============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 5 1.000 56.546 13.063 18.265 -99.200 -91.000 TYR 7 0.840 58.360 14.020 9.348 -99.200 -91.000 HIS 11 0.900 60.666 12.215 6.796 -99.200 -91.000 PHE 13 1.000 68.106 20.091 12.739 -99.200 -91.000 TYR 27 0.840 51.566 27.506 2.286 -99.200 -91.000 TYR 51 0.840 48.154 15.451 9.648 -99.200 -91.000 PHE 62 1.000 44.953 18.565 14.750 -99.200 -91.000 TYR 63 0.840 41.960 16.841 22.111 -99.200 -91.000 PHE 64 1.000 33.409 17.391 15.510 -99.200 -91.000 HIS 71 0.900 35.422 6.557 10.743 -99.200 -91.000 PHE 79 1.000 43.260 12.512 27.890 -99.200 -91.000 PHE 80 1.000 46.149 16.933 19.472 -99.200 -91.000 PHE 81 1.000 49.456 12.722 26.361 -99.200 -91.000 TYR 97 0.840 55.692 26.674 14.744 -99.200 -91.000 HIS 100 0.900 55.265 24.098 24.526 -99.200 -91.000 HIS 101 0.900 59.785 26.976 16.980 -99.200 -91.000 PHE 105 1.000 62.895 27.303 11.582 -99.200 -91.000 PHE 106 1.000 58.034 20.046 9.921 -99.200 -91.000 TYR 108 0.840 58.610 16.892 15.566 -99.200 -91.000 TYR 111 0.840 46.691 9.988 17.531 -99.200 -91.000 TYR 117 0.840 52.508 8.631 25.907 -99.200 -91.000