============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 11 1.000 29.049 -2.139 8.751 -99.200 -91.000 TYR 30 0.840 13.524 -5.833 8.055 -99.200 -91.000 HIS 36 0.900 15.728 -20.253 2.536 -99.200 -91.000 TRP 45 1.040 19.028 -7.101 7.719 -99.200 -91.000 TRP6 45 1.020 20.158 -8.688 9.035 -99.200 -91.000 HIS 52 0.900 13.301 1.339 8.359 -99.200 -91.000 HIS 55 0.900 13.629 -6.230 19.285 -99.200 -91.000 PHE 56 1.000 17.579 -11.408 14.239 -99.200 -91.000 TYR 77 0.840 23.671 -4.842 13.691 -99.200 -91.000 PHE 81 1.000 22.216 -14.925 11.016 -99.200 -91.000 TYR 87 0.840 18.910 -18.490 13.653 -99.200 -91.000 TYR 89 0.840 15.113 -9.866 9.973 -99.200 -91.000 HIS 90 0.900 10.379 -7.116 16.332 -99.200 -91.000 HIS 94 0.900 9.643 2.212 11.438 -99.200 -91.000 PHE 96 1.000 5.084 -0.793 9.854 -99.200 -91.000