============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 54.421 29.814 202.913 -99.200 -91.000 PHE 14 1.000 42.081 23.959 198.468 -99.200 -91.000 TRP 26 1.040 47.328 28.495 202.928 -99.200 -91.000 TRP6 26 1.020 49.329 28.130 204.115 -99.200 -91.000 TYR 39 0.840 59.705 36.108 212.263 -99.200 -91.000 TYR 43 0.840 54.239 34.369 199.323 -99.200 -91.000 TYR 44 0.840 62.206 32.285 197.645 -99.200 -91.000 TRP 60 1.040 60.749 17.520 198.549 -99.200 -91.000 TRP6 60 1.020 62.215 18.579 200.069 -99.200 -91.000 HIS 69 0.900 73.215 27.701 202.111 -99.200 -91.000 TYR 72 0.840 69.260 31.843 203.133 -99.200 -91.000 PHE 78 1.000 57.436 19.778 202.217 -99.200 -91.000 PHE 80 1.000 52.091 16.418 200.550 -99.200 -91.000 TYR 114 0.840 66.038 23.022 203.381 -99.200 -91.000 TYR 123 0.840 36.825 19.366 195.368 -99.200 -91.000 TYR 153 0.840 48.584 16.766 209.586 -99.200 -91.000 PHE 157 1.000 38.394 18.035 205.933 -99.200 -91.000 TRP 166 1.040 38.000 25.868 202.306 -99.200 -91.000 TRP6 166 1.020 40.067 26.956 202.052 -99.200 -91.000 HIS 168 0.900 28.389 28.458 203.259 -99.200 -91.000 HIS 177 0.900 40.511 25.877 192.937 -99.200 -91.000 TYR 183 0.840 42.901 30.496 199.232 -99.200 -91.000 PHE 186 1.000 44.971 26.790 204.953 -99.200 -91.000 TRP 193 1.040 50.322 24.645 214.482 -99.200 -91.000 TRP6 193 1.020 51.412 23.906 212.506 -99.200 -91.000 TRP 196 1.040 53.118 30.999 211.377 -99.200 -91.000 TRP6 196 1.020 54.011 30.589 209.222 -99.200 -91.000 TRP 199 1.040 60.287 30.335 212.734 -99.200 -91.000 TRP6 199 1.020 62.439 30.044 211.844 -99.200 -91.000 PHE 200 1.000 61.993 29.631 217.353 -99.200 -91.000