============================================================================= 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 30.272 -16.109 13.046 -99.200 -91.000 TYR 31 0.840 12.693 -17.198 10.653 -99.200 -91.000 TYR 36 0.840 15.421 -20.119 16.432 -99.200 -91.000 TYR 37 0.840 17.322 -17.717 23.911 -99.200 -91.000 PHE 38 1.000 21.792 -16.368 17.376 -99.200 -91.000 TRP 40 1.040 29.413 -13.376 19.619 -99.200 -91.000 TRP6 40 1.020 27.079 -13.059 19.353 -99.200 -91.000 TYR 42 0.840 36.123 -14.093 29.295 -99.200 -91.000 PHE 57 1.000 24.307 -9.062 28.989 -99.200 -91.000 PHE 66 1.000 10.658 -4.961 30.946 -99.200 -91.000 TYR 89 0.840 -3.912 9.877 38.655 -99.200 -91.000 TRP 90 1.040 3.337 14.562 44.269 -99.200 -91.000 TRP6 90 1.020 5.392 14.912 43.140 -99.200 -91.000 TRP 98 1.040 4.076 20.981 37.949 -99.200 -91.000 TRP6 98 1.020 4.928 19.086 36.803 -99.200 -91.000 HIS 105 0.900 0.311 17.048 28.193 -99.200 -91.000 TYR 109 0.840 10.016 10.169 26.540 -99.200 -91.000 PHE 131 1.000 13.775 18.707 38.805 -99.200 -91.000 TYR 132 0.840 9.303 15.957 38.999 -99.200 -91.000 TRP 135 1.040 10.316 21.697 34.462 -99.200 -91.000 TRP6 135 1.020 8.116 21.539 33.605 -99.200 -91.000 TRP 139 1.040 9.579 24.420 23.874 -99.200 -91.000 TRP6 139 1.020 11.122 22.735 24.498 -99.200 -91.000 TYR 147 0.840 14.925 9.201 25.966 -99.200 -91.000 PHE 155 1.000 2.692 6.842 32.683 -99.200 -91.000 PHE 167 1.000 7.999 1.613 38.503 -99.200 -91.000 PHE 176 1.000 10.037 -6.934 36.153 -99.200 -91.000 HIS 183 0.900 16.441 -16.626 36.378 -99.200 -91.000 TRP 185 1.040 15.701 -10.332 39.929 -99.200 -91.000 TRP6 185 1.020 14.253 -10.623 41.778 -99.200 -91.000 TYR 196 0.840 24.030 -6.428 38.099 -99.200 -91.000 TRP 198 1.040 31.438 -7.046 37.918 -99.200 -91.000 TRP6 198 1.020 31.016 -5.251 39.397 -99.200 -91.000 TYR 200 0.840 33.936 -5.156 32.190 -99.200 -91.000 HIS 207 0.900 27.234 -4.312 38.704 -99.200 -91.000 TYR 218 0.840 18.499 5.668 35.440 -99.200 -91.000 TRP 230 1.040 9.823 -6.300 27.288 -99.200 -91.000 TRP6 230 1.020 7.823 -5.957 28.516 -99.200 -91.000 TYR 256 0.840 -0.588 6.946 23.519 -99.200 -91.000 TRP 257 1.040 2.352 12.925 22.072 -99.200 -91.000 TRP6 257 1.020 1.206 14.997 22.035 -99.200 -91.000 TYR 263 0.840 3.606 7.417 13.474 -99.200 -91.000 TRP 268 1.040 7.257 -1.200 23.670 -99.200 -91.000 TRP6 268 1.020 9.355 -2.234 23.279 -99.200 -91.000 TRP 273 1.040 7.803 -3.997 7.520 -99.200 -91.000 TRP6 273 1.020 10.136 -4.102 7.789 -99.200 -91.000 TRP 309 1.040 12.392 -0.762 13.759 -99.200 -91.000 TRP6 309 1.020 13.678 -2.493 12.814 -99.200 -91.000 HIS 311 0.900 13.482 2.042 17.185 -99.200 -91.000 PHE 319 1.000 25.774 -3.790 31.994 -99.200 -91.000 TYR 322 0.840 17.585 -1.346 18.445 -99.200 -91.000 PHE 325 1.000 8.027 -5.292 19.502 -99.200 -91.000 TYR 341 0.840 27.005 -1.411 20.942 -99.200 -91.000 TRP 351 1.040 17.809 -2.453 7.529 -99.200 -91.000 TRP6 351 1.020 15.466 -2.307 7.432 -99.200 -91.000