============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 16 1.000 17.868 20.824 50.435 -99.200 -91.000 TYR 26 0.840 28.454 15.474 59.676 -99.200 -91.000 TYR 28 0.840 33.050 14.598 50.706 -99.200 -91.000 PHE 29 1.000 34.824 15.695 58.008 -99.200 -91.000 PHE 38 1.000 40.697 5.741 64.825 -99.200 -91.000 PHE 45 1.000 32.990 11.380 61.103 -99.200 -91.000 HIS 55 0.900 18.222 15.814 61.104 -99.200 -91.000 PHE 60 1.000 13.971 19.782 47.755 -99.200 -91.000 PHE 62 1.000 8.056 21.506 56.776 -99.200 -91.000 PHE 74 1.000 26.463 27.279 53.663 -99.200 -91.000 HIS 83 0.900 41.094 14.530 68.526 -99.200 -91.000 HIS 94 0.900 27.981 24.531 70.758 -99.200 -91.000 HIS 95 0.900 25.938 27.971 63.514 -99.200 -91.000 TYR 97 0.840 23.635 21.359 70.600 -99.200 -91.000 TYR 101 0.840 18.210 22.775 62.499 -99.200 -91.000 PHE 104 1.000 17.663 29.228 60.295 -99.200 -91.000 TYR 113 0.840 5.250 30.686 57.870 -99.200 -91.000 PHE 120 1.000 13.315 25.677 60.850 -99.200 -91.000 PHE 129 1.000 23.044 10.042 70.792 -99.200 -91.000 HIS 130 0.900 23.152 13.725 64.105 -99.200 -91.000 PHE 134 1.000 29.769 13.621 64.407 -99.200 -91.000 PHE 137 1.000 32.261 6.942 68.552 -99.200 -91.000 PHE 147 1.000 40.487 0.342 67.711 -99.200 -91.000 TRP 155 1.040 37.268 -4.933 73.873 -99.200 -91.000 TRP6 155 1.020 37.524 -2.631 73.399 -99.200 -91.000 TYR 162 0.840 36.129 -13.844 68.639 -99.200 -91.000 HIS 164 0.900 39.708 -10.304 72.949 -99.200 -91.000 HIS 178 0.900 38.031 -8.768 57.544 -99.200 -91.000 HIS 182 0.900 36.985 -4.364 59.850 -99.200 -91.000 PHE 183 1.000 37.695 -7.301 67.268 -99.200 -91.000 TRP 190 1.040 18.860 -6.552 72.443 -99.200 -91.000 TRP6 190 1.020 20.807 -6.127 71.173 -99.200 -91.000