============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 29.862 -18.316 13.115 -99.200 -91.000 TYR 31 0.840 12.220 -19.650 10.684 -99.200 -91.000 TYR 36 0.840 14.972 -22.497 16.280 -99.200 -91.000 TYR 37 0.840 16.921 -20.050 23.851 -99.200 -91.000 PHE 38 1.000 22.087 -19.084 17.250 -99.200 -91.000 TRP 40 1.040 28.866 -16.254 19.768 -99.200 -91.000 TRP6 40 1.020 26.662 -15.519 19.319 -99.200 -91.000 TYR 42 0.840 35.733 -16.028 29.236 -99.200 -91.000 PHE 57 1.000 23.824 -11.248 29.090 -99.200 -91.000 PHE 66 1.000 10.096 -7.577 30.922 -99.200 -91.000 TYR 89 0.840 -4.613 6.733 39.439 -99.200 -91.000 TRP 90 1.040 2.675 12.116 44.277 -99.200 -91.000 TRP6 90 1.020 4.730 12.402 43.147 -99.200 -91.000 TRP 98 1.040 3.277 18.311 37.832 -99.200 -91.000 TRP6 98 1.020 4.052 16.385 36.701 -99.200 -91.000 HIS 105 0.900 -0.465 14.346 28.066 -99.200 -91.000 TYR 109 0.840 9.277 7.582 26.497 -99.200 -91.000 PHE 131 1.000 12.748 15.416 38.822 -99.200 -91.000 TYR 132 0.840 8.573 13.333 38.880 -99.200 -91.000 TRP 135 1.040 9.520 19.091 34.324 -99.200 -91.000 TRP6 135 1.020 7.288 18.898 33.563 -99.200 -91.000 TRP 139 1.040 8.852 21.886 23.714 -99.200 -91.000 TRP6 139 1.020 10.353 20.209 24.450 -99.200 -91.000 TYR 147 0.840 14.023 6.647 25.953 -99.200 -91.000 PHE 155 1.000 1.960 4.116 32.613 -99.200 -91.000 PHE 167 1.000 7.335 -1.150 38.387 -99.200 -91.000 PHE 176 1.000 9.391 -9.733 36.013 -99.200 -91.000 HIS 183 0.900 15.920 -19.290 36.174 -99.200 -91.000 TRP 185 1.040 15.254 -13.034 39.762 -99.200 -91.000 TRP6 185 1.020 13.848 -13.461 41.619 -99.200 -91.000 TYR 196 0.840 23.489 -8.597 38.159 -99.200 -91.000 TRP 198 1.040 30.851 -8.924 37.943 -99.200 -91.000 TRP6 198 1.020 30.448 -7.148 39.449 -99.200 -91.000 TYR 200 0.840 33.406 -6.881 32.117 -99.200 -91.000 HIS 207 0.900 26.657 -6.593 38.694 -99.200 -91.000 TYR 218 0.840 17.607 3.138 35.700 -99.200 -91.000 TRP 230 1.040 9.257 -8.966 27.190 -99.200 -91.000 TRP6 230 1.020 7.228 -8.642 28.367 -99.200 -91.000 TYR 256 0.840 -1.482 4.118 23.479 -99.200 -91.000 TRP 257 1.040 1.458 10.186 22.018 -99.200 -91.000 TRP6 257 1.020 0.333 12.258 21.992 -99.200 -91.000 TYR 263 0.840 2.669 4.674 13.310 -99.200 -91.000 TRP 268 1.040 6.518 -3.883 23.608 -99.200 -91.000 TRP6 268 1.020 8.586 -4.968 23.234 -99.200 -91.000 TRP 273 1.040 7.521 -6.746 7.515 -99.200 -91.000 TRP6 273 1.020 9.858 -6.758 7.870 -99.200 -91.000 TRP 309 1.040 11.699 -3.319 13.682 -99.200 -91.000 TRP6 309 1.020 13.016 -5.060 12.776 -99.200 -91.000 HIS 311 0.900 12.676 -0.438 17.136 -99.200 -91.000 PHE 319 1.000 25.130 -6.068 32.006 -99.200 -91.000 TYR 322 0.840 16.908 -3.718 18.403 -99.200 -91.000 PHE 325 1.000 7.398 -7.950 19.435 -99.200 -91.000 TYR 341 0.840 26.362 -3.822 20.920 -99.200 -91.000 TRP 351 1.040 15.749 -4.743 8.471 -99.200 -91.000 TRP6 351 1.020 16.592 -4.916 6.273 -99.200 -91.000