============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 1 0.900 60.459 76.915 26.064 -99.200 -91.000 PHE 15 1.000 46.695 67.043 19.763 -99.200 -91.000 PHE 38 1.000 56.789 41.667 19.213 -99.200 -91.000 HIS 42 0.900 56.793 34.560 7.951 -99.200 -91.000 PHE 62 1.000 36.444 49.211 8.300 -99.200 -91.000 TYR 68 0.840 32.351 43.678 -0.426 -99.200 -91.000 PHE 80 1.000 45.581 48.159 -2.843 -99.200 -91.000 TRP 81 1.040 48.237 54.903 -3.834 -99.200 -91.000 TRP6 81 1.020 49.682 56.610 -3.090 -99.200 -91.000 PHE 86 1.000 52.973 46.217 -12.396 -99.200 -91.000 HIS 95 0.900 43.467 57.200 -10.698 -99.200 -91.000 TYR 98 0.840 39.984 64.580 -3.479 -99.200 -91.000 PHE 101 1.000 49.297 61.538 1.286 -99.200 -91.000 PHE 105 1.000 45.510 54.405 -7.269 -99.200 -91.000 PHE 114 1.000 53.783 45.991 -17.479 -99.200 -91.000 TRP 142 1.040 36.002 58.835 -4.019 -99.200 -91.000 TRP6 142 1.020 34.661 57.497 -5.425 -99.200 -91.000 HIS 144 0.900 35.854 57.437 3.809 -99.200 -91.000 TYR 186 0.840 37.066 52.023 3.118 -99.200 -91.000 TYR 187 0.840 43.823 52.092 -1.727 -99.200 -91.000 PHE 188 1.000 42.122 49.465 6.290 -99.200 -91.000 PHE 194 1.000 41.679 50.301 11.595 -99.200 -91.000 TRP 201 1.040 49.598 46.208 0.566 -99.200 -91.000 TRP6 201 1.020 47.925 44.670 -0.066 -99.200 -91.000 TRP 222 1.040 56.739 40.700 -14.617 -99.200 -91.000 TRP6 222 1.020 57.378 42.930 -14.182 -99.200 -91.000 PHE 226 1.000 56.736 43.969 -1.399 -99.200 -91.000 TYR 242 0.840 55.766 36.738 -2.441 -99.200 -91.000 TRP 259 1.040 39.941 51.252 22.901 -99.200 -91.000 TRP6 259 1.020 40.002 53.238 21.633 -99.200 -91.000 TRP 268 1.040 32.782 54.733 21.164 -99.200 -91.000 TRP6 268 1.020 35.126 54.867 20.953 -99.200 -91.000 TYR 281 0.840 36.681 71.010 11.225 -99.200 -91.000 TRP 283 1.040 40.191 77.479 19.053 -99.200 -91.000 TRP6 283 1.020 41.854 76.978 17.446 -99.200 -91.000 TYR 289 0.840 44.089 82.989 16.748 -99.200 -91.000 PHE 293 1.000 43.043 74.499 2.468 -99.200 -91.000 PHE 309 1.000 46.603 79.446 13.382 -99.200 -91.000 TYR 333 0.840 51.912 66.331 2.522 -99.200 -91.000 PHE 346 1.000 44.152 59.903 12.235 -99.200 -91.000 TRP 363 1.040 49.188 80.505 28.168 -99.200 -91.000 TRP6 363 1.020 51.486 80.342 27.703 -99.200 -91.000