 assign (resid 12 and name HD1* ) (resid 61 and name HB ) 3.84 2.04 2.04 !peak 4072 #SUP 1.00 assign (resid 12 and name HD1* ) (resid 37 and name HB1 ) 4.27 2.47 2.47 !peak 4077 #SUP 0.97 #QF 0.82 assign (resid 12 and name HD1* ) (resid 37 and name HG ) 4.35 2.55 2.55 !peak 4077 #SUP 0.97 #QF 0.82 assign (resid 12 and name HA ) (resid 61 and name HG2* ) 3.42 1.62 1.62 !peak 4079 #SUP 0.73 #QF 0.73 assign (resid 13 and name HB2 ) (resid 30 and name HG2* ) 3.68 1.88 1.88 !peak 4082 #SUP 0.98 #QF 0.98 assign (resid 14 and name HB ) (resid 29 and name HB2 ) 3.60 1.80 1.80 !peak 4094 #SUP 0.94 #QF 0.94 assign (resid 14 and name HG1* ) (resid 41 and name HA ) 3.89 2.09 2.09 !peak 4102 #SUP 0.23 #QF 0.23 assign (resid 13 and name HA ) (resid 14 and name HG2* ) 3.26 1.46 1.46 !peak 4107 #SUP 0.96 #QF 0.96 assign (resid 14 and name HG1* ) (resid 15 and name HA ) 3.50 1.70 1.70 !peak 4122 #SUP 0.98 #QF 0.98 assign (resid 12 and name HD1* ) (resid 33 and name HA ) 3.57 1.77 1.77 !peak 4128 #SUP 0.52 #QF 0.52 assign (resid 16 and name HA ) (resid 58 and name HA ) 2.94 1.14 1.14 !peak 4129 #SUP 0.99 #QF 0.99 assign (resid 16 and name HA ) (resid 58 and name HG2* ) 3.30 1.50 1.50 !peak 4134 #SUP 1.00 assign (resid 16 and name HA ) (resid 44 and name HD1* ) 4.28 2.48 2.48 !peak 4135 #SUP 0.97 #QF 0.58 assign (resid 16 and name HA ) (resid 44 and name HD2* ) 4.28 2.48 2.48 !peak 4135 #SUP 0.97 #QF 0.58 assign (resid 16 and name HB2 ) (resid 44 and name HD2* ) 3.92 2.12 2.12 !peak 4137 #SUP 0.96 #QF 0.35 assign (resid 16 and name HB1 ) (resid 44 and name HD2* ) 3.92 2.12 2.12 !peak 4139 #SUP 1.00 #QF 0.21 assign (resid 14 and name HG2* ) (resid 28 and name HA ) 4.29 2.49 2.49 !peak 4156 #SUP 0.98 #QF 0.94 assign (resid 14 and name HB ) (resid 28 and name HA ) 3.45 1.65 1.65 !peak 4157 #SUP 0.94 #QF 0.94 assign (resid 15 and name HA ) (resid 28 and name HA ) 3.00 1.20 1.20 !peak 4160 #SUP 1.00 assign (resid 28 and name HA ) (resid 29 and name HD2 ) 3.70 1.90 1.90 !peak 4161 #SUP 0.96 #QF 0.96 assign (resid 16 and name HN ) (resid 28 and name HA ) 3.41 1.61 1.61 !peak 4164 #SUP 0.87 #QF 0.87 assign (resid 14 and name HG2* ) (resid 29 and name HB2 ) 3.72 1.92 1.92 !peak 4169 #SUP 0.96 #QF 0.84 assign (resid 14 and name HB ) (resid 29 and name HB1 ) 3.60 1.80 1.80 !peak 4170 #SUP 0.73 #QF 0.73 assign (resid 12 and name HN ) (resid 31 and name HB ) 4.09 2.29 2.29 !peak 4186 #SUP 0.98 #QF 0.98 assign (resid 31 and name HG1* ) (resid 40 and name HN ) 3.54 1.74 1.74 !peak 4189 #SUP 0.99 #QF 0.99 assign (resid 29 and name HD2 ) (resid 31 and name HG1* ) 3.82 2.02 2.02 !peak 4191 #SUP 0.74 #QF 0.74 assign (resid 12 and name HN ) (resid 31 and name HG2* ) 3.36 1.56 1.56 !peak 4192 #SUP 0.97 #QF 0.97 assign (resid 31 and name HG2* ) (resid 33 and name HN ) 3.40 1.60 1.60 !peak 4194 #SUP 1.00 assign (resid 29 and name HD2 ) (resid 31 and name HG2* ) 4.17 2.37 2.37 !peak 4195 #SUP 0.86 #QF 0.86 assign (resid 31 and name HB ) (resid 37 and name HN ) 3.83 2.03 2.03 !peak 4196 #SUP 0.92 #QF 0.92 assign (resid 12 and name HB ) (resid 31 and name HB ) 3.56 1.76 1.76 !peak 4198 #SUP 0.83 #QF 0.83 assign (resid 31 and name HG1* ) (resid 36 and name HB1 ) 2.95 1.15 1.15 !peak 4199 #SUP 1.00 assign (resid 31 and name HG1* ) (resid 37 and name HA ) 2.92 1.12 1.12 !peak 4201 #SUP 0.99 #QF 0.99 assign (resid 31 and name HG2* ) (resid 37 and name HA ) 2.93 1.13 1.13 !peak 4202 #SUP 0.99 #QF 0.99 assign (resid 31 and name HG2* ) (resid 37 and name HB2 ) 3.10 1.30 1.30 !peak 4205 #SUP 0.76 #QF 0.76 assign (resid 31 and name HG2* ) (resid 36 and name HB2 ) 3.29 1.49 1.49 !peak 4206 #SUP 1.00 assign (resid 31 and name HG1* ) (resid 36 and name HB2 ) 3.15 1.35 1.35 !peak 4207 #SUP 1.00 assign (resid 31 and name HB ) (resid 36 and name HB2 ) 2.98 1.18 1.18 !peak 4208 #SUP 0.82 #QF 0.82 assign (resid 31 and name HB ) (resid 36 and name HB1 ) 3.02 1.22 1.22 !peak 4209 #SUP 1.00 assign (resid 30 and name HG2* ) (resid 31 and name HG2* ) 3.59 1.79 1.79 !peak 4210 #SUP 0.96 #QF 0.96 assign (resid 12 and name HG12 ) (resid 31 and name HG2* ) 3.53 1.73 1.73 !peak 4211 #SUP 0.93 #QF 0.93 assign (resid 30 and name HA ) (resid 31 and name HG2* ) 3.35 1.55 1.55 !peak 4212 #SUP 0.99 #QF 0.99 assign (resid 31 and name HG1* ) (resid 40 and name HG1* ) 3.12 1.32 1.32 !peak 4214 #SUP 0.98 #QF 0.98 assign (resid 12 and name HD1* ) (resid 32 and name HB ) 4.35 2.55 2.55 !peak 4217 #SUP 0.99 #QF 0.44 assign (resid 31 and name HG2* ) (resid 32 and name HB ) 4.35 2.55 2.55 !peak 4217 #SUP 0.99 #QF 0.44 assign (resid 12 and name HD1* ) (resid 32 and name HG2* ) 4.19 2.39 2.39 !peak 4218 #SUP 1.00 #QF 0.75 assign (resid 31 and name HG2* ) (resid 32 and name HG2* ) 4.35 2.55 2.55 !peak 4218 #SUP 1.00 #QF 0.75 assign (resid 31 and name HA ) (resid 32 and name HB ) 3.61 1.81 1.81 !peak 4219 #SUP 0.89 #QF 0.89 assign (resid 33 and name HN ) (resid 36 and name HB1 ) 3.41 1.61 1.61 !peak 4235 #SUP 1.00 assign (resid 32 and name HG2* ) (resid 36 and name HB2 ) 3.78 1.98 1.98 !peak 4239 #SUP 0.97 #QF 0.97 assign (resid 31 and name HG2* ) (resid 36 and name HB1 ) 3.55 1.75 1.74 !peak 4243 #SUP 0.99 #QF 0.99 assign (resid 31 and name HG1* ) (resid 36 and name HG2 ) 3.63 1.83 1.83 !peak 4244 #SUP 0.99 #QF 0.99 assign (resid 12 and name HD1* ) (resid 34 and name HG2 ) 3.42 1.62 1.62 !peak 4245 #SUP 0.62 #QF 0.62 assign (resid 31 and name HG1* ) (resid 36 and name HG1 ) 3.63 1.83 1.83 !peak 4246 #SUP 0.97 #QF 0.97 assign (resid 12 and name HD1* ) (resid 34 and name HG1 ) 3.42 1.62 1.62 !peak 4247 #SUP 0.25 #QF 0.25 assign (resid 37 and name HD2* ) (resid 71 and name HE2 ) 3.92 2.12 2.12 !peak 4250 #SUP 0.80 #QF 0.80 assign (resid 37 and name HD2* ) (resid 71 and name HD2 ) 3.65 1.85 1.85 !peak 4252 #SUP 0.95 #QF 0.95 assign (resid 37 and name HB1 ) (resid 38 and name HB2 ) 4.35 2.55 2.55 !peak 4263 #SUP 0.98 #QF 0.76 assign (resid 37 and name HB1 ) (resid 38 and name HB1 ) 4.35 2.55 2.55 !peak 4263 #SUP 0.98 #QF 0.76 assign (resid 74 and name HG2* ) (resid 77 and name HB2 ) 3.32 1.52 1.52 !peak 4270 #SUP 0.83 #QF 0.83 assign (resid 45 and name HD2 ) (resid 82 and name HD1* ) 4.25 2.45 2.45 !peak 4273 #SUP 0.68 #QF 0.29 assign (resid 45 and name HD1 ) (resid 82 and name HD1* ) 4.35 2.55 2.55 !peak 4273 #SUP 0.68 #QF 0.29 assign (resid 78 and name HG1* ) (resid 82 and name HG ) 3.57 1.77 1.77 !peak 4296 #SUP 1.00 assign (resid 16 and name HB1 ) (resid 44 and name HD1* ) 3.92 2.12 2.12 !peak 4299 #SUP 0.94 #QF 0.63 assign (resid 16 and name HB2 ) (resid 44 and name HD1* ) 3.92 2.12 2.12 !peak 4300 #SUP 0.89 #QF 0.48 assign (resid 45 and name HA ) (resid 82 and name HD1* ) 2.93 1.13 1.13 !peak 4303 #SUP 0.97 #QF 0.97 assign (resid 45 and name HA ) (resid 78 and name HG1* ) 3.04 1.24 1.24 !peak 4304 #SUP 1.00 assign (resid 45 and name HB2 ) (resid 82 and name HD1* ) 3.42 1.62 1.62 !peak 4305 #SUP 1.00 assign (resid 45 and name HB2 ) (resid 78 and name HG1* ) 3.37 1.57 1.57 !peak 4306 #SUP 1.00 assign (resid 45 and name HB1 ) (resid 82 and name HD1* ) 3.83 2.03 2.03 !peak 4307 #SUP 1.00 assign (resid 45 and name HG2 ) (resid 78 and name HG1* ) 3.23 1.43 1.43 !peak 4310 #SUP 0.92 #QF 0.92 assign (resid 45 and name HG1 ) (resid 78 and name HG1* ) 3.30 1.50 1.50 !peak 4313 #SUP 0.98 #QF 0.98 assign (resid 45 and name HB1 ) (resid 82 and name HD2* ) 3.64 1.84 1.84 !peak 4318 #SUP 0.81 #QF 0.81 assign (resid 45 and name HB2 ) (resid 82 and name HD2* ) 3.46 1.66 1.66 !peak 4319 #SUP 0.81 #QF 0.81 assign (resid 45 and name HG1 ) (resid 46 and name HA ) 3.95 2.15 2.15 !peak 4321 #SUP 0.76 #QF 0.76 assign (resid 42 and name HA ) (resid 45 and name HD1 ) 3.75 1.95 1.95 !peak 4322 #SUP 0.89 #QF 0.89 assign (resid 46 and name HB1 ) (resid 47 and name HB2 ) 3.99 2.19 2.19 !peak 4325 #SUP 0.94 #QF 0.94 assign (resid 48 and name HG2* ) (resid 82 and name HD1* ) 2.78 0.98 0.98 !peak 4334 #SUP 0.84 #QF 0.84 assign (resid 47 and name HB1 ) (resid 48 and name HG2* ) 4.10 2.30 2.30 !peak 4336 #SUP 0.75 #QF 0.75 assign (resid 47 and name HB2 ) (resid 48 and name HG12 ) 4.11 2.31 2.31 !peak 4337 #SUP 0.93 #QF 0.63 assign (resid 47 and name HB1 ) (resid 48 and name HG12 ) 4.26 2.46 2.46 !peak 4337 #SUP 0.93 #QF 0.63 assign (resid 45 and name HA ) (resid 48 and name HD1* ) 3.67 1.87 1.87 !peak 4338 #SUP 0.91 #QF 0.91 assign (resid 45 and name HA ) (resid 48 and name HG2* ) 3.84 2.04 2.04 !peak 4339 #SUP 1.00 assign (resid 48 and name HG2* ) (resid 50 and name HN ) 3.74 1.94 1.94 !peak 4342 #SUP 1.00 assign (resid 27 and name HD* ) (resid 48 and name HG2* ) 4.28 2.48 2.48 !peak 4343 #SUP 1.00 #QF 0.48 assign (resid 27 and name HE* ) (resid 48 and name HG2* ) 3.25 1.45 1.45 !peak 4344 #SUP 0.95 #QF 0.95 assign (resid 48 and name HG2* ) (resid 49 and name HA ) 3.19 1.39 1.39 !peak 4346 #SUP 1.00 #QF 0.98 assign (resid 49 and name HD2 ) (resid 82 and name HD2* ) 3.46 1.66 1.66 !peak 4349 #SUP 1.00 #QF 0.88 assign (resid 57 and name HB2 ) (resid 97 and name HG2* ) 3.51 1.71 1.71 !peak 4358 #SUP 0.89 #QF 0.89 assign (resid 60 and name HA ) (resid 95 and name HG2* ) 3.14 1.34 1.34 !peak 4370 #SUP 0.52 #QF 0.52 assign (resid 14 and name HG1* ) (resid 58 and name HA ) 4.28 2.48 2.48 !peak 4372 #SUP 1.00 #QF 0.92 assign (resid 58 and name HG2* ) (resid 60 and name HG12 ) 3.06 1.26 1.26 !peak 4378 #SUP 0.93 #QF 0.93 assign (resid 62 and name HB* ) (resid 95 and name HG2* ) 3.22 1.42 1.42 !peak 4379 #SUP 0.61 #QF 0.61 assign (resid 14 and name HG1* ) (resid 58 and name HG2* ) 2.57 0.77 0.77 !peak 4381 #SUP 0.79 #QF 0.22 assign (resid 58 and name HG2* ) (resid 75 and name HD1* ) 3.01 1.21 1.21 !peak 4381 #SUP 0.79 #QF 0.22 assign (resid 59 and name HA ) (resid 97 and name HA ) 2.82 1.02 1.02 !peak 4390 #SUP 0.99 #QF 0.99 assign (resid 58 and name HG2* ) (resid 59 and name HA ) 3.54 1.74 1.74 !peak 4402 #SUP 0.98 #QF 0.76 assign (resid 59 and name HA ) (resid 95 and name HG2* ) 3.82 2.02 2.02 !peak 4402 #SUP 0.98 #QF 0.76 assign (resid 59 and name HA ) (resid 98 and name HN ) 3.30 1.50 1.50 !peak 4406 #SUP 0.99 #QF 0.99 assign (resid 60 and name HD1* ) (resid 71 and name HD2 ) 3.44 1.64 1.64 !peak 4411 #SUP 0.98 #QF 0.98 assign (resid 60 and name HG2* ) (resid 71 and name HE2 ) 3.55 1.75 1.74 !peak 4412 #SUP 0.96 #QF 0.96 assign (resid 14 and name HA ) (resid 60 and name HD1* ) 4.15 2.35 2.35 !peak 4414 #SUP 0.89 #QF 0.89 assign (resid 60 and name HD1* ) (resid 75 and name HA ) 4.16 2.36 2.36 !peak 4415 #SUP 1.00 #QF 0.99 assign (resid 14 and name HA ) (resid 60 and name HG11 ) 3.48 1.68 1.68 !peak 4416 #SUP 0.99 #QF 0.99 assign (resid 14 and name HA ) (resid 60 and name HG2* ) 3.27 1.47 1.47 !peak 4417 #SUP 0.99 #QF 0.99 assign (resid 60 and name HG2* ) (resid 62 and name HA ) 3.52 1.72 1.72 !peak 4418 #SUP 0.92 #QF 0.92 assign (resid 60 and name HG2* ) (resid 61 and name HB ) 3.63 1.83 1.83 !peak 4419 #SUP 0.75 #QF 0.75 assign (resid 14 and name HA ) (resid 60 and name HA ) 3.05 1.25 1.25 !peak 4420 #SUP 1.00 assign (resid 59 and name HA ) (resid 60 and name HB ) 3.79 1.99 1.99 !peak 4423 #SUP 0.97 #QF 0.97 assign (resid 60 and name HD1* ) (resid 75 and name HG ) 3.33 1.53 1.53 !peak 4426 #SUP 0.89 #QF 0.89 assign (resid 60 and name HD1* ) (resid 71 and name HB1 ) 3.04 1.24 1.24 !peak 4427 #SUP 0.90 #QF 0.90 assign (resid 60 and name HB ) (resid 75 and name HD1* ) 3.95 2.15 2.15 !peak 4430 #SUP 0.81 #QF 0.30 assign (resid 58 and name HG2* ) (resid 60 and name HG11 ) 3.06 1.26 1.26 !peak 4436 #SUP 0.75 #QF 0.75 assign (resid 14 and name HG2* ) (resid 60 and name HG2* ) 2.84 1.04 1.04 !peak 4439 #SUP 0.91 #QF 0.91 assign (resid 61 and name HG2* ) (resid 95 and name HG2* ) 3.14 1.34 1.34 !peak 4446 #SUP 0.88 #QF 0.88 assign (resid 12 and name HG2* ) (resid 61 and name HG2* ) 3.23 1.43 1.43 !peak 4447 #SUP 0.92 #QF 0.92 assign (resid 13 and name HB1 ) (resid 61 and name HB ) 3.79 1.99 1.99 !peak 4448 #SUP 0.95 #QF 0.95 assign (resid 61 and name HG2* ) (resid 63 and name HG2 ) 3.34 1.54 1.54 !peak 4450 #SUP 0.92 #QF 0.92 assign (resid 61 and name HG2* ) (resid 62 and name HA ) 3.38 1.58 1.58 !peak 4452 #SUP 0.98 #QF 0.97 assign (resid 61 and name HG2* ) (resid 63 and name HA ) 3.75 1.95 1.95 !peak 4452 #SUP 0.98 #QF 0.97 assign (resid 61 and name HG2* ) (resid 95 and name HA ) 3.75 1.95 1.95 !peak 4453 #SUP 1.00 assign (resid 60 and name HA ) (resid 