============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TRP 10 1.040 53.045 22.660 -31.969 -99.200 -91.000 TRP6 10 1.020 53.267 20.585 -30.875 -99.200 -91.000 TYR 17 0.840 44.469 28.136 -37.538 -99.200 -91.000 PHE 27 1.000 60.239 37.585 -33.494 -99.200 -91.000 HIS 39 0.900 45.493 24.413 -37.362 -99.200 -91.000 PHE 47 1.000 54.885 21.612 -24.400 -99.200 -91.000 PHE 61 1.000 50.240 31.461 -27.926 -99.200 -91.000 TRP 62 1.040 45.389 23.707 -23.075 -99.200 -91.000 TRP6 62 1.020 44.528 22.962 -25.145 -99.200 -91.000 HIS 64 0.900 44.531 28.636 -15.479 -99.200 -91.000 PHE 67 1.000 50.914 26.659 -20.442 -99.200 -91.000 TYR 70 0.840 51.718 21.092 -20.623 -99.200 -91.000 PHE 85 1.000 55.157 42.282 -21.103 -99.200 -91.000 TYR 90 0.840 43.215 43.919 -16.692 -99.200 -91.000 PHE 92 1.000 42.380 35.804 -11.865 -99.200 -91.000 TRP 94 1.040 51.769 39.530 -15.020 -99.200 -91.000 TRP6 94 1.020 53.213 38.539 -16.598 -99.200 -91.000 TYR 99 0.840 53.734 23.853 -10.381 -99.200 -91.000 TYR 106 0.840 56.049 36.329 -21.559 -99.200 -91.000 TYR 117 0.840 19.785 34.486 -26.663 -99.200 -91.000 TRP 129 1.040 21.680 23.710 -17.452 -99.200 -91.000 TRP6 129 1.020 22.517 22.640 -19.386 -99.200 -91.000 PHE 149 1.000 26.254 20.925 -24.006 -99.200 -91.000 TYR 155 0.840 36.357 24.853 -21.232 -99.200 -91.000 PHE 156 1.000 33.028 22.930 -25.239 -99.200 -91.000 TRP 158 1.040 33.441 21.452 -13.819 -99.200 -91.000 TRP6 158 1.020 33.611 19.408 -12.664 -99.200 -91.000 TYR 167 0.840 34.311 18.714 -4.020 -99.200 -91.000 PHE 169 1.000 42.040 17.238 -8.105 -99.200 -91.000 TYR 171 0.840 41.373 26.914 -2.892 -99.200 -91.000 TYR 176 0.840 43.399 23.718 -5.793 -99.200 -91.000 PHE 194 1.000 18.128 18.699 -16.927 -99.200 -91.000 HIS 203 0.900 13.991 16.450 -24.914 -99.200 -91.000 TYR 210 0.840 34.217 23.874 -31.334 -99.200 -91.000 PHE 217 1.000 23.857 29.515 -32.390 -99.200 -91.000 TRP 230 1.040 36.541 28.915 -28.814 -99.200 -91.000 TRP6 230 1.020 36.862 28.941 -26.464 -99.200 -91.000 TRP 232 1.040 31.399 35.031 -28.868 -99.200 -91.000 TRP6 232 1.020 32.541 36.545 -27.459 -99.200 -91.000 TYR 242 0.840 26.543 36.096 -32.162 -99.200 -91.000 PHE 250 1.000 20.697 20.192 -12.340 -99.200 -91.000 PHE 258 1.000 37.131 23.535 -13.083 -99.200 -91.000 PHE 279 1.000 55.342 35.894 -31.745 -99.200 -91.000 TYR 283 0.840 58.069 42.151 -32.661 -99.200 -91.000 TYR 307 0.840 42.760 44.737 -28.390 -99.200 -91.000 PHE 339 1.000 38.332 17.639 -12.912 -99.200 -91.000 TRP 340 1.040 40.851 19.041 -17.266 -99.200 -91.000 TRP6 340 1.020 38.644 19.868 -17.223 -99.200 -91.000 TYR 341 0.840 41.714 8.378 -18.172 -99.200 -91.000 PHE 385 1.000 44.944 31.785 1.123 -99.200 -91.000 HIS 388 0.900 40.950 29.479 -5.758 -99.200 -91.000 PHE 393 1.000 37.767 36.918 -12.974 -99.200 -91.000