============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 15 0.900 53.568 14.557 -34.610 -99.200 -91.000 HIS 36 0.900 48.250 27.898 -57.941 -99.200 -91.000 HIS 39 0.900 47.279 25.769 -54.182 -99.200 -91.000 PHE 58 1.000 41.946 12.469 -49.243 -99.200 -91.000 PHE 64 1.000 38.904 13.667 -58.307 -99.200 -91.000 TYR 73 0.840 44.088 14.879 -59.630 -99.200 -91.000 TYR 91 0.840 53.721 19.641 -37.077 -99.200 -91.000 PHE 93 1.000 46.238 14.001 -42.577 -99.200 -91.000 TYR 101 0.840 36.769 9.370 -48.360 -99.200 -91.000 HIS 103 0.900 35.872 -0.453 -44.015 -99.200 -91.000 TYR 110 0.840 24.837 12.750 -47.283 -99.200 -91.000 HIS 128 0.900 32.702 19.891 -56.851 -99.200 -91.000 PHE 129 1.000 30.048 23.605 -54.986 -99.200 -91.000 PHE 140 1.000 37.173 23.086 -40.880 -99.200 -91.000 PHE 150 1.000 38.694 26.814 -46.679 -99.200 -91.000 PHE 155 1.000 31.551 32.818 -56.931 -99.200 -91.000 TYR 170 0.840 33.148 21.790 -37.619 -99.200 -91.000 TYR 194 0.840 49.927 31.915 -75.457 -99.200 -91.000 TYR 207 0.840 41.100 45.120 -58.760 -99.200 -91.000 PHE 240 1.000 38.051 45.245 -70.930 -99.200 -91.000 TRP 270 1.040 33.365 37.306 -74.682 -99.200 -91.000 TRP6 270 1.020 34.513 35.349 -75.350 -99.200 -91.000