============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 27 1.000 50.159 51.376 19.348 -99.200 -91.000 TYR 30 0.840 58.028 42.302 18.823 -99.200 -91.000 TYR 32 0.840 53.473 50.005 23.013 -99.200 -91.000 HIS 35 0.900 45.634 43.528 27.885 -99.200 -91.000 TRP 36 1.040 40.296 42.614 20.911 -99.200 -91.000 TRP6 36 1.020 39.104 44.065 19.495 -99.200 -91.000 TRP 47 1.040 41.322 41.314 29.789 -99.200 -91.000 TRP6 47 1.020 41.581 39.008 30.121 -99.200 -91.000 TYR 54 0.840 55.451 41.694 25.463 -99.200 -91.000 TYR 57 0.840 49.923 35.296 28.836 -99.200 -91.000 TYR 60 0.840 42.001 33.655 24.314 -99.200 -91.000 PHE 68 1.000 34.084 36.142 22.299 -99.200 -91.000 TYR 80 0.840 43.046 40.930 12.195 -99.200 -91.000 TYR 94 0.840 32.338 42.402 22.275 -99.200 -91.000 TYR 95 0.840 34.792 50.743 24.637 -99.200 -91.000 TYR 99 0.840 48.813 46.049 30.769 -99.200 -91.000 TYR 102 0.840 61.611 46.564 31.460 -99.200 -91.000 TYR 103 0.840 60.168 43.188 24.194 -99.200 -91.000 TYR 105 0.840 62.324 52.133 29.912 -99.200 -91.000 TYR 107 0.840 57.736 50.944 32.481 -99.200 -91.000 TYR 109 0.840 54.138 46.665 33.907 -99.200 -91.000 TYR 113 0.840 47.602 56.451 23.605 -99.200 -91.000 TRP 114 1.040 41.032 52.185 27.319 -99.200 -91.000 TRP6 114 1.020 39.521 50.579 28.138 -99.200 -91.000 PHE 133 1.000 7.624 59.556 10.684 -99.200 -91.000 TYR 150 0.840 17.145 53.310 15.302 -99.200 -91.000 PHE 151 1.000 17.349 44.867 16.153 -99.200 -91.000 TRP 159 1.040 19.934 68.742 14.386 -99.200 -91.000 TRP6 159 1.020 17.729 69.034 13.612 -99.200 -91.000 HIS 169 0.900 20.029 69.133 24.865 -99.200 -91.000 PHE 171 1.000 15.847 64.058 24.478 -99.200 -91.000 TYR 181 0.840 17.119 49.440 20.194 -99.200 -91.000 TYR 199 0.840 17.111 76.433 11.867 -99.200 -91.000 HIS 205 0.900 19.946 51.658 10.893 -99.200 -91.000