============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 31 0.840 -10.745 -5.208 14.920 -99.200 -91.000 PHE 41 1.000 3.050 1.794 12.483 -99.200 -91.000 HIS 47 0.900 -5.374 1.203 23.584 -99.200 -91.000 PHE 55 1.000 -11.379 3.995 12.546 -99.200 -91.000 TYR 56 0.840 -13.848 -0.535 11.752 -99.200 -91.000 HIS 74 0.900 3.346 -20.754 7.445 -99.200 -91.000 PHE 82 1.000 -7.640 -1.805 3.414 -99.200 -91.000 TRP 88 1.040 -12.773 15.284 3.493 -99.200 -91.000 TRP6 88 1.020 -10.849 16.305 2.639 -99.200 -91.000 PHE 103 1.000 -6.371 -12.327 12.220 -99.200 -91.000 HIS 106 0.900 -9.477 -17.855 22.513 -99.200 -91.000 TYR 115 0.840 2.335 0.144 8.423 -99.200 -91.000 TRP 116 1.040 -4.543 5.489 6.576 -99.200 -91.000 TRP6 116 1.020 -5.275 7.738 6.621 -99.200 -91.000