============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 7 1.000 -50.538 98.815 -25.140 -99.200 -91.000 PHE 16 1.000 -29.660 98.316 -15.339 -99.200 -91.000 HIS 20 0.900 -30.524 83.225 5.766 -99.200 -91.000 TRP 21 1.040 -33.697 79.515 7.175 -99.200 -91.000 TRP6 21 1.020 -34.709 78.089 5.581 -99.200 -91.000 TRP 34 1.040 -19.925 62.928 -4.172 -99.200 -91.000 TRP6 34 1.020 -21.495 64.033 -5.551 -99.200 -91.000 TYR 37 0.840 -18.267 69.734 -3.045 -99.200 -91.000 TRP 44 1.040 -24.425 72.078 -2.989 -99.200 -91.000 TRP6 44 1.020 -26.188 72.741 -4.417 -99.200 -91.000 PHE 52 1.000 -31.645 87.980 -15.571 -99.200 -91.000 PHE 65 1.000 -39.448 97.694 -12.047 -99.200 -91.000 PHE 69 1.000 -32.171 83.553 -7.097 -99.200 -91.000 TRP 76 1.040 -22.491 87.089 -23.647 -99.200 -91.000 TRP6 76 1.020 -23.093 85.539 -25.333 -99.200 -91.000 HIS 79 0.900 -28.747 93.769 -23.313 -99.200 -91.000 HIS 81 0.900 -30.854 83.246 -29.287 -99.200 -91.000 PHE 82 1.000 -33.420 84.605 -25.340 -99.200 -91.000 PHE 85 1.000 -35.906 86.275 -31.481 -99.200 -91.000 PHE 98 1.000 -42.608 80.734 -23.951 -99.200 -91.000 TYR 101 0.840 -39.441 76.317 -25.456 -99.200 -91.000 PHE 105 1.000 -28.743 77.282 -30.872 -99.200 -91.000 TYR 106 0.840 -29.122 79.044 -26.396 -99.200 -91.000 TRP 124 1.040 -47.537 88.989 -19.071 -99.200 -91.000 TRP6 124 1.020 -49.849 89.215 -19.538 -99.200 -91.000 TYR 136 0.840 -55.633 91.547 -9.179 -99.200 -91.000 PHE 149 1.000 -48.862 84.375 0.521 -99.200 -91.000 TYR 150 0.840 -46.627 76.162 1.324 -99.200 -91.000 PHE 163 1.000 -46.678 83.053 6.788 -99.200 -91.000 TRP 164 1.040 -52.299 77.466 4.113 -99.200 -91.000 TRP6 164 1.020 -52.023 75.147 3.725 -99.200 -91.000 PHE 172 1.000 -29.088 64.535 9.192 -99.200 -91.000 HIS 178 0.900 -31.027 51.150 6.537 -99.200 -91.000 PHE 187 1.000 -35.663 68.612 10.679 -99.200 -91.000 HIS 191 0.900 -39.306 71.041 12.764 -99.200 -91.000 PHE 199 1.000 -48.896 75.122 11.372 -99.200 -91.000 TYR 205 0.840 -32.414 72.235 -3.623 -99.200 -91.000 TYR 211 0.840 -33.596 58.075 2.499 -99.200 -91.000 TRP 226 1.040 -46.536 69.536 -0.108 -99.200 -91.000 TRP6 226 1.020 -48.137 71.275 0.040 -99.200 -91.000 TRP 227 1.040 -43.936 62.842 2.601 -99.200 -91.000 TRP6 227 1.020 -42.062 62.610 4.011 -99.200 -91.000 PHE 239 1.000 -42.427 62.338 -7.845 -99.200 -91.000 HIS 246 0.900 -45.487 54.917 1.327 -99.200 -91.000 PHE 251 1.000 -45.412 60.690 -2.153 -99.200 -91.000 HIS 256 0.900 -35.165 73.028 -8.778 -99.200 -91.000 TYR 258 0.840 -36.137 74.386 -16.288 -99.200 -91.000 TYR 261 0.840 -43.841 71.880 -25.993 -99.200 -91.000 PHE 263 1.000 -44.098 72.645 -14.944 -99.200 -91.000 TRP 280 1.040 -35.263 77.734 -12.650 -99.200 -91.000 TRP6 280 1.020 -33.624 79.388 -12.251 -99.200 -91.000 TYR 297 0.840 -55.964 65.657 -17.957 -99.200 -91.000 HIS 304 0.900 -39.271 79.081 -5.536 -99.200 -91.000 TYR 309 0.840 -41.844 89.344 -10.674 -99.200 -91.000 TYR 311 0.840 -46.935 87.347 -3.460 -99.200 -91.000 HIS 312 0.900 -50.191 91.336 -9.523 -99.200 -91.000 PHE 313 1.000 -50.494 80.949 -12.133 -99.200 -91.000 PHE 322 1.000 -52.403 75.266 -0.923 -99.200 -91.000 TYR 325 0.840 -43.001 85.819 2.037 -99.200 -91.000 PHE 339 1.000 -38.312 89.362 -6.033 -99.200 -91.000 PHE 343 1.000 -38.162 94.806 -6.925 -99.200 -91.000 TYR 353 0.840 -54.873 88.311 5.950 -99.200 -91.000 PHE 364 1.000 -45.903 90.814 -12.666 -99.200 -91.000 TYR 381 0.840 -19.303 92.910 -16.281 -99.200 -91.000 PHE 383 1.000 -23.272 92.109 -23.811 -99.200 -91.000