============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.847 6.291 18.484 -99.200 -91.000 TRP6 14 1.020 7.489 8.080 19.246 -99.200 -91.000 PHE 19 1.000 12.725 -5.572 3.328 -99.200 -91.000 TRP 37 1.040 23.237 10.225 14.022 -99.200 -91.000 TRP6 37 1.020 25.067 8.740 13.957 -99.200 -91.000 HIS 43 0.900 19.796 -8.985 19.563 -99.200 -91.000 TYR 47 0.840 24.210 -14.309 18.834 -99.200 -91.000 TRP 49 1.040 22.434 -18.134 16.405 -99.200 -91.000 TRP6 49 1.020 20.490 -16.883 16.880 -99.200 -91.000 PHE 53 1.000 22.548 -9.496 8.455 -99.200 -91.000 HIS 65 0.900 -0.641 0.632 10.419 -99.200 -91.000 TYR 70 0.840 7.274 1.406 -1.947 -99.200 -91.000 TYR 84 0.840 29.553 4.957 13.707 -99.200 -91.000 HIS 86 0.900 29.654 -0.035 24.461 -99.200 -91.000 TYR 89 0.840 26.991 -7.412 20.867 -99.200 -91.000 TRP 91 1.040 30.412 -11.181 20.286 -99.200 -91.000 TRP6 91 1.020 31.351 -13.357 19.991 -99.200 -91.000 PHE 110 1.000 12.381 14.623 11.507 -99.200 -91.000 TYR 113 0.840 1.367 9.286 7.479 -99.200 -91.000 HIS 115 0.900 8.170 14.495 15.392 -99.200 -91.000 TYR 132 0.840 6.574 4.554 37.844 -99.200 -91.000 TRP 139 1.040 5.630 -4.010 11.184 -99.200 -91.000 TRP6 139 1.020 7.185 -2.218 11.295 -99.200 -91.000 TRP 146 1.040 5.228 -19.475 14.021 -99.200 -91.000 TRP6 146 1.020 5.608 -18.222 11.996 -99.200 -91.000 PHE 178 1.000 14.327 -1.520 30.827 -99.200 -91.000 TYR 182 0.840 1.104 -7.089 32.222 -99.200 -91.000 PHE 201 1.000 9.930 -0.581 28.284 -99.200 -91.000 PHE 207 1.000 7.703 14.311 35.807 -99.200 -91.000 TRP 211 1.040 4.768 9.321 23.281 -99.200 -91.000 TRP6 211 1.020 3.973 7.327 24.287 -99.200 -91.000 TYR 212 0.840 11.792 12.056 27.512 -99.200 -91.000 TRP 219 1.040 19.080 -10.822 27.265 -99.200 -91.000 TRP6 219 1.020 18.525 -12.272 29.037 -99.200 -91.000 TYR 229 0.840 9.341 -11.782 34.700 -99.200 -91.000 PHE 231 1.000 16.066 -10.513 31.538 -99.200 -91.000 TYR 232 0.840 12.252 -4.866 27.026 -99.200 -91.000 HIS 234 0.900 19.248 1.727 32.293 -99.200 -91.000 PHE 236 1.000 20.821 8.451 32.191 -99.200 -91.000 TRP 241 1.040 29.259 3.874 22.323 -99.200 -91.000 TRP6 241 1.020 27.440 3.102 20.930 -99.200 -91.000 PHE 249 1.000 32.881 8.317 14.757 -99.200 -91.000