============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 6 1.000 21.764 22.550 19.454 -99.200 -91.000 TYR 7 0.840 17.121 23.112 20.884 -99.200 -91.000 HIS 40 0.900 11.454 11.101 15.544 -99.200 -91.000 PHE 41 1.000 8.309 4.741 10.021 -99.200 -91.000 PHE 45 1.000 12.637 4.113 8.114 -99.200 -91.000 PHE 61 1.000 9.229 21.817 -1.728 -99.200 -91.000 PHE 68 1.000 1.619 5.828 -4.139 -99.200 -91.000 PHE 77 1.000 1.039 16.453 8.860 -99.200 -91.000 TRP 117 1.040 14.970 8.597 24.887 -99.200 -91.000 TRP6 117 1.020 12.790 7.825 24.382 -99.200 -91.000 PHE 130 1.000 14.355 15.871 0.274 -99.200 -91.000 PHE 142 1.000 2.279 -3.468 -0.229 -99.200 -91.000 PHE 143 1.000 7.808 -2.826 1.478 -99.200 -91.000 PHE 152 1.000 12.845 -0.451 9.870 -99.200 -91.000 HIS 170 0.900 3.106 -0.762 13.596 -99.200 -91.000 PHE 172 1.000 1.671 4.770 20.888 -99.200 -91.000 PHE 179 1.000 -3.110 0.927 4.690 -99.200 -91.000 TYR 185 0.840 -12.701 -10.709 4.309 -99.200 -91.000 PHE 187 1.000 -0.703 -12.991 2.983 -99.200 -91.000 TYR 201 0.840 -6.504 -10.026 16.211 -99.200 -91.000 PHE 221 1.000 -0.767 -0.547 13.498 -99.200 -91.000 PHE 229 1.000 6.112 2.546 23.431 -99.200 -91.000 TYR 233 0.840 4.313 -5.068 17.554 -99.200 -91.000 TYR 234 0.840 7.940 -6.221 20.654 -99.200 -91.000 PHE 251 1.000 6.782 -15.871 17.181 -99.200 -91.000 PHE 266 1.000 13.038 -6.315 21.803 -99.200 -91.000 PHE 273 1.000 9.018 -2.334 23.314 -99.200 -91.000 PHE 274 1.000 8.737 0.313 28.268 -99.200 -91.000 PHE 277 1.000 10.184 2.852 20.989 -99.200 -91.000