============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TRP 10 1.040 -14.993 13.748 1.736 -99.200 -91.000 TRP6 10 1.020 -17.014 13.514 2.945 -99.200 -91.000 PHE 15 1.000 -3.742 9.413 8.291 -99.200 -91.000 TYR 17 0.840 -4.408 18.187 4.253 -99.200 -91.000 PHE 27 1.000 -7.085 8.954 -12.203 -99.200 -91.000 HIS 39 0.900 -8.082 19.329 4.993 -99.200 -91.000 PHE 47 1.000 -17.925 6.850 3.971 -99.200 -91.000 PHE 61 1.000 -6.892 7.463 1.034 -99.200 -91.000 TYR 62 0.840 -11.223 6.572 10.714 -99.200 -91.000 HIS 64 0.900 -7.493 -2.670 10.598 -99.200 -91.000 PHE 67 1.000 -12.024 1.897 5.634 -99.200 -91.000 TYR 70 0.840 -16.699 4.168 7.964 -99.200 -91.000 PHE 85 1.000 -2.823 -3.384 -6.244 -99.200 -91.000 TYR 90 0.840 5.276 -6.387 3.226 -99.200 -91.000 PHE 92 1.000 1.279 -7.349 7.736 -99.200 -91.000 TRP 94 1.040 -3.866 -8.014 -0.114 -99.200 -91.000 TRP6 94 1.020 -5.109 -6.288 -1.152 -99.200 -91.000 TYR 99 0.840 -17.888 -6.733 8.394 -99.200 -91.000 TYR 106 0.840 -7.822 -1.240 -3.840 -99.200 -91.000 TYR 111 0.840 -0.947 3.584 10.841 -99.200 -91.000 TYR 117 0.840 17.778 1.051 21.184 -99.200 -91.000 TRP 129 1.040 8.179 -8.139 27.129 -99.200 -91.000 TRP6 129 1.020 7.442 -6.087 28.055 -99.200 -91.000 PHE 149 1.000 4.536 -0.701 28.820 -99.200 -91.000 TYR 155 0.840 -2.319 0.280 19.944 -99.200 -91.000 PHE 156 1.000 0.134 2.994 23.955 -99.200 -91.000 TRP 158 1.040 -3.375 -7.930 22.528 -99.200 -91.000 TRP6 158 1.020 -4.830 -9.111 23.970 -99.200 -91.000 TYR 167 0.840 -7.039 -16.810 21.081 -99.200 -91.000 PHE 169 1.000 -13.566 -11.030 19.545 -99.200 -91.000 TYR 171 0.840 -9.339 -13.584 9.892 -99.200 -91.000 TYR 176 0.840 -11.326 -11.156 13.236 -99.200 -91.000 PHE 194 1.000 8.065 -10.174 33.136 -99.200 -91.000 HIS 203 0.900 12.123 -4.222 38.833 -99.200 -91.000 TYR 210 0.840 1.237 8.800 24.014 -99.200 -91.000 PHE 217 1.000 13.080 7.345 24.762 -99.200 -91.000 TRP 230 1.040 1.528 7.203 17.863 -99.200 -91.000 TRP6 230 1.020 0.907 4.983 17.325 -99.200 -91.000 TRP 232 1.040 9.009 6.523 15.504 -99.200 -91.000 TRP6 232 1.020 8.985 5.533 13.362 -99.200 -91.000 TYR 242 0.840 14.303 8.321 18.036 -99.200 -91.000 PHE 250 1.000 6.024 -13.527 29.488 -99.200 -91.000 PHE 258 1.000 -5.100 -5.990 19.696 -99.200 -91.000 PHE 279 1.000 -5.968 8.607 -6.870 -99.200 -91.000 TYR 283 0.840 -2.591 7.088 -12.444 -99.200 -91.000 TYR 307 0.840 7.758 4.472 -0.865 -99.200 -91.000 PHE 339 1.000 -9.518 -7.417 23.253 -99.200 -91.000 TRP 340 1.040 -10.721 -1.979 21.357 -99.200 -91.000 TRP6 340 1.020 -8.389 -2.362 21.466 -99.200 -91.000 TYR 341 0.840 -15.377 0.965 26.146 -99.200 -91.000