============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 5 0.840 3.506 -2.589 2.916 -99.200 -91.000 TRP 14 1.040 5.621 -7.290 15.843 -99.200 -91.000 TRP6 14 1.020 4.981 -9.225 14.648 -99.200 -91.000 PHE 26 1.000 7.723 9.969 22.826 -99.200 -91.000 PHE 35 1.000 2.194 -6.956 34.272 -99.200 -91.000 TYR 36 0.840 8.833 -6.508 32.035 -99.200 -91.000 HIS 42 0.900 16.578 7.661 19.604 -99.200 -91.000 TYR 45 0.840 17.936 11.410 24.302 -99.200 -91.000 PHE 50 1.000 7.669 7.227 28.095 -99.200 -91.000 HIS 69 0.900 -1.816 -1.358 28.629 -99.200 -91.000 HIS 77 0.900 22.866 -1.892 28.073 -99.200 -91.000 PHE 80 1.000 21.490 6.201 24.453 -99.200 -91.000 TYR 85 0.840 22.810 8.994 18.958 -99.200 -91.000 PHE 87 1.000 26.348 -1.191 24.982 -99.200 -91.000 PHE 100 1.000 0.058 -10.234 25.138 -99.200 -91.000 TRP 125 1.040 1.730 4.406 14.459 -99.200 -91.000 TRP6 125 1.020 -0.357 4.871 13.454 -99.200 -91.000 TYR 135 0.840 5.966 12.966 11.724 -99.200 -91.000 TYR 156 0.840 25.415 5.255 8.347 -99.200 -91.000 PHE 165 1.000 20.181 -5.644 12.284 -99.200 -91.000 PHE 169 1.000 15.176 -1.329 -0.067 -99.200 -91.000 TRP 196 1.040 22.809 5.049 14.769 -99.200 -91.000 TRP6 196 1.020 24.423 5.771 13.188 -99.200 -91.000 TYR 209 0.840 16.911 -0.571 11.122 -99.200 -91.000 TYR 213 0.840 22.106 -14.033 18.431 -99.200 -91.000 TYR 215 0.840 22.073 -4.685 22.990 -99.200 -91.000 TRP 218 1.040 20.548 -5.086 29.548 -99.200 -91.000 TRP6 218 1.020 18.635 -3.952 28.740 -99.200 -91.000