============================================================================= 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. PHE 10 1.000 -2.625 39.486 17.820 -99.200 -91.000 TYR 26 0.840 3.599 36.621 33.465 -99.200 -91.000 TRP 41 1.040 8.531 36.630 18.560 -99.200 -91.000 TRP6 41 1.020 7.178 38.419 19.308 -99.200 -91.000 PHE 46 1.000 12.695 24.882 3.899 -99.200 -91.000 TRP 64 1.040 22.989 40.744 14.342 -99.200 -91.000 TRP6 64 1.020 24.855 39.288 14.398 -99.200 -91.000 HIS 70 0.900 19.325 21.635 19.432 -99.200 -91.000 TYR 74 0.840 23.523 16.127 18.829 -99.200 -91.000 TRP 76 1.040 21.560 12.434 16.321 -99.200 -91.000 TRP6 76 1.020 19.357 13.310 16.232 -99.200 -91.000 PHE 80 1.000 22.689 21.088 8.831 -99.200 -91.000 HIS 92 0.900 -1.060 30.933 10.238 -99.200 -91.000 TYR 97 0.840 7.295 31.860 -1.972 -99.200 -91.000 TYR 111 0.840 29.349 35.607 14.163 -99.200 -91.000 HIS 113 0.900 29.075 30.285 24.826 -99.200 -91.000 TYR 116 0.840 26.641 23.058 21.106 -99.200 -91.000 TRP 118 1.040 30.065 19.266 20.412 -99.200 -91.000 TRP6 118 1.020 30.989 17.107 20.082 -99.200 -91.000 PHE 137 1.000 12.101 44.901 11.805 -99.200 -91.000 TYR 140 0.840 1.176 39.527 7.596 -99.200 -91.000 HIS 142 0.900 7.861 44.795 15.556 -99.200 -91.000 TYR 159 0.840 5.808 34.624 37.997 -99.200 -91.000 TRP 166 1.040 5.391 26.538 11.182 -99.200 -91.000 TRP6 166 1.020 6.987 28.280 11.316 -99.200 -91.000 PHE 203 1.000 13.897 28.769 30.942 -99.200 -91.000 TYR 207 0.840 0.490 22.996 32.180 -99.200 -91.000 PHE 226 1.000 9.426 29.608 28.286 -99.200 -91.000 PHE 232 1.000 6.935 44.256 36.060 -99.200 -91.000 TRP 236 1.040 4.295 39.559 23.401 -99.200 -91.000 TRP6 236 1.020 3.438 37.591 24.384 -99.200 -91.000 TYR 237 0.840 11.296 42.289 27.698 -99.200 -91.000 TRP 244 1.040 18.709 19.380 27.196 -99.200 -91.000 TRP6 244 1.020 18.138 17.762 28.833 -99.200 -91.000 TYR 254 0.840 8.804 18.458 34.625 -99.200 -91.000 PHE 256 1.000 15.812 19.969 31.558 -99.200 -91.000 TYR 257 0.840 11.775 25.368 26.961 -99.200 -91.000 HIS 259 0.900 18.537 31.990 32.670 -99.200 -91.000 PHE 261 1.000 20.239 38.787 32.494 -99.200 -91.000 TRP 266 1.040 28.815 34.169 22.656 -99.200 -91.000 TRP6 266 1.020 27.046 33.463 21.259 -99.200 -91.000 PHE 274 1.000 32.783 38.592 15.252 -99.200 -91.000