============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 2 1.000 -14.627 -14.209 12.233 -99.200 -91.000 PHE 6 1.000 -7.748 2.866 9.135 -99.200 -91.000 HIS 13 0.900 4.812 19.793 -2.535 -99.200 -91.000 PHE 24 1.000 -5.100 10.463 5.724 -99.200 -91.000 TYR 35 0.840 -8.784 5.324 4.400 -99.200 -91.000 PHE 42 1.000 -13.314 1.649 9.796 -99.200 -91.000 TYR 50 0.840 -13.412 -0.803 14.574 -99.200 -91.000 TYR 51 0.840 -6.358 5.220 19.722 -99.200 -91.000 PHE 52 1.000 -11.720 4.873 13.768 -99.200 -91.000 TYR 54 0.840 -5.584 13.818 13.213 -99.200 -91.000 HIS 55 0.900 0.452 10.927 15.524 -99.200 -91.000 HIS 58 0.900 0.013 22.067 10.810 -99.200 -91.000 TYR 67 0.840 -17.236 15.681 9.592 -99.200 -91.000 PHE 76 1.000 -8.403 16.653 18.715 -99.200 -91.000 HIS 79 0.900 -4.334 28.700 14.157 -99.200 -91.000 TRP 102 1.040 -15.563 11.954 6.478 -99.200 -91.000 TRP6 102 1.020 -17.771 11.104 6.616 -99.200 -91.000 TYR 108 0.840 -7.483 28.587 10.012 -99.200 -91.000 TYR 109 0.840 -6.263 25.091 2.052 -99.200 -91.000 PHE 121 1.000 -8.097 7.962 9.988 -99.200 -91.000 PHE 124 1.000 -5.105 0.429 17.250 -99.200 -91.000 PHE 127 1.000 -11.563 -3.670 24.606 -99.200 -91.000