============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 24 0.900 3.810 -6.067 7.631 -99.200 -91.000 TYR 25 0.840 3.345 -3.888 11.782 -99.200 -91.000 PHE 32 1.000 -8.661 -1.620 13.855 -99.200 -91.000 HIS 42 0.900 3.755 17.224 -3.658 -99.200 -91.000 TYR 52 0.840 -0.279 2.874 -0.606 -99.200 -91.000 HIS 58 0.900 -6.227 10.846 -2.610 -99.200 -91.000 HIS 73 0.900 -1.195 33.915 15.265 -99.200 -91.000 PHE 76 1.000 4.146 31.642 13.980 -99.200 -91.000 TYR 79 0.840 2.784 25.909 13.010 -99.200 -91.000 TYR 80 0.840 -3.987 31.588 11.383 -99.200 -91.000 HIS 85 0.900 -6.202 17.965 5.786 -99.200 -91.000 TYR 86 0.840 -5.384 17.537 12.726 -99.200 -91.000 TRP 88 1.040 -13.524 19.098 4.263 -99.200 -91.000 TRP6 88 1.020 -12.521 17.198 3.264 -99.200 -91.000 PHE 94 1.000 -15.536 11.702 14.712 -99.200 -91.000 HIS 95 0.900 -20.262 16.637 11.513 -99.200 -91.000 PHE 97 1.000 -15.981 8.610 4.674 -99.200 -91.000 TYR 99 0.840 -16.268 5.178 9.417 -99.200 -91.000 PHE 115 1.000 -1.986 2.869 15.141 -99.200 -91.000 PHE 116 1.000 -3.949 -1.096 12.398 -99.200 -91.000 TYR 118 0.840 -2.420 1.965 23.049 -99.200 -91.000 PHE 119 1.000 -4.844 3.921 19.127 -99.200 -91.000 TYR 123 0.840 -14.708 2.196 20.612 -99.200 -91.000 TRP 133 1.040 -8.952 14.882 26.599 -99.200 -91.000 TRP6 133 1.020 -9.298 17.066 25.767 -99.200 -91.000 TRP 138 1.040 4.555 11.485 21.434 -99.200 -91.000 TRP6 138 1.020 5.916 10.959 19.567 -99.200 -91.000 TYR 156 0.840 3.046 4.795 33.087 -99.200 -91.000 PHE 160 1.000 2.029 17.935 27.253 -99.200 -91.000 PHE 161 1.000 -4.362 15.787 22.272 -99.200 -91.000 TRP 166 1.040 -5.011 12.643 18.163 -99.200 -91.000 TRP6 166 1.020 -7.020 13.781 18.690 -99.200 -91.000 TRP 173 1.040 -15.866 16.858 14.870 -99.200 -91.000 TRP6 173 1.020 -13.925 18.220 14.940 -99.200 -91.000 TRP 180 1.040 -10.472 22.931 14.671 -99.200 -91.000 TRP6 180 1.020 -9.807 21.111 16.037 -99.200 -91.000 PHE 184 1.000 -0.096 28.702 16.497 -99.200 -91.000 TRP 185 1.040 -4.408 20.490 15.642 -99.200 -91.000 TRP6 185 1.020 -4.501 18.550 17.003 -99.200 -91.000 TRP 188 1.040 -8.693 25.787 21.226 -99.200 -91.000 TRP6 188 1.020 -10.092 23.937 20.756 -99.200 -91.000 PHE 211 1.000 7.825 8.803 8.377 -99.200 -91.000 HIS 218 0.900 11.305 27.443 11.287 -99.200 -91.000 PHE 221 1.000 9.187 19.060 20.400 -99.200 -91.000 PHE 222 1.000 12.792 14.358 13.288 -99.200 -91.000 HIS 225 0.900 11.330 15.046 23.352 -99.200 -91.000 PHE 228 1.000 17.883 12.071 19.911 -99.200 -91.000 PHE 235 1.000 0.367 -8.177 18.731 -99.200 -91.000 PHE 238 1.000 -1.187 -2.946 24.756 -99.200 -91.000 TYR 245 0.840 -3.285 -1.025 34.201 -99.200 -91.000 TYR 251 0.840 -3.247 5.632 36.641 -99.200 -91.000 PHE 255 1.000 1.188 6.055 38.641 -99.200 -91.000 TYR 260 0.840 2.411 11.922 46.205 -99.200 -91.000 TYR 285 0.840 7.004 19.139 40.569 -99.200 -91.000 PHE 291 1.000 8