============================================================================= 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 31.528 17.125 3.144 -99.200 -91.000 PHE 21 1.000 15.132 9.682 13.432 -99.200 -91.000 PHE 36 1.000 19.115 11.336 -0.768 -99.200 -91.000 PHE 38 1.000 17.211 4.053 -0.275 -99.200 -91.000 TYR 47 0.840 20.163 9.837 9.285 -99.200 -91.000 PHE 64 1.000 17.021 24.587 1.667 -99.200 -91.000 HIS 75 0.900 30.507 28.638 9.928 -99.200 -91.000 HIS 96 0.900 10.174 24.919 1.561 -99.200 -91.000 PHE 99 1.000 6.904 16.567 -1.537 -99.200 -91.000 TYR 107 0.840 13.676 10.975 0.904 -99.200 -91.000 PHE 113 1.000 19.718 20.447 -0.803 -99.200 -91.000 PHE 121 1.000 23.762 15.726 -1.746 -99.200 -91.000 TRP 123 1.040 21.669 13.084 4.401 -99.200 -91.000 TRP6 123 1.020 20.922 15.296 4.025 -99.200 -91.000