============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 8 0.900 2.676 5.543 17.273 -99.200 -91.000 PHE 16 1.000 6.901 -2.550 30.980 -99.200 -91.000 TRP 22 1.040 1.642 -4.135 20.258 -99.200 -91.000 TRP6 22 1.020 2.457 -2.059 21.051 -99.200 -91.000 HIS 23 0.900 1.640 -10.792 23.738 -99.200 -91.000 HIS 30 0.900 1.182 -3.119 7.692 -99.200 -91.000 HIS 38 0.900 10.777 -4.350 -0.823 -99.200 -91.000 PHE 47 1.000 20.105 -9.817 15.285 -99.200 -91.000 PHE 68 1.000 25.814 -7.571 16.720 -99.200 -91.000 HIS 77 0.900 30.464 -1.295 12.662 -99.200 -91.000 TYR 83 0.840 21.147 8.868 4.629 -99.200 -91.000 HIS 88 0.900 10.364 0.725 0.303 -99.200 -91.000 PHE 90 1.000 9.966 -1.136 4.046 -99.200 -91.000 PHE 92 1.000 11.454 -4.451 11.995 -99.200 -91.000 PHE 98 1.000 11.409 3.338 14.932 -99.200 -91.000 TYR 109 0.840 4.820 2.005 4.046 -99.200 -91.000 PHE 117 1.000 -1.384 -2.513 24.946 -99.200 -91.000 PHE 122 1.000 7.787 6.299 26.284 -99.200 -91.000 PHE 123 1.000 7.882 6.842 15.408 -99.200 -91.000 TYR 126 0.840 3.637 10.537 14.261 -99.200 -91.000 PHE 128 1.000 -1.359 12.612 11.892 -99.200 -91.000 TRP 131 1.040 5.366 13.170 9.423 -99.200 -91.000 TRP6 131 1.020 6.717 11.998 7.871 -99.200 -91.000 HIS 149 0.900 -4.613 -4.384 14.573 -99.200 -91.000 PHE 151 1.000 -2.237 -2.988 9.814 -99.200 -91.000 HIS 153 0.900 2.542 5.295 2.397 -99.200 -91.000