============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 6 0.840 47.453 13.959 94.902 -99.200 -91.000 HIS 24 0.900 26.286 48.733 95.743 -99.200 -91.000 HIS 41 0.900 15.896 28.834 115.097 -99.200 -91.000 TYR 55 0.840 34.818 40.159 94.241 -99.200 -91.000 PHE 70 1.000 39.396 20.121 118.456 -99.200 -91.000 HIS 78 0.900 49.370 4.455 131.658 -99.200 -91.000 TYR 88 0.840 63.918 -8.139 136.324 -99.200 -91.000 PHE 93 1.000 53.754 -8.609 137.141 -99.200 -91.000 TRP 96 1.040 46.256 2.874 132.204 -99.200 -91.000 TRP6 96 1.020 46.010 3.507 129.937 -99.200 -91.000 PHE 110 1.000 39.362 11.962 121.344 -99.200 -91.000 PHE 113 1.000 33.386 17.172 118.793 -99.200 -91.000 TYR 115 0.840 25.699 10.164 121.956 -99.200 -91.000 PHE 118 1.000 37.931 7.731 118.886 -99.200 -91.000 HIS 134 0.900 77.605 -1.133 131.792 -99.200 -91.000 HIS 137 0.900 68.468 -7.746 123.633 -99.200 -91.000 TYR 142 0.840 55.223 -2.087 125.526 -99.200 -91.000 TYR 144 0.840 43.127 -4.596 123.704 -99.200 -91.000 TYR 158 0.840 47.345 -19.358 131.867 -99.200 -91.000 TRP 160 1.040 53.253 -12.281 131.479 -99.200 -91.000 TRP6 160 1.020 52.798 -10.032 130.888 -99.200 -91.000 PHE 169 1.000 56.635 -10.552 122.469 -99.200 -91.000 TRP 170 1.040 60.877 -0.864 121.089 -99.200 -91.000 TRP6 170 1.020 62.098 -0.143 122.983 -99.200 -91.000 HIS 172 0.900 68.637 -0.439 123.820 -99.200 -91.000 PHE 176 1.000 60.443 6.438 119.451 -99.200 -91.000 PHE 179 1.000 49.097 -1.335 119.357 -99.200 -91.000 PHE 183 1.000 32.962 2.307 117.549 -99.200 -91.000 TYR 190 0.840 35.127 4.241 121.214 -99.200 -91.000 TYR 191 0.840 26.564 5.664 125.348 -99.200 -91.000 PHE 193 1.000 30.544 14.784 128.590 -99.200 -91.000 TYR 194 0.840 25.161 5.354 130.001 -99.200 -91.000 TYR 197 0.840 22.544 6.358 138.093 -99.200 -91.000 TYR 202 0.840 21.796 1.320 148.479 -99.200 -91.000 TYR 206 0.840 25.317 9.858 136.767 -99.200 -91.000 HIS 228 0.900 75.312 -2.613 136.027 -99.200 -91.000 TYR 237 0.840 53.264 10.134 123.320 -99.200 -91.000 HIS 238 0.900 43.435 7.533 120.875 -99.200 -91.000 HIS 242 0.900 40.594 5.576 109.438 -99.200 -91.000 TRP 246 1.040 26.777 11.446 115.271 -99.200 -91.000 TRP6 246 1.020 28.406 9.729 115.285 -99.200 -91.000 TYR 256 0.840 38.632 17.017 132.245 -99.200 -91.000 HIS 258 0.900 38.758 11.549 141.669 -99.200 -91.000 HIS 260 0.900 35.788 5.922 132.649 -99.200 -91.000 TYR 264 0.840 32.034 21.378 139.640 -99.200 -91.000 HIS 271 0.900 38.924 35.350 142.109 -99.200 -91.000