61 and name HB ) 3.61 1.81 1.81 !peak 4454 #SUP 0.88 #QF 0.88 assign (resid 60 and name HA ) (resid 61 and name HG2* ) 4.22 2.42 2.42 !peak 4457 #SUP 0.85 #QF 0.85 assign (resid 13 and name HN ) (resid 61 and name HB ) 3.12 1.32 1.32 !peak 4458 #SUP 0.98 #QF 0.98 assign (resid 13 and name HN ) (resid 61 and name HG2* ) 3.50 1.70 1.70 !peak 4459 #SUP 0.97 #QF 0.97 assign (resid 62 and name HB* ) (resid 64 and name HN ) 3.75 1.95 1.95 !peak 4464 #SUP 0.77 #QF 0.77 assign (resid 62 and name HB* ) (resid 91 and name HD1 ) 3.87 2.07 2.07 !peak 4465 #SUP 0.60 #QF 0.60 assign (resid 62 and name HB* ) (resid 71 and name HB2 ) 3.59 1.79 1.79 !peak 4471 #SUP 0.78 #QF 0.28 assign (resid 62 and name HB* ) (resid 67 and name HB2 ) 3.50 1.70 1.70 !peak 4473 #SUP 0.97 #QF 0.96 assign (resid 62 and name HB* ) (resid 67 and name HB1 ) 3.50 1.70 1.70 !peak 4473 #SUP 0.97 #QF 0.96 assign (resid 62 and name HB* ) (resid 96 and name HG2* ) 3.68 1.88 1.88 !peak 4474 #SUP 0.92 #QF 0.79 assign (resid 60 and name HG2* ) (resid 62 and name HB* ) 3.35 1.55 1.55 !peak 4475 #SUP 0.93 #QF 0.93 assign (resid 62 and name HB* ) (resid 68 and name HB* ) 3.38 1.58 1.58 !peak 4476 #SUP 0.99 #QF 0.99 assign (resid 61 and name HG2* ) (resid 63 and name HG1 ) 3.34 1.54 1.54 !peak 4484 #SUP 0.99 #QF 0.99 assign (resid 67 and name HA ) (resid 70 and name HD1 ) 3.44 1.64 1.64 !peak 4510 #SUP 0.65 #QF 0.65 assign (resid 64 and name HN ) (resid 67 and name HG1 ) 3.38 1.58 1.58 !peak 4515 #SUP 0.95 #QF 0.95 assign (resid 68 and name HA ) (resid 96 and name HG1* ) 3.46 1.66 1.66 !peak 4516 #SUP 0.57 #QF 0.57 assign (resid 68 and name HA ) (resid 96 and name HG2* ) 3.46 1.66 1.66 !peak 4517 #SUP 0.88 #QF 0.88 assign (resid 62 and name HB* ) (resid 68 and name HA ) 2.95 1.15 1.15 !peak 4518 #SUP 0.99 #QF 0.99 assign (resid 68 and name HA ) (resid 71 and name HD2 ) 4.35 2.55 2.55 !peak 4525 #SUP 0.96 #QF 0.96 assign (resid 69 and name HA ) (resid 91 and name HZ2 ) 3.87 2.07 2.07 !peak 4526 #SUP 0.34 #QF 0.34 assign (resid 68 and name HN ) (resid 69 and name HA ) 4.07 2.27 2.27 !peak 4527 #SUP 0.82 #QF 0.82 assign (resid 70 and name HG1 ) (resid 71 and name HD2 ) 3.60 1.80 1.80 !peak 4534 #SUP 0.98 #QF 0.98 assign (resid 60 and name HB ) (resid 71 and name HB1 ) 3.59 1.79 1.79 !peak 4536 #SUP 1.00 #QF 0.92 assign (resid 60 and name HG2* ) (resid 71 and name HB1 ) 3.07 1.27 1.27 !peak 4538 #SUP 1.00 #QF 0.97 assign (resid 72 and name HA ) (resid 96 and name HG2* ) 3.44 1.64 1.64 !peak 4548 #SUP 0.96 #QF 0.96 assign (resid 72 and name HB* ) (resid 96 and name HG2* ) 2.95 1.15 1.15 !peak 4551 #SUP 0.95 #QF 0.95 assign (resid 72 and name HB* ) (resid 89 and name HG1* ) 3.13 1.33 1.33 !peak 4552 #SUP 0.96 #QF 0.96 assign (resid 72 and name HB* ) (resid 96 and name HG1* ) 2.95 1.15 1.15 !peak 4553 #SUP 0.99 #QF 0.82 assign (resid 60 and name HD1* ) (resid 72 and name HA ) 3.47 1.67 1.67 !peak 4554 #SUP 0.61 #QF 0.61 assign (resid 60 and name HD1* ) (resid 72 and name HB* ) 3.89 2.09 2.09 !peak 4555 #SUP 0.82 #QF 0.82 assign (resid 72 and name HB* ) (resid 76 and name HB ) 4.23 2.43 2.43 !peak 4556 #SUP 0.99 #QF 0.84 assign (resid 72 and name HB* ) (resid 98 and name HB ) 4.35 2.55 2.55 !peak 4556 #SUP 0.99 #QF 0.84 assign (resid 72 and name HB* ) (resid 89 and name HB ) 4.06 2.26 2.26 !peak 4557 #SUP 0.92 #QF 0.25 assign (resid 71 and name HB1 ) (resid 72 and name HB* ) 3.90 2.10 2.10 !peak 4560 #SUP 1.00 #QF 0.54 assign (resid 71 and name HB2 ) (resid 72 and name HB* ) 4.02 2.22 2.22 !peak 4560 #SUP 1.00 #QF 0.54 assign (resid 68 and name HA ) (resid 72 and name HB* ) 3.69 1.89 1.89 !peak 4561 #SUP 0.96 #QF 0.96 assign (resid 72 and name HB* ) (resid 74 and name HN ) 3.59 1.79 1.79 !peak 4562 #SUP 0.94 #QF 0.94 assign (resid 73 and name HB* ) (resid 74 and name HD1* ) 3.70 1.90 1.90 !peak 4568 #SUP 0.91 #QF 0.88 assign (resid 73 and name HB* ) (resid 76 and name HG2* ) 4.02 2.22 2.22 !peak 4568 #SUP 0.91 #QF 0.88 assign (resid 73 and name HB* ) (resid 76 and name HD1* ) 3.38 1.58 1.58 !peak 4569 #SUP 0.92 #QF 0.92 assign (resid 73 and name HB* ) (resid 76 and name HB ) 3.56 1.76 1.76 !peak 4570 #SUP 1.00 assign (resid 73 and name HB* ) (resid 74 and name HA ) 3.31 1.51 1.51 !peak 4572 #SUP 0.98 #QF 0.98 assign (resid 73 and name HB* ) (resid 77 and name HN ) 4.01 2.21 2.21 !peak 4573 #SUP 0.62 #QF 0.62 assign (resid 71 and name HD2 ) (resid 74 and name HB ) 3.73 1.93 1.93 !peak 4575 #SUP 0.99 #QF 0.99 assign (resid 71 and name HD2 ) (resid 74 and name HG2* ) 4.11 2.31 2.31 !peak 4576 #SUP 0.95 #QF 0.95 assign (resid 72 and name HA ) (resid 74 and name HB ) 4.09 2.29 2.29 !peak 4578 #SUP 1.00 #QF 0.52 assign (resid 74 and name HG2* ) (resid 75 and name HA ) 3.12 1.32 1.32 !peak 4579 #SUP 0.97 #QF 0.97 assign (resid 71 and name HA ) (resid 74 and name HD1* ) 3.13 1.33 1.33 !peak 4580 #SUP 0.99 #QF 0.99 assign (resid 71 and name HA ) (resid 74 and name HG2* ) 3.82 2.02 2.02 !peak 4582 #SUP 0.98 #QF 0.98 assign (resid 41 and name HD1* ) (resid 74 and name HB ) 3.82 2.02 2.02 !peak 4588 #SUP 0.95 #QF 0.90 assign (resid 41 and name HD2* ) (resid 74 and name HG2* ) 2.91 1.11 1.11 !peak 4590 #SUP 0.98 #QF 0.97 assign (resid 37 and name HB1 ) (resid 74 and name HD1* ) 3.53 1.73 1.73 !peak 4591 #SUP 0.47 #QF 0.47 assign (resid 60 and name HD1* ) (resid 75 and name HD1* ) 2.85 1.05 1.05 !peak 4601 #SUP 0.84 #QF 0.66 assign (resid 75 and name HD1* ) (resid 98 and name HB ) 3.51 1.71 1.71 !peak 4602 #SUP 0.90 #QF 0.90 assign (resid 60 and name HB ) (resid 75 and name HD2* ) 3.95 2.15 2.15 !peak 4605 #SUP 0.73 #QF 0.73 assign (resid 75 and name HD2* ) (resid 98 and name HB ) 3.51 1.71 1.71 !peak 4606 #SUP 0.99 #QF 0.99 assign (resid 60 and name HD1* ) (resid 75 and name HD2* ) 2.85 1.05 1.05 !peak 4609 #SUP 0.67 #QF 0.67 assign (resid 76 and name HA ) (resid 79 and name HD2 ) 3.80 2.00 2.00 !peak 4611 #SUP 0.89 #QF 0.89 assign (resid 73 and name HA ) (resid 76 and name HD1* ) 2.80 1.00 1.00 !peak 4612 #SUP 0.91 #QF 0.91 assign (resid 72 and name HA ) (resid 76 and name HD1* ) 3.45 1.65 1.65 !peak 4613 #SUP 0.99 #QF 0.99 assign (resid 73 and name HA ) (resid 76 and name HG2* ) 3.51 1.71 1.71 !peak 4614 #SUP 0.97 #QF 0.97 assign (resid 72 and name HB* ) (resid 76 and name HD1* ) 2.79 0.99 0.99 !peak 4617 #SUP 0.89 #QF 0.89 assign (resid 76 and name HB ) (resid 80 and name HB* ) 4.12 2.32 2.32 !peak 4622 #SUP 0.87 #QF 0.81 assign (resid 74 and name HG2* ) (resid 77 and name HB1 ) 3.68 1.88 1.88 !peak 4628 #SUP 0.87 #QF 0.87 assign (resid 77 and name HB2 ) (resid 78 and name HG2* ) 3.45 1.65 1.65 !peak 4630 #SUP 0.99 #QF 0.99 assign (resid 78 and name HG1* ) (resid 79 and name HD2 ) 3.53 1.73 1.73 !peak 4633 #SUP 0.98 #QF 0.98 assign (resid 78 and name HG2* ) (resid 79 and name HD2 ) 3.83 2.03 2.03 !peak 4634 #SUP 0.90 #QF 0.90 assign (resid 77 and name HN ) (resid 78 and name HG2* ) 3.59 1.79 1.79 !peak 4635 #SUP 0.99 #QF 0.99 assign (resid 77 and name HN ) (resid 78 and name HB ) 4.29 2.49 2.49 !peak 4636 #SUP 0.99 #QF 0.99 assign (resid 78 and name HB ) (resid 79 and name HD2 ) 3.78 1.98 1.98 !peak 4637 #SUP 0.93 #QF 0.93 assign (resid 45 and name HB1 ) (resid 78 and name HG1* ) 3.16 1.36 1.36 !peak 4640 #SUP 0.98 #QF 0.98 assign (resid 78 and name HG1* ) (resid 79 and name HB1 ) 4.20 2.40 2.40 !peak 4641 #SUP 0.96 #QF 0.96 assign (resid 45 and name HD1 ) (resid 78 and name HG1* ) 3.29 1.49 1.49 !peak 4642 #SUP 1.00 #QF 0.94 assign (resid 78 and name HA ) (resid 82 and name HD1* ) 3.65 1.85 1.85 !peak 4646 #SUP 0.94 #QF 0.94 assign (resid 78 and name HG1* ) (resid 82 and name HD1* ) 2.65 0.85 0.85 !peak 4648 #SUP 0.70 #QF 0.70 assign (resid 80 and name HA ) (resid 87 and name HD1* ) 2.91 1.11 1.11 !peak 4655 #SUP 0.85 #QF 0.85 assign (resid 80 and name HB* ) (resid 87 and name HD1* ) 2.78 0.98 0.98 !peak 4656 #SUP 0.96 #QF 0.96 assign (resid 77 and name HE2 ) (resid 80 and name HB* ) 4.35 2.55 2.55 !peak 4657 #SUP 0.86 #QF 0.62 assign (resid 77 and name HE1 ) (resid 80 and name HB* ) 4.35 2.55 2.55 !peak 4657 #SUP 0.86 #QF 0.62 assign (resid 80 and name HA ) (resid 83 and name HN ) 3.23 1.43 1.43 !peak 4660 #SUP 0.94 #QF 0.45 assign (resid 79 and name HN ) (resid 80 and name HA ) 4.06 2.26 2.26 !peak 4664 #SUP 0.97 #QF 0.97 assign (resid 80 and name HB* ) (resid 81 and name HB1 ) 4.17 2.37 2.37 !peak 4665 #SUP 1.00 assign (resid 81 and name HB1 ) (resid 82 and name HG ) 3.48 1.68 1.68 !peak 4666 #SUP 0.97 #QF 0.97 assign (resid 80 and name HB* ) (resid 81 and name HB2 ) 3.68 1.88 1.88 !peak 4667 #SUP 0.84 #QF 0.84 assign (resid 45 and name HD2 ) (resid 81 and name HG2 ) 4.07 2.27 2.27 !peak 4668 #SUP 0.99 #QF 0.93 assign (resid 45 and name HD1 ) (resid 81 and name HG2 ) 4.35 2.55 2.55 !peak 4668 #SUP 0.99 #QF 0.93 assign (resid 45 and name HD2 ) (resid 81 and name HG1 ) 4.07 2.27 2.27 !peak 4671 #SUP 0.94 #QF 0.81 assign (resid 45 and name HD1 ) (resid 81 and name HG1 ) 4.35 2.55 2.55 !peak 4671 #SUP 0.94 #QF 0.81 assign (resid 78 and name HA ) (resid 81 and name HG2 ) 3.84 2.04 2.04 !peak 4673 #SUP 0.94 #QF 0.94 assign (resid 78 and name HA ) (resid 81 and name HG1 ) 3.84 2.04 2.04 !peak 4674 #SUP 0.99 #QF 0.99 assign (resid 78 and name HA ) (resid 81 and name HA ) 4.25 2.45 2.45 !peak 4675 #SUP 0.70 #QF 0.70 assign (resid 79 and name HB1 ) (resid 87 and name HG2* ) 3.39 1.59 1.59 !peak 4680 #SUP 1.00 assign (resid 79 and name HB2 ) (resid 87 and name HG2* ) 3.40 1.60 1.60 !peak 4681 #SUP 0.93 #QF 0.93 assign (resid 76 and name HA ) (resid 87 and name HG2* ) 3.19 1.39 1.39 !peak 4682 #SUP 0.74 #QF 0.74 assign (resid 76 and name HA ) (resid 87 and name HD1* ) 3.49 1.69 1.69 !peak 4683 #SUP 0.96 #QF 0.96 assign (resid 79 and name HB2 ) (resid 87 and name HD1* ) 3.22 1.42 1.42 !peak 4685 #SUP 0.98 #QF 0.98 assign (resid 79 and name HB1 ) (resid 87 and name HD1* ) 3.21 1.41 1.41 !peak 4686 #SUP 0.98 #QF 0.98 assign (resid 87 and name HN ) (resid 87 and name HB ) 3.06 1.26 1.26 !peak 4688 #SUP 0.97 #QF 0.97 assign (resid 87 and name HG2* ) (resid 89 and name HN ) 3.78 1.98 1.97 !peak 4690 #SUP 0.60 #QF 0.60 assign (resid 87 and name HN ) (resid 87 and name HG2* ) 3.52 1.72 1.72 !peak 4691 #SUP 0.68 #QF 0.68 assign (resid 87 and name HG2* ) (resid 88 and name HA ) 3.24 1.44 1.44 !peak 4698 #SUP 0.99 #QF 0.99 assign (resid 87 and name HG2* ) (resid 88 and name HB2 ) 4.21 2.41 2.41 !peak 4699 #SUP 1.00 #QF 0.94 assign (resid 87 and name HG2* ) (resid 88 and name HB1 ) 4.21 2.41 2.41 !peak 4699 #SUP 1.00 #QF 0.94 assign (resid 72 and name HB* ) (resid 89 and name HG2* ) 3.13 1.33 1.33 !peak 4701 #SUP 0.68 #QF 0.68 assign (resid 88 and name HA ) (resid 89 and name HB ) 3.65 1.85 1.85 !peak 4706 #SUP 0.98 #QF 0.98 assign (resid 57 and name HD2 ) (resid 97 and name HG2* ) 3.20 1.40 1.40 !peak 4743 #SUP 0.95 #QF 0.81 assign (resid 57 and name HD1 ) (resid 97 and name HG2* ) 3.20 1.40 1.40 !peak 4743 #SUP 0.95 #QF 0.81 assign (resid 57 and name HB1 ) (resid 97 and name HG2* ) 3.51 1.71 1.71 !peak 4746 #SUP 0.90 #QF 0.90 assign (resid 90 and name HG2* ) (resid 97 and name HG2* ) 3.19 1.39 1.39 !peak 4749 #SUP 0.74 #QF 0.74 assign (resid 90 and name HG2* ) (resid 97 and name HB ) 3.29 1.49 1.49 !peak 4750 #SUP 0.99 #QF 0.99 assign (resid 57 and name HA ) (resid 97 and name HG2* ) 3.72 1.92 1.92 !peak 4752 #SUP 1.00 assign (resid 59 and name HA ) (resid 97 and name HG2* ) 3.45 1.65 1.65 !peak 4756 #SUP 1.00 assign (resid 59 and name HA ) (resid 97 and name HB ) 3.79 1.99 1.99 !peak 4758 #SUP 1.00 assign (resid 89 and name HB ) (resid 98 and name HG1* ) 3.92 2.12 2.12 !peak 4769 #SUP 0.86 #QF 0.60 assign (resid 89 and name HA ) (resid 98 and name HG1* ) 3.65 1.85 1.85 !peak 4771 #SUP 0.82 #QF 0.82 assign (resid 97 and name HG2* ) (resid 98 and name HA ) 3.51 1.71 1.71 !peak 4778 #SUP 0.84 #QF 0.84 assign (resid 90 and name HB ) (resid 97 and name HG2* ) 3.60 1.80 1.80 !peak 4780 #SUP 1.00 assign (resid 62 and name HB* ) (resid 95 and name HA ) 3.21 1.41 1.41 !peak 4789 #SUP 0.99 #QF 0.99 assign (resid 61 and name HA ) (resid 95 and name HG2* ) 3.04 1.24 1.24 !peak 4793 #SUP 0.93 #QF 0.93 assign (resid 59 and name HB2 ) (resid 95 and name HG2* ) 3.19 1.39 1.39 !peak 4794 #SUP 0.96 #QF 0.96 assign (resid 59 and name HB1 ) (resid 95 and name HG2* ) 3.19 1.39 1.39 !peak 4795 #SUP 0.88 #QF 0.88 assign (resid 58 and name HG2* ) (resid 60 and name HD1* ) 2.88 1.08 1.08 !peak 4797 #SUP 0.58 #QF 0.58 assign (resid 61 and name HA ) (resid 95 and name HA ) 3.02 1.22 1.22 !peak 4799 #SUP 0.98 #QF 0.98 assign (resid 61 and name HA ) (resid 95 and name HB ) 3.77 1.97 1.97 !peak 4800 #SUP 0.73 #QF 0.73 assign (resid 62 and name HN ) (resid 95 and name HB ) 4.03 2.23 2.23 !peak 4801 #SUP 0.89 #QF 0.89 assign (resid 75 and name HA ) (resid 78 and name HG2* ) 2.80 1.00 1.00 !peak 4813 #SUP 0.98 #QF 0.98 assign (resid 41 and name HB2 ) (resid 78 and name HG2* ) 2.79 0.99 0.99 !peak 4814 #SUP 0.33 #QF 0.33 assign (resid 45 and name HD1 ) (resid 78 and name HG2* ) 3.04 1.24 1.24 !peak 4815 #SUP 0.90 #QF 0.90 assign (resid 41 and name HB1 ) (resid 78 and name HG2* ) 3.02 1.22 1.22 !peak 4816 #SUP 0.99 #QF 0.99 assign (resid 41 and name HD2* ) (resid 78 and name HG2* ) 3.17 1.37 1.37 !peak 4817 #SUP 0.85 #QF 0.85 assign (resid 58 and name HG2* ) (resid 75 and name HD2* ) 3.01 1.21 1.21 !peak 4820 #SUP 0.93 #QF 0.77 assign (resid 75 and name HD2* ) (resid 79 and name HE2 ) 3.88 2.08 2.08 !peak 4831 #SUP 0.83 #QF 0.83 assign (resid 58 and name HN ) (resid 75 and name HD2* ) 3.91 2.11 2.11 !peak 4835 #SUP 0.94 #QF 0.67 assign (resid 45 and name HN ) (resid 78 and name HG2* ) 3.61 1.81 1.81 !peak 4836 #SUP 0.90 #QF 0.90 assign (resid 75 and name HA ) (resid 78 and name HG1* ) 3.48 1.68 1.68 !peak 4838 #SUP 0.73 #QF 0.73 assign (resid 78 and name HG2* ) (resid 79 and name HA ) 4.09 2.29 2.29 !peak 4839 #SUP 0.99 #QF 0.99 assign (resid 78 and name HG1* ) (resid 79 and name HA ) 3.70 1.90 1.90 !peak 4840 #SUP 0.93 #QF 0.93 assign (resid 78 and name HG1* ) (resid 82 and name HD2* ) 3.06 1.26 1.26 !peak 4842 #SUP 1.00 assign (resid 74 and name HB ) (resid 78 and name HG2* ) 3.80 2.00 2.00 !peak 4843 #SUP 0.95 #QF 0.95 assign (resid 77 and name HB1 ) (resid 78 and name HG2* ) 3.18 1.38 1.38 !peak 4844 #SUP 0.89 #QF 0.89 assign (resid 79 and name HD2 ) (resid 82 and name HD1* ) 3.27 1.47 1.47 !peak 4846 #SUP 0.94 #QF 0.94 assign (resid 49 and name HN ) (resid 82 and name HD2* ) 3.15 1.35 1.35 !peak 4849 #SUP 0.99 #QF 0.99 assign (resid 49 and name HA ) (resid 82 and name HD2* ) 3.18 1.38 1.38 !peak 4851 #SUP 1.00 assign (resid 45 and name HA ) (resid 82 and name HD2* ) 3.18 1.38 1.38 !peak 4852 #SUP 0.97 #QF 0.97 assign (resid 79 and name HA ) (resid 82 and name HD1* ) 3.09 1.29 1.28 !peak 4853 #SUP 0.98 #QF 0.98 assign (resid 49 and name HA ) (resid 82 and name HD1* ) 3.43 1.63 1.63 !peak 4854 #SUP 1.00 assign (resid 79 and name HB1 ) (resid 82 and name HD1* ) 3.84 2.04 2.04 !peak 4856 #SUP 0.74 #QF 0.74 assign (resid 45 and name HD2 ) (resid 82 and name HD2* ) 2.84 1.04 1.04 !peak 4859 #SUP 0.91 #QF 0.83 assign (resid 49 and name HD1 ) (resid 82 and name HD2* ) 3.46 1.66 1.66 !peak 4859 #SUP 0.91 #QF 0.83 assign (resid 45 and name HG2 ) (resid 82 and name HD2* ) 2.75 0.95 0.95 !peak 4860 #SUP 0.90 #QF 0.90 assign (resid 45 and name HG1 ) (resid 82 and name HD2* ) 2.94 1.14 1.14 !peak 4861 #SUP 1.00 assign (resid 48 and name HB ) (resid 82 and name HD1* ) 3.04 1.24 1.24 !peak 4862 #SUP 0.81 #QF 0.81 assign (resid 45 and name HG2 ) (resid 82 and name HD1* ) 3.03 1.23 1.23 !peak 4863 #SUP 0.99 #QF 0.99 assign (resid 45 and name HG1 ) (resid 82 and name HD1* ) 3.18 1.38 1.38 !peak 4864 #SUP 1.00 assign (resid 45 and name HD2 ) (resid 82 and name HA ) 4.35 2.55 2.55 !peak 4867 #SUP 0.80 #QF 0.58 assign (resid 49 and name HD2 ) (resid 82 and name HA ) 4.35 2.55 2.55 !peak 4867 #SUP 0.80 #QF 0.58 assign (resid 49 and name HD1 ) (resid 82 and name HA ) 4.35 2.55 2.55 !peak 4867 #SUP 0.80 #QF 0.58 assign (resid 81 and name HB2 ) (resid 82 and name HD2* ) 3.24 1.44 1.44 !peak 4869 #SUP 0.58 #QF 0.58 assign (resid 78 and name HB ) (resid 82 and name HD2* ) 4.35 2.55 2.55 !peak 4870 #SUP 0.85 #QF 0.39 assign (resid 81 and name HB2 ) (resid 82 and name HD1* ) 3.60 1.80 1.80 !peak 4871 #SUP 0.94 #QF 0.94 assign (resid 78 and name HB ) (resid 82 and name HD1* ) 3.68 1.88 1.88 !peak 4872 #SUP 0.91 #QF 0.91 assign (resid 41 and name HD1* ) (resid 78 and name HG2* ) 3.17 1.37 1.37 !peak 4883 #SUP 1.00 assign (resid 31 and name HG2* ) (resid 37 and name HG ) 3.73 1.93 1.93 !peak 4886 #SUP 0.99 #QF 0.42 assign (resid 31 and name HG2* ) (resid 37 and name HB1 ) 3.64 1.84 1.84 !peak 4890 #SUP 0.97 #QF 0.70 assign (resid 57 and name HA ) (resid 99 and name HA ) 3.17 1.37 1.37 !peak 4904 #SUP 0.94 #QF 0.94 assign (resid 57 and name HA ) (resid 99 and name HG2 ) 3.83 2.03 2.03 !peak 4906 #SUP 0.73 #QF 0.73 assign (resid 57 and name HA ) (resid 99 and name HG1 ) 3.83 2.03 2.03 !peak 4907 #SUP 0.97 #QF 0.97 assign (resid 99 and name HG2 ) (resid 100 and name HN ) 3.67 1.87 1.87 !peak 4912 #SUP 0.62 #QF 0.62 assign (resid 99 and name HG1 ) (resid 100 and name HN ) 3.67 1.87 1.87 !peak 4913 #SUP 0.74 #QF 0.74 assign (resid 55 and name HG* ) (resid 99 and name HG1 ) 3.60 1.80 1.80 !peak 4919 #SUP 0.78 #QF 0.78 assign (resid 55 and name HG* ) (resid 99 and name HG2 ) 3.60 1.80 1.80 !peak 4921 #SUP 0.75 #QF 0.75 assign (resid 91 and name HA ) (resid 96 and name HA ) 3.71 1.91 1.91 !peak 4927 #SUP 0.61 #QF 0.61 assign (resid 89 and name HA ) (resid 98 and name HA ) 2.84 1.04 1.04 !peak 4928 #SUP 0.96 #QF 0.96 assign (resid 89 and name HA ) (resid 98 and name HG2* ) 3.65 1.85 1.85 !peak 4929 #SUP 0.85 #QF 0.85 assign (resid 16 and name HA ) (resid 58 and name HB ) 3.87 2.07 2.07 !peak 4933 #SUP 0.97 #QF 0.97 assign (resid 79 and name HE2 ) (resid 98 and name HB ) 3.79 1.99 1.99 !peak 4939 #SUP 0.59 #QF 0.59 assign (resid 48 and name HG2* ) (resid 79 and name HE2 ) 3.90 2.10 2.10 !peak 4940 #SUP 0.59 #QF 0.59 assign (resid 18 and name HA ) (resid 56 and name HA ) 3.23 1.43 1.43 !peak 4961 #SUP 0.96 #QF 0.96 assign (resid 11 and name HA ) (resid 32 and name HA ) 3.15 1.35 1.35 !peak 4977 #SUP 0.62 #QF 0.62 assign (resid 12 and name HA ) (resid 61 and name HB ) 2.94 1.14 1.14 !peak 4978 #SUP 0.94 #QF 0.94 assign (resid 12 and name HG12 ) (resid 61 and name HB ) 3.50 1.70 1.70 !peak 4980 #SUP 1.00 assign (resid 12 and name HG2* ) (resid 61 and name HB ) 2.97 1.17 1.17 !peak 4981 #SUP 0.83 #QF 0.83 assign (resid 12 and name HG11 ) (resid 61 and name HB ) 3.81 2.01 2.01 !peak 4983 #SUP 0.97 #QF 0.97 assign (resid 12 and name HB ) (resid 61 and name HB ) 3.70 1.90 1.90 !peak 4984 #SUP 0.85 #QF 0.85 assign (resid 13 and name HB2 ) (resid 61 and name HB ) 3.79 1.99 1.99 !peak 4985 #SUP 0.89 #QF 0.89 assign (resid 12 and name HD1* ) (resid 31 and name HB ) 4.17 2.37 2.37 !peak 4989 #SUP 0.97 #QF 0.72 assign (resid 12 and name HG2* ) (resid 60 and name HA ) 3.44 1.64 1.64 !peak 4990 #SUP 0.87 #QF 0.87 assign (resid 13 and name HG1 ) (resid 30 and name HG2* ) 4.02 2.22 2.22 !peak 4993 #SUP 0.98 #QF 0.80 assign (resid 13 and name HG2 ) (resid 30 and name HG2* ) 4.02 2.22 2.22 !peak 4994 #SUP 0.85 #QF 0.72 assign (resid 13 and name HB1 ) (resid 30 and name HG2* ) 3.68 1.88 1.88 !peak 4995 #SUP 0.96 #QF 0.96 assign (resid 13 and name HA ) (resid 30 and name HA ) 2.75 0.95 0.95 !peak 4998 #SUP 0.97 #QF 0.97 assign (resid 13 and name HA ) (resid 30 and name HB ) 4.00 2.20 2.20 !peak 5000 #SUP 0.92 #QF 0.92 assign (resid 13 and name HA ) (resid 14 and name HB ) 3.70 1.90 1.90 !peak 5001 #SUP 0.65 #QF 0.65 assign (resid 13 and name HA ) (resid 31 and name HN ) 3.06 1.26 1.26 !peak 5003 #SUP 0.88 #QF 0.88 assign (resid 14 and name HA ) (resid 61 and name HN ) 3.33 1.53 1.53 !peak 5005 #SUP 0.89 #QF 0.89 assign (resid 14 and name HG2* ) (resid 29 and name HB1 ) 3.72 1.92 1.92 !peak 5011 #SUP 0.96 #QF 0.96 assign (resid 14 and name HG2* ) (resid 60 and name HA ) 3.22 1.42 1.42 !peak 5013 #SUP 0.97 #QF 0.97 assign (resid 14 and name HG2* ) (resid 29 and name HD2 ) 3.13 1.33 1.33 !peak 5014 #SUP 0.94 #QF 0.94 assign (resid 15 and name HA ) (resid 28 and name HB ) 3.80 2.00 2.00 !peak 5020 #SUP 0.94 #QF 0.94 assign (resid 15 and name HA ) (resid 28 and name HG2* ) 3.08 1.28 1.28 !peak 5032 #SUP 0.97 #QF 0.97 assign (resid 14 and name HB ) (resid 28 and name HG2* ) 3.75 1.95 1.95 !peak 5033 #SUP 0.98 #QF 0.81 assign (resid 14 and name HG1* ) (resid 28 and name HG2* ) 3.46 1.66 1.66 !peak 5035 #SUP 0.86 #QF 0.86 assign (resid 28 and name HG2* ) (resid 29 and name HD2 ) 4.35 2.55 2.55 !peak 5039 #SUP 0.80 #QF 0.80 assign (resid 12 and name HB ) (resid 31 and name HA ) 3.90 2.10 2.10 !peak 5046 #SUP 0.95 #QF 0.95 assign (resid 31 and name HG1* ) (resid 37 and name HG ) 3.55 1.75 1.74 !peak 5048 #SUP 0.30 #QF 0.30 assign (resid 31 and name HG1* ) (resid 40 and name HB ) 3.31 1.51 1.51 !peak 5049 #SUP 0.96 #QF 0.96 assign (resid 31 and name HG1* ) (resid 36 and name HA ) 3.56 1.76 1.76 !peak 5052 #SUP 0.65 #QF 0.65 assign (resid 31 and name HG2* ) (resid 32 and name HA ) 3.63 1.83 1.83 !peak 5054 #SUP 1.00 assign (resid 31 and name HB ) (resid 32 and name HA ) 3.56 1.76 1.76 !peak 5055 #SUP 0.86 #QF 0.86 assign (resid 30 and name HA ) (resid 31 and name HG1* ) 3.78 1.98 1.98 !peak 5056 #SUP 0.98 #QF 0.98 assign (resid 12 and name HN ) (resid 31 and name HG1* ) 4.34 2.54 2.54 !peak 5057 #SUP 0.95 #QF 0.95 assign (resid 63 and name HB1 ) (resid 64 and name HG2* ) 3.45 1.65 1.65 !peak 5064 #SUP 0.96 #QF 0.96 assign (resid 33 and name HG2* ) (resid 36 and name HB1 ) 3.97 2.17 2.17 !peak 5068 #SUP 0.97 #QF 0.97 assign (resid 33 and name HG2* ) (resid 36 and name HG2 ) 3.77 1.97 1.97 !peak 5069 #SUP 0.76 #QF 0.76 assign (resid 36 and name HB2 ) (resid 37 and name HA ) 3.82 2.02 2.02 !peak 5077 #SUP 0.98 #QF 0.98 assign (resid 32 and name HG2* ) (resid 36 and name HB1 ) 4.26 2.46 2.46 !peak 5080 #SUP 1.00 #QF 0.67 assign (resid 33 and name HG2* ) (resid 36 and name HG1 ) 3.77 1.97 1.97 !peak 5081 #SUP 0.56 #QF 0.35 assign (resid 31 and name HB ) (resid 37 and name HD2* ) 4.35 2.55 2.55 !peak 5087 #SUP 0.99 #QF 0.99 assign (resid 31 and name HB ) (resid 37 and name HD1* ) 4.35 2.55 2.55 !peak 5088 #SUP 0.97 #QF 0.84 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 3.00 1.20 1.20 !peak 5089 #SUP 0.99 #QF 0.99 assign (resid 34 and name HA ) (resid 34 and name HG1 ) 3.02 1.22 1.22 !peak 5102 #SUP 0.92 #QF 0.92 assign (resid 34 and name HA ) (resid 34 and name HG2 ) 3.02 1.22 1.22 !peak 5103 #SUP 0.95 #QF 0.95 assign (resid 34 and name HA ) (resid 71 and name HZ ) 3.91 2.11 2.11 !peak 5104 #SUP 0.92 #QF 0.92 assign (resid 34 and name HB* ) (resid 71 and name HZ ) 4.26 2.46 2.46 !peak 5108 #SUP 1.00 assign (resid 12 and name HD1* ) (resid 34 and name HA ) 3.60 1.80 1.80 !peak 5116 #SUP 0.99 #QF 0.94 assign (resid 34 and name HA ) (resid 37 and name HD1* ) 4.22 2.42 2.42 !peak 5117 #SUP 0.72 #QF 0.72 assign (resid 12 and name HD1* ) (resid 34 and name HB* ) 3.65 1.85 1.85 !peak 5118 #SUP 0.69 #QF 0.69 assign (resid 34 and name HG1 ) (resid 71 and name HZ ) 3.69 1.89 1.89 !peak 5120 #SUP 1.00 assign (resid 34 and name HG1 ) (resid 71 and name HE2 ) 3.60 1.80 1.80 !peak 5122 #SUP 0.84 #QF 0.84 assign (resid 34 and name HG2 ) (resid 71 and name HE2 ) 3.60 1.80 1.80 !peak 5123 #SUP 0.99 #QF 0.99 assign (resid 34 and name HB* ) (resid 71 and name HE2 ) 3.63 1.83 1.83 !peak 5124 #SUP 0.91 #QF 0.91 assign (resid 33 and name HN ) (resid 36 and name HG2 ) 4.01 2.21 2.20 !peak 5125 #SUP 0.73 #QF 0.73 assign (resid 33 and name HN ) (resid 36 and name HG1 ) 4.01 2.21 2.20 !peak 5126 #SUP 0.55 #QF 0.55 assign (resid 34 and name HA ) (resid 37 and name HD2* ) 4.22 2.42 2.42 !peak 5128 #SUP 0.99 #QF 0.99 assign (resid 37 and name HN ) (resid 38 and name HA ) 4.05 2.25 2.25 !peak 5129 #SUP 0.91 #QF 0.91 assign (resid 38 and name HB2 ) (resid 39 and name HA ) 4.35 2.55 2.55 !peak 5135 #SUP 1.00 #QF 0.89 assign (resid 38 and name HB1 ) (resid 39 and name HA ) 4.35 2.55 2.55 !peak 5135 #SUP 1.00 #QF 0.89 assign (resid 37 and name HA ) (resid 40 and name HG1* ) 3.87 2.07 2.07 !peak 5145 #SUP 1.00 assign (resid 37 and name HA ) (resid 40 and name HG2* ) 3.87 2.07 2.07 !peak 5146 #SUP 0.96 #QF 0.96 assign (resid 40 and name HA ) (resid 41 and name HA ) 3.82 2.02 2.02 !peak 5147 #SUP 0.98 #QF 0.98 assign (resid 39 and name HA ) (resid 40 and name HA ) 3.98 2.18 2.18 !peak 5148 #SUP 0.98 #QF 0.89 assign (resid 48 and name HA ) (resid 49 and name HA ) 4.21 2.41 2.41 !peak 5148 #SUP 0.98 #QF 0.89 assign (resid 41 and name HB2 ) (resid 74 and