============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 12 1.000 7.948 11.050 -12.206 -99.200 -91.000 PHE 19 1.000 4.608 13.053 -14.653 -99.200 -91.000 TYR 22 0.840 9.953 19.871 -5.321 -99.200 -91.000 TRP 44 1.040 15.684 14.969 -9.643 -99.200 -91.000 TRP6 44 1.020 14.166 13.172 -9.632 -99.200 -91.000 PHE 48 1.000 19.886 15.349 -1.624 -99.200 -91.000 PHE 50 1.000 19.609 13.954 4.720 -99.200 -91.000 TRP 64 1.040 6.493 17.181 -2.601 -99.200 -91.000 TRP6 64 1.020 4.287 17.716 -2.015 -99.200 -91.000 TRP 70 1.040 -1.730 23.086 -6.896 -99.200 -91.000 TRP6 70 1.020 -3.082 24.599 -8.074 -99.200 -91.000 TRP 78 1.040 9.216 6.070 7.238 -99.200 -91.000 TRP6 78 1.020 9.208 4.123 8.562 -99.200 -91.000 TRP 95 1.040 14.484 0.924 -10.938 -99.200 -91.000 TRP6 95 1.020 13.738 3.057 -11.616 -99.200 -91.000 PHE 117 1.000 -0.824 1.590 -12.269 -99.200 -91.000 HIS 118 0.900 3.295 8.188 -11.222 -99.200 -91.000 HIS 125 0.900 26.584 4.725 0.737 -99.200 -91.000 PHE 126 1.000 22.848 4.676 8.336 -99.200 -91.000