============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 9 0.900 19.132 29.325 5.782 -99.200 -91.000 TRP 14 1.040 12.445 38.618 5.000 -99.200 -91.000 TRP6 14 1.020 14.477 37.584 5.577 -99.200 -91.000 PHE 44 1.000 37.874 46.084 12.657 -99.200 -91.000 HIS 57 0.900 21.604 54.303 8.446 -99.200 -91.000 TYR 68 0.840 19.553 50.860 12.794 -99.200 -91.000 PHE 73 1.000 16.493 47.191 10.488 -99.200 -91.000 PHE 78 1.000 23.039 39.742 15.764 -99.200 -91.000 HIS 84 0.900 34.482 37.446 15.382 -99.200 -91.000 PHE 86 1.000 32.888 41.055 28.270 -99.200 -91.000 TRP 89 1.040 24.730 34.837 26.290 -99.200 -91.000 TRP6 89 1.020 27.045 35.131 26.719 -99.200 -91.000 TYR 98 0.840 16.006 49.363 17.758 -99.200 -91.000 HIS 114 0.900 34.161 20.223 13.304 -99.200 -91.000 TRP 126 1.040 41.110 27.209 23.397 -99.200 -91.000 TRP6 126 1.020 39.073 26.025 23.460 -99.200 -91.000 TYR 128 0.840 42.539 31.488 21.470 -99.200 -91.000 TYR 131 0.840 42.835 30.272 7.919 -99.200 -91.000 HIS 138 0.900 35.825 32.716 16.175 -99.200 -91.000 PHE 141 1.000 35.855 30.011 22.033 -99.200 -91.000 PHE 142 1.000 27.885 31.591 21.872 -99.200 -91.000 PHE 144 1.000 21.139 22.651 18.044 -99.200 -91.000 PHE 149 1.000 19.678 33.071 18.661 -99.200 -91.000 TYR 154 0.840 15.235 37.152 19.521 -99.200 -91.000 TYR 163 0.840 26.254 18.108 8.690 -99.200 -91.000 HIS 166 0.900 32.304 14.260 9.260 -99.200 -91.000 TYR 168 0.840 39.133 14.871 13.097 -99.200 -91.000 TYR 176 0.840 26.808 7.078 20.681 -99.200 -91.000 TYR 182 0.840 32.204 6.732 31.838 -99.200 -91.000 PHE 188 1.000 30.904 13.027 20.725 -99.200 -91.000 PHE 194 1.000 34.071 24.876 10.482 -99.200 -91.000 TYR 196 0.840 24.737 23.459 15.327 -99.200 -91.000