============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 22 0.900 3.354 6.401 4.484 -99.200 -91.000 PHE 24 1.000 0.246 4.211 9.584 -99.200 -91.000 TRP 32 1.040 -1.345 -0.287 13.533 -99.200 -91.000 TRP6 32 1.020 0.061 0.304 15.381 -99.200 -91.000 PHE 35 1.000 2.362 10.908 16.179 -99.200 -91.000 HIS 47 0.900 17.084 14.695 11.275 -99.200 -91.000 PHE 55 1.000 7.011 10.275 20.277 -99.200 -91.000 TYR 60 0.840 3.533 7.112 19.139 -99.200 -91.000 TYR 69 0.840 15.767 1.186 -1.263 -99.200 -91.000 TRP 70 1.040 16.693 -3.551 -1.728 -99.200 -91.000 TRP6 70 1.020 15.320 -3.664 0.082 -99.200 -91.000 HIS 79 0.900 4.607 -6.335 4.605 -99.200 -91.000 HIS 81 0.900 3.752 -1.485 4.149 -99.200 -91.000 PHE 86 1.000 8.364 4.284 18.818 -99.200 -91.000 TYR 96 0.840 10.872 6.643 22.298 -99.200 -91.000 TYR 105 0.840 12.870 -12.561 0.611 -99.200 -91.000 TYR 107 0.840 12.592 -5.681 10.106 -99.200 -91.000