============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 12.559 22.929 26.963 -99.200 -91.000 PHE 24 1.000 17.545 20.059 24.569 -99.200 -91.000 TRP 32 1.040 21.887 18.389 20.178 -99.200 -91.000 TRP6 32 1.020 23.608 19.681 21.160 -99.200 -91.000 PHE 35 1.000 23.541 20.776 32.155 -99.200 -91.000 HIS 47 0.900 19.299 34.997 37.368 -99.200 -91.000 PHE 55 1.000 27.903 25.175 32.021 -99.200 -91.000 TYR 60 0.840 26.983 22.229 28.588 -99.200 -91.000 TYR 69 0.840 7.777 36.844 24.147 -99.200 -91.000 TRP 70 1.040 8.155 36.497 18.687 -99.200 -91.000 TRP6 70 1.020 8.020 38.757 19.367 -99.200 -91.000 PHE 78 1.000 11.766 32.904 8.699 -99.200 -91.000 HIS 79 0.900 13.899 33.351 13.165 -99.200 -91.000 HIS 81 0.900 13.913 25.504 17.714 -99.200 -91.000 PHE 86 1.000 27.061 27.680 25.535 -99.200 -91.000 TYR 96 0.840 30.584 29.697 29.744 -99.200 -91.000 TYR 105 0.840 8.489 37.520 9.564 -99.200 -91.000 TYR 107 0.840 17.412 33.936 16.456 -99.200 -91.000