name HG2* ) 3.66 1.86 1.86 !peak 5151 #SUP 1.00 assign (resid 41 and name HB1 ) (resid 74 and name HG2* ) 3.65 1.85 1.85 !peak 5153 #SUP 0.98 #QF 0.98 assign (resid 41 and name HD1* ) (resid 74 and name HG2* ) 2.91 1.11 1.11 !peak 5155 #SUP 0.99 #QF 0.99 assign (resid 37 and name HB1 ) (resid 41 and name HG ) 4.31 2.51 2.51 !peak 5158 #SUP 0.94 #QF 0.80 assign (resid 37 and name HG ) (resid 41 and name HG ) 4.35 2.55 2.55 !peak 5158 #SUP 0.94 #QF 0.80 assign (resid 41 and name HD2* ) (resid 74 and name HB ) 3.82 2.02 2.02 !peak 5159 #SUP 0.82 #QF 0.54 assign (resid 89 and name HB ) (resid 98 and name HG2* ) 3.92 2.12 2.12 !peak 5159 #SUP 0.82 #QF 0.54 assign (resid 42 and name HA ) (resid 43 and name HA ) 3.78 1.98 1.97 !peak 5165 #SUP 0.78 #QF 0.78 assign (resid 44 and name HG ) (resid 78 and name HG1* ) 3.99 2.19 2.19 !peak 5171 #SUP 0.91 #QF 0.91 assign (resid 45 and name HA ) (resid 78 and name HG2* ) 3.75 1.95 1.95 !peak 5175 #SUP 0.97 #QF 0.97 assign (resid 45 and name HB1 ) (resid 78 and name HG2* ) 3.56 1.76 1.76 !peak 5176 #SUP 0.89 #QF 0.89 assign (resid 45 and name HG2 ) (resid 78 and name HG2* ) 4.09 2.29 2.29 !peak 5177 #SUP 0.90 #QF 0.90 assign (resid 45 and name HG1 ) (resid 78 and name HG2* ) 3.47 1.67 1.67 !peak 5178 #SUP 0.85 #QF 0.85 assign (resid 45 and name HG2 ) (resid 46 and name HA ) 3.20 1.40 1.40 !peak 5183 #SUP 0.98 #QF 0.98 assign (resid 45 and name HB1 ) (resid 46 and name HA ) 3.49 1.69 1.69 !peak 5184 #SUP 0.90 #QF 0.90 assign (resid 45 and name HB1 ) (resid 46 and name HB2 ) 3.47 1.67 1.67 !peak 5188 #SUP 0.79 #QF 0.79 assign (resid 46 and name HB1 ) (resid 49 and name HB1 ) 4.29 2.49 2.49 !peak 5189 #SUP 0.92 #QF 0.89 assign (resid 46 and name HB1 ) (resid 49 and name HB2 ) 4.35 2.55 2.55 !peak 5189 #SUP 0.92 #QF 0.89 assign (resid 46 and name HB2 ) (resid 47 and name HA ) 4.06 2.26 2.26 !peak 5190 #SUP 0.60 #QF 0.60 assign (resid 46 and name HB1 ) (resid 47 and name HA ) 3.67 1.87 1.87 !peak 5192 #SUP 0.94 #QF 0.94 assign (resid 47 and name HA ) (resid 50 and name HD2 ) 4.35 2.55 2.55 !peak 5195 #SUP 0.98 #QF 0.90 assign (resid 47 and name HA ) (resid 50 and name HD1 ) 4.35 2.55 2.55 !peak 5195 #SUP 0.98 #QF 0.90 assign (resid 47 and name HB1 ) (resid 48 and name HA ) 3.88 2.08 2.08 !peak 5198 #SUP 1.00 #QF 0.96 assign (resid 48 and name HB ) (resid 49 and name HG1 ) 4.35 2.55 2.55 !peak 5199 #SUP 0.77 #QF 0.77 assign (resid 44 and name HG ) (resid 48 and name HG12 ) 3.64 1.84 1.84 !peak 5201 #SUP 0.86 #QF 0.86 assign (resid 44 and name HG ) (resid 48 and name HD1* ) 3.72 1.92 1.92 !peak 5202 #SUP 0.98 #QF 0.98 assign (resid 16 and name HD22 ) (resid 48 and name HD1* ) 3.98 2.18 2.18 !peak 5204 #SUP 0.99 #QF 0.96 assign (resid 47 and name HA ) (resid 50 and name HE2 ) 3.87 2.07 2.07 !peak 5209 #SUP 0.60 #QF 0.45 assign (resid 47 and name HA ) (resid 50 and name HE1 ) 3.87 2.07 2.07 !peak 5209 #SUP 0.60 #QF 0.45 assign (resid 37 and name HG ) (resid 60 and name HD1* ) 4.05 2.25 2.25 !peak 5222 #SUP 1.00 #QF 0.32 assign (resid 14 and name HA ) (resid 60 and name HG12 ) 3.48 1.68 1.68 !peak 5225 #SUP 1.00 assign (resid 60 and name HA ) (resid 61 and name HA ) 3.82 2.02 2.02 !peak 5227 #SUP 1.00 assign (resid 60 and name HG2* ) (resid 61 and name HA ) 3.68 1.88 1.88 !peak 5234 #SUP 1.00 assign (resid 12 and name HD1* ) (resid 61 and name HG2* ) 3.80 2.00 2.00 !peak 5235 #SUP 0.68 #QF 0.68 assign (resid 12 and name HG12 ) (resid 61 and name HG2* ) 3.25 1.45 1.45 !peak 5236 #SUP 0.80 #QF 0.80 assign (resid 62 and name HA ) (resid 68 and name HA ) 3.30 1.50 1.50 !peak 5239 #SUP 0.79 #QF 0.79 assign (resid 66 and name HA ) (resid 67 and name HA ) 3.68 1.88 1.88 !peak 5256 #SUP 0.71 #QF 0.71 assign (resid 67 and name HA ) (resid 70 and name HG1 ) 3.88 2.08 2.08 !peak 5275 #SUP 0.99 #QF 0.99 assign (resid 70 and name HB2 ) (resid 72 and name HN ) 4.33 2.53 2.53 !peak 5280 #SUP 0.84 #QF 0.84 assign (resid 70 and name HE2 ) (resid 71 and name HZ ) 4.17 2.37 2.37 !peak 5282 #SUP 0.84 #QF 0.57 assign (resid 70 and name HE1 ) (resid 71 and name HZ ) 4.17 2.37 2.37 !peak 5282 #SUP 0.84 #QF 0.57 assign (resid 70 and name HE2 ) (resid 74 and name HD1* ) 4.35 2.55 2.55 !peak 5283 #SUP 0.91 #QF 0.21 assign (resid 70 and name HE1 ) (resid 74 and name HD1* ) 4.35 2.55 2.55 !peak 5283 #SUP 0.91 #QF 0.21 assign (resid 72 and name HB* ) (resid 76 and name HN ) 3.52 1.72 1.72 !peak 5286 #SUP 0.97 #QF 0.97 assign (resid 73 and name HB* ) (resid 74 and name HG11 ) 3.40 1.60 1.60 !peak 5291 #SUP 1.00 assign (resid 73 and name HB* ) (resid 74 and name HG12 ) 3.40 1.60 1.60 !peak 5293 #SUP 0.89 #QF 0.89 assign (resid 37 and name HB1 ) (resid 74 and name HG2* ) 3.92 2.12 2.12 !peak 5294 #SUP 0.72 #QF 0.40 assign (resid 37 and name HG ) (resid 74 and name HG2* ) 4.20 2.40 2.40 !peak 5294 #SUP 0.72 #QF 0.40 assign (resid 74 and name HB ) (resid 75 and name HA ) 3.40 1.60 1.60 !peak 5300 #SUP 1.00 assign (resid 76 and name HG2* ) (resid 77 and name HA ) 3.15 1.35 1.35 !peak 5310 #SUP 0.97 #QF 0.97 assign (resid 76 and name HG2* ) (resid 80 and name HA ) 3.75 1.95 1.95 !peak 5311 #SUP 0.85 #QF 0.85 assign (resid 76 and name HG2* ) (resid 80 and name HN ) 3.52 1.72 1.72 !peak 5313 #SUP 0.98 #QF 0.98 assign (resid 76 and name HD1* ) (resid 80 and name HN ) 4.35 2.55 2.55 !peak 5314 #SUP 0.99 #QF 0.99 assign (resid 77 and name HA ) (resid 78 and name HB ) 4.29 2.49 2.49 !peak 5320 #SUP 0.90 #QF 0.90 assign (resid 74 and name HG2* ) (resid 78 and name HB ) 4.01 2.21 2.20 !peak 5321 #SUP 0.99 #QF 0.99 assign (resid 79 and name HA ) (resid 82 and name HB2 ) 3.78 1.98 1.97 !peak 5323 #SUP 0.98 #QF 0.88 assign (resid 79 and name HD2 ) (resid 82 and name HB2 ) 4.35 2.55 2.55 !peak 5333 #SUP 0.97 #QF 0.97 assign (resid 79 and name HA ) (resid 82 and name HG ) 3.61 1.81 1.81 !peak 5334 #SUP 0.99 #QF 0.99 assign (resid 78 and name HG2* ) (resid 82 and name HD1* ) 3.76 1.96 1.96 !peak 5338 #SUP 1.00 assign (resid 11 and name HB2 ) (resid 32 and name HG2* ) 4.35 2.55 2.55 !peak 5353 #SUP 0.86 #QF 0.31 assign (resid 11 and name HB1 ) (resid 32 and name HG2* ) 4.35 2.55 2.55 !peak 5353 #SUP 0.86 #QF 0.31 assign (resid 10 and name HA* ) (resid 12 and name HN ) 4.19 2.39 2.39 !peak 5359 #SUP 0.80 #QF 0.80 assign (resid 87 and name HG2* ) (resid 98 and name HA ) 3.64 1.84 1.84 !peak 5362 #SUP 0.70 #QF 0.70 assign (resid 79 and name HD2 ) (resid 87 and name HD1* ) 3.94 2.14 2.14 !peak 5365 #SUP 0.78 #QF 0.78 assign (resid 79 and name HD2 ) (resid 87 and name HG2* ) 3.93 2.13 2.13 !peak 5367 #SUP 0.98 #QF 0.98 assign (resid 60 and name HN ) (resid 95 and name HB ) 3.67 1.87 1.87 !peak 5386 #SUP 0.81 #QF 0.81 assign (resid 96 and name HG2* ) (resid 97 and name HA ) 4.01 2.21 2.20 !peak 5389 #SUP 0.81 #QF 0.81 assign (resid 96 and name HG1* ) (resid 97 and name HA ) 4.01 2.21 2.20 !peak 5390 #SUP 0.95 #QF 0.73 assign (resid 90 and name HB ) (resid 97 and name HB ) 3.27 1.47 1.47 !peak 5392 #SUP 0.90 #QF 0.90 assign (resid 58 and name HN ) (resid 98 and name HB ) 4.11 2.31 2.31 !peak 5395 #SUP 0.92 #QF 0.92 assign (resid 58 and name HN ) (resid 99 and name HA ) 3.70 1.90 1.90 !peak 5396 #SUP 0.60 #QF 0.60 assign (resid 58 and name HB ) (resid 98 and name HB ) 3.55 1.75 1.75 !peak 5397 #SUP 0.63 #QF 0.63 assign (resid 14 and name HG2* ) (resid 31 and name HN ) 3.06 1.26 1.26 !peak 5446 #SUP 0.53 #QF 0.53 assign (resid 13 and name HA ) (resid 30 and name HG2* ) 2.93 1.13 1.13 !peak 5448 #SUP 0.90 #QF 0.90 assign (resid 38 and name HA ) (resid 74 and name HG2* ) 3.84 2.04 2.04 !peak 5453 #SUP 0.99 #QF 0.96 assign (resid 38 and name HA ) (resid 41 and name HG ) 3.36 1.56 1.56 !peak 5454 #SUP 0.99 #QF 0.99 assign (resid 29 and name HE2 ) (resid 40 and name HB ) 4.29 2.49 2.49 !peak 5458 #SUP 0.99 #QF 0.99 assign (resid 29 and name HE2 ) (resid 40 and name HG2* ) 3.92 2.12 2.12 !peak 5459 #SUP 0.85 #QF 0.85 assign (resid 44 and name HG ) (resid 58 and name HG2* ) 4.35 2.55 2.55 !peak 5467 #SUP 0.99 #QF 0.99 assign (resid 45 and name HD2 ) (resid 81 and name HB2 ) 3.65 1.85 1.85 !peak 5469 #SUP 0.99 #QF 0.91 assign (resid 45 and name HD2 ) (resid 81 and name HB1 ) 3.87 2.07 2.07 !peak 5472 #SUP 1.00 #QF 0.94 assign (resid 47 and name HB2 ) (resid 48 and name HD1* ) 4.10 2.30 2.30 !peak 5475 #SUP 0.99 #QF 0.91 assign (resid 47 and name HB1 ) (resid 48 and name HD1* ) 4.35 2.55 2.55 !peak 5475 #SUP 0.99 #QF 0.91 assign (resid 57 and name HG2 ) (resid 97 and name HG2* ) 3.09 1.29 1.29 !peak 5479 #SUP 0.94 #QF 0.94 assign (resid 57 and name HG1 ) (resid 97 and name HG2* ) 3.09 1.29 1.29 !peak 5480 #SUP 0.79 #QF 0.79 assign (resid 62 and name HB* ) (resid 96 and name HG1* ) 3.68 1.88 1.88 !peak 5483 #SUP 0.90 #QF 0.90 assign (resid 63 and name HB2 ) (resid 64 and name HG2* ) 3.45 1.65 1.65 !peak 5487 #SUP 0.93 #QF 0.93 assign (resid 67 and name HA ) (resid 70 and name HG2 ) 3.66 1.86 1.86 !peak 5492 #SUP 1.00 assign (resid 64 and name HG2* ) (resid 67 and name HA ) 4.26 2.46 2.46 !peak 5493 #SUP 0.88 #QF 0.88 assign (resid 60 and name HG2* ) (resid 68 and name HA ) 3.80 2.00 2.00 !peak 5499 #SUP 0.96 #QF 0.96 assign (resid 69 and name HA ) (resid 91 and name HE1 ) 4.33 2.53 2.53 !peak 5501 #SUP 0.78 #QF 0.78 assign (resid 67 and name HA ) (resid 70 and name HD2 ) 3.98 2.18 2.18 !peak 5504 #SUP 0.97 #QF 0.97 assign (resid 12 and name HB ) (resid 71 and name HZ ) 4.08 2.28 2.28 !peak 5505 #SUP 1.00 assign (resid 74 and name HA ) (resid 77 and name HE2 ) 4.35 2.55 2.55 !peak 5506 #SUP 0.87 #QF 0.77 assign (resid 74 and name HA ) (resid 77 and name HE1 ) 4.35 2.55 2.55 !peak 5506 #SUP 0.87 #QF 0.77 assign (resid 71 and name HB1 ) (resid 74 and name HB ) 3.96 2.16 2.16 !peak 5507 #SUP 0.86 #QF 0.86 assign (resid 74 and name HG2* ) (resid 78 and name HG2* ) 2.86 1.06 1.06 !peak 5508 #SUP 0.91 #QF 0.91 assign (resid 41 and name HG ) (resid 74 and name HG2* ) 3.16 1.36 1.36 !peak 5509 #SUP 0.97 #QF 0.97 assign (resid 78 and name HG2* ) (resid 79 and name HB2 ) 4.35 2.55 2.55 !peak 5516 #SUP 0.87 #QF 0.58 assign (resid 76 and name HG2* ) (resid 80 and name HB* ) 2.80 1.00 1.00 !peak 5518 #SUP 0.98 #QF 0.98 assign (resid 49 and name HB2 ) (resid 82 and name HD1* ) 3.10 1.30 1.30 !peak 5522 #SUP 0.93 #QF 0.93 assign (resid 49 and name HB2 ) (resid 82 and name HD2* ) 2.58 0.78 0.78 !peak 5523 #SUP 0.90 #QF 0.90 assign (resid 49 and name HG1 ) (resid 82 and name HD2* ) 2.80 1.00 1.00 !peak 5525 #SUP 0.82 #QF 0.82 assign (resid 45 and name HG2 ) (resid 82 and name HG ) 3.76 1.96 1.96 !peak 5528 #SUP 0.95 #QF 0.95 assign (resid 80 and name HB* ) (resid 82 and name HG ) 4.35 2.55 2.55 !peak 5529 #SUP 0.88 #QF 0.88 assign (resid 76 and name HG12 ) (resid 87 and name HG2* ) 3.39 1.59 1.59 !peak 5531 #SUP 0.73 #QF 0.73 assign (resid 76 and name HG2* ) (resid 87 and name HG2* ) 3.18 1.38 1.38 !peak 5532 #SUP 0.90 #QF 0.73 assign (resid 76 and name HG11 ) (resid 87 and name HG2* ) 3.39 1.59 1.59 !peak 5532 #SUP 0.90 #QF 0.73 assign (resid 72 and name HA ) (resid 96 and name HG1* ) 3.44 1.64 1.64 !peak 5541 #SUP 0.98 #QF 0.98 assign (resid 8 and name HB1 ) (resid 8 and name HD* ) 2.96 1.16 1.16 !peak 5585 #SUP 1.00 assign (resid 55 and name HA ) (resid 55 and name HD* ) 3.74 1.94 1.94 !peak 5607 #SUP 1.00 assign (resid 55 and name HB* ) (resid 55 and name HD* ) 3.06 1.26 1.26 !peak 5614 #SUP 0.96 #QF 0.90 assign (resid 8 and name HB2 ) (resid 8 and name HD* ) 2.96 1.16 1.16 !peak 5615 #SUP 0.98 #QF 0.98 assign (resid 8 and name HG* ) (resid 8 and name HD* ) 2.57 0.77 0.77 !peak 5616 #SUP 0.99 #QF 0.99 assign (resid 8 and name HB2 ) (resid 8 and name HG* ) 2.58 0.78 0.78 !peak 5619 #SUP 0.90 #QF 0.90 assign (resid 8 and name HB1 ) (resid 8 and name HG* ) 2.58 0.78 0.78 !peak 5621 #SUP 0.84 #QF 0.84 assign (resid 8 and name HA ) (resid 8 and name HD* ) 3.26 1.46 1.46 !peak 5628 #SUP 0.99 #QF 0.99 assign (resid 8 and name HA ) (resid 8 and name HG* ) 2.67 0.87 0.87 !peak 5632 #SUP 0.79 #QF 0.79 assign (resid 37 and name HA ) (resid 40 and name HB ) 3.40 1.60 1.60 !peak 5633 #SUP 0.95 #QF 0.95 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 3.56 1.76 1.76 !peak 5652 #SUP 0.97 #QF 0.97 assign (resid 86 and name HB2 ) (resid 87 and name HN ) 3.56 1.76 1.76 !peak 5653 #SUP 0.95 #QF 0.95 assign (resid 24 and name HA ) (resid 24 and name HG2* ) 3.13 1.33 1.33 !peak 5671 #SUP 1.00 