============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 11 0.900 3.437 -2.847 92.411 -99.200 -91.000 HIS 14 0.900 -6.258 6.491 87.931 -99.200 -91.000 HIS 16 0.900 -2.001 -4.496 86.984 -99.200 -91.000 PHE 20 1.000 -5.747 -2.038 78.360 -99.200 -91.000 PHE 41 1.000 -6.253 -5.964 82.524 -99.200 -91.000 HIS 55 0.900 -13.022 -24.682 80.680 -99.200 -91.000 PHE 59 1.000 -18.243 -17.744 81.399 -99.200 -91.000 PHE 60 1.000 -15.569 -12.537 76.268 -99.200 -91.000 PHE 61 1.000 -15.079 -15.023 71.977 -99.200 -91.000 TYR 74 0.840 -16.149 -2.475 74.264 -99.200 -91.000 PHE 76 1.000 -13.572 2.485 74.130 -99.200 -91.000 PHE 81 1.000 -21.062 4.850 68.973 -99.200 -91.000 HIS 91 0.900 -23.047 -2.790 49.954 -99.200 -91.000 TRP 106 1.040 -1.974 6.468 44.311 -99.200 -91.000 TRP6 106 1.020 -1.572 4.249 45.016 -99.200 -91.000 PHE 117 1.000 -4.534 4.283 49.316 -99.200 -91.000 PHE 118 1.000 -4.724 0.409 52.452 -99.200 -91.000 TYR 124 0.840 -13.039 9.383 50.462 -99.200 -91.000 PHE 135 1.000 -22.969 11.338 54.235 -99.200 -91.000 PHE 143 1.000 -17.498 11.878 57.573 -99.200 -91.000 TYR 147 0.840 -15.480 7.900 61.761 -99.200 -91.000 HIS 148 0.900 -6.127 9.700 62.797 -99.200 -91.000 TYR 159 0.840 -12.484 0.917 79.971 -99.200 -91.000 TYR 163 0.840 -18.256 13.078 79.085 -99.200 -91.000 PHE 169 1.000 -10.588 11.285 77.158 -99.200 -91.000 PHE 214 1.000 -34.678 11.258 62.987 -99.200 -91.000 PHE 223 1.000 -25.737 9.651 58.009 -99.200 -91.000 PHE 228 1.000 -15.406 4.295 66.528 -99.200 -91.000 HIS 231 0.900 -12.104 4.768 59.409 -99.200 -91.000 HIS 232 0.900 -11.428 0.072 65.194 -99.200 -91.000 TRP 240 1.040 -0.907 -3.966 60.793 -99.200 -91.000 TRP6 240 1.020 1.418 -4.271 61.101 -99.200 -91.000 HIS 248 0.900 6.095 -12.579 55.684 -99.200 -91.000 TYR 252 0.840 3.526 -7.886 46.122 -99.200 -91.000 TYR 263 0.840 -10.005 -10.052 39.153 -99.200 -91.000 PHE 271 1.000 -17.772 -14.601 38.770 -99.200 -91.000 HIS 272 0.900 -12.875 -13.582 39.300 -99.200 -91.000 HIS 291 0.900 0.333 -7.786 62.315 -99.200 -91.000 PHE 305 1.000 -22.406 -15.906 84.652 -99.200 -91.000 HIS 310 0.900 -9.281 -19.170 88.962 -99.200 -91.000 HIS 313 0.900 -18.066 -12.889 93.016 -99.200 -91.000 PHE 332 1.000 -4.169 -20.368 66.717 -99.200 -91.000 HIS 336 0.900 5.106 -15.072 69.165 -99.200 -91.000 PHE 338 1.000 2.208 -13.688 56.363 -99.200 -91.000 TYR 343 0.840 -4.908 -19.183 58.828 -99.200 -91.000 TRP 355 1.040 -14.914 -22.951 71.462 -99.200 -91.000 TRP6 355 1.020 -16.811 -21.600 71.046 -99.200 -91.000 TRP 357 1.040 -7.613 -17.804 63.232 -99.200 -91.000 TRP6 357 1.020 -9.204 -16.769 61.820 -99.200 -91.000 PHE 360 1.000 -13.162 -11.305 60.597 -99.200 -91.000 HIS 365 0.900 -22.142 -11.584 72.157 -99.200 -91.000 PHE 372 1.000 -18.690 -4.001 53.713 -99.200 -91.000 PHE 381 1.000 -4.664 -5.312 49.894 -99.200 -91.000 TYR 388 0.840 -0.438 2.378 40.502 -99.200 -91.000 PHE 390 1.000 0.887 -0.989 46.138 -99.200 -91.000 TYR 399 0.840 6.439 -0.780 56.896 -99.200 -91.000 HIS 403 0.900 -0.353 -2.235 69.965 -99.200 -91.000 TYR 418 0.840 2.253 5.322 43.801 -99.200 -91.000