============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 2 0.840 32.905 0.822 30.773 -99.200 -91.000 TYR 6 0.840 16.702 1.698 29.635 -99.200 -91.000 PHE 7 1.000 12.642 3.660 33.311 -99.200 -91.000 TRP 27 1.040 26.761 -3.874 31.621 -99.200 -91.000 TRP6 27 1.020 27.242 -5.471 29.893 -99.200 -91.000 TRP 37 1.040 10.836 7.513 35.908 -99.200 -91.000 TRP6 37 1.020 13.081 8.223 35.865 -99.200 -91.000 TYR 48 0.840 19.765 16.371 28.222 -99.200 -91.000 PHE 54 1.000 28.153 3.577 30.451 -99.200 -91.000 TYR 62 0.840 22.177 11.788 33.218 -99.200 -91.000 HIS 70 0.900 32.787 7.769 27.148 -99.200 -91.000 TYR 78 0.840 32.851 7.944 16.290 -99.200 -91.000 TYR 102 0.840 10.427 -1.163 18.029 -99.200 -91.000 TYR 110 0.840 1.946 -3.486 18.603 -99.200 -91.000 TYR 117 0.840 7.113 0.915 12.261 -99.200 -91.000 PHE 128 1.000 19.756 1.729 8.349 -99.200 -91.000 PHE 141 1.000 32.960 -5.781 11.103 -99.200 -91.000 PHE 149 1.000 28.949 5.128 17.230 -99.200 -91.000 TYR 152 0.840 29.030 -3.728 18.795 -99.200 -91.000 HIS 161 0.900 12.460 -2.229 13.285 -99.200 -91.000 PHE 172 1.000 15.213 -5.227 2.490 -99.200 -91.000 TYR 178 0.840 25.186 -5.994 9.848 -99.200 -91.000 PHE 191 1.000 24.413 -9.094 26.460 -99.200 -91.000 TYR 197 0.840 19.402 -9.984 24.097 -99.200 -91.000