assign (resid 16 and name HN ) (resid 28 and name HG2* ) 3.85 2.05 2.05 !peak 5685 #SUP 0.98 #QF 0.98 assign (resid 14 and name HN ) (resid 30 and name HA ) 2.99 1.19 1.19 !peak 5688 #SUP 0.66 #QF 0.66 assign (resid 36 and name HA ) (resid 39 and name HD2 ) 3.44 1.64 1.64 !peak 5689 #SUP 0.98 #QF 0.93 assign (resid 36 and name HA ) (resid 39 and name HD1 ) 3.44 1.64 1.64 !peak 5689 #SUP 0.98 #QF 0.93 assign (resid 46 and name HB1 ) (resid 47 and name HD2 ) 4.09 2.29 2.29 !peak 5696 #SUP 0.61 #QF 0.61 assign (resid 27 and name HD* ) (resid 48 and name HG11 ) 3.78 1.98 1.98 !peak 5697 #SUP 0.97 #QF 0.24 assign (resid 27 and name HD* ) (resid 48 and name HG12 ) 4.35 2.55 2.55 !peak 5698 #SUP 1.00 #QF 0.61 assign (resid 48 and name HG2* ) (resid 56 and name HB2 ) 3.90 2.10 2.10 !peak 5703 #SUP 0.71 #QF 0.71 assign (resid 48 and name HG2* ) (resid 56 and name HB1 ) 3.90 2.10 2.10 !peak 5704 #SUP 0.48 #QF 0.48 assign (resid 45 and name HA ) (resid 48 and name HG12 ) 4.08 2.28 2.28 !peak 5708 #SUP 0.92 #QF 0.92 assign (resid 29 and name HB2 ) (resid 29 and name HD2 ) 3.05 1.25 1.25 !peak 1383 #SUP 0.94 #QF 0.94 assign (resid 29 and name HB1 ) (resid 29 and name HD2 ) 3.05 1.25 1.25 !peak 1384 #SUP 1.00 assign (resid 47 and name HB2 ) (resid 47 and name HD2 ) 2.76 0.96 0.96 !peak 1942 #SUP 0.92 #QF 0.92 assign (resid 71 and name HA ) (resid 71 and name HD2 ) 2.82 1.02 1.02 !peak 2771 #SUP 0.97 #QF 0.97 assign (resid 71 and name HB1 ) (resid 71 and name HD2 ) 2.79 0.99 0.99 !peak 2773 #SUP 0.97 #QF 0.97 assign (resid 79 and name HA ) (resid 79 and name HD2 ) 3.22 1.42 1.42 !peak 3050 #SUP 0.99 #QF 0.99 assign (resid 84 and name HA ) (resid 84 and name HD2 ) 4.35 2.55 2.55 !peak 3164 #SUP 0.90 #QF 0.90 assign (resid 91 and name HA ) (resid 91 and name HD1 ) 3.15 1.35 1.35 !peak 3282 #SUP 0.80 #QF 0.80 assign (resid 29 and name HE2 ) (resid 44 and name HD1* ) 3.11 1.31 1.31 !peak 4172 #SUP 0.98 #QF 0.59 assign (resid 29 and name HE2 ) (resid 44 and name HD2* ) 3.11 1.31 1.31 !peak 4172 #SUP 0.98 #QF 0.59 assign (resid 29 and name HD2 ) (resid 40 and name HG2* ) 3.14 1.34 1.34 !peak 4173 #SUP 0.93 #QF 0.93 assign (resid 29 and name HE2 ) (resid 40 and name HG1* ) 3.92 2.12 2.12 !peak 4174 #SUP 0.95 #QF 0.95 assign (resid 29 and name HD2 ) (resid 40 and name HG1* ) 3.14 1.34 1.34 !peak 4175 #SUP 1.00 assign (resid 12 and name HD1* ) (resid 71 and name HZ ) 3.00 1.20 1.20 !peak 4540 #SUP 0.88 #QF 0.88 assign (resid 60 and name HG2* ) (resid 71 and name HZ ) 3.80 2.00 2.00 !peak 4542 #SUP 0.90 #QF 0.90 assign (resid 70 and name HG2 ) (resid 71 and name HD2 ) 3.49 1.69 1.69 !peak 4543 #SUP 0.71 #QF 0.71 assign (resid 71 and name HD2 ) (resid 74 and name HD1* ) 2.92 1.12 1.12 !peak 4544 #SUP 0.96 #QF 0.96 assign (resid 60 and name HG2* ) (resid 71 and name HD2 ) 2.95 1.15 1.15 !peak 4545 #SUP 0.98 #QF 0.98 assign (resid 58 and name HB ) (resid 79 and name HE2 ) 3.28 1.48 1.48 !peak 4935 #SUP 0.71 #QF 0.71 assign (resid 75 and name HD1* ) (resid 79 and name HE2 ) 3.88 2.08 2.08 !peak 4941 #SUP 0.72 #QF 0.72 assign (resid 29 and name HE2 ) (resid 44 and name HA ) 3.52 1.72 1.72 !peak 4975 #SUP 0.59 #QF 0.59 assign (resid 14 and name HB ) (resid 29 and name HD2 ) 2.96 1.16 1.16 !peak 4976 #SUP 0.99 #QF 0.99 assign (resid 14 and name HG1* ) (resid 29 and name HD2 ) 2.83 1.03 1.03 !peak 4977 #SUP 0.92 #QF 0.31 assign (resid 29 and name HE2 ) (resid 44 and name HB1 ) 3.60 1.80 1.80 !peak 4979 #SUP 0.89 #QF 0.89 assign (resid 29 and name HE2 ) (resid 44 and name HB2 ) 3.60 1.80 1.80 !peak 4980 #SUP 0.88 #QF 0.88 assign (resid 29 and name HN ) (resid 29 and name HD2 ) 3.07 1.27 1.27 !peak 4983 #SUP 0.89 #QF 0.89 assign (resid 46 and name HB2 ) (resid 47 and name HD2 ) 3.38 1.58 1.58 !peak 4985 #SUP 0.43 #QF 0.43 assign (resid 12 and name HG11 ) (resid 71 and name HZ ) 3.49 1.69 1.69 !peak 4996 #SUP 0.63 #QF 0.63 assign (resid 34 and name HG2 ) (resid 71 and name HZ ) 3.69 1.89 1.89 !peak 4998 #SUP 0.96 #QF 0.96 assign (resid 37 and name HD1* ) (resid 71 and name HE2 ) 3.92 2.12 2.12 !peak 5000 #SUP 0.98 #QF 0.98 assign (resid 71 and name HE2 ) (resid 74 and name HD1* ) 3.40 1.60 1.60 !peak 5001 #SUP 0.90 #QF 0.90 assign (resid 70 and name HG1 ) (resid 71 and name HE2 ) 3.44 1.64 1.64 !peak 5002 #SUP 0.95 #QF 0.95 assign (resid 37 and name HD1* ) (resid 71 and name HD2 ) 3.65 1.85 1.85 !peak 5003 #SUP 0.98 #QF 0.98 assign (resid 12 and name HD1* ) (resid 71 and name HD2 ) 3.57 1.77 1.77 !peak 5005 #SUP 0.83 #QF 0.83 assign (resid 48 and name HD1* ) (resid 79 and name HD2 ) 3.75 1.95 1.95 !peak 5007 #SUP 0.77 #QF 0.77 assign (resid 91 and name HD1 ) (resid 96 and name HB ) 3.44 1.64 1.64 !peak 5012 #SUP 0.40 #QF 0.40 assign (resid 91 and name HD1 ) (resid 92 and name HN ) 3.64 1.84 1.84 !peak 5015 #SUP 0.57 #QF 0.57 assign (resid 27 and name HD* ) (resid 44 and name HG ) 3.55 1.75 1.74 !peak 5035 #SUP 0.76 #QF 0.76 assign (resid 27 and name HE* ) (resid 48 and name HB ) 3.72 1.92 1.92 !peak 5038 #SUP 0.80 #QF 0.80 assign (resid 8 and name HB* ) (resid 8 and name HD* ) 2.70 0.90 0.90 !peak 5615 assign (resid 11 and name HN ) (resid 11 and name HB* ) 2.55 0.75 0.75 !peak 5352 assign (resid 11 and name HB* ) (resid 12 and name HN ) 2.65 0.85 0.85 !peak 4 assign (resid 11 and name HB* ) (resid 30 and name HA ) 4.02 2.22 2.22 !peak 4976 assign (resid 11 and name HB* ) (resid 30 and name HB ) 4.15 2.35 2.35 !peak 4179 assign (resid 11 and name HB* ) (resid 30 and name HG2* ) 2.75 0.95 0.95 !peak 4048 assign (resid 11 and name HB* ) (resid 31 and name HN ) 3.71 1.91 1.91 !peak 4049 assign (resid 12 and name HD1* ) (resid 37 and name HD* ) 3.00 1.20 1.20 !peak 4891 assign (resid 13 and name HN ) (resid 13 and name HB* ) 2.93 1.13 1.13 !peak 545 assign (resid 13 and name HB* ) (resid 13 and name HE* ) 3.32 1.52 1.51 !peak 1204 assign (resid 13 and name HB* ) (resid 14 and name HN ) 3.18 1.38 1.38 !peak 3559 assign (resid 13 and name HB* ) (resid 30 and name HG2* ) 3.21 1.41 1.41 !peak 4082 assign (resid 13 and name HB* ) (resid 61 and name HB ) 3.36 1.56 1.56 !peak 4448 assign (resid 13 and name HG* ) (resid 13 and name HE* ) 2.71 0.91 0.91 !peak 466 assign (resid 13 and name HG* ) (resid 14 and name HN ) 3.09 1.29 1.28 !peak 17 assign (resid 13 and name HG* ) (resid 14 and name HG1* ) 4.24 2.44 2.44 !peak 4996 assign (resid 13 and name HG* ) (resid 14 and name HG2* ) 4.21 2.41 2.41 !peak 4996 assign (resid 13 and name HG* ) (resid 28 and name HG2* ) 3.30 1.50 1.50 !peak 4994 assign (resid 13 and name HG* ) (resid 30 and name HG2* ) 3.53 1.73 1.73 !peak 4994 assign (resid 13 and name HE* ) (resid 28 and name HG2* ) 3.04 1.24 1.24 !peak 4087 assign (resid 13 and name HE* ) (resid 30 and name HG2* ) 3.84 2.04 2.04 !peak 4088 assign (resid 14 and name HB ) (resid 29 and name HB* ) 3.22 1.42 1.42 !peak 4094 assign (resid 14 and name HB ) (resid 40 and name HG* ) 4.17 2.37 2.37 !peak 5141 assign (resid 14 and name HG1* ) (resid 15 and name HB* ) 3.77 1.97 1.97 !peak 4124 assign (resid 14 and name HG1* ) (resid 15 and name HG* ) 3.88 2.08 2.08 !peak 4126 assign (resid 14 and name HG1* ) (resid 40 and name HG* ) 3.07 1.27 1.27 !peak 4099 assign (resid 14 and name HG1* ) (resid 60 and name HG1* ) 2.70 0.90 0.90 !peak 4101 assign (resid 14 and name HG2* ) (resid 29 and name HB* ) 3.38 1.58 1.58 !peak 4169 assign (resid 14 and name HG2* ) (resid 37 and name HD* ) 3.18 1.38 1.38 !peak 5009 assign (resid 14 and name HG2* ) (resid 40 and name HG* ) 2.96 1.16 1.16 !peak 5008 assign (resid 14 and name HG2* ) (resid 60 and name HG1* ) 2.94 1.14 1.14 !peak 4437 assign (resid 15 and name HN ) (resid 15 and name HG* ) 3.20 1.40 1.40 !peak 560 assign (resid 15 and name HN ) (resid 59 and name HB* ) 3.42 1.62 1.62 !peak 4111 assign (resid 15 and name HN ) (resid 60 and name HG1* ) 3.34 1.54 1.54 !peak 4119 assign (resid 15 and name HA ) (resid 15 and name HG* ) 2.86 1.06 1.06 !peak 1267 assign (resid 15 and name HA ) (resid 15 and name HE* ) 3.46 1.66 1.66 !peak 1249 assign (resid 15 and name HA ) (resid 44 and name HD* ) 4.30 2.50 2.50 !peak 5693 assign (resid 15 and name HA ) (resid 59 and name HB* ) 4.06 2.26 2.26 !peak 4393 assign (resid 15 and name HB* ) (resid 15 and name HG* ) 2.21 0.41 0.41 !peak 1276 assign (resid 15 and name HB* ) (resid 15 and name HE* ) 3.27 1.47 1.47 !peak 481 assign (resid 15 and name HB* ) (resid 16 and name HN ) 3.32 1.52 1.52 !peak 27 assign (resid 15 and name HB* ) (resid 28 and name HG2* ) 3.25 1.45 1.45 !peak 4810 assign (resid 15 and name HB* ) (resid 59 and name HB* ) 2.92 1.12 1.12 !peak 4113 assign (resid 15 and name HB* ) (resid 95 and name HG2* ) 4.03 2.23 2.23 !peak 4123 assign (resid 15 and name HG* ) (resid 15 and name HE* ) 2.69 0.89 0.89 !peak 491 assign (resid 15 and name HG* ) (resid 16 and name HN ) 3.25 1.45 1.45 !peak 3570 assign (resid 15 and name HG* ) (resid 28 and name HA ) 3.48 1.68 1.68 !peak 4158 assign (resid 15 and name HG* ) (resid 28 and name HB ) 3.79 1.99 1.99 !peak 4116 assign (resid 15 and name HG* ) (resid 28 and name HG2* ) 2.74 0.94 0.94 !peak 4125 assign (resid 15 and name HG* ) (resid 59 and name HB* ) 3.41 1.61 1.61 !peak 4115 assign (resid 15 and name HE* ) (resid 28 and name HG2* ) 3.17 1.37 1.37 !peak 4127 assign (resid 16 and name HN ) (resid 16 and name HB* ) 2.99 1.19 1.19 !peak 566 assign (resid 16 and name HA ) (resid 16 and name HD2* ) 3.19 1.39 1.39 !peak 399 assign (resid 16 and name HA ) (resid 44 and name HD* ) 3.83 2.03 2.03 !peak 4135 assign (resid 16 and name HB* ) (resid 17 and name HN ) 3.23 1.43 1.43 !peak 36 assign (resid 16 and name HB* ) (resid 44 and name HD* ) 2.97 1.17 1.17 !peak 4137 assign (resid 16 and name HB* ) (resid 48 and name HG12 ) 4.24 2.44 2.44 !peak 5707 assign (resid 16 and name HB* ) (resid 58 and name HA ) 3.84 2.04 2.04 !peak 4130 assign (resid 16 and name HB* ) (resid 58 and name HG2* ) 3.04 1.24 1.24 !peak 4375 assign (resid 16 and name HD2* ) (resid 17 and name HN ) 3.19 1.39 1.39 !peak 37 assign (resid 16 and name HD2* ) (resid 44 and name HD* ) 3.36 1.56 1.56 !peak 4288 assign (resid 16 and name HD2* ) (resid 48 and name HG2* ) 3.50 1.70 1.70 !peak 5205 assign (resid 16 and name HD2* ) (resid 48 and name HG12 ) 3.90 2.10 2.10 !peak 5702 assign (resid 16 and name HD2* ) (resid 48 and name HD1* ) 3.55 1.75 1.75 !peak 5676 assign (resid 16 and name HD2* ) (resid 58 and name HA ) 3.64 1.84 1.84 !peak 4363 assign (resid 16 and name HD2* ) (resid 58 and name HB ) 3.66 1.86 1.86 !peak 4944 assign (resid 16 and name HD2* ) (resid 58 and name HG2* ) 3.28 1.48 1.48 !peak 4364 assign (resid 17 and name HN ) (resid 57 and name HB* ) 3.40 1.60 1.60 !peak 4142 assign (resid 17 and name HN ) (resid 57 and name HG* ) 4.04 2.24 2.24 !peak 4143 assign (resid 17 and name HA ) (resid 18 and name HD2* ) 4.24 2.44 2.44 !peak 429 assign (resid 17 and name HB* ) (resid 18 and name HN ) 3.35 1.55 1.55 !peak 42 assign (resid 17 and name HB* ) (resid 57 and name HN ) 3.72 1.92 1.92 !peak 5679 assign (resid 17 and name HB* ) (resid 57 and name HB* ) 2.95 1.15 1.15 !peak 4150 assign (resid 17 and name HB* ) (resid 57 and name HG* ) 3.38 1.58 1.58 !peak 4987 assign (resid 17 and name HB* ) (resid 57 and name HD* ) 3.84 2.04 2.04 !peak 5219 assign (resid 17 and name HB* ) (resid 58 and name HA ) 4.02 2.22 2.22 !peak 4373 assign (resid 18 and name HN ) (resid 18 and name HD2* ) 4.24 2.44 2.44 !peak 580 assign (resid 18 and name HA ) (resid 56 and name HB* ) 3.99 2.19 2.19 !peak 4963 assign (resid 18 and name HB* ) (resid 48 and name HG2* ) 3.65 1.85 1.85 !peak 5705 assign (resid 18 and name HD2* ) (resid 48 and name HG2* ) 3.92 2.12 2.12 !peak 4343 assign (resid 27 and name HD* ) (resid 44 and name HD* ) 2.90 1.10 1.10 !peak 4994 assign (resid 27 and name HE* ) (resid 44 and name HD* ) 3.26 1.46 1.46 !peak 5036 assign (resid 28 and name HA ) (resid 44 and name HD* ) 4.30 2.50 2.50 !peak 4156 assign (resid 29 and name HB* ) (resid 29 and name HE2 ) 3.45 1.65 1.65 !peak 4973 assign (resid 29 and name HB* ) (resid 29 and name HD2 ) 2.67 0.87 0.87 !peak 1383 assign (resid 29 and name HB* ) (resid 31 and name HG1* ) 3.32 1.52 1.52 !peak 4200 assign (resid 29 and name HB* ) (resid 40 and name HG* ) 3.29 1.49 1.49 !peak 4171 assign (resid 29 and name HE2 ) (resid 40 and name HG* ) 3.32 1.52 