============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 4 1.000 39.417 35.238 27.714 -99.200 -91.000 TYR 19 0.840 34.276 47.078 12.451 -99.200 -91.000 TYR 20 0.840 42.514 46.678 9.690 -99.200 -91.000 PHE 43 1.000 44.558 32.776 7.552 -99.200 -91.000 HIS 50 0.900 44.410 44.646 -5.782 -99.200 -91.000 PHE 52 1.000 41.879 49.215 -5.169 -99.200 -91.000 HIS 54 0.900 48.687 50.537 1.986 -99.200 -91.000 TYR 56 0.840 53.321 40.992 -2.213 -99.200 -91.000 TYR 57 0.840 51.838 33.332 3.112 -99.200 -91.000 TYR 65 0.840 53.017 27.603 1.256 -99.200 -91.000 TYR 73 0.840 36.394 31.664 -8.691 -99.200 -91.000 TYR 76 0.840 34.480 35.807 -0.230 -99.200 -91.000 TRP 81 1.040 39.444 35.049 -2.234 -99.200 -91.000 TRP6 81 1.020 40.335 32.866 -1.976 -99.200 -91.000 HIS 94 0.900 48.334 43.006 19.532 -99.200 -91.000 PHE 113 1.000 38.458 39.252 -0.881 -99.200 -91.000 PHE 114 1.000 42.869 41.438 -1.758 -99.200 -91.000 TRP 120 1.040 39.912 44.809 4.627 -99.200 -91.000 TRP6 120 1.020 39.516 43.286 2.854 -99.200 -91.000 TYR 128 0.840 29.875 26.164 12.717 -99.200 -91.000 PHE 141 1.000 42.988 30.534 12.833 -99.200 -91.000 PHE 142 1.000 37.377 29.644 16.995 -99.200 -91.000 HIS 150 0.900 44.600 21.149 25.891 -99.200 -91.000 PHE 155 1.000 34.014 33.515 16.415 -99.200 -91.000 HIS 175 0.900 31.514 39.188 32.206 -99.200 -91.000 TYR 178 0.840 28.383 41.441 28.497 -99.200 -91.000 TRP 183 1.040 18.332 38.757 26.906 -99.200 -91.000 TRP6 183 1.020 16.509 37.487 27.713 -99.200 -91.000 TYR 184 0.840 24.361 33.078 25.210 -99.200 -91.000 TRP 191 1.040 24.048 26.414 6.983 -99.200 -91.000 TRP6 191 1.020 23.375 26.909 4.770 -99.200 -91.000 TYR 192 0.840 26.376 30.862 4.498 -99.200 -91.000 TYR 193 0.840 29.380 31.198 13.156 -99.200 -91.000 TYR 214 0.840 9.715 38.923 9.531 -99.200 -91.000 TYR 216 0.840 11.909 32.100 0.066 -99.200 -91.000 PHE 235 1.000 14.905 47.419 0.559 -99.200 -91.000 PHE 251 1.000 15.397 61.982 4.572 -99.200 -91.000 PHE 255 1.000 18.531 58.355 2.856 -99.200 -91.000 TRP 256 1.040 13.602 56.271 1.603 -99.200 -91.000 TRP6 256 1.020 14.037 56.200 3.928 -99.200 -91.000 TRP 264 1.040 20.746 66.208 7.809 -99.200 -91.000 TRP6 264 1.020 20.584 63.982 7.022 -99.200 -91.000 TRP 271 1.040 22.147 61.296 14.990 -99.200 -91.000 TRP6 271 1.020 22.941 59.850 13.295 -99.200 -91.000 PHE 274 1.000 16.596 59.520 9.316 -99.200 -91.000 TYR 280 0.840 10.217 41.144 19.118 -99.200 -91.000 PHE 290 1.000 17.642 37.056 21.913 -99.200 -91.000 TYR 299 0.840 18.003 52.911 10.541 -99.200 -91.000 TYR 310 0.840 25.355 60.529 8.582 -99.200 -91.000 PHE 312 1.000 17.427 52.669 4.553 -99.200 -91.000 PHE 331 1.000 22.373 44.677 19.069 -99.200 -91.000 TYR 332 0.840 31.204 40.750 23.938 -99.200 -91.000 PHE 335 1.000 29.612 35.298 15.874 -99.200 -91.000 PHE 344 1.000 22.706 38.638 18.389 -99.200 -91.000 HIS 350 0.900 24.934 51.296 21.893 -99.200 -91.000 HIS 352 0.900 24.772 55.416 23.465 -99.200 -91.000 PHE 355 1.000 17.275 63.748 23.189 -99.200 -91.000 PHE 364 1.000 9.929 40.975 24.240 -99.200 -91.000 TYR 374 0.840 13.937 27.166 1.901 -99.200 -91.000