============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 6 1.000 38.424 33.558 128.701 -99.200 -91.000 PHE 14 1.000 31.991 33.228 148.697 -99.200 -91.000 PHE 34 1.000 17.814 44.400 150.887 -99.200 -91.000 HIS 37 0.900 13.016 54.602 141.279 -99.200 -91.000 TYR 38 0.840 19.144 50.318 142.042 -99.200 -91.000 TYR 41 0.840 23.215 54.787 131.160 -99.200 -91.000 TRP 46 1.040 22.150 56.318 135.797 -99.200 -91.000 TRP6 46 1.020 21.526 54.030 135.866 -99.200 -91.000 TRP 84 1.040 17.992 52.329 114.881 -99.200 -91.000 TRP6 84 1.020 19.304 51.023 113.405 -99.200 -91.000 PHE 87 1.000 24.952 50.634 113.383 -99.200 -91.000 TRP 90 1.040 29.492 50.809 119.530 -99.200 -91.000 TRP6 90 1.020 31.217 51.200 121.116 -99.200 -91.000 TRP 93 1.040 33.887 54.545 118.864 -99.200 -91.000 TRP6 93 1.020 34.623 54.465 121.108 -99.200 -91.000 TYR 122 0.840 20.648 40.096 151.269 -99.200 -91.000 TRP 128 1.040 26.941 33.249 150.984 -99.200 -91.000 TRP6 128 1.020 28.625 33.602 152.604 -99.200 -91.000 PHE 141 1.000 28.682 34.802 128.654 -99.200 -91.000 TYR 144 0.840 35.609 33.453 124.053 -99.200 -91.000 TYR 145 0.840 30.721 37.043 124.030 -99.200 -91.000 TYR 152 0.840 34.188 37.303 114.102 -99.200 -91.000 TYR 154 0.840 39.165 47.630 106.344 -99.200 -91.000 TYR 162 0.840 39.568 38.259 87.844 -99.200 -91.000 PHE 170 1.000 34.504 46.223 104.316 -99.200 -91.000 TYR 171 0.840 33.076 38.860 108.764 -99.200 -91.000 TRP 183 1.040 13.194 34.368 136.348 -99.200 -91.000 TRP6 183 1.020 13.882 32.484 137.610 -99.200 -91.000 PHE 185 1.000 22.826 30.842 135.331 -99.200 -91.000 PHE 190 1.000 20.889 43.143 131.853 -99.200 -91.000 PHE 220 1.000 22.453 48.914 130.892 -99.200 -91.000 PHE 223 1.000 27.102 46.999 130.569 -99.200 -91.000 HIS 224 0.900 27.179 56.995 133.649 -99.200 -91.000 PHE 228 1.000 30.404 49.802 126.965 -99.200 -91.000 PHE 235 1.000 18.285 48.742 133.862 -99.200 -91.000 TYR 246 0.840 6.527 50.042 120.718 -99.200 -91.000 HIS 250 0.900 9.952 50.402 116.309 -99.200 -91.000 PHE 255 1.000 21.193 43.245 117.417 -99.200 -91.000 PHE 258 1.000 13.402 34.907 124.843 -99.200 -91.000 TYR 269 0.840 13.264 31.508 114.653 -99.200 -91.000 TRP 281 1.040 15.766 45.380 109.672 -99.200 -91.000 TRP6 281 1.020 16.344 47.638 110.056 -99.200 -91.000 PHE 282 1.000 14.183 39.228 104.003 -99.200 -91.000 TYR 286 0.840 21.222 35.473 116.090 -99.200 -91.000 PHE 303 1.000 26.772 1.844 140.161 -99.200 -91.000 TYR 315 0.840 17.575 17.853 143.771 -99.200 -91.000 PHE 317 1.000 18.936 30.416 140.960 -99.200 -91.000 TYR 335 0.840 15.359 2.348 139.502 -99.200 -91.000 TYR 375 0.840 5.122 21.409 135.068 -99.200 -91.000 TYR 397 0.840 7.956 33.510 146.966 -99.200 -91.000 PHE 398 1.000 12.847 29.705 152.383 -99.200 -91.000 PHE 404 1.000 6.991 13.598 141.472 -99.200 -91.000 PHE 419 1.000 14.355 27.622 134.762 -99.200 -91.000 PHE 431 1.000 25.070 4.546 126.843 -99.200 -91.000 TYR 443 0.840 12.391 21.887 126.017 -99.200 -91.000 TYR 450 0.840 28.347 11.239 136.496 -99.200 -91.000 HIS 456 0.900 27.630 1.321 127.195 -99.200 -91.000 TRP 459 1.040 25.582 4.442 120.900 -99.200 -91.000 TRP6 459 1.020 24.829 2.451 121.941 -99.200 -91.000 PHE 464 1.000 22.411 12.542 126.214 -99.200 -91.000 HIS 465 0.900 20.767 16.231 117.669 -99.200 -91.000 TYR 470 0.840 28.669 19.747 130.167 -99.200 -91.000 PHE 471 1.000 30.612 11.708 127.010 -99.200 -91.000 PHE 485 1.000 24.421 26.620 127.933 -99.200 -91.000 PHE 488 1.000 22.758 19.988 118.719 -99.200 -91.000 TYR 502 0.840 26.557 35.229 121.558 -99.200 -91.000 PHE 506 1.000 24.528 38.937 118.172 -99.200 -91.000 PHE 516 1.000 43.960 48.566 92.180 -99.200 -91.000