============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 3 1.000 -7.972 -29.378 13.501 -99.200 -91.000 HIS 9 0.900 0.763 -30.784 6.061 -99.200 -91.000 HIS 63 0.900 -8.569 -38.243 12.037 -99.200 -91.000 PHE 75 1.000 -7.752 -22.024 13.438 -99.200 -91.000 PHE 76 1.000 -4.356 -16.340 7.369 -99.200 -91.000 PHE 106 1.000 -2.172 -18.760 20.626 -99.200 -91.000 PHE 116 1.000 -20.034 -20.979 8.323 -99.200 -91.000 TRP 122 1.040 -25.901 -24.858 -5.888 -99.200 -91.000 TRP6 122 1.020 -24.759 -25.014 -7.955 -99.200 -91.000 PHE 128 1.000 -17.715 -23.841 -18.360 -99.200 -91.000 PHE 144 1.000 -11.044 -2.610 -18.338 -99.200 -91.000 HIS 148 0.900 -16.087 -0.032 -9.564 -99.200 -91.000 TYR 153 0.840 -30.624 -6.246 -9.840 -99.200 -91.000 TYR 154 0.840 -29.204 -4.515 -15.120 -99.200 -91.000 PHE 160 1.000 -17.649 -15.412 -15.527 -99.200 -91.000 HIS 175 0.900 -21.044 6.628 -18.307 -99.200 -91.000 HIS 191 0.900 -27.446 -21.443 -18.672 -99.200 -91.000 HIS 226 0.900 -16.237 -28.484 -7.869 -99.200 -91.000 PHE 230 1.000 -7.725 -24.026 -1.611 -99.200 -91.000 PHE 232 1.000 -16.407 -18.166 -5.222 -99.200 -91.000 PHE 241 1.000 -23.940 -7.667 -18.260 -99.200 -91.000 TYR 244 0.840 -20.858 -9.728 -27.505 -99.200 -91.000 HIS 255 0.900 -10.937 -0.741 -39.377 -99.200 -91.000 PHE 267 1.000 -5.705 8.519 -24.572 -99.200 -91.000 PHE 278 1.000 -16.321 14.067 -16.569 -99.200 -91.000 TYR 284 0.840 -7.607 17.101 -36.498 -99.200 -91.000 TYR 310 0.840 -7.487 7.634 -39.860 -99.200 -91.000 PHE 319 1.000 -12.365 8.318 -27.553 -99.200 -91.000 TYR 323 0.840 -15.000 5.881 -18.795 -99.200 -91.000 TYR 359 0.840 -10.957 -4.324 -23.869 -99.200 -91.000