1.51 !peak 4174 assign (resid 29 and name HE2 ) (resid 44 and name HB* ) 3.15 1.35 1.35 !peak 4979 assign (resid 29 and name HE2 ) (resid 44 and name HD* ) 2.81 1.01 1.01 !peak 4172 assign (resid 29 and name HD2 ) (resid 44 and name HD* ) 3.30 1.50 1.50 !peak 4289 assign (resid 31 and name HN ) (resid 37 and name HD* ) 4.06 2.26 2.26 !peak 4260 assign (resid 31 and name HN ) (resid 40 and name HG* ) 4.30 2.50 2.50 !peak 5047 assign (resid 31 and name HB ) (resid 37 and name HD* ) 3.92 2.12 2.12 !peak 5087 assign (resid 31 and name HG1* ) (resid 36 and name HG* ) 3.22 1.42 1.42 !peak 4246 assign (resid 31 and name HG1* ) (resid 37 and name HD* ) 3.23 1.43 1.43 !peak 4213 assign (resid 31 and name HG1* ) (resid 40 and name HG* ) 2.53 0.73 0.73 !peak 1410 assign (resid 31 and name HG2* ) (resid 37 and name HD* ) 2.84 1.04 1.04 !peak 4215 assign (resid 31 and name HG2* ) (resid 40 and name HG* ) 3.34 1.54 1.54 !peak 4216 assign (resid 33 and name HN ) (resid 36 and name HG* ) 3.56 1.76 1.76 !peak 5125 assign (resid 33 and name HG2* ) (resid 34 and name HG* ) 3.27 1.47 1.47 !peak 5082 assign (resid 33 and name HG2* ) (resid 35 and name HB* ) 3.47 1.67 1.67 !peak 5449 assign (resid 33 and name HG2* ) (resid 36 and name HG* ) 3.38 1.58 1.58 !peak 5069 assign (resid 34 and name HA ) (resid 34 and name HG* ) 2.76 0.96 0.96 !peak 5102 assign (resid 34 and name HA ) (resid 37 and name HD* ) 3.40 1.60 1.60 !peak 5117 assign (resid 34 and name HG* ) (resid 37 and name HD* ) 4.19 2.39 2.39 !peak 5088 assign (resid 34 and name HG* ) (resid 71 and name HZ ) 3.29 1.49 1.49 !peak 4998 assign (resid 34 and name HG* ) (resid 71 and name HE2 ) 3.26 1.46 1.46 !peak 5122 assign (resid 35 and name HA ) (resid 38 and name HB* ) 2.86 1.06 1.06 !peak 3881 assign (resid 35 and name HA ) (resid 38 and name HG* ) 3.88 2.08 2.08 !peak 5075 assign (resid 35 and name HB* ) (resid 36 and name HN ) 2.90 1.10 1.10 !peak 68 assign (resid 35 and name HB* ) (resid 36 and name HG* ) 4.09 2.29 2.29 !peak 5074 assign (resid 35 and name HB* ) (resid 38 and name HB* ) 3.60 1.80 1.80 !peak 4231 assign (resid 35 and name HB* ) (resid 38 and name HG* ) 3.91 2.11 2.11 !peak 5136 assign (resid 36 and name HN ) (resid 36 and name HG* ) 2.82 1.02 1.02 !peak 608 assign (resid 36 and name HN ) (resid 40 and name HG* ) 4.30 2.50 2.50 !peak 4237 assign (resid 36 and name HA ) (resid 36 and name HG* ) 2.86 1.06 1.06 !peak 1463 assign (resid 36 and name HA ) (resid 39 and name HB* ) 2.92 1.12 1.12 !peak 3889 assign (resid 36 and name HA ) (resid 39 and name HG* ) 3.90 2.10 2.10 !peak 5084 assign (resid 36 and name HA ) (resid 39 and name HD* ) 2.99 1.19 1.19 !peak 5689 assign (resid 36 and name HA ) (resid 39 and name HE* ) 3.80 2.00 2.00 !peak 5690 assign (resid 36 and name HB2 ) (resid 36 and name HG* ) 2.33 0.53 0.53 !peak 1479 assign (resid 36 and name HB1 ) (resid 36 and name HG* ) 2.40 0.60 0.60 !peak 1486 assign (resid 36 and name HB1 ) (resid 40 and name HG* ) 3.69 1.89 1.89 !peak 4243 assign (resid 36 and name HG* ) (resid 37 and name HN ) 3.51 1.71 1.71 !peak 73 assign (resid 37 and name HN ) (resid 41 and name HD* ) 4.30 2.50 2.50 !peak 4887 assign (resid 37 and name HA ) (resid 37 and name HD* ) 2.68 0.88 0.88 !peak 1525 assign (resid 37 and name HA ) (resid 40 and name HG* ) 3.14 1.34 1.34 !peak 5146 assign (resid 37 and name HB2 ) (resid 40 and name HG* ) 4.30 2.50 2.50 !peak 5141 assign (resid 37 and name HB1 ) (resid 41 and name HD* ) 3.69 1.89 1.89 !peak 4885 assign (resid 37 and name HG ) (resid 41 and name HD* ) 3.72 1.92 1.92 !peak 4886 assign (resid 37 and name HD* ) (resid 38 and name HN ) 3.37 1.57 1.57 !peak 81 assign (resid 37 and name HD* ) (resid 38 and name HA ) 3.71 1.91 1.91 !peak 4262 assign (resid 37 and name HD* ) (resid 38 and name HG* ) 3.88 2.08 2.08 !peak 5087 assign (resid 37 and name HD* ) (resid 40 and name HN ) 3.55 1.75 1.75 !peak 4249 assign (resid 37 and name HD* ) (resid 40 and name HB ) 3.56 1.76 1.76 !peak 5452 assign (resid 37 and name HD* ) (resid 41 and name HN ) 3.70 1.90 1.90 !peak 4259 assign (resid 37 and name HD* ) (resid 41 and name HG ) 3.27 1.47 1.47 !peak 4254 assign (resid 37 and name HD* ) (resid 41 and name HD* ) 2.91 1.11 1.11 !peak 4892 assign (resid 37 and name HD* ) (resid 60 and name HG2* ) 2.94 1.14 1.14 !peak 5224 assign (resid 37 and name HD* ) (resid 60 and name HG1* ) 3.40 1.60 1.60 !peak 5450 assign (resid 37 and name HD* ) (resid 60 and name HD1* ) 3.07 1.27 1.27 !peak 5223 assign (resid 37 and name HD* ) (resid 71 and name HE2 ) 3.15 1.35 1.35 !peak 5000 assign (resid 37 and name HD* ) (resid 71 and name HD2 ) 3.15 1.35 1.35 !peak 5003 assign (resid 37 and name HD* ) (resid 74 and name HG2* ) 3.71 1.91 1.91 !peak 4893 assign (resid 37 and name HD* ) (resid 74 and name HD1* ) 3.44 1.64 1.64 !peak 4894 assign (resid 38 and name HN ) (resid 38 and name HB* ) 2.53 0.73 0.73 !peak 620 assign (resid 38 and name HN ) (resid 38 and name HG* ) 3.25 1.45 1.45 !peak 621 assign (resid 38 and name HN ) (resid 39 and name HD* ) 3.33 1.53 1.53 !peak 2047 assign (resid 38 and name HN ) (resid 40 and name HG* ) 3.91 2.11 2.11 !peak 5132 assign (resid 38 and name HN ) (resid 41 and name HD* ) 4.10 2.30 2.30 !peak 5132 assign (resid 38 and name HA ) (resid 38 and name HG* ) 2.92 1.12 1.12 !peak 1556 assign (resid 38 and name HA ) (resid 41 and name HD* ) 3.15 1.35 1.35 !peak 4882 assign (resid 38 and name HB* ) (resid 38 and name HE* ) 3.24 1.44 1.44 !peak 3609 assign (resid 38 and name HB* ) (resid 39 and name HN ) 3.03 1.23 1.23 !peak 85 assign (resid 38 and name HB* ) (resid 40 and name HN ) 4.24 2.44 2.44 !peak 5130 assign (resid 38 and name HB* ) (resid 41 and name HD* ) 3.94 2.14 2.14 !peak 4264 assign (resid 38 and name HB* ) (resid 42 and name HN ) 4.24 2.44 2.44 !peak 5130 assign (resid 38 and name HG* ) (resid 39 and name HN ) 3.46 1.66 1.66 !peak 86 assign (resid 38 and name HG* ) (resid 74 and name HG2* ) 4.24 2.44 2.44 !peak 4265 assign (resid 38 and name HG* ) (resid 74 and name HD1* ) 4.24 2.44 2.44 !peak 4265 assign (resid 39 and name HN ) (resid 39 and name HB* ) 2.43 0.63 0.63 !peak 627 assign (resid 39 and name HN ) (resid 39 and name HG* ) 3.12 1.32 1.32 !peak 1601 assign (resid 39 and name HN ) (resid 39 and name HD* ) 3.18 1.38 1.38 !peak 632 assign (resid 39 and name HN ) (resid 39 and name HE* ) 3.82 2.02 2.02 !peak 1641 assign (resid 39 and name HN ) (resid 40 and name HG* ) 3.56 1.76 1.76 !peak 4267 assign (resid 39 and name HA ) (resid 39 and name HB* ) 2.39 0.60 0.60 !peak 1573 assign (resid 39 and name HA ) (resid 39 and name HD* ) 3.19 1.39 1.39 !peak 2048 assign (resid 39 and name HA ) (resid 39 and name HE* ) 3.25 1.45 1.45 !peak 2058 assign (resid 39 and name HA ) (resid 40 and name HG* ) 3.90 2.10 2.10 !peak 4269 assign (resid 39 and name HA ) (resid 42 and name HB* ) 2.98 1.18 1.18 !peak 3905 assign (resid 39 and name HA ) (resid 42 and name HD2* ) 3.40 1.60 1.60 !peak 4283 assign (resid 39 and name HB* ) (resid 39 and name HD* ) 2.47 0.67 0.67 !peak 1633 assign (resid 39 and name HB* ) (resid 39 and name HE* ) 3.50 1.70 1.70 !peak 1600 assign (resid 39 and name HB* ) (resid 40 and name HN ) 2.74 0.94 0.94 !peak 93 assign (resid 39 and name HB* ) (resid 40 and name HA ) 3.57 1.77 1.77 !peak 3914 assign (resid 39 and name HB* ) (resid 40 and name HG* ) 3.46 1.66 1.66 !peak 4271 assign (resid 39 and name HG* ) (resid 39 and name HD* ) 2.16 0.37 0.37 !peak 1635 assign (resid 39 and name HG* ) (resid 39 and name HE* ) 2.53 0.73 0.73 !peak 1646 assign (resid 39 and name HD* ) (resid 40 and name HN ) 3.34 1.54 1.54 !peak 97 assign (resid 39 and name HD* ) (resid 40 and name HG* ) 3.85 2.05 2.05 !peak 4273 assign (resid 40 and name HN ) (resid 40 and name HG* ) 2.63 0.83 0.83 !peak 639 assign (resid 40 and name HA ) (resid 43 and name HB* ) 3.35 1.55 1.55 !peak 3912 assign (resid 40 and name HA ) (resid 43 and name HG* ) 3.65 1.85 1.85 !peak 4286 assign (resid 40 and name HB ) (resid 43 and name HG* ) 3.61 1.81 1.81 !peak 5138 assign (resid 40 and name HG* ) (resid 41 and name HN ) 3.19 1.39 1.39 !peak 103 assign (resid 40 and name HG* ) (resid 41 and name HA ) 4.13 2.33 2.33 !peak 5145 assign (resid 40 and name HG* ) (resid 41 and name HD* ) 2.87 1.07 1.07 !peak 1675 assign (resid 40 and name HG* ) (resid 44 and name HG ) 4.30 2.50 2.50 !peak 5172 assign (resid 40 and name HG* ) (resid 44 and name HD* ) 3.23 1.43 1.43 !peak 4294 assign (resid 41 and name HN ) (resid 41 and name HD* ) 2.99 1.19 1.19 !peak 646 assign (resid 41 and name HA ) (resid 41 and name HD* ) 2.44 0.64 0.64 !peak 1717 assign (resid 41 and name HA ) (resid 44 and name HB* ) 2.67 0.87 0.87 !peak 3919 assign (resid 41 and name HA ) (resid 44 and name HD* ) 2.84 1.04 1.04 !peak 5692 assign (resid 41 and name HB1 ) (resid 41 and name HD* ) 2.67 0.87 0.87 !peak 1719 assign (resid 41 and name HD* ) (resid 42 and name HN ) 3.46 1.66 1.66 !peak 3630 assign (resid 41 and name HD* ) (resid 44 and name HB* ) 3.09 1.29 1.29 !peak 5462 assign (resid 41 and name HD* ) (resid 58 and name HG2* ) 3.05 1.25 1.25 !peak 4382 assign (resid 41 and name HD* ) (resid 74 and name HA ) 3.34 1.54 1.54 !peak 5162 assign (resid 41 and name HD* ) (resid 74 and name HB ) 3.40 1.60 1.60 !peak 4588 assign (resid 41 and name HD* ) (resid 74 and name HG2* ) 2.57 0.77 0.77 !peak 5155 assign (resid 41 and name HD* ) (resid 74 and name HD1* ) 3.24 1.44 1.44 !peak 4593 assign (resid 41 and name HD* ) (resid 75 and name HN ) 3.30 1.50 1.50 !peak 4608 assign (resid 41 and name HD* ) (resid 75 and name HA ) 3.09 1.29 1.28 !peak 4595 assign (resid 41 and name HD* ) (resid 75 and name HG ) 3.44 1.64 1.64 !peak 5463 assign (resid 41 and name HD* ) (resid 75 and name HD* ) 2.69 0.89 0.89 !peak 4601 assign (resid 41 and name HD* ) (resid 78 and name HB ) 3.69 1.89 1.89 !peak 5464 assign (resid 41 and name HD* ) (resid 78 and name HG2* ) 2.61 0.81 0.81 !peak 4817 assign (resid 41 and name HD* ) (resid 79 and name HE2 ) 3.95 2.15 2.15 !peak 4942 assign (resid 41 and name HD* ) (resid 79 and name HD2 ) 4.21 2.41 2.41 !peak 4937 assign (resid 42 and name HN ) (resid 42 and name HB* ) 2.69 0.89 0.89 !peak 649 assign (resid 42 and name HN ) (resid 43 and name HB* ) 3.92 2.12 2.12 !peak 4285 assign (resid 42 and name HA ) (resid 45 and name HE* ) 3.23 1.43 1.43 !peak 4323 assign (resid 42 and name HB* ) (resid 42 and name HD2* ) 2.59 0.79 0.79 !peak 446 assign (resid 42 and name HB* ) (resid 43 and name HN ) 2.87 1.07 1.07 !peak 114 assign (resid 43 and name HN ) (resid 43 and name HB* ) 2.62 0.83 0.83 !peak 655 assign (resid 43 and name HN ) (resid 43 and name HG* ) 3.11 1.31 1.31 !peak 658 assign (resid 43 and name HB* ) (resid 43 and name HG* ) 2.22 0.42 0.42 !peak 1767 assign (resid 43 and name HB* ) (resid 44 and name HN ) 3.32 1.52 1.51 !peak 3635 assign (resid 44 and name HN ) (resid 44 and name HD* ) 3.65 1.85 1.85 !peak 1799 assign (resid 44 and name HA ) (resid 44 and name HD* ) 2.84 1.04 1.04 !peak 1777 assign (resid 44 and name HB* ) (resid 45 and name HN ) 2.88 1.08 1.08 !peak 126 assign (resid 44 and name HB* ) (resid 58 and name HG2* ) 4.13 2.33 2.33 !peak 5468 assign (resid 44 and name HB* ) (resid 78 and name HG1* ) 3.71 1.91 1.91 !peak 4297 assign (resid 44 and name HD* ) (resid 45 and name HN ) 3.36 1.56 1.56 !peak 130 assign (resid 44 and name HD* ) (resid 47 and name HN ) 3.58 1.78 1.78 !peak 4287 assign (resid 44 and name HD* ) (resid 47 and name HB2 ) 3.43 1.63 1.63 !peak 4301 assign (resid 44 and name HD* ) (resid 47 and name HB1 ) 3.76 1.96 1.96 !peak 4301 assign (resid 44 and name HD* ) (resid 48 and name HN ) 3.73 1.93 1.93 !peak 4330 assign (resid 44 and name HD* ) (resid 48 and name HG12 ) 3.14 1.34 1.34 !peak 4293 assign (resid 44 and name HD* ) (resid 48 and name HG11 ) 3.30 1.50 1.50 !peak 4298 assign (resid 44 and name HD* ) (resid 48 and name HD1* ) 3.20 1.40 1.40 !peak 4331 assign (resid 44 and name HD* ) (resid 58 and name HA ) 4.30 2.50 2.50 !peak 4372 assign (resid 44 and name HD* ) (resid 58 and name HG2* ) 3.25 1.45 1.45 !peak 4293 assign (resid 45 and name HN ) (resid 45 and name HE* ) 4.24 2.44 2.43 !peak 1883 assign (resid 45 and name HA ) (resid 45 and name HE* ) 3.87 2.07 2.07 !peak 1894 assign (resid 45 and name HB1 ) (resid 45 