============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 24 0.900 62.101 22.156 38.790 -99.200 -91.000 PHE 26 1.000 59.735 23.735 28.761 -99.200 -91.000 PHE 37 1.000 46.245 28.128 0.218 -99.200 -91.000 PHE 55 1.000 58.031 19.252 30.423 -99.200 -91.000 TYR 57 0.840 58.564 17.240 23.100 -99.200 -91.000 PHE 64 1.000 56.873 22.673 20.734 -99.200 -91.000 PHE 68 1.000 51.247 25.578 8.551 -99.200 -91.000 TYR 71 0.840 39.166 27.690 8.315 -99.200 -91.000 TYR 78 0.840 40.379 36.181 13.355 -99.200 -91.000 PHE 79 1.000 42.399 30.731 12.941 -99.200 -91.000 PHE 83 1.000 49.869 34.994 9.086 -99.200 -91.000 TYR 87 0.840 46.930 33.268 14.182 -99.200 -91.000 TRP 89 1.040 47.883 30.211 19.252 -99.200 -91.000 TRP6 89 1.020 48.537 28.967 21.165 -99.200 -91.000 TYR 95 0.840 46.852 18.736 30.684 -99.200 -91.000 TYR 114 0.840 52.647 30.969 7.987 -99.200 -91.000 TYR 116 0.840 54.541 28.860 14.604 -99.200 -91.000 PHE 120 1.000 53.507 24.258 28.183 -99.200 -91.000 PHE 125 1.000 50.734 19.432 34.424 -99.200 -91.000 TRP 139 1.040 47.745 15.837 22.988 -99.200 -91.000 TRP6 139 1.020 46.449 16.403 24.881 -99.200 -91.000 TYR 147 0.840 33.015 29.938 21.583 -99.200 -91.000 HIS 168 0.900 41.537 7.244 26.351 -99.200 -91.000 TYR 169 0.840 46.311 13.941 32.759 -99.200 -91.000 PHE 173 1.000 44.198 21.577 24.528 -99.200 -91.000 TYR 177 0.840 42.316 30.524 17.815 -99.200 -91.000 TYR 188 0.840 27.284 27.290 14.357 -99.200 -91.000 HIS 189 0.900 34.970 27.948 11.930 -99.200 -91.000 PHE 190 1.000 31.069 22.271 15.022 -99.200 -91.000 HIS 193 0.900 42.924 21.113 15.575 -99.200 -91.000 HIS 194 0.900 42.709 12.867 12.790 -99.200 -91.000 HIS 200 0.900 60.118 9.090 21.282 -99.200 -91.000 TYR 204 0.840 59.427 11.668 24.096 -99.200 -91.000 HIS 210 0.900 54.810 14.366 10.214 -99.200 -91.000 HIS 212 0.900 45.123 14.676 9.381 -99.200 -91.000 HIS 216 0.900 33.718 19.454 10.794 -99.200 -91.000