============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 3 1.040 32.748 55.539 36.008 -99.200 -91.000 TRP6 3 1.020 31.105 55.310 34.331 -99.200 -91.000 TYR 5 0.840 36.298 46.597 32.308 -99.200 -91.000 HIS 7 0.900 41.483 42.722 30.786 -99.200 -91.000 TYR 10 0.840 49.047 38.566 30.283 -99.200 -91.000 PHE 18 1.000 32.300 42.672 27.801 -99.200 -91.000 PHE 22 1.000 31.791 49.095 30.301 -99.200 -91.000 TYR 25 0.840 27.512 52.640 23.848 -99.200 -91.000 HIS 32 0.900 30.735 59.710 33.287 -99.200 -91.000 TYR 37 0.840 44.106 50.023 36.700 -99.200 -91.000 PHE 39 1.000 47.727 38.034 35.617 -99.200 -91.000 PHE 55 1.000 32.097 49.724 35.245 -99.200 -91.000 PHE 62 1.000 41.306 32.504 38.706 -99.200 -91.000 PHE 73 1.000 28.866 29.395 33.959 -99.200 -91.000 PHE 74 1.000 34.715 26.229 36.313 -99.200 -91.000 TYR 77 0.840 32.297 15.560 28.846 -99.200 -91.000 PHE 89 1.000 23.302 28.313 28.900 -99.200 -91.000 PHE 90 1.000 27.399 32.068 28.214 -99.200 -91.000 PHE 100 1.000 25.322 31.962 37.710 -99.200 -91.000 TYR 104 0.840 28.394 36.815 39.771 -99.200 -91.000 HIS 107 0.900 28.472 36.471 47.269 -99.200 -91.000 TYR 115 0.840 32.805 38.220 28.150 -99.200 -91.000 PHE 134 1.000 43.143 14.303 32.538 -99.200 -91.000 TYR 151 0.840 40.814 18.926 34.975 -99.200 -91.000 PHE 154 1.000 37.073 15.154 33.613 -99.200 -91.000 TRP 163 1.040 48.227 33.226 33.547 -99.200 -91.000 TRP6 163 1.020 48.111 31.128 32.470 -99.200 -91.000 TYR 167 0.840 56.172 29.474 29.356 -99.200 -91.000 PHE 183 1.000 41.628 33.712 24.531 -99.200 -91.000 TRP 184 1.040 45.255 31.797 28.965 -99.200 -91.000 TRP6 184 1.020 45.263 34.090 29.529 -99.200 -91.000 TYR 191 0.840 52.691 27.664 21.000 -99.200 -91.000 PHE 199 1.000 41.044 20.872 20.283 -99.200 -91.000 HIS 202 0.900 36.778 19.629 30.220 -99.200 -91.000 TRP 204 1.040 31.964 25.984 25.064 -99.200 -91.000 TRP6 204 1.020 32.428 27.543 23.367 -99.200 -91.000 PHE 205 1.000 38.469 30.991 31.110 -99.200 -91.000 PHE 215 1.000 30.661 52.878 39.431 -99.200 -91.000 TYR 216 0.840 24.172 49.612 37.617 -99.200 -91.000 TYR 235 0.840 26.994 38.675 24.715 -99.200 -91.000 HIS 237 0.900 34.529 44.785 18.827 -99.200 -91.000 HIS 241 0.900 38.689 38.909 19.266 -99.200 -91.000 PHE 273 1.000 38.303 11.913 29.855 -99.200 -91.000 PHE 284 1.000 26.299 23.779 41.458 -99.200 -91.000 PHE 299 1.000 24.253 26.290 33.208 -99.200 -91.000