============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 5 1.040 62.668 47.601 14.168 -99.200 -91.000 TRP6 5 1.020 64.594 46.284 14.532 -99.200 -91.000 TYR 19 0.840 54.031 29.308 8.167 -99.200 -91.000 HIS 20 0.900 60.568 25.397 6.657 -99.200 -91.000 PHE 29 1.000 60.523 41.781 7.933 -99.200 -91.000 TRP 46 1.040 48.606 29.277 6.287 -99.200 -91.000 TRP6 46 1.020 46.671 30.329 5.396 -99.200 -91.000 HIS 51 0.900 43.946 27.548 2.996 -99.200 -91.000 PHE 58 1.000 36.305 37.985 -13.578 -99.200 -91.000 PHE 64 1.000 44.445 35.420 -2.200 -99.200 -91.000 PHE 71 1.000 44.378 42.878 3.754 -99.200 -91.000 TYR 75 0.840 45.275 41.233 11.293 -99.200 -91.000 PHE 79 1.000 52.736 39.980 18.798 -99.200 -91.000 TYR 84 0.840 57.973 51.601 10.443 -99.200 -91.000 HIS 86 0.900 52.792 61.231 7.227 -99.200 -91.000 HIS 87 0.900 56.062 55.084 5.102 -99.200 -91.000 TRP 95 1.040 32.887 54.307 -1.382 -99.200 -91.000 TRP6 95 1.020 32.569 53.405 -3.555 -99.200 -91.000 HIS 97 0.900 28.698 49.566 -1.456 -99.200 -91.000 HIS 110 0.900 33.868 63.500 -6.097 -99.200 -91.000 HIS 119 0.900 31.562 54.700 -23.091 -99.200 -91.000 HIS 134 0.900 32.344 66.792 -8.329 -99.200 -91.000 PHE 143 1.000 37.574 59.115 -16.097 -99.200 -91.000 PHE 151 1.000 32.027 56.067 -18.162 -99.200 -91.000 PHE 152 1.000 30.922 52.000 -11.800 -99.200 -91.000 PHE 162 1.000 29.911 49.216 -6.264 -99.200 -91.000 PHE 168 1.000 32.575 36.444 -0.981 -99.200 -91.000 TYR 173 0.840 32.783 38.782 8.056 -99.200 -91.000 HIS 180 0.900 26.128 42.210 6.851 -99.200 -91.000 HIS 182 0.900 31.540 50.620 6.239 -99.200 -91.000 HIS 197 0.900 53.022 58.251 -5.835 -99.200 -91.000 PHE 200 1.000 50.260 57.620 -10.099 -99.200 -91.000 PHE 211 1.000 37.149 42.652 -15.372 -99.200 -91.000 HIS 234 0.900 20.776 34.177 -5.107 -99.200 -91.000 HIS 235 0.900 22.706 39.888 -6.220 -99.200 -91.000 PHE 241 1.000 38.563 46.844 -5.557 -99.200 -91.000 TYR 248 0.840 41.662 49.537 -20.107 -99.200 -91.000 PHE 254 1.000 46.250 46.017 -6.673 -99.200 -91.000 TRP 272 1.040 47.701 36.996 14.431 -99.200 -91.000 TRP6 272 1.020 49.733 38.147 14.056 -99.200 -91.000 PHE 276 1.000 51.929 35.722 16.106 -99.200 -91.000 PHE 287 1.000 37.589 57.180 -0.419 -99.200 -91.000 TRP 289 1.040 36.531 63.790 -2.738 -99.200 -91.000 TRP6 289 1.020 37.524 62.326 -4.335 -99.200 -91.000 HIS 293 0.900 41.976 59.324 -1.702 -99.200 -91.000 TYR 295 0.840 41.575 61.467 -14.313 -99.200 -91.000 HIS 304 0.900 38.401 68.683 -37.056 -99.200 -91.000 PHE 312 1.000 42.782 83.685 -38.806 -99.200 -91.000 PHE 314 1.000 44.530 88.392 -43.017 -99.200 -91.000