============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 22 0.840 0.587 34.639 25.901 -99.200 -91.000 TYR 34 0.840 -4.549 21.344 33.460 -99.200 -91.000 PHE 47 1.000 -24.544 36.343 31.432 -99.200 -91.000 PHE 57 1.000 -30.759 36.445 20.728 -99.200 -91.000 PHE 59 1.000 -25.894 34.854 26.994 -99.200 -91.000 HIS 74 0.900 -33.160 33.768 17.649 -99.200 -91.000 PHE 76 1.000 -25.611 35.695 21.665 -99.200 -91.000 PHE 87 1.000 -4.211 32.732 28.842 -99.200 -91.000 HIS 89 0.900 2.034 23.892 29.683 -99.200 -91.000 PHE 93 1.000 -2.674 28.356 16.816 -99.200 -91.000 PHE 94 1.000 -4.182 32.659 23.858 -99.200 -91.000 TYR 112 0.840 -9.669 38.783 18.295 -99.200 -91.000 PHE 120 1.000 -9.466 32.793 11.466 -99.200 -91.000 PHE 129 1.000 -17.026 37.908 4.659 -99.200 -91.000 PHE 130 1.000 -7.123 36.294 8.396 -99.200 -91.000 HIS 154 0.900 -4.913 15.635 26.519 -99.200 -91.000 HIS 158 0.900 -4.731 7.766 25.019 -99.200 -91.000 TYR 161 0.840 -5.116 10.493 17.407 -99.200 -91.000 PHE 178 1.000 -1.358 24.074 14.218 -99.200 -91.000 TYR 187 0.840 -4.790 28.968 11.822 -99.200 -91.000 PHE 196 1.000 -9.729 19.573 14.182 -99.200 -91.000 TRP 197 1.040 -8.700 12.369 12.994 -99.200 -91.000 TRP6 197 1.020 -6.492 12.675 12.160 -99.200 -91.000 TRP 204 1.040 -17.585 24.167 25.227 -99.200 -91.000 TRP6 204 1.020 -19.225 23.345 26.724 -99.200 -91.000 PHE 219 1.000 -19.157 19.899 0.900 -99.200 -91.000 PHE 230 1.000 -23.300 20.941 17.235 -99.200 -91.000 HIS 241 0.900 -12.415 16.821 -5.105 -99.200 -91.000