============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 21.559 -5.861 -42.598 -99.200 -91.000 PHE 19 1.000 20.304 -9.945 -9.703 -99.200 -91.000 PHE 26 1.000 31.495 -18.107 -3.245 -99.200 -91.000 TYR 46 0.840 21.323 -10.560 -32.720 -99.200 -91.000 TYR 57 0.840 16.072 -14.341 -31.485 -99.200 -91.000 HIS 62 0.900 8.204 2.219 -24.792 -99.200 -91.000 TRP 72 1.040 12.063 -1.254 -18.119 -99.200 -91.000 TRP6 72 1.020 14.384 -1.732 -18.199 -99.200 -91.000 TYR 82 0.840 18.504 1.450 -22.598 -99.200 -91.000 HIS 111 0.900 13.285 -13.814 -22.864 -99.200 -91.000 HIS 113 0.900 11.870 -12.590 -18.552 -99.200 -91.000 HIS 116 0.900 15.871 -10.341 -24.253 -99.200 -91.000 TYR 122 0.840 7.675 1.676 -30.905 -99.200 -91.000 PHE 123 1.000 7.856 -4.542 -34.788 -99.200 -91.000 HIS 131 0.900 6.579 -21.999 -25.348 -99.200 -91.000 PHE 135 1.000 -0.435 -13.655 -25.482 -99.200 -91.000 TYR 141 0.840 4.888 -12.291 -13.490 -99.200 -91.000 PHE 142 1.000 -2.366 -5.699 -18.665 -99.200 -91.000 HIS 147 0.900 3.718 -2.896 -11.297 -99.200 -91.000 TYR 151 0.840 7.369 -12.328 -18.001 -99.200 -91.000 TRP 159 1.040 3.965 -5.619 -25.449 -99.200 -91.000 TRP6 159 1.020 4.731 -7.555 -24.328 -99.200 -91.000 TRP 166 1.040 -0.417 -10.981 -29.833 -99.200 -91.000 TRP6 166 1.020 1.711 -10.804 -28.811 -99.200 -91.000 PHE 187 1.000 16.804 -22.651 -28.196 -99.200 -91.000 HIS 191 0.900 15.999 -15.754 -18.741 -99.200 -91.000 PHE 208 1.000 26.853 -15.103 -37.263 -99.200 -91.000 TYR 216 0.840 21.136 -13.778 -18.536 -99.200 -91.000 TYR 221 0.840 27.941 -22.624 -25.898 -99.200 -91.000 HIS 232 0.900 9.462 -20.847 -14.891 -99.200 -91.000 TYR 237 0.840 20.542 -21.828 -18.059 -99.200 -91.000 HIS 243 0.900 18.101 -28.772 -29.103 -99.200 -91.000 TYR 247 0.840 19.888 -26.360 -34.641 -99.200 -91.000 PHE 257 1.000 27.501 -17.352 -26.118 -99.200 -91.000 HIS 259 0.900 21.043 -9.502 -22.197 -99.200 -91.000 PHE 264 1.000 26.086 -5.980 -29.353 -99.200 -91.000 PHE 274 1.000 25.479 -6.574 -45.783 -99.200 -91.000 TYR 275 0.840 28.620 -10.662 -38.977 -99.200 -91.000