============================================================================= 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. PHE 5 1.000 5.123 2.345 -5.124 -99.200 -91.000 PHE 8 1.000 8.191 14.742 -11.250 -99.200 -91.000 TYR 9 0.840 2.561 10.490 -17.259 -99.200 -91.000 HIS 24 0.900 4.191 -7.553 -2.828 -99.200 -91.000 PHE 31 1.000 5.492 -3.240 6.792 -99.200 -91.000 TYR 39 0.840 -4.579 -6.151 -1.567 -99.200 -91.000 HIS 45 0.900 1.633 13.104 -9.905 -99.200 -91.000 TYR 59 0.840 17.966 12.974 2.408 -99.200 -91.000 PHE 83 1.000 8.406 -0.392 3.183 -99.200 -91.000 TYR 84 0.840 10.331 4.061 6.789 -99.200 -91.000 TRP 114 1.040 -6.916 -2.654 6.219 -99.200 -91.000 TRP6 114 1.020 -5.692 -1.889 4.359 -99.200 -91.000 PHE 116 1.000 -7.354 -6.674 2.438 -99.200 -91.000 PHE 123 1.000 -6.586 -7.611 7.806 -99.200 -91.000