============================================================================= 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 88.760 -17.736 13.215 -99.200 -91.000 TYR 31 0.840 71.197 -18.901 10.676 -99.200 -91.000 TYR 36 0.840 73.946 -21.851 16.413 -99.200 -91.000 TYR 37 0.840 75.747 -19.396 23.882 -99.200 -91.000 PHE 38 1.000 80.347 -18.124 17.452 -99.200 -91.000 TRP 40 1.040 87.871 -14.926 19.734 -99.200 -91.000 TRP6 40 1.020 85.535 -14.665 19.456 -99.200 -91.000 TYR 42 0.840 94.529 -15.441 29.298 -99.200 -91.000 PHE 57 1.000 82.564 -10.581 29.066 -99.200 -91.000 PHE 66 1.000 68.918 -6.630 30.872 -99.200 -91.000 TYR 89 0.840 54.514 8.086 39.148 -99.200 -91.000 TRP 90 1.040 61.887 13.058 44.193 -99.200 -91.000 TRP6 90 1.020 63.925 13.364 43.027 -99.200 -91.000 TRP 98 1.040 62.395 19.383 37.572 -99.200 -91.000 TRP6 98 1.020 63.211 17.468 36.479 -99.200 -91.000 HIS 105 0.900 58.635 15.352 27.915 -99.200 -91.000 TYR 109 0.840 68.310 8.487 26.326 -99.200 -91.000 PHE 131 1.000 71.923 16.666 38.562 -99.200 -91.000 TYR 132 0.840 67.734 14.435 38.733 -99.200 -91.000 TRP 135 1.040 68.643 20.174 34.122 -99.200 -91.000 TRP6 135 1.020 66.441 19.961 33.343 -99.200 -91.000 TRP 139 1.040 67.945 22.696 23.490 -99.200 -91.000 TRP6 139 1.020 69.463 21.015 24.156 -99.200 -91.000 TYR 147 0.840 73.051 7.545 25.862 -99.200 -91.000 PHE 155 1.000 61.057 5.176 32.537 -99.200 -91.000 PHE 167 1.000 66.382 -0.077 38.253 -99.200 -91.000 PHE 176 1.000 68.325 -8.628 36.021 -99.200 -91.000 HIS 183 0.900 74.625 -18.241 36.175 -99.200 -91.000 TRP 185 1.040 73.772 -11.885 39.964 -99.200 -91.000 TRP6 185 1.020 72.305 -12.043 41.804 -99.200 -91.000 TYR 196 0.840 82.292 -7.925 38.207 -99.200 -91.000 TRP 198 1.040 89.717 -8.474 37.969 -99.200 -91.000 TRP6 198 1.020 89.229 -6.693 39.422 -99.200 -91.000 TYR 200 0.840 92.251 -6.622 32.275 -99.200 -91.000 HIS 207 0.900 85.471 -5.853 38.798 -99.200 -91.000 TYR 218 0.840 76.671 4.116 35.378 -99.200 -91.000 TRP 230 1.040 68.086 -8.029 27.190 -99.200 -91.000 TRP6 230 1.020 66.059 -7.642 28.343 -99.200 -91.000 TYR 256 0.840 57.566 5.187 23.322 -99.200 -91.000 TRP 257 1.040 60.680 11.178 21.871 -99.200 -91.000 TRP6 257 1.020 59.490 13.216 21.830 -99.200 -91.000 TYR 263 0.840 61.873 5.464 13.194 -99.200 -91.000 TRP 268 1.040 65.507 -2.943 23.504 -99.200 -91.000 TRP6 268 1.020 67.581 -4.012 23.134 -99.200 -91.000 TRP 273 1.040 66.378 -5.873 7.430 -99.200 -91.000 TRP6 273 1.020 68.700 -5.853 7.786 -99.200 -91.000 TRP 309 1.040 70.759 -2.529 13.657 -99.200 -91.000 TRP6 309 1.020 72.054 -4.257 12.714 -99.200 -91.000 HIS 311 0.900 71.782 0.289 17.101 -99.200 -91.000 PHE 319 1.000 84.038 -5.382 31.987 -99.200 -91.000 TYR 322 0.840 75.897 -2.956 18.393 -99.200 -91.000 PHE 325 1.000 66.355 -7.075 19.405 -99.200 -91.000 TYR 341 0.840 85.433 -3.221 20.976 -99.200 -91.000 TRP 351 1.040 76.671 -3.998 7.526 -99.200 -91.000 TRP6 351 1.020 74.341 -4.092 7.210 -99.200 -91.000