============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 4 1.000 51.274-134.118 61.785 -99.200 -91.000 TYR 6 0.840 55.040-137.154 52.313 -99.200 -91.000 PHE 13 1.000 54.511-119.274 44.951 -99.200 -91.000 HIS 37 0.900 55.659-114.485 56.607 -99.200 -91.000 TYR 43 0.840 53.053-112.341 55.106 -99.200 -91.000 TYR 46 0.840 45.380-105.214 52.464 -99.200 -91.000 HIS 54 0.900 54.174-107.988 46.366 -99.200 -91.000 TYR 56 0.840 59.717-111.587 53.753 -99.200 -91.000 HIS 59 0.900 58.583-111.850 45.989 -99.200 -91.000 PHE 61 1.000 52.578-116.961 38.418 -99.200 -91.000 HIS 62 0.900 58.117-114.217 35.129 -99.200 -91.000 PHE 69 1.000 47.076-118.189 34.577 -99.200 -91.000 TYR 71 0.840 48.955-126.420 41.894 -99.200 -91.000 PHE 75 1.000 45.146-124.507 45.120 -99.200 -91.000 TRP 78 1.040 45.004-116.114 37.738 -99.200 -91.000 TRP6 78 1.020 47.138-116.190 38.748 -99.200 -91.000 TYR 81 0.840 51.755-105.366 36.832 -99.200 -91.000 HIS 83 0.900 57.199-105.088 37.211 -99.200 -91.000 TYR 107 0.840 74.115 -94.849 22.387 -99.200 -91.000 PHE 114 1.000 62.950-104.669 9.423 -99.200 -91.000 PHE 119 1.000 74.267 -98.871 17.846 -99.200 -91.000 PHE 120 1.000 71.254-103.882 20.066 -99.200 -91.000 TYR 146 0.840 79.531-105.350 31.038 -99.200 -91.000 PHE 149 1.000 70.661 -99.205 29.677 -99.200 -91.000 PHE 150 1.000 72.360-106.015 31.250 -99.200 -91.000 TYR 153 0.840 70.253-104.040 38.968 -99.200 -91.000 TRP 158 1.040 74.408-110.529 41.307 -99.200 -91.000 TRP6 158 1.020 73.378-112.518 42.064 -99.200 -91.000 TYR 183 0.840 62.730-106.925 34.155 -99.200 -91.000 PHE 184 1.000 58.967-110.729 34.430 -99.200 -91.000 TYR 188 0.840 49.293-119.134 30.207 -99.200 -91.000 HIS 194 0.900 40.300-110.476 46.136 -99.200 -91.000 TYR 196 0.840 52.240-113.218 44.968 -99.200 -91.000 PHE 200 1.000 52.056-118.922 49.016 -99.200 -91.000 TYR 217 0.840 64.854-128.848 60.172 -99.200 -91.000 PHE 223 1.000 58.761-132.259 70.650 -99.200 -91.000 PHE 226 1.000 59.703-136.304 60.538 -99.200 -91.000 HIS 228 0.900 60.377-138.527 52.091 -99.200 -91.000 TYR 231 0.840 66.042-127.833 54.747 -99.200 -91.000 PHE 238 1.000 68.600-131.650 56.202 -99.200 -91.000 PHE 239 1.000 73.015-132.471 54.197 -99.200 -91.000 PHE 241 1.000 75.477-123.012 58.257 -99.200 -91.000 TYR 243 0.840 80.897-131.333 52.554 -99.200 -91.000 TYR 248 0.840 71.923-120.191 49.913 -99.200 -91.000 PHE 253 1.000 63.490-106.846 50.982 -99.200 -91.000 HIS 255 0.900 58.690-102.697 52.726 -99.200 -91.000 HIS 258 0.900 57.074 -91.441 49.721 -99.200 -91.000 TYR 271 0.840 67.165 -95.074 40.774 -99.200 -91.000 TYR 275 0.840 69.830 -91.918 44.146 -99.200 -91.000 TYR 277 0.840 67.820 -95.796 46.180 -99.200 -91.000 PHE 283 1.000 55.276-103.396 47.295 -99.200 -91.000 HIS 285 0.900 52.878 -97.679 39.098 -99.200 -91.000 HIS 291 0.900 45.670 -96.255 50.623 -99.200 -91.000 HIS 292 0.900 44.325 -91.196 51.527 -99.200 -91.000 TYR 298 0.840 63.463 -95.789 47.779 -99.200 -91.000 TYR 300 0.840 69.020 -99.063 50.727 -99.200 -91.000 TYR 308 0.840 65.860-112.395 51.320 -99.200 -91.000 TYR 309 0.840 68.530-112.248 44.754 -99.200 -91.000 TYR 320 0.840 73.606-127.699 45.091 -99.200 -91.000 TYR 323 0.840 77.151-127.878 52.003 -99.200 -91.000 PHE 335 1.000 67.966-131.988 51.116 -99.200 -91.000 TYR 342 0.840 73.870-122.192 45.654 -99.200 -91.000 TYR 344 0.840 68.530-115.367 40.120 -99.200 -91.000 TYR 345 0.840 64.422-123.765 39.323 -99.200 -91.000 PHE 358 1.000 51.169-135.210 44.271 -99.200 -91.000