============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 1 0.840 19.867 49.820 8.462 -99.200 -91.000 TYR 18 0.840 6.595 51.975 16.128 -99.200 -91.000 TYR 28 0.840 -7.521 43.564 10.911 -99.200 -91.000 PHE 30 1.000 -7.120 35.465 2.891 -99.200 -91.000 HIS 32 0.900 0.466 45.222 1.913 -99.200 -91.000 TYR 34 0.840 3.623 45.273 -1.344 -99.200 -91.000 HIS 36 0.900 -4.826 37.371 -3.387 -99.200 -91.000 PHE 38 1.000 0.859 36.082 -6.645 -99.200 -91.000 TYR 43 0.840 7.175 41.502 -2.968 -99.200 -91.000 PHE 53 1.000 10.717 37.210 2.144 -99.200 -91.000 TYR 59 0.840 3.745 29.431 -2.106 -99.200 -91.000 TRP 65 1.040 -0.931 37.647 6.722 -99.200 -91.000 TRP6 65 1.020 -1.958 35.726 7.664 -99.200 -91.000 PHE 68 1.000 7.534 36.696 -0.662 -99.200 -91.000 HIS 80 0.900 15.040 35.910 15.987 -99.200 -91.000 PHE 83 1.000 8.177 28.084 22.358 -99.200 -91.000 TYR 85 0.840 -3.536 28.389 23.731 -99.200 -91.000 HIS 94 0.900 21.974 40.109 9.142 -99.200 -91.000 HIS 99 0.900 6.564 39.858 13.243 -99.200 -91.000 HIS 102 0.900 4.889 34.562 12.990 -99.200 -91.000 PHE 104 1.000 3.471 29.504 9.435 -99.200 -91.000 TYR 116 0.840 11.034 31.780 4.663 -99.200 -91.000 PHE 125 1.000 6.734 44.469 -6.761 -99.200 -91.000 TYR 135 0.840 16.822 47.777 -3.718 -99.200 -91.000