============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 28 1.000 19.528 13.323 24.763 -99.200 -91.000 TYR 31 0.840 14.032 8.369 28.752 -99.200 -91.000 PHE 33 1.000 17.356 8.953 23.140 -99.200 -91.000 TRP 35 1.040 18.359 7.013 14.837 -99.200 -91.000 TRP6 35 1.020 16.838 8.468 13.762 -99.200 -91.000 TRP 46 1.040 18.118 -2.726 16.606 -99.200 -91.000 TRP6 46 1.020 20.457 -2.984 16.820 -99.200 -91.000 HIS 58 0.900 27.106 -1.335 21.361 -99.200 -91.000 TYR 59 0.840 26.675 2.370 14.437 -99.200 -91.000 HIS 62 0.900 24.444 -8.410 6.561 -99.200 -91.000 TYR 79 0.840 21.742 15.549 15.608 -99.200 -91.000 TYR 93 0.840 16.183 5.639 6.748 -99.200 -91.000 PHE 94 1.000 8.630 4.597 11.703 -99.200 -91.000 TYR 99 0.840 13.847 5.741 33.586 -99.200 -91.000 TYR 108 0.840 22.323 2.629 30.508 -99.200 -91.000 PHE 112 1.000 11.567 -2.405 27.033 -99.200 -91.000 HIS 115 0.900 8.569 6.959 25.922 -99.200 -91.000 TRP 116 1.040 8.320 3.159 18.856 -99.200 -91.000 TRP6 116 1.020 9.468 2.006 17.143 -99.200 -91.000 PHE 135 1.000 -2.440 11.689 -18.860 -99.200 -91.000 TYR 151 0.840 3.171 10.596 -7.699 -99.200 -91.000 PHE 152 1.000 11.823 11.643 -7.062 -99.200 -91.000 TRP 160 1.040 -12.253 10.975 -6.375 -99.200 -91.000 TRP6 160 1.020 -12.471 11.146 -8.726 -99.200 -91.000 HIS 170 0.900 -12.552 1.398 -3.251 -99.200 -91.000 PHE 172 1.000 -6.870 0.785 -6.484 -99.200 -91.000 TYR 182 0.840 7.649 7.132 -6.036 -99.200 -91.000 TYR 200 0.840 -19.849 12.172 -9.937 -99.200 -91.000 HIS 206 0.900 4.267 15.982 -6.190 -99.200 -91.000