============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 75.947 -6.668 -4.854 -99.200 -91.000 TRP6 14 1.020 75.984 -7.161 -7.171 -99.200 -91.000 PHE 19 1.000 83.069 -8.974 13.025 -99.200 -91.000 TRP 37 1.040 83.777 6.510 -2.089 -99.200 -91.000 TRP6 37 1.020 83.482 7.780 -0.115 -99.200 -91.000 HIS 43 0.900 68.857 1.610 10.914 -99.200 -91.000 TYR 47 0.840 66.934 5.052 15.558 -99.200 -91.000 TRP 49 1.040 66.516 1.748 19.719 -99.200 -91.000 TRP6 49 1.020 66.073 0.396 17.820 -99.200 -91.000 PHE 53 1.000 77.827 1.132 16.690 -99.200 -91.000 HIS 65 0.900 78.186 -18.622 0.777 -99.200 -91.000 TYR 70 0.840 90.017 -15.279 8.065 -99.200 -91.000 TYR 84 0.840 82.365 11.968 4.077 -99.200 -91.000 HIS 86 0.900 70.863 13.728 2.779 -99.200 -91.000 TYR 89 0.840 69.613 9.215 10.065 -99.200 -91.000 TRP 91 1.040 68.480 11.331 14.626 -99.200 -91.000 TRP6 91 1.020 67.874 11.240 16.908 -99.200 -91.000 TYR 113 0.840 84.692 -16.271 -4.567 -99.200 -91.000 HIS 115 0.900 82.638 -6.302 -10.425 -99.200 -91.000 HIS 129 0.900 57.685 1.406 -14.539 -99.200 -91.000 PHE 132 1.000 58.815 -4.014 -13.991 -99.200 -91.000 TRP 139 1.040 75.871 -13.346 6.062 -99.200 -91.000 TRP6 139 1.020 76.949 -11.766 4.699 -99.200 -91.000 TRP 146 1.040 64.269 -17.376 18.320 -99.200 -91.000 TRP6 146 1.020 64.889 -15.263 17.460 -99.200 -91.000 PHE 183 1.000 62.654 0.600 -3.200 -99.200 -91.000 TYR 187 0.840 56.042 -12.178 -2.871 -99.200 -91.000 PHE 206 1.000 64.406 -4.026 -3.649 -99.200 -91.000 TYR 212 0.840 65.575 -2.297 -21.486 -99.200 -91.000 TRP 216 1.040 72.713 -8.964 -10.985 -99.200 -91.000 TRP6 216 1.020 70.613 -9.340 -10.001 -99.200 -91.000 TYR 217 0.840 71.985 -0.589 -13.534 -99.200 -91.000 TRP 224 1.040 61.038 2.718 7.466 -99.200 -91.000 TRP6 224 1.020 58.768 2.446 8.055 -99.200 -91.000 TYR 234 0.840 52.976 -4.518 1.757 -99.200 -91.000 PHE 236 1.000 57.502 1.483 4.439 -99.200 -91.000 TYR 237 0.840 63.335 -3.019 0.968 -99.200 -91.000 HIS 239 0.900 63.627 5.990 -5.274 -99.200 -91.000 PHE 241 1.000 67.148 8.575 -10.256 -99.200 -91.000 TRP 246 1.040 74.587 13.056 0.526 -99.200 -91.000 TRP6 246 1.020 74.994 10.959 1.540 -99.200 -91.000