============================================================================= 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 3.770 -6.153 7.488 -99.200 -91.000 TYR 25 0.840 3.290 -3.542 11.735 -99.200 -91.000 PHE 32 1.000 -8.708 -1.782 13.903 -99.200 -91.000 HIS 42 0.900 3.628 17.071 -3.664 -99.200 -91.000 TYR 52 0.840 -0.328 2.789 -0.490 -99.200 -91.000 HIS 58 0.900 -6.309 10.609 -2.563 -99.200 -91.000 HIS 73 0.900 -1.117 33.613 15.079 -99.200 -91.000 PHE 76 1.000 4.206 31.416 13.860 -99.200 -91.000 TYR 79 0.840 2.678 25.784 12.945 -99.200 -91.000 TYR 80 0.840 -3.961 31.383 11.171 -99.200 -91.000 HIS 85 0.900 -6.287 17.786 5.644 -99.200 -91.000 TYR 86 0.840 -5.387 17.472 12.652 -99.200 -91.000 TRP 88 1.040 -13.594 18.921 4.206 -99.200 -91.000 TRP6 88 1.020 -12.638 16.987 3.218 -99.200 -91.000 PHE 94 1.000 -15.464 11.585 14.727 -99.200 -91.000 HIS 95 0.900 -20.130 16.541 11.536 -99.200 -91.000 PHE 97 1.000 -16.153 8.569 4.691 -99.200 -91.000 TYR 99 0.840 -16.220 5.131 9.465 -99.200 -91.000 PHE 115 1.000 -1.896 2.933 15.179 -99.200 -91.000 PHE 116 1.000 -3.967 -1.089 12.366 -99.200 -91.000 TYR 118 0.840 -2.384 1.967 23.003 -99.200 -91.000 PHE 119 1.000 -4.771 3.957 19.110 -99.200 -91.000 TYR 123 0.840 -14.621 2.254 20.586 -99.200 -91.000 TRP 133 1.040 -8.904 14.832 26.478 -99.200 -91.000 TRP6 133 1.020 -9.245 16.985 25.571 -99.200 -91.000 TRP 138 1.040 4.754 11.322 21.597 -99.200 -91.000 TRP6 138 1.020 6.178 10.804 19.779 -99.200 -91.000 TYR 156 0.840 3.037 4.699 33.003 -99.200 -91.000 PHE 160 1.000 1.944 17.777 27.051 -99.200 -91.000 PHE 161 1.000 -4.333 15.686 22.162 -99.200 -91.000 TRP 166 1.040 -4.845 12.604 18.089 -99.200 -91.000 TRP6 166 1.020 -6.880 13.732 18.497 -99.200 -91.000 TRP 173 1.040 -15.774 16.769 14.796 -99.200 -91.000 TRP6 173 1.020 -13.830 18.121 14.858 -99.200 -91.000 TRP 180 1.040 -10.511 22.854 14.553 -99.200 -91.000 TRP6 180 1.020 -9.824 21.048 15.922 -99.200 -91.000 PHE 184 1.000 0.045 28.401 16.261 -99.200 -91.000 TRP 185 1.040 -4.131 20.430 15.492 -99.200 -91.000 TRP6 185 1.020 -4.300 18.461 16.792 -99.200 -91.000 TRP 188 1.040 -8.706 25.744 21.053 -99.200 -91.000 TRP6 188 1.020 -10.138 23.923 20.588 -99.200 -91.000 PHE 211 1.000 7.788 8.872 8.242 -99.200 -91.000 HIS 218 0.900 14.224 25.264 12.513 -99.200 -91.000 PHE 221 1.000 9.197 19.156 20.553 -99.200 -91.000 PHE 222 1.000 12.568 14.352 13.341 -99.200 -91.000 HIS 225 0.900 11.063 14.902 23.357 -99.200 -91.000 PHE 228 1.000 17.627 12.054 19.843 -99.200 -91.000 PHE 235 1.000 0.357 -8.134 18.643 -99.200 -91.000 PHE 238 1.000 -1.199 -2.963 24.717 -99.200 -91.000 TYR 245 0.840 -3.322 -1.071 34.120 -99.200 -91.000 TYR 251 0.840 -3.251 5.538 36.536 -99.200 -91.000 PHE 255 1.000 1.110 5.949 38.503 -99.200 -91.000 TYR 260 0.840 2.297 11.829 46.026 -99.200 -91.000 TYR 285 0.840 6.914 18.987 40.387 -99.200 -91.000 PHE 291 1.000 8