and name HE* ) 3.05 1.25 1.25 !peak 1896 assign (resid 45 and name HG2 ) (resid 45 and name HE* ) 2.80 1.00 1.00 !peak 1897 assign (resid 45 and name HD2 ) (resid 81 and name HG* ) 3.60 1.80 1.80 !peak 4671 assign (resid 45 and name HD1 ) (resid 81 and name HG* ) 3.87 2.07 2.07 !peak 4671 assign (resid 45 and name HE* ) (resid 46 and name HN ) 3.47 1.67 1.67 !peak 3653 assign (resid 45 and name HE* ) (resid 78 and name HG1* ) 3.74 1.94 1.94 !peak 5180 assign (resid 45 and name HE* ) (resid 78 and name HG2* ) 3.80 2.00 2.00 !peak 4841 assign (resid 45 and name HE* ) (resid 81 and name HB2 ) 3.99 2.19 2.19 !peak 5470 assign (resid 45 and name HE* ) (resid 81 and name HB1 ) 3.72 1.92 1.92 !peak 5473 assign (resid 45 and name HE* ) (resid 82 and name HD2* ) 3.59 1.79 1.79 !peak 5179 assign (resid 47 and name HA ) (resid 50 and name HB* ) 2.90 1.10 1.10 !peak 3959 assign (resid 47 and name HA ) (resid 50 and name HE* ) 3.39 1.59 1.59 !peak 5209 assign (resid 49 and name HN ) (resid 49 and name HE* ) 4.24 2.44 2.44 !peak 2067 assign (resid 49 and name HA ) (resid 49 and name HD* ) 3.63 1.83 1.83 !peak 2048 assign (resid 49 and name HA ) (resid 49 and name HE* ) 4.24 2.44 2.44 !peak 1652 assign (resid 49 and name HB2 ) (resid 49 and name HE* ) 3.25 1.45 1.45 !peak 1644 assign (resid 49 and name HB1 ) (resid 49 and name HD* ) 2.60 0.80 0.80 !peak 2049 assign (resid 49 and name HB1 ) (resid 49 and name HE* ) 3.53 1.73 1.73 !peak 2059 assign (resid 49 and name HG1 ) (resid 49 and name HE* ) 2.71 0.91 0.91 !peak 2072 assign (resid 49 and name HD* ) (resid 82 and name HD2* ) 2.98 1.18 1.18 !peak 4859 assign (resid 49 and name HE* ) (resid 82 and name HD1* ) 3.57 1.77 1.77 !peak 5478 assign (resid 49 and name HE* ) (resid 82 and name HD2* ) 3.07 1.27 1.27 !peak 4857 assign (resid 50 and name HN ) (resid 50 and name HB* ) 2.49 0.69 0.69 !peak 705 assign (resid 50 and name HN ) (resid 50 and name HG* ) 3.77 1.97 1.97 !peak 2117 assign (resid 50 and name HN ) (resid 50 and name HD* ) 4.24 2.44 2.44 !peak 710 assign (resid 50 and name HN ) (resid 50 and name HE* ) 4.24 2.44 2.44 !peak 711 assign (resid 50 and name HA ) (resid 50 and name HG* ) 2.96 1.16 1.16 !peak 2118 assign (resid 50 and name HA ) (resid 50 and name HD* ) 3.53 1.73 1.73 !peak 2084 assign (resid 50 and name HB* ) (resid 50 and name HD* ) 2.81 1.01 1.01 !peak 2094 assign (resid 50 and name HB* ) (resid 50 and name HE* ) 3.10 1.30 1.30 !peak 1895 assign (resid 50 and name HB* ) (resid 51 and name HN ) 2.82 1.02 1.02 !peak 171 assign (resid 50 and name HG* ) (resid 50 and name HE* ) 2.78 0.98 0.98 !peak 2528 assign (resid 50 and name HG* ) (resid 51 and name HN ) 3.75 1.95 1.95 !peak 3788 assign (resid 51 and name HN ) (resid 51 and name HB* ) 2.75 0.95 0.95 !peak 716 assign (resid 51 and name HN ) (resid 51 and name HG* ) 3.15 1.35 1.35 !peak 3785 assign (resid 51 and name HN ) (resid 51 and name HE* ) 3.93 2.13 2.13 !peak 518 assign (resid 51 and name HA ) (resid 51 and name HG* ) 2.75 0.95 0.95 !peak 2926 assign (resid 51 and name HB* ) (resid 51 and name HG* ) 2.25 0.45 0.45 !peak 2202 assign (resid 55 and name HG* ) (resid 99 and name HG* ) 3.23 1.43 1.43 !peak 4921 assign (resid 56 and name HN ) (resid 99 and name HG* ) 3.55 1.75 1.74 !peak 5598 assign (resid 57 and name HN ) (resid 57 and name HG* ) 3.64 1.84 1.84 !peak 5682 assign (resid 57 and name HA ) (resid 57 and name HD* ) 3.63 1.83 1.83 !peak 2249 assign (resid 57 and name HA ) (resid 99 and name HB* ) 3.88 2.08 2.08 !peak 4915 assign (resid 57 and name HB* ) (resid 57 and name HD* ) 2.74 0.94 0.94 !peak 2250 assign (resid 57 and name HB* ) (resid 58 and name HN ) 3.26 1.46 1.46 !peak 3688 assign (resid 57 and name HB* ) (resid 97 and name HG2* ) 3.18 1.38 1.38 !peak 4746 assign (resid 57 and name HB* ) (resid 99 and name HA ) 3.71 1.91 1.91 !peak 4355 assign (resid 57 and name HB* ) (resid 99 and name HB* ) 3.39 1.59 1.59 !peak 5217 assign (resid 57 and name HB* ) (resid 99 and name HG* ) 3.18 1.38 1.38 !peak 5701 assign (resid 57 and name HG* ) (resid 58 and name HN ) 3.44 1.64 1.64 !peak 181 assign (resid 57 and name HG* ) (resid 97 and name HG2* ) 2.72 0.92 0.92 !peak 5479 assign (resid 57 and name HG* ) (resid 99 and name HB* ) 3.22 1.42 1.42 !peak 4924 assign (resid 57 and name HG* ) (resid 99 and name HG* ) 3.19 1.39 1.39 !peak 4920 assign (resid 57 and name HD* ) (resid 97 and name HG2* ) 2.85 1.05 1.05 !peak 4743 assign (resid 57 and name HD* ) (resid 99 and name HB* ) 3.88 2.08 2.08 !peak 5218 assign (resid 58 and name HN ) (resid 75 and name HD* ) 3.46 1.66 1.66 !peak 4835 assign (resid 58 and name HN ) (resid 98 and name HG* ) 3.90 2.10 2.10 !peak 4759 assign (resid 58 and name HA ) (resid 75 and name HD* ) 4.30 2.50 2.50 !peak 4372 assign (resid 58 and name HB ) (resid 75 and name HD* ) 2.54 0.74 0.74 !peak 2860 assign (resid 58 and name HG2* ) (resid 75 and name HD* ) 2.54 0.74 0.74 !peak 4381 assign (resid 59 and name HN ) (resid 59 and name HB* ) 2.76 0.96 0.96 !peak 728 assign (resid 59 and name HN ) (resid 60 and name HG1* ) 3.52 1.72 1.72 !peak 4384 assign (resid 59 and name HN ) (resid 75 and name HD* ) 4.04 2.24 2.24 !peak 4383 assign (resid 59 and name HA ) (resid 60 and name HG1* ) 4.07 2.27 2.27 !peak 4403 assign (resid 59 and name HA ) (resid 75 and name HD* ) 3.79 1.99 1.99 !peak 4832 assign (resid 59 and name HA ) (resid 96 and name HG* ) 3.86 2.06 2.06 !peak 4402 assign (resid 59 and name HA ) (resid 98 and name HG* ) 4.30 2.50 2.50 !peak 4403 assign (resid 59 and name HB* ) (resid 60 and name HA ) 4.24 2.44 2.44 !peak 4393 assign (resid 59 and name HB* ) (resid 95 and name HB ) 3.52 1.72 1.72 !peak 4791 assign (resid 59 and name HB* ) (resid 97 and name HA ) 3.50 1.70 1.70 !peak 4391 assign (resid 59 and name HB* ) (resid 97 and name HB ) 3.85 2.05 2.05 !peak 4394 assign (resid 59 and name HB* ) (resid 97 and name HG2* ) 3.39 1.59 1.59 !peak 4900 assign (resid 59 and name HB* ) (resid 98 and name HN ) 4.24 2.44 2.44 !peak 4408 assign (resid 60 and name HN ) (resid 60 and name HG1* ) 3.07 1.27 1.27 !peak 733 assign (resid 60 and name HN ) (resid 75 and name HD* ) 3.60 1.80 1.80 !peak 4428 assign (resid 60 and name HN ) (resid 96 and name HG* ) 3.10 1.30 1.30 !peak 4433 assign (resid 60 and name HA ) (resid 60 and name HG1* ) 2.85 1.05 1.05 !peak 2285 assign (resid 60 and name HA ) (resid 96 and name HG* ) 3.80 2.00 2.00 !peak 4432 assign (resid 60 and name HB ) (resid 75 and name HD* ) 3.09 1.29 1.29 !peak 4605 assign (resid 60 and name HB ) (resid 96 and name HG* ) 2.96 1.16 1.16 !peak 4738 assign (resid 60 and name HG2* ) (resid 60 and name HG1* ) 2.75 0.95 0.95 !peak 2314 assign (resid 60 and name HG2* ) (resid 96 and name HG* ) 3.17 1.37 1.37 !peak 4434 assign (resid 60 and name HG1* ) (resid 61 and name HN ) 3.72 1.92 1.92 !peak 3703 assign (resid 60 and name HG1* ) (resid 75 and name HD* ) 2.87 1.07 1.07 !peak 4645 assign (resid 60 and name HD1* ) (resid 75 and name HB* ) 3.45 1.65 1.65 !peak 4594 assign (resid 60 and name HD1* ) (resid 75 and name HD* ) 2.43 0.63 0.63 !peak 4609 assign (resid 60 and name HD1* ) (resid 96 and name HG* ) 3.45 1.65 1.65 !peak 4441 assign (resid 61 and name HG2* ) (resid 63 and name HB* ) 4.00 2.20 2.20 !peak 4479 assign (resid 61 and name HG2* ) (resid 63 and name HG* ) 2.94 1.14 1.14 !peak 4450 assign (resid 61 and name HG2* ) (resid 63 and name HD* ) 3.15 1.35 1.35 !peak 4487 assign (resid 62 and name HN ) (resid 63 and name HG* ) 3.80 2.00 2.00 !peak 4478 assign (resid 62 and name HN ) (resid 63 and name HD* ) 3.82 2.02 2.02 !peak 5241 assign (resid 62 and name HA ) (resid 67 and name HG* ) 4.24 2.44 2.44 !peak 4513 assign (resid 62 and name HB* ) (resid 63 and name HB* ) 4.24 2.44 2.44 !peak 4479 assign (resid 62 and name HB* ) (resid 67 and name HB* ) 3.04 1.24 1.24 !peak 4473 assign (resid 62 and name HB* ) (resid 67 and name HG* ) 4.01 2.21 2.21 !peak 5495 assign (resid 62 and name HB* ) (resid 96 and name HG* ) 3.00 1.20 1.20 !peak 4474 assign (resid 63 and name HN ) (resid 63 and name HB* ) 2.83 1.03 1.03 !peak 747 assign (resid 63 and name HN ) (resid 63 and name HG* ) 2.87 1.07 1.07 !peak 747 assign (resid 63 and name HN ) (resid 63 and name HD* ) 3.43 1.63 1.63 !peak 2388 assign (resid 63 and name HN ) (resid 67 and name HB* ) 3.34 1.54 1.54 !peak 179 assign (resid 63 and name HA ) (resid 63 and name HG* ) 2.93 1.13 1.13 !peak 2373 assign (resid 63 and name HA ) (resid 63 and name HD* ) 3.26 1.46 1.46 !peak 2389 assign (resid 63 and name HB* ) (resid 63 and name HD* ) 2.68 0.88 0.88 !peak 2391 assign (resid 63 and name HB* ) (resid 64 and name HN ) 2.64 0.84 0.84 !peak 5436 assign (resid 63 and name HB* ) (resid 64 and name HG2* ) 3.03 1.23 1.23 !peak 5487 assign (resid 63 and name HG* ) (resid 64 and name HN ) 3.37 1.57 1.57 !peak 3713 assign (resid 63 and name HG* ) (resid 64 and name HG2* ) 3.77 1.97 1.97 !peak 4482 assign (resid 63 and name HD* ) (resid 64 and name HG2* ) 3.44 1.64 1.64 !peak 4488 assign (resid 64 and name HN ) (resid 67 and name HB* ) 2.82 1.02 1.02 !peak 5436 assign (resid 64 and name HN ) (resid 67 and name HG* ) 2.91 1.11 1.11 !peak 5437 assign (resid 64 and name HG2* ) (resid 66 and name HB* ) 3.94 2.14 2.14 !peak 5249 assign (resid 64 and name HG2* ) (resid 67 and name HB* ) 3.37 1.57 1.57 !peak 4504 assign (resid 64 and name HG2* ) (resid 67 and name HG* ) 3.82 2.02 2.02 !peak 5494 assign (resid 65 and name HB* ) (resid 65 and name HD* ) 2.24 0.44 0.44 !peak 2464 assign (resid 65 and name HB* ) (resid 65 and name HE* ) 2.50 0.70 0.70 !peak 2482 assign (resid 65 and name HB* ) (resid 66 and name HN ) 3.08 1.28 1.28 !peak 757 assign (resid 65 and name HG* ) (resid 66 and name HN ) 3.44 1.64 1.64 !peak 759 assign (resid 65 and name HE* ) (resid 66 and name HN ) 3.73 1.93 1.93 !peak 215 assign (resid 66 and name HN ) (resid 66 and name HB* ) 2.77 0.97 0.97 !peak 221 assign (resid 66 and name HN ) (resid 66 and name HG* ) 3.29 1.49 1.49 !peak 760 assign (resid 66 and name HA ) (resid 66 and name HG* ) 2.77 0.97 0.97 !peak 2493 assign (resid 66 and name HA ) (resid 66 and name HE* ) 3.69 1.89 1.89 !peak 2498 assign (resid 66 and name HA ) (resid 69 and name HB* ) 3.03 1.23 1.23 !peak 3972 assign (resid 66 and name HA ) (resid 69 and name HG* ) 3.09 1.29 1.29 !peak 5489 assign (resid 66 and name HB* ) (resid 66 and name HE* ) 3.50 1.70 1.70 !peak 2508 assign (resid 66 and name HB* ) (resid 67 and name HN ) 2.71 0.91 0.91 !peak 231 assign (resid 66 and name HB* ) (resid 67 and name HA ) 3.38 1.58 1.58 !peak 3978 assign (resid 66 and name HB* ) (resid 67 and name HG* ) 3.42 1.62 1.62 !peak 5257 assign (resid 66 and name HB* ) (resid 69 and name HN ) 4.14 2.34 2.34 !peak 5270 assign (resid 66 and name HG* ) (resid 66 and name HE* ) 2.75 0.95 0.95 !peak 2538 assign (resid 66 and name HG* ) (resid 67 and name HN ) 3.75 1.95 1.95 !peak 3729 assign (resid 67 and name HN ) (resid 67 and name HB* ) 2.60 0.80 0.80 !peak 768 assign (resid 67 and name HN ) (resid 67 and name HG* ) 2.67 0.87 0.87 !peak 770 assign (resid 67 and name HA ) (resid 67 and name HG* ) 2.83 1.03 1.03 !peak 2584 assign (resid 67 and name HA ) (resid 70 and name HE* ) 3.60 1.80 1.80 !peak 5277 assign (resid 67 and name HB* ) (resid 68 and name HN ) 2.62 0.83 0.83 !peak 237 assign (resid 67 and name HB* ) (resid 68 and name HB* ) 3.94 2.14 2.14 !peak 5497 assign (resid 67 and name HG* ) (resid 68 and name HN ) 3.38 1.58 1.58 !peak 238 assign (resid 68 and name HN ) (resid 69 and name HB* ) 3.97 2.17 2.17 !peak 239 assign (resid 68 and name HA ) (resid 96 and name HG* ) 3.07 1.27 1.27 !peak 4517 assign (resid 68 and name HB* ) (resid 96 and name HG* ) 3.68 1.88 1.88 !peak 5545 assign (resid 69 and name HN ) (resid 69 and name HB* ) 2.61 0.81 0.81 !peak 776 assign (resid 69 and name HN ) (resid 69 and name HG* ) 2.65 0.85 0.85 !peak 778 assign (resid 69 and name HA ) (resid 69 and name HG* ) 2.87 1.07 1.07 !peak 2620 assign (resid 69 and name HB* ) (resid 70 and name HN ) 2.95 1.15 1.15 !peak 245 assign (resid 69 and name HB* ) (resid 72 and name HB* ) 3.86 2.06 2.06 !peak 4557 assign (resid 69 and name HB* ) (resid 73 and name HN ) 4.10 2.30 2.30 !peak 4565 assign (resid 69 and name HG* ) (resid 70 and name HN ) 3.30 1.50 1.50 !peak 247 assign (resid 