============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 8 1.040 9.858 53.546 14.639 -99.200 -91.000 TRP6 8 1.020 8.655 53.409 16.668 -99.200 -91.000 PHE 27 1.000 13.758 44.958 12.849 -99.200 -91.000 TYR 31 0.840 19.514 55.069 12.562 -99.200 -91.000 HIS 52 0.900 12.508 38.021 21.564 -99.200 -91.000 PHE 60 1.000 13.969 47.314 19.370 -99.200 -91.000 PHE 62 1.000 17.927 49.224 14.852 -99.200 -91.000 HIS 65 0.900 27.251 48.378 5.060 -99.200 -91.000 TRP 66 1.040 26.861 53.534 10.743 -99.200 -91.000 TRP6 66 1.020 24.790 54.655 10.938 -99.200 -91.000 PHE 68 1.000 27.692 57.775 6.949 -99.200 -91.000 PHE 75 1.000 20.922 52.366 16.990 -99.200 -91.000 PHE 80 1.000 9.444 49.534 27.741 -99.200 -91.000 TRP 93 1.040 23.701 54.567 20.548 -99.200 -91.000 TRP6 93 1.020 25.954 55.265 20.485 -99.200 -91.000 TYR 104 0.840 46.547 51.610 16.674 -99.200 -91.000 TRP 106 1.040 43.304 50.770 23.242 -99.200 -91.000 TRP6 106 1.020 42.689 52.863 24.136 -99.200 -91.000 TYR 113 0.840 20.325 58.857 25.969 -99.200 -91.000 PHE 116 1.000 15.547 55.132 17.536 -99.200 -91.000