============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 -1.565 -15.075 16.647 -99.200 -91.000 PHE 9 1.000 -2.212 -5.769 17.461 -99.200 -91.000 HIS 21 0.900 -3.995 -9.997 18.626 -99.200 -91.000 TYR 22 0.840 -10.322 -6.994 16.434 -99.200 -91.000 HIS 23 0.900 -6.241 -14.139 16.632 -99.200 -91.000 HIS 37 0.900 -8.755 -14.763 26.624 -99.200 -91.000 TRP 46 1.040 -4.673 -18.949 16.631 -99.200 -91.000 TRP6 46 1.020 -6.153 -18.418 14.933 -99.200 -91.000 PHE 49 1.000 -12.936 -19.176 22.508 -99.200 -91.000 HIS 59 0.900 -22.174 -22.972 10.575 -99.200 -91.000 PHE 60 1.000 -23.051 -18.208 14.151 -99.200 -91.000 HIS 61 0.900 -17.649 -9.949 11.553 -99.200 -91.000 TYR 70 0.840 -5.821 -13.059 30.908 -99.200 -91.000 HIS 72 0.900 0.621 -11.113 20.903 -99.200 -91.000 HIS 79 0.900 -7.357 -5.037 36.531 -99.200 -91.000 PHE 82 1.000 -9.791 -9.145 33.672 -99.200 -91.000 TYR 85 0.840 -9.019 -3.062 32.634 -99.200 -91.000 PHE 94 1.000 -20.021 -5.300 21.646 -99.200 -91.000 PHE 117 1.000 -20.912 -5.647 26.263 -99.200 -91.000 TYR 121 0.840 -21.240 -1.030 29.206 -99.200 -91.000 PHE 141 1.000 -24.555 -28.541 47.769 -99.200 -91.000 PHE 155 1.000 2.677 -19.713 36.574 -99.200 -91.000 PHE 167 1.000 -4.230 -22.919 35.861 -99.200 -91.000 TYR 173 0.840 -12.931 -37.671 32.820 -99.200 -91.000 PHE 187 1.000 7.652 -21.684 33.017 -99.200 -91.000 PHE 206 1.000 -12.603 -11.822 40.359 -99.200 -91.000 PHE 211 1.000 -17.458 -6.516 48.275 -99.200 -91.000 TRP 217 1.040 -23.265 -14.684 43.794 -99.200 -91.000 TRP6 217 1.020 -24.617 -14.366 45.697 -99.200 -91.000 TYR 221 0.840 -33.068 -9.662 40.104 -99.200 -91.000 TRP 231 1.040 -20.305 -25.699 35.156 -99.200 -91.000 TRP6 231 1.020 -21.465 -23.632 35.313 -99.200 -91.000 HIS 256 0.900 -25.887 -30.479 26.500 -99.200 -91.000 PHE 258 1.000 -21.318 -31.242 26.176 -99.200 -91.000 HIS 263 0.900 -12.597 -23.763 33.918 -99.200 -91.000 TRP 264 1.040 -8.949 -25.473 29.442 -99.200 -91.000 TRP6 264 1.020 -6.785 -26.183 28.807 -99.200 -91.000 PHE 270 1.000 -13.286 -31.024 18.108 -99.200 -91.000 PHE 273 1.000 -18.248 -24.180 22.606 -99.200 -91.000 PHE 280 1.000 -28.639 -20.199 23.307 -99.200 -91.000