============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 18 1.000 -11.687 -20.898 23.371 -99.200 -91.000 HIS 22 0.900 -1.386 -11.668 16.341 -99.200 -91.000 HIS 24 0.900 -3.353 -11.465 10.981 -99.200 -91.000 PHE 32 1.000 -1.866 -8.614 -3.728 -99.200 -91.000 TRP 36 1.040 -3.129 -10.461 -8.833 -99.200 -91.000 TRP6 36 1.020 -0.777 -10.220 -8.642 -99.200 -91.000 PHE 39 1.000 -0.922 -13.986 -4.257 -99.200 -91.000 PHE 40 1.000 -5.338 -13.074 -1.501 -99.200 -91.000 PHE 71 1.000 -3.872 1.827 4.735 -99.200 -91.000 HIS 90 0.900 -20.229 -12.302 18.664 -99.200 -91.000 TRP 98 1.040 2.597 -6.577 10.336 -99.200 -91.000 TRP6 98 1.020 3.032 -7.162 8.084 -99.200 -91.000 PHE 99 1.000 6.738 -6.743 9.632 -99.200 -91.000 PHE 116 1.000 -5.566 5.388 9.493 -99.200 -91.000 PHE 117 1.000 -2.629 4.393 14.628 -99.200 -91.000 TYR 123 0.840 -15.028 10.306 14.721 -99.200 -91.000 PHE 145 1.000 5.338 5.457 10.350 -99.200 -91.000 HIS 167 0.900 5.674 -8.949 14.120 -99.200 -91.000 PHE 182 1.000 2.867 0.228 23.561 -99.200 -91.000 HIS 196 0.900 3.482 -12.441 16.446 -99.200 -91.000 TYR 205 0.840 10.864 -10.474 26.362 -99.200 -91.000 TYR 214 0.840 3.552 -3.714 29.667 -99.200 -91.000 HIS 220 0.900 4.001 -16.292 15.764 -99.200 -91.000 HIS 223 0.900 2.299 -19.118 13.250 -99.200 -91.000 TRP 243 1.040 1.759 -29.346 18.971 -99.200 -91.000 TRP6 243 1.020 0.420 -29.552 20.931 -99.200 -91.000 TYR 258 0.840 3.763 -13.330 36.876 -99.200 -91.000 TRP 268 1.040 -4.124 -21.194 10.288 -99.200 -91.000 TRP6 268 1.020 -1.911 -21.949 10.636 -99.200 -91.000 PHE 270 1.000 -9.612 -18.812 7.740 -99.200 -91.000 PHE 272 1.000 1.735 -15.040 5.250 -99.200 -91.000 TYR 275 0.840 7.040 -15.972 3.976 -99.200 -91.000 PHE 293 1.000 -2.159 -26.566 17.341 -99.200 -91.000 PHE 301 1.000 0.965 -30.150 25.929 -99.200 -91.000 PHE 323 1.000 -5.707 -6.981 25.094 -99.200 -91.000