============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 -4.687 7.666 7.330 -99.200 -91.000 TYR 7 0.840 6.776 9.704 3.795 -99.200 -91.000 TYR 14 0.840 10.395 2.219 9.318 -99.200 -91.000 PHE 15 1.000 6.040 5.973 9.898 -99.200 -91.000 PHE 19 1.000 0.033 -0.508 6.862 -99.200 -91.000 PHE 23 1.000 2.975 2.146 11.484 -99.200 -91.000 TRP 25 1.040 3.004 5.313 17.241 -99.200 -91.000 TRP6 25 1.020 2.654 6.429 19.304 -99.200 -91.000 TYR 31 0.840 3.590 17.523 28.131 -99.200 -91.000 PHE 36 1.000 9.263 12.823 32.978 -99.200 -91.000 HIS 40 0.900 3.605 -0.764 22.120 -99.200 -91.000 TYR 51 0.840 -4.319 4.063 13.827 -99.200 -91.000 PHE 60 1.000 1.302 15.316 32.298 -99.200 -91.000 TRP 74 1.040 -0.850 19.350 21.254 -99.200 -91.000 TRP6 74 1.020 0.922 19.526 22.813 -99.200 -91.000 TYR 82 0.840 18.187 10.868 13.915 -99.200 -91.000 HIS 103 0.900 2.793 29.498 22.362 -99.200 -91.000 HIS 109 0.900 12.947 12.555 24.442 -99.200 -91.000 TYR 112 0.840 7.833 7.281 14.505 -99.200 -91.000 PHE 126 1.000 17.947 14.950 10.039 -99.200 -91.000 HIS 127 0.900 12.165 11.537 6.627 -99.200 -91.000 PHE 128 1.000 14.193 18.865 8.361 -99.200 -91.000 HIS 131 0.900 3.253 14.892 12.028 -99.200 -91.000 HIS 143 0.900 -19.175 11.683 23.002 -99.200 -91.000 TYR 144 0.840 -12.018 15.797 24.145 -99.200 -91.000 TYR 147 0.840 -7.039 18.734 9.288 -99.200 -91.000 TYR 154 0.840 15.249 14.726 1.359 -99.200 -91.000 HIS 163 0.900 25.719 17.604 2.279 -99.200 -91.000 HIS 164 0.900 18.724 14.316 -0.336 -99.200 -91.000