============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 21 1.000 65.229 -1.002 15.180 -99.200 -91.000 PHE 48 1.000 79.152 -1.565 13.056 -99.200 -91.000 PHE 74 1.000 74.587 -6.119 6.118 -99.200 -91.000 PHE 88 1.000 48.726 14.355 -2.580 -99.200 -91.000 TRP 100 1.040 42.821 6.242 -5.686 -99.200 -91.000 TRP6 100 1.020 41.797 6.344 -3.554 -99.200 -91.000 PHE 112 1.000 50.605 -8.620 -1.104 -99.200 -91.000 TYR 113 0.840 53.527 -4.731 -5.315 -99.200 -91.000 TYR 121 0.840 66.091 -13.906 3.211 -99.200 -91.000 TRP 122 1.040 62.239 -12.997 7.529 -99.200 -91.000 TRP6 122 1.020 60.667 -11.343 8.141 -99.200 -91.000 TYR 137 0.840 45.628 9.779 8.093 -99.200 -91.000 TRP 139 1.040 41.466 4.124 14.581 -99.200 -91.000 TRP6 139 1.020 43.801 3.976 14.848 -99.200 -91.000 HIS 147 0.900 45.582 11.660 -0.722 -99.200 -91.000 TRP 165 1.040 52.563 -14.894 6.270 -99.200 -91.000 TRP6 165 1.020 53.772 -13.135 5.275 -99.200 -91.000 TYR 169 0.840 54.966 -19.772 6.963 -99.200 -91.000 TYR 207 0.840 66.019 -1.550 20.864 -99.200 -91.000 TYR 208 0.840 57.822 -3.113 24.491 -99.200 -91.000 TYR 216 0.840 51.175 -14.219 24.027 -99.200 -91.000 HIS 227 0.900 43.294 7.845 19.084 -99.200 -91.000 HIS 229 0.900 34.833 11.353 19.836 -99.200 -91.000 TYR 231 0.840 36.394 21.025 23.322 -99.200 -91.000