============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 9 0.840 11.847 63.560 -6.410 -99.200 -91.000 PHE 34 1.000 32.223 60.531 2.370 -99.200 -91.000 HIS 35 0.900 23.485 63.313 2.142 -99.200 -91.000 HIS 37 0.900 13.290 59.065 -7.975 -99.200 -91.000 TRP 49 1.040 33.704 58.261 11.940 -99.200 -91.000 TRP6 49 1.020 33.718 56.576 10.300 -99.200 -91.000 TYR 51 0.840 27.432 58.781 22.545 -99.200 -91.000 HIS 53 0.900 28.184 52.397 14.642 -99.200 -91.000 PHE 89 1.000 18.986 68.966 19.118 -99.200 -91.000 HIS 91 0.900 29.113 74.039 23.386 -99.200 -91.000 PHE 92 1.000 27.906 73.307 18.684 -99.200 -91.000 TRP 111 1.040 13.728 74.949 3.680 -99.200 -91.000 TRP6 111 1.020 14.153 73.297 2.042 -99.200 -91.000 TRP 123 1.040 26.434 45.358 1.832 -99.200 -91.000 TRP6 123 1.020 26.903 46.259 -0.302 -99.200 -91.000 TYR 127 0.840 31.150 48.479 1.085 -99.200 -91.000 TRP 130 1.040 24.412 52.927 9.472 -99.200 -91.000 TRP6 130 1.020 23.773 51.373 11.139 -99.200 -91.000 TRP 138 1.040 7.751 66.852 10.152 -99.200 -91.000 TRP6 138 1.020 5.400 66.934 10.246 -99.200 -91.000 HIS 150 0.900 24.734 71.527 -2.457 -99.200 -91.000 HIS 151 0.900 32.711 68.781 3.634 -99.200 -91.000 PHE 157 1.000 30.422 73.135 4.307 -99.200 -91.000 TRP 172 1.040 13.238 60.568 -16.281 -99.200 -91.000 TRP6 172 1.020 13.108 58.274 -15.722 -99.200 -91.000