70 and name HB2 ) (resid 70 and name HE* ) 3.59 1.79 1.79 !peak 2664 assign (resid 70 and name HB1 ) (resid 70 and name HE* ) 3.66 1.86 1.86 !peak 2728 assign (resid 70 and name HE* ) (resid 71 and name HN ) 3.92 2.12 2.12 !peak 3755 assign (resid 70 and name HE* ) (resid 71 and name HZ ) 3.76 1.96 1.96 !peak 5282 assign (resid 70 and name HE* ) (resid 71 and name HE2 ) 3.53 1.73 1.73 !peak 5281 assign (resid 71 and name HN ) (resid 96 and name HG* ) 3.57 1.77 1.77 !peak 4539 assign (resid 71 and name HA ) (resid 74 and name HG1* ) 3.52 1.72 1.72 !peak 4581 assign (resid 71 and name HB2 ) (resid 75 and name HD* ) 4.30 2.50 2.50 !peak 4822 assign (resid 71 and name HB2 ) (resid 96 and name HG* ) 3.23 1.43 1.43 !peak 4737 assign (resid 71 and name HB1 ) (resid 75 and name HD* ) 3.94 2.14 2.14 !peak 4822 assign (resid 71 and name HB1 ) (resid 96 and name HG* ) 3.40 1.60 1.60 !peak 4736 assign (resid 71 and name HD2 ) (resid 96 and name HG* ) 4.19 2.39 2.39 !peak 4734 assign (resid 72 and name HN ) (resid 75 and name HD* ) 4.19 2.39 2.39 !peak 4547 assign (resid 72 and name HN ) (resid 96 and name HG* ) 3.23 1.43 1.43 !peak 4546 assign (resid 72 and name HN ) (resid 98 and name HG* ) 4.30 2.50 2.50 !peak 5289 assign (resid 72 and name HA ) (resid 75 and name HB* ) 3.07 1.27 1.27 !peak 2846 assign (resid 72 and name HA ) (resid 75 and name HD* ) 2.96 1.16 1.16 !peak 2867 assign (resid 72 and name HA ) (resid 96 and name HG* ) 3.11 1.31 1.31 !peak 5541 assign (resid 72 and name HA ) (resid 98 and name HG* ) 2.99 1.19 1.19 !peak 4549 assign (resid 72 and name HB* ) (resid 76 and name HG1* ) 4.24 2.44 2.44 !peak 4556 assign (resid 72 and name HB* ) (resid 89 and name HG* ) 2.71 0.91 0.91 !peak 4701 assign (resid 72 and name HB* ) (resid 96 and name HG* ) 2.55 0.75 0.75 !peak 4553 assign (resid 72 and name HB* ) (resid 98 and name HG* ) 3.02 1.22 1.22 !peak 5548 assign (resid 73 and name HA ) (resid 76 and name HG1* ) 3.94 2.14 2.14 !peak 4566 assign (resid 73 and name HB* ) (resid 74 and name HG1* ) 3.09 1.29 1.28 !peak 5293 assign (resid 74 and name HN ) (resid 74 and name HG1* ) 2.55 0.75 0.75 !peak 807 assign (resid 74 and name HA ) (resid 77 and name HG* ) 3.53 1.73 1.73 !peak 5317 assign (resid 74 and name HA ) (resid 77 and name HD* ) 3.13 1.33 1.33 !peak 4586 assign (resid 74 and name HB ) (resid 75 and name HD* ) 4.10 2.30 2.30 !peak 4589 assign (resid 74 and name HG2* ) (resid 74 and name HG1* ) 2.58 0.78 0.78 !peak 2808 assign (resid 74 and name HG2* ) (resid 77 and name HG* ) 4.24 2.44 2.43 !peak 4632 assign (resid 75 and name HN ) (resid 75 and name HD* ) 3.04 1.24 1.24 !peak 2866 assign (resid 75 and name HA ) (resid 75 and name HD* ) 2.65 0.85 0.85 !peak 2836 assign (resid 75 and name HB* ) (resid 75 and name HD* ) 2.54 0.74 0.74 !peak 2869 assign (resid 75 and name HB* ) (resid 76 and name HN ) 3.33 1.53 1.53 !peak 281 assign (resid 75 and name HB* ) (resid 98 and name HB ) 3.19 1.39 1.39 !peak 5400 assign (resid 75 and name HB* ) (resid 98 and name HG* ) 2.90 1.10 1.10 !peak 4768 assign (resid 75 and name HD* ) (resid 76 and name HN ) 3.82 2.02 2.02 !peak 284 assign (resid 75 and name HD* ) (resid 78 and name HN ) 3.83 2.03 2.03 !peak 4830 assign (resid 75 and name HD* ) (resid 78 and name HB ) 3.19 1.39 1.39 !peak 4647 assign (resid 75 and name HD* ) (resid 78 and name HG2* ) 3.10 1.30 1.30 !peak 4818 assign (resid 75 and name HD* ) (resid 79 and name HN ) 3.95 2.15 2.15 !peak 4649 assign (resid 75 and name HD* ) (resid 79 and name HE2 ) 3.11 1.31 1.31 !peak 4941 assign (resid 75 and name HD* ) (resid 79 and name HD2 ) 3.29 1.49 1.49 !peak 4938 assign (resid 75 and name HD* ) (resid 96 and name HG* ) 3.16 1.36 1.36 !peak 4820 assign (resid 75 and name HD* ) (resid 97 and name HA ) 3.45 1.65 1.65 !peak 4828 assign (resid 75 and name HD* ) (resid 97 and name HG2* ) 3.79 1.99 1.99 !peak 4751 assign (resid 75 and name HD* ) (resid 98 and name HN ) 3.03 1.23 1.23 !peak 4925 assign (resid 75 and name HD* ) (resid 98 and name HB ) 2.79 0.99 0.99 !peak 4606 assign (resid 75 and name HD* ) (resid 98 and name HG* ) 2.59 0.79 0.79 !peak 4819 assign (resid 76 and name HN ) (resid 76 and name HG1* ) 3.08 1.28 1.28 !peak 2894 assign (resid 76 and name HN ) (resid 98 and name HG* ) 3.36 1.56 1.56 !peak 5684 assign (resid 76 and name HA ) (resid 76 and name HG1* ) 2.82 1.02 1.02 !peak 2876 assign (resid 76 and name HA ) (resid 98 and name HG* ) 3.15 1.35 1.35 !peak 4623 assign (resid 76 and name HG2* ) (resid 76 and name HG1* ) 2.71 0.91 0.91 !peak 2891 assign (resid 76 and name HG2* ) (resid 77 and name HG* ) 3.51 1.71 1.71 !peak 4621 assign (resid 76 and name HG1* ) (resid 77 and name HN ) 4.24 2.44 2.44 !peak 3782 assign (resid 76 and name HG1* ) (resid 87 and name HG2* ) 2.95 1.15 1.15 !peak 5531 assign (resid 76 and name HG1* ) (resid 98 and name HG* ) 3.33 1.53 1.53 !peak 4625 assign (resid 76 and name HD1* ) (resid 98 and name HG* ) 2.77 0.97 0.97 !peak 4627 assign (resid 77 and name HN ) (resid 77 and name HG* ) 3.19 1.39 1.39 !peak 829 assign (resid 77 and name HN ) (resid 77 and name HD* ) 3.62 1.82 1.82 !peak 831 assign (resid 77 and name HA ) (resid 77 and name HG* ) 2.68 0.88 0.88 !peak 2919 assign (resid 77 and name HA ) (resid 77 and name HD* ) 3.49 1.69 1.69 !peak 2976 assign (resid 77 and name HA ) (resid 77 and name HE* ) 3.55 1.75 1.74 !peak 2996 assign (resid 77 and name HB2 ) (resid 77 and name HD* ) 2.57 0.77 0.77 !peak 2932 assign (resid 77 and name HB2 ) (resid 77 and name HE* ) 3.20 1.40 1.40 !peak 2997 assign (resid 77 and name HB1 ) (resid 77 and name HD* ) 2.82 1.02 1.02 !peak 2942 assign (resid 77 and name HB1 ) (resid 77 and name HE* ) 3.71 1.91 1.91 !peak 2998 assign (resid 77 and name HG* ) (resid 77 and name HD* ) 2.14 0.34 0.34 !peak 2979 assign (resid 77 and name HG* ) (resid 77 and name HE* ) 2.69 0.89 0.89 !peak 3000 assign (resid 77 and name HG* ) (resid 78 and name HN ) 3.62 1.82 1.82 !peak 298 assign (resid 77 and name HD* ) (resid 78 and name HN ) 4.03 2.23 2.23 !peak 3790 assign (resid 77 and name HE* ) (resid 78 and name HN ) 4.01 2.21 2.20 !peak 3792 assign (resid 78 and name HA ) (resid 81 and name HG* ) 3.35 1.55 1.55 !peak 4673 assign (resid 79 and name HB2 ) (resid 98 and name HG* ) 3.32 1.52 1.51 !peak 5512 assign (resid 79 and name HB1 ) (resid 98 and name HG* ) 3.92 2.12 2.12 !peak 5514 assign (resid 79 and name HE2 ) (resid 98 and name HG* ) 3.51 1.71 1.71 !peak 4774 assign (resid 79 and name HD2 ) (resid 98 and name HG* ) 3.47 1.67 1.67 !peak 4937 assign (resid 80 and name HB* ) (resid 81 and name HG* ) 3.14 1.34 1.34 !peak 4669 assign (resid 81 and name HN ) (resid 81 and name HG* ) 2.75 0.95 0.95 !peak 852 assign (resid 81 and name HA ) (resid 81 and name HG* ) 2.77 0.97 0.97 !peak 3065 assign (resid 81 and name HB1 ) (resid 81 and name HG* ) 2.35 0.55 0.55 !peak 3088 assign (resid 81 and name HG* ) (resid 82 and name HN ) 3.51 1.71 1.71 !peak 3807 assign (resid 81 and name HG* ) (resid 82 and name HD2* ) 4.24 2.44 2.44 !peak 4870 assign (resid 84 and name HB* ) (resid 84 and name HE2 ) 3.55 1.75 1.75 !peak 3159 assign (resid 85 and name HB* ) (resid 85 and name HD2* ) 2.86 1.06 1.06 !peak 5662 assign (resid 86 and name HB* ) (resid 87 and name HN ) 3.24 1.44 1.44 !peak 5653 assign (resid 86 and name HB* ) (resid 101 and name HB* ) 3.45 1.65 1.65 !peak 5571 assign (resid 86 and name HB* ) (resid 101 and name HG* ) 3.63 1.83 1.83 !peak 5573 assign (resid 87 and name HN ) (resid 87 and name HG1* ) 3.27 1.47 1.47 !peak 4693 assign (resid 87 and name HA ) (resid 88 and name HB* ) 3.69 1.89 1.89 !peak 5370 assign (resid 87 and name HG2* ) (resid 87 and name HG1* ) 2.84 1.04 1.04 !peak 3195 assign (resid 87 and name HG2* ) (resid 88 and name HB* ) 3.75 1.95 1.95 !peak 4699 assign (resid 87 and name HG2* ) (resid 89 and name HG* ) 3.46 1.66 1.66 !peak 5532 assign (resid 87 and name HG2* ) (resid 98 and name HG* ) 2.54 0.74 0.74 !peak 4687 assign (resid 87 and name HG1* ) (resid 88 and name HN ) 3.82 2.02 2.02 !peak 337 assign (resid 87 and name HG1* ) (resid 98 and name HG* ) 4.03 2.23 2.23 !peak 5461 assign (resid 87 and name HD1* ) (resid 98 and name HG* ) 3.49 1.69 1.69 !peak 5156 assign (resid 88 and name HN ) (resid 88 and name HB* ) 2.71 0.91 0.91 !peak 873 assign (resid 88 and name HN ) (resid 98 and name HG* ) 3.30 1.50 1.50 !peak 4700 assign (resid 88 and name HA ) (resid 88 and name HD2* ) 3.44 1.64 1.64 !peak 451 assign (resid 88 and name HA ) (resid 89 and name HG* ) 3.53 1.73 1.73 !peak 4697 assign (resid 88 and name HB* ) (resid 89 and name HN ) 3.38 1.58 1.58 !peak 342 assign (resid 88 and name HB* ) (resid 99 and name HB* ) 3.50 1.70 1.70 !peak 5404 assign (resid 88 and name HD2* ) (resid 99 and name HB* ) 4.03 2.23 2.23 !peak 4910 assign (resid 89 and name HN ) (resid 89 and name HG* ) 2.80 1.00 1.00 !peak 879 assign (resid 89 and name HA ) (resid 98 and name HG* ) 3.12 1.32 1.32 !peak 4771 assign (resid 89 and name HB ) (resid 98 and name HG* ) 3.47 1.67 1.67 !peak 4769 assign (resid 89 and name HG* ) (resid 90 and name HN ) 2.70 0.90 0.90 !peak 349 assign (resid 89 and name HG* ) (resid 90 and name HA ) 3.50 1.70 1.70 !peak 4704 assign (resid 89 and name HG* ) (resid 91 and name HA ) 4.02 2.22 2.22 !peak 4713 assign (resid 89 and name HG* ) (resid 91 and name HB* ) 3.57 1.77 1.77 !peak 4715 assign (resid 89 and name HG* ) (resid 98 and name HA ) 3.69 1.89 1.89 !peak 4877 assign (resid 89 and name HG* ) (resid 98 and name HG* ) 2.64 0.84 0.84 !peak 5373 assign (resid 91 and name HA ) (resid 96 and name HG* ) 4.17 2.37 2.37 !peak 4713 assign (resid 91 and name HB* ) (resid 91 and name HE3 ) 3.03 1.23 1.23 !peak 3293 assign (resid 91 and name HB* ) (resid 91 and name HZ3 ) 3.64 1.84 1.84 !peak 3270 assign (resid 91 and name HD1 ) (resid 96 and name HG* ) 3.57 1.77 1.77 !peak 4716 assign (resid 91 and name HE1 ) (resid 96 and name HG* ) 3.42 1.62 1.62 !peak 4711 assign (resid 93 and name HA* ) (resid 94 and name HB* ) 3.62 1.82 1.82 !peak 5385 assign (resid 94 and name HN ) (resid 94 and name HB* ) 2.90 1.10 1.10 !peak 892 assign (resid 94 and name HB* ) (resid 95 and name HN ) 3.30 1.50 1.50 !peak 3841 assign (resid 94 and name HB* ) (resid 95 and name HB ) 4.24 2.44 2.44 !peak 5384 assign (resid 96 and name HN ) (resid 96 and name HG* ) 2.97 1.17 1.17 !peak 901 assign (resid 96 and name HG* ) (resid 97 and name HA ) 3.34 1.54 1.54 !peak 5389 assign (resid 96 and name HG* ) (resid 97 and name HG2* ) 4.14 2.34 2.34 !peak 4751 assign (resid 97 and name HN ) (resid 98 and name HG* ) 4.06 2.26 2.26 !peak 4759 assign (resid 97 and name HA ) (resid 98 and name HG* ) 4.17 2.37 2.37 !peak 4773 assign (resid 97 and name HG2* ) (resid 98 and name HG* ) 3.74 1.94 1.94 !peak 5391 assign (resid 97 and name HG2* ) (resid 99 and name HB* ) 3.27 1.47 1.47 !peak 4781 assign (resid 97 and name HG2* ) (resid 99 and name HG* ) 3.63 1.83 1.83 !peak 4744 assign (resid 98 and name HN ) (resid 98 and name HG* ) 2.68 0.88 0.88 !peak 909 assign (resid 98 and name HG* ) (resid 99 and name HA ) 4.15 2.35 2.35 !peak 4772 assign (resid 101 and name HB* ) (resid 101 and name HE* ) 3.04 1.24 1.24 !peak 5563 assign (resid 101 and name HG* ) (resid 101 and name HE* ) 2.67 0.87 0.87 !peak 5561 assign (resid 103 and name HN ) (resid 103 and name HG* ) 3.80 2.00 2.00 !peak 916 assign (resid 103 and name HB* ) (resid 104 and name HN ) 3.27 1.47 1.47 !peak 386 assign (resid 103 and name HG* ) (resid 104 and name HN ) 4.24 2.44 2.44 !peak 389 assign (resid 103 and name HG* ) (resid 104 and name HA* ) 3.37 1.57 1.57 !peak 5406 assign (resid 104 and name HA* ) (resid 106 and name HN ) 4.24 2.44 2.44 !peak 4729 assign (resid 105 and name HN ) (resid 105 and name HG* ) 2.91 1.11 1.11 !peak 924 assign (resid 105 and name HA ) (resid 105 and name HG* ) 2.64 0.84 0.84 !peak 3519 assign (resid 105 and name HG* ) (resid 106 and name HN ) 2.92 1.12 1.12 !peak 396 assign (resid 106 and name HN ) (resid 106 and name HB* ) 2.61 0.81 0.81 !peak 928 assign (resid 20 and name SG ) (resid 53 and name SG ) 2.11 0.31 0.31 ! assign (resid 20 and name SG ) (resid 53 and name CB ) 2.68 0.88 0.88 ! assign (resid 20 and name CB ) (resid 53 and name SG ) 2.68 0.88 0.88 !
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