============================================================================= 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 12 1.000 -5.267 9.007 40.134 -99.200 -91.000 TYR 17 0.840 -1.356 12.299 42.872 -99.200 -91.000 PHE 18 1.000 -5.059 15.415 41.304 -99.200 -91.000 TRP 23 1.040 1.387 13.266 46.179 -99.200 -91.000 TRP6 23 1.020 1.544 10.998 46.891 -99.200 -91.000 TYR 24 0.840 7.842 16.077 51.098 -99.200 -91.000 TYR 28 0.840 16.092 13.590 39.182 -99.200 -91.000 TYR 40 0.840 16.005 20.383 39.953 -99.200 -91.000 TYR 58 0.840 11.178 24.017 46.561 -99.200 -91.000 HIS 59 0.900 10.470 22.132 39.222 -99.200 -91.000 TYR 60 0.840 17.524 24.696 46.634 -99.200 -91.000 PHE 68 1.000 12.029 26.253 38.542 -99.200 -91.000 TYR 69 0.840 7.975 27.775 46.166 -99.200 -91.000 TYR 82 0.840 -5.397 14.460 36.090 -99.200 -91.000 PHE 86 1.000 4.851 25.989 32.726 -99.200 -91.000 TYR 104 0.840 1.425 21.575 26.536 -99.200 -91.000 TYR 105 0.840 2.566 20.325 34.868 -99.200 -91.000 PHE 107 1.000 1.354 14.947 37.744 -99.200 -91.000 TYR 111 0.840 1.329 2.037 43.055 -99.200 -91.000 HIS 120 0.900 5.395 10.803 30.813 -99.200 -91.000 HIS 124 0.900 5.129 19.619 25.297 -99.200 -91.000 TYR 134 0.840 8.719 7.430 32.766 -99.200 -91.000 PHE 160 1.000 13.942 3.054 42.787 -99.200 -91.000 PHE 163 1.000 12.807 5.929 37.957 -99.200 -91.000 TYR 173 0.840 11.532 18.762 50.002 -99.200 -91.000