============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 7 1.000 22.772 12.977 27.976 -99.200 -91.000 TYR 8 0.840 26.632 7.929 22.978 -99.200 -91.000 TYR 20 0.840 17.464 9.831 30.240 -99.200 -91.000 PHE 21 1.000 24.571 3.078 25.135 -99.200 -91.000 TRP 23 1.040 16.496 10.946 23.612 -99.200 -91.000 TRP6 23 1.020 17.927 12.455 24.748 -99.200 -91.000 TYR 26 0.840 15.454 9.713 17.784 -99.200 -91.000 PHE 29 1.000 22.866 6.023 13.347 -99.200 -91.000 TYR 35 0.840 16.200 10.694 9.157 -99.200 -91.000 PHE 42 1.000 14.065 5.827 21.789 -99.200 -91.000 HIS 49 0.900 14.220 14.273 30.769 -99.200 -91.000 TYR 65 0.840 20.953 6.075 6.359 -99.200 -91.000 HIS 67 0.900 20.506 3.328 -3.613 -99.200 -91.000 PHE 68 1.000 23.094 2.064 4.100 -99.200 -91.000 TYR 85 0.840 21.137 -10.414 30.892 -99.200 -91.000 HIS 93 0.900 15.198 -7.188 17.742 -99.200 -91.000 TYR 97 0.840 14.668 -3.834 7.572 -99.200 -91.000 TYR 105 0.840 25.231 -3.874 5.636 -99.200 -91.000 PHE 108 1.000 25.584 -4.871 21.143 -99.200 -91.000 PHE 117 1.000 26.668 -9.074 20.928 -99.200 -91.000 HIS 120 0.900 24.450 -15.799 19.109 -99.200 -91.000 PHE 123 1.000 26.191 -19.874 12.397 -99.200 -91.000 PHE 138 1.000 27.582 5.815 16.936 -99.200 -91.000 HIS 151 0.900 25.315 15.574 2.102 -99.200 -91.000 PHE 152 1.000 25.356 10.179 7.182 -99.200 -91.000 TYR 171 0.840 31.686 -20.025 14.945 -99.200 -91.000 TRP 177 1.040 34.627 -8.391 13.050 -99.200 -91.000 TRP6 177 1.020 32.546 -9.161 13.875 -99.200 -91.000 PHE 180 1.000 39.764 -4.145 9.729 -99.200 -91.000 TYR 183 0.840 45.950 -0.750 12.965 -99.200 -91.000