============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 -2.828 -1.700 20.100 -99.200 -91.000 TYR 27 0.840 -4.873 5.714 26.173 -99.200 -91.000 HIS 32 0.900 10.062 -1.547 32.322 -99.200 -91.000 TYR 33 0.840 12.367 -6.087 27.610 -99.200 -91.000 HIS 34 0.900 15.092 -6.658 35.282 -99.200 -91.000 PHE 80 1.000 6.721 13.320 26.153 -99.200 -91.000 PHE 83 1.000 4.091 5.390 20.561 -99.200 -91.000 PHE 96 1.000 4.616 -11.389 46.383 -99.200 -91.000 TYR 97 0.840 13.006 -10.514 46.458 -99.200 -91.000 PHE 122 1.000 10.242 10.977 43.809 -99.200 -91.000 PHE 128 1.000 2.468 11.512 32.767 -99.200 -91.000 PHE 152 1.000 6.299 -12.337 50.646 -99.200 -91.000 TYR 155 0.840 4.549 -6.797 47.862 -99.200 -91.000 HIS 160 0.900 1.329 0.143 54.277 -99.200 -91.000 TYR 176 0.840 1.874 21.583 37.702 -99.200 -91.000 TRP 202 1.040 -2.814 -17.543 48.538 -99.200 -91.000 TRP6 202 1.020 -3.202 -15.681 49.946 -99.200 -91.000 PHE 224 1.000 -14.213 4.500 36.685 -99.200 -91.000 TYR 232 0.840 -14.530 16.495 41.418 -99.200 -91.000 HIS 248 0.900 -13.174 -13.732 60.818 -99.200 -91.000