============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 18.042 0.428 68.365 -99.200 -91.000 TRP6 14 1.020 18.752 -1.004 70.115 -99.200 -91.000 PHE 19 1.000 18.089 4.071 50.931 -99.200 -91.000 TRP 37 1.040 3.303 -2.887 63.864 -99.200 -91.000 TRP6 37 1.020 1.850 -1.377 62.772 -99.200 -91.000 HIS 43 0.900 10.484 15.781 59.385 -99.200 -91.000 TYR 47 0.840 6.929 20.468 55.123 -99.200 -91.000 TRP 49 1.040 9.402 21.870 51.145 -99.200 -91.000 TRP6 49 1.020 11.421 21.076 52.083 -99.200 -91.000 PHE 53 1.000 7.984 10.126 49.766 -99.200 -91.000 HIS 65 0.900 29.244 -0.837 60.350 -99.200 -91.000 TYR 70 0.840 21.935 -6.684 49.053 -99.200 -91.000 TYR 84 0.840 -1.416 2.182 60.030 -99.200 -91.000 HIS 86 0.900 -0.836 11.878 66.878 -99.200 -91.000 TYR 89 0.840 3.145 15.962 60.390 -99.200 -91.000 TRP 91 1.040 0.953 19.855 57.433 -99.200 -91.000 TRP6 91 1.020 0.751 21.750 56.026 -99.200 -91.000 PHE 110 1.000 12.883 -9.362 65.923 -99.200 -91.000 TYR 113 0.840 25.118 -8.813 61.836 -99.200 -91.000 HIS 115 0.900 16.828 -8.053 69.778 -99.200 -91.000 TYR 132 0.840 19.469 11.528 84.281 -99.200 -91.000 TRP 139 1.040 22.770 6.018 57.784 -99.200 -91.000 TRP6 139 1.020 24.139 4.107 57.613 -99.200 -91.000 PHE 169 1.000 13.655 14.276 73.801 -99.200 -91.000 TYR 173 0.840 27.871 17.228 74.422 -99.200 -91.000 PHE 192 1.000 18.090 11.524 72.905 -99.200 -91.000 PHE 198 1.000 16.837 3.062 87.311 -99.200 -91.000 TRP 202 1.040 21.010 -0.094 74.536 -99.200 -91.000 TRP6 202 1.020 22.169 1.952 74.551 -99.200 -91.000 TYR 203 0.840 13.405 0.960 78.336 -99.200 -91.000 TRP 210 1.040 11.471 20.884 65.353 -99.200 -91.000 TRP6 210 1.020 12.274 23.038 66.009 -99.200 -91.000 TYR 220 0.840 20.776 23.853 72.749 -99.200 -91.000 PHE 222 1.000 13.819 22.238 69.853 -99.200 -91.000 TYR 223 0.840 16.629 14.544 69.280 -99.200 -91.000 HIS 225 0.900 8.148 13.004 76.095 -99.200 -91.000 PHE 227 1.000 5.072 7.465 78.779 -99.200 -91.000 TRP 232 1.040 -1.429 7.715 66.721 -99.200 -91.000 TRP6 232 1.020 0.547 7.235 65.496 -99.200 -91.000 PHE 240 1.000 -2.021 -5.966 63.805 -99.200 -91.000