============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 16.462 32.201 34.364 -99.200 -91.000 TYR 6 0.840 8.639 40.887 26.661 -99.200 -91.000 HIS 15 0.900 -5.566 19.888 3.928 -99.200 -91.000 PHE 18 1.000 -9.253 22.995 6.792 -99.200 -91.000 TYR 21 0.840 -8.382 18.794 15.938 -99.200 -91.000 HIS 33 0.900 -6.704 31.978 23.715 -99.200 -91.000 PHE 42 1.000 3.475 23.676 30.824 -99.200 -91.000 TYR 43 0.840 9.163 28.241 27.864 -99.200 -91.000 HIS 49 0.900 6.581 37.727 29.721 -99.200 -91.000 TRP 58 1.040 0.432 25.593 5.981 -99.200 -91.000 TRP6 58 1.020 2.339 24.195 6.191 -99.200 -91.000 PHE 77 1.000 7.599 24.901 10.553 -99.200 -91.000 TRP 80 1.040 6.904 27.220 4.256 -99.200 -91.000 TRP6 80 1.020 5.852 27.897 6.265 -99.200 -91.000 HIS 91 0.900 7.841 33.843 12.362 -99.200 -91.000 HIS 93 0.900 10.622 28.477 18.273 -99.200 -91.000 PHE 102 1.000 6.628 14.538 13.209 -99.200 -91.000 TYR 111 0.840 16.991 22.899 13.144 -99.200 -91.000 HIS 120 0.900 19.760 25.875 11.986 -99.200 -91.000 HIS 128 0.900 1.480 14.316 22.254 -99.200 -91.000 TRP 134 1.040 -0.854 15.326 29.073 -99.200 -91.000 TRP6 134 1.020 -2.726 13.874 29.191 -99.200 -91.000 HIS 141 0.900 11.157 18.048 25.245 -99.200 -91.000 HIS 145 0.900 15.424 19.652 22.923 -99.200 -91.000 HIS 150 0.900 21.776 21.099 26.098 -99.200 -91.000 HIS 151 0.900 15.915 15.152 25.264 -99.200 -91.000 TYR 175 0.840 3.372 17.965 32.158 -99.200 -91.000 PHE 177 1.000 10.782 24.790 30.727 -99.200 -91.000 TYR 185 0.840 16.051 30.953 29.315 -99.200 -91.000 TYR 188 0.840 20.201 30.151 23.764 -99.200 -91.000 HIS 192 0.900 24.435 30.343 22.554 -99.200 -91.000