============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TRP 15 1.040 11.808 42.158 84.102 -99.200 -91.000 TRP6 15 1.020 13.716 40.975 83.329 -99.200 -91.000 HIS 22 0.900 13.999 52.629 87.141 -99.200 -91.000 TYR 28 0.840 16.204 58.591 77.436 -99.200 -91.000 TYR 37 0.840 -4.469 40.217 77.382 -99.200 -91.000 PHE 67 1.000 15.185 43.227 100.640 -99.200 -91.000 TRP 70 1.040 10.883 44.923 95.801 -99.200 -91.000 TRP6 70 1.020 8.676 45.381 95.040 -99.200 -91.000 PHE 76 1.000 8.687 50.269 92.327 -99.200 -91.000 TYR 79 0.840 2.199 49.328 96.116 -99.200 -91.000 TYR 80 0.840 9.828 43.714 101.487 -99.200 -91.000 HIS 81 0.900 2.639 43.669 102.857 -99.200 -91.000 PHE 108 1.000 10.149 22.834 108.972 -99.200 -91.000 PHE 121 1.000 5.156 22.380 108.478 -99.200 -91.000 TRP 124 1.040 7.907 19.829 104.449 -99.200 -91.000 TRP6 124 1.020 7.209 22.013 103.868 -99.200 -91.000 TYR 127 0.840 19.569 26.134 105.628 -99.200 -91.000 PHE 128 1.000 11.398 32.363 110.072 -99.200 -91.000 TRP 135 1.040 3.726 39.122 101.782 -99.200 -91.000 TRP6 135 1.020 2.035 40.503 100.866 -99.200 -91.000 HIS 137 0.900 -1.446 43.301 95.759 -99.200 -91.000 PHE 155 1.000 2.426 52.668 80.482 -99.200 -91.000 PHE 169 1.000 12.406 42.019 62.095 -99.200 -91.000 TRP 185 1.040 2.211 51.794 67.080 -99.200 -91.000 TRP6 185 1.020 1.412 53.615 68.368 -99.200 -91.000 PHE 191 1.000 14.271 50.539 75.472 -99.200 -91.000 PHE 201 1.000 5.972 40.119 69.228 -99.200 -91.000 PHE 204 1.000 14.199 36.688 71.711 -99.200 -91.000 TRP 213 1.040 6.714 26.885 87.038 -99.200 -91.000 TRP6 213 1.020 8.010 28.024 85.401 -99.200 -91.000 HIS 217 0.900 -5.769 34.227 94.338 -99.200 -91.000 TYR 228 0.840 -5.132 30.919 108.449 -99.200 -91.000 PHE 235 1.000 10.636 27.968 97.453 -99.200 -91.000 PHE 241 1.000 5.694 30.009 95.517 -99.200 -91.000 PHE 242 1.000 1.522 28.023 103.107 -99.200 -91.000 PHE 243 1.000 3.394 34.411 98.363 -99.200 -91.000 HIS 258 0.900 4.655 23.011 87.903 -99.200 -91.000 TYR 261 0.840 1.936 21.743 83.729 -99.200 -91.000 PHE 274 1.000 -2.482 27.197 76.878 -99.200 -91.000 PHE 302 1.000 -7.527 24.645 94.523 -99.200 -91.000 PHE 304 1.000 -7.461 33.851 89.472 -99.200 -91.000 TRP 309 1.040 1.750 30.741 79.696 -99.200 -91.000 TRP6 309 1.020 2.867 28.983 78.570 -99.200 -91.000 PHE 318 1.000 17.317 38.401 85.519 -99.200 -91.000 HIS 323 0.900 19.529 41.046 67.147 -99.200 -91.000 TYR 326 0.840 17.653 42.154 63.521 -99.200 -91.000 HIS 327 0.900 21.263 51.166 64.815 -99.200 -91.000 PHE 340 1.000 6.379 41.719 90.786 -99.200 -91.000 TYR 342 0.840 16.159 40.535 89.991 -99.200 -91.000 HIS 362 0.900 27.611 42.922 77.435 -99.200 -91.000 TRP 367 1.040 22.134 37.557 70.600 -99.200 -91.000 TRP6 367 1.020 19.757 37.646 70.451 -99.200 -91.000 TRP 377 1.040 14.364 22.900 72.800 -99.200 -91.000 TRP6 377 1.020 14.026 25.234 73.007 -99.200 -91.000 PHE 384 1.000