============================================================================= 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. PHE 7 1.000 42.735 79.645 9.941 -99.200 -91.000 TYR 37 0.840 31.106 67.858 18.398 -99.200 -91.000 PHE 45 1.000 30.131 55.567 23.063 -99.200 -91.000 PHE 59 1.000 35.787 66.268 15.777 -99.200 -91.000 HIS 70 0.900 37.097 44.431 11.328 -99.200 -91.000 TYR 72 0.840 32.988 49.346 13.118 -99.200 -91.000 PHE 75 1.000 31.338 61.369 16.542 -99.200 -91.000 TYR 85 0.840 22.202 56.124 21.428 -99.200 -91.000 HIS 89 0.900 33.974 53.088 5.584 -99.200 -91.000 TRP 94 1.040 32.573 60.840 -11.812 -99.200 -91.000 TRP6 94 1.020 33.646 59.864 -13.681 -99.200 -91.000 TRP 98 1.040 32.929 62.584 4.160 -99.200 -91.000 TRP6 98 1.020 34.100 63.106 2.181 -99.200 -91.000 TYR 100 0.840 29.997 62.283 10.300 -99.200 -91.000 TYR 111 0.840 16.747 64.292 15.736 -99.200 -91.000 PHE 115 1.000 23.432 60.375 3.221 -99.200 -91.000 HIS 117 0.900 30.197 65.170 -3.597 -99.200 -91.000 PHE 133 1.000 20.145 60.845 -1.097 -99.200 -91.000 PHE 137 1.000 18.636 58.252 3.515 -99.200 -91.000 PHE 143 1.000 18.745 47.079 13.895 -99.200 -91.000 PHE 147 1.000 22.063 46.318 9.240 -99.200 -91.000 TYR 164 0.840 10.252 52.813 -0.597 -99.200 -91.000 PHE 182 1.000 23.811 45.260 4.436 -99.200 -91.000 TYR 188 0.840 28.653 52.814 13.846 -99.200 -91.000 PHE 191 1.000 26.085 52.059 20.787 -99.200 -91.000