============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 15 0.900 -7.243 16.122 17.915 -99.200 -91.000 HIS 34 0.900 0.581 -0.759 28.172 -99.200 -91.000 PHE 36 1.000 -0.794 5.349 25.568 -99.200 -91.000 PHE 52 1.000 -6.866 27.272 26.146 -99.200 -91.000 PHE 63 1.000 3.657 18.020 24.572 -99.200 -91.000 PHE 72 1.000 6.288 19.141 28.756 -99.200 -91.000 TRP 73 1.040 2.915 25.981 32.217 -99.200 -91.000 TRP6 73 1.020 2.845 28.159 33.107 -99.200 -91.000 PHE 84 1.000 8.996 15.067 31.987 -99.200 -91.000 TYR 100 0.840 -7.720 25.377 34.856 -99.200 -91.000 TRP 135 1.040 9.030 9.494 17.993 -99.200 -91.000 TRP6 135 1.020 10.080 9.165 20.084 -99.200 -91.000