============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 11 0.900 2.526 -2.628 92.359 -99.200 -91.000 HIS 14 0.900 -6.981 6.521 87.311 -99.200 -91.000 HIS 16 0.900 -2.573 -4.590 86.903 -99.200 -91.000 PHE 20 1.000 -6.311 -2.549 78.398 -99.200 -91.000 PHE 41 1.000 -6.623 -6.239 82.390 -99.200 -91.000 HIS 55 0.900 -12.977 -25.416 80.389 -99.200 -91.000 PHE 59 1.000 -18.143 -18.562 81.341 -99.200 -91.000 PHE 60 1.000 -15.624 -13.148 76.136 -99.200 -91.000 PHE 61 1.000 -14.953 -15.657 71.965 -99.200 -91.000 TYR 74 0.840 -17.075 -4.164 73.532 -99.200 -91.000 PHE 76 1.000 -14.653 1.235 73.173 -99.200 -91.000 PHE 81 1.000 -23.304 3.340 69.904 -99.200 -91.000 PHE 87 1.000 -34.916 4.662 60.953 -99.200 -91.000 HIS 99 0.900 -23.453 -2.436 61.916 -99.200 -91.000 HIS 111 0.900 -22.954 -3.397 49.869 -99.200 -91.000 TRP 126 1.040 -1.975 6.639 44.371 -99.200 -91.000 TRP6 126 1.020 -1.629 4.405 45.060 -99.200 -91.000 PHE 137 1.000 -4.655 4.454 49.263 -99.200 -91.000 PHE 138 1.000 -4.767 0.498 52.400 -99.200 -91.000 TYR 144 0.840 -13.308 9.371 50.362 -99.200 -91.000 PHE 155 1.000 -23.351 11.056 53.918 -99.200 -91.000 PHE 163 1.000 -17.911 11.661 57.510 -99.200 -91.000 TYR 167 0.840 -16.072 7.684 61.615 -99.200 -91.000 HIS 168 0.900 -6.918 8.853 62.938 -99.200 -91.000 TYR 179 0.840 -13.907 -0.502 79.319 -99.200 -91.000 TYR 183 0.840 -20.365 11.281 78.244 -99.200 -91.000 PHE 189 1.000 -12.447 10.063 77.337 -99.200 -91.000 PHE 232 1.000 -35.980 11.179 62.060 -99.200 -91.000 PHE 241 1.000 -26.573 9.288 57.406 -99.200 -91.000 PHE 246 1.000 -16.281 3.442 66.238 -99.200 -91.000 HIS 249 0.900 -12.532 4.620 59.152 -99.200 -91.000 HIS 250 0.900 -12.026 -0.442 64.799 -99.200 -91.000 TRP 258 1.040 -1.324 -3.921 60.805 -99.200 -91.000 TRP6 258 1.020 0.996 -4.153 61.194 -99.200 -91.000 HIS 266 0.900 6.454 -12.593 55.760 -99.200 -91.000 TYR 270 0.840 3.372 -7.648 46.482 -99.200 -91.000 TYR 281 0.840 -9.852 -9.997 39.181 -99.200 -91.000 PHE 289 1.000 -17.530 -14.775 38.584 -99.200 -91.000 HIS 290 0.900 -12.748 -13.645 39.086 -99.200 -91.000 HIS 309 0.900 0.084 -7.723 62.258 -99.200 -91.000 PHE 323 1.000 -22.217 -16.748 84.668 -99.200 -91.000 HIS 328 0.900 -9.030 -19.523 89.337 -99.200 -91.000 HIS 331 0.900 -17.664 -13.271 93.248 -99.200 -91.000 PHE 350 1.000 -3.961 -20.379 66.475 -99.200 -91.000 HIS 354 0.900 5.209 -14.795 68.930 -99.200 -91.000 PHE 356 1.000 2.158 -13.582 56.078 -99.200 -91.000 TYR 361 0.840 -4.877 -19.182 58.590 -99.200 -91.000 TRP 373 1.040 -14.731 -23.217 71.275 -99.200 -91.000 TRP6 373 1.020 -16.673 -21.958 70.764 -99.200 -91.000 TRP 375 1.040 -7.546 -17.867 63.051 -99.200 -91.000 TRP6 375 1.020 -9.229 -16.924 61.674 -99.200 -91.000 PHE 378 1.000 -13.379 -11.733 60.536 -99.200 -91.000 HIS 383 0.900 -23.109 -10.998 71.691 -99.200 -91.000 PHE 390 1.000 -19.024 -4.370 53.463 -99.200 -91.000 PHE 399 1.000 -4.774 -5.241 49.855 -99.200 -91.000 TYR 406 0.840 -0.388 2.560 40.662 -99.200 -91.000 PHE 408 1.000 0.820 -0.820 46.373 -99.200 -91.000 TYR 417 0.840 6.098 -0.242 57.217 -99.200 -91.000 HIS 421 0.900 -1.088 -2.489 69.811 -99.200 -91.000 TYR 436 0.840 2.294 5.583 44.065 -99.200 -91.000