============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 5 1.040 20.204 -28.238 -18.490 -99.200 -91.000 TRP6 5 1.020 22.466 -28.338 -17.850 -99.200 -91.000 HIS 14 0.900 22.790 -18.275 -25.617 -99.200 -91.000 TRP 18 1.040 39.271 -18.475 -19.683 -99.200 -91.000 TRP6 18 1.020 40.041 -18.267 -17.451 -99.200 -91.000 TYR 29 0.840 29.032 -12.862 -11.984 -99.200 -91.000 TYR 30 0.840 26.344 -9.627 -4.530 -99.200 -91.000 TYR 36 0.840 22.530 -26.539 -3.601 -99.200 -91.000 TRP 42 1.040 29.790 -21.965 0.109 -99.200 -91.000 TRP6 42 1.020 28.936 -22.170 -2.079 -99.200 -91.000 PHE 46 1.000 23.731 -22.997 0.207 -99.200 -91.000 PHE 67 1.000 33.763 -19.193 -3.462 -99.200 -91.000 PHE 69 1.000 30.927 -19.800 3.886 -99.200 -91.000 PHE 79 1.000 34.094 -12.879 5.144 -99.200 -91.000 TYR 90 0.840 26.906 -32.938 -17.979 -99.200 -91.000 TYR 92 0.840 28.733 -28.531 -23.537 -99.200 -91.000 PHE 98 1.000 32.114 -21.278 -13.018 -99.200 -91.000 TYR 100 0.840 32.966 -23.575 -7.591 -99.200 -91.000 PHE 108 1.000 32.576 -29.082 -3.101 -99.200 -91.000 TYR 114 0.840 20.882 -18.154 -20.597 -99.200 -91.000 TYR 123 0.840 22.548 -30.585 -12.962 -99.200 -91.000 TYR 134 0.840 19.137 -27.213 -12.592 -99.200 -91.000 TRP 137 1.040 26.119 -18.725 -8.692 -99.200 -91.000 TRP6 137 1.020 27.581 -18.327 -6.887 -99.200 -91.000 TYR 141 0.840 22.485 -7.054 -3.039 -99.200 -91.000 PHE 152 1.000 16.926 -21.006 -10.211 -99.200 -91.000 TYR 155 0.840 17.975 -24.759 -18.765 -99.200 -91.000 PHE 165 1.000 24.323 -11.165 -0.774 -99.200 -91.000