============================================================================= 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 6 1.000 29.471 15.466 -3.336 -99.200 -91.000 PHE 21 1.000 37.165 31.662 -13.453 -99.200 -91.000 PHE 36 1.000 35.423 27.669 0.690 -99.200 -91.000 PHE 38 1.000 42.776 29.557 0.257 -99.200 -91.000 TYR 47 0.840 36.991 26.629 -9.309 -99.200 -91.000 PHE 64 1.000 22.202 29.878 -1.702 -99.200 -91.000 HIS 75 0.900 17.517 16.468 -9.225 -99.200 -91.000 HIS 96 0.900 21.850 36.803 -1.704 -99.200 -91.000 PHE 99 1.000 30.524 39.788 1.861 -99.200 -91.000 TYR 107 0.840 35.982 33.037 -0.860 -99.200 -91.000 PHE 113 1.000 26.231 27.199 0.866 -99.200 -91.000 PHE 121 1.000 30.972 23.034 1.603 -99.200 -91.000 TRP 123 1.040 33.800 25.194 -4.389 -99.200 -91.000 TRP6 123 1.020 31.580 25.905 -3.987 -99.200 -91.000