============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 18 0.900 3.439 -4.845 79.048 -99.200 -91.000 PHE 19 1.000 0.279 2.743 80.620 -99.200 -91.000 TRP 23 1.040 13.894 -4.078 70.906 -99.200 -91.000 TRP6 23 1.020 13.573 -4.788 68.675 -99.200 -91.000 HIS 24 0.900 7.171 -4.511 75.427 -99.200 -91.000 TYR 27 0.840 3.166 -15.502 72.179 -99.200 -91.000 TRP 47 1.040 1.614 3.790 66.256 -99.200 -91.000 TRP6 47 1.020 0.501 3.732 64.192 -99.200 -91.000 PHE 50 1.000 7.426 -1.966 58.514 -99.200 -91.000 PHE 60 1.000 18.632 -0.400 57.589 -99.200 -91.000 TYR 61 0.840 23.784 -1.761 47.876 -99.200 -91.000 TRP 64 1.040 14.625 -12.433 48.175 -99.200 -91.000 TRP6 64 1.020 13.094 -10.875 47.307 -99.200 -91.000 TYR 67 0.840 16.504 -5.161 52.962 -99.200 -91.000 PHE 71 1.000 18.935 -5.404 57.208 -99.200 -91.000 PHE 78 1.000 14.030 -2.626 64.230 -99.200 -91.000 TRP 79 1.040 13.482 -5.261 56.399 -99.200 -91.000 TRP6 79 1.020 12.066 -3.501 55.706 -99.200 -91.000 HIS 86 0.900 2.566 -12.597 54.108 -99.200 -91.000 PHE 103 1.000 21.352 14.032 60.338 -99.200 -91.000 TYR 107 0.840 6.983 13.666 64.053 -99.200 -91.000 PHE 109 1.000 1.810 13.020 60.813 -99.200 -91.000 TYR 112 0.840 0.862 6.304 53.224 -99.200 -91.000 PHE 115 1.000 3.243 -1.930 55.061 -99.200 -91.000 TYR 124 0.840 9.113 -11.087 51.027 -99.200 -91.000 PHE 131 1.000 -0.935 11.348 52.804 -99.200 -91.000 PHE 142 1.000 6.465 6.215 41.557 -99.200 -91.000 HIS 143 0.900 7.991 3.409 45.591 -99.200 -91.000 PHE 148 1.000 11.921 -5.129 49.864 -99.200 -91.000 PHE 166 1.000 17.739 5.664 41.937 -99.200 -91.000 TRP 170 1.040 10.748 1.979 49.008 -99.200 -91.000 TRP6 170 1.020 10.844 2.118 51.365 -99.200 -91.000 TRP 171 1.040 7.536 -3.098 48.860 -99.200 -91.000 TRP6 171 1.020 7.818 -1.858 50.839 -99.200 -91.000 TYR 172 0.840 14.304 0.448 44.849 -99.200 -91.000 HIS 176 0.900 13.716 6.591 45.295 -99.200 -91.000 TYR 184 0.840 22.019 7.729 59.203 -99.200 -91.000 HIS 189 0.900 21.500 12.592 49.387 -99.200 -91.000 PHE 192 1.000 17.751 11.801 41.157 -99.200 -91.000 TRP 198 1.040 7.998 10.739 52.498 -99.200 -91.000 TRP6 198 1.020 7.338 8.509 52.923 -99.200 -91.000 TYR 204 0.840 13.457 12.094 43.993 -99.200 -91.000 TYR 206 0.840 17.822 16.650 55.036 -99.200 -91.000 TYR 208 0.840 13.432 12.874 56.110 -99.200 -91.000