============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 9 0.840 -6.424 -40.082 -7.024 -99.200 -91.000 TYR 14 0.840 4.023 -49.461 -2.105 -99.200 -91.000 PHE 37 1.000 -4.313 -30.898 1.351 -99.200 -91.000 TYR 40 0.840 -0.297 -35.017 5.797 -99.200 -91.000 TYR 46 0.840 5.358 -50.051 9.805 -99.200 -91.000 TYR 62 0.840 9.772 -42.033 9.877 -99.200 -91.000 TYR 79 0.840 0.061 -19.720 1.178 -99.200 -91.000 HIS 87 0.900 4.966 -41.807 13.856 -99.200 -91.000 TYR 100 0.840 0.313 -24.494 3.093 -99.200 -91.000 TYR 106 0.840 -3.882 -22.408 0.814 -99.200 -91.000 PHE 123 1.000 6.950 -47.971 5.499 -99.200 -91.000 PHE 135 1.000 -3.401 -43.912 2.680 -99.200 -91.000 PHE 151 1.000 -8.482 -30.928 8.975 -99.200 -91.000 TRP 153 1.040 -9.439 -21.767 0.728 -99.200 -91.000 TRP6 153 1.020 -8.274 -21.187 -1.255 -99.200 -91.000 TYR 154 0.840 -13.551 -21.399 2.788 -99.200 -91.000 TYR 162 0.840 -11.063 -37.557 0.634 -99.200 -91.000 PHE 163 1.000 -11.870 -43.219 -5.206 -99.200 -91.000 PHE 187 1.000 19.947 -79.975 7.574 -99.200 -91.000