============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 2 1.000 38.693 28.300 16.114 -99.200 -91.000 TYR 14 0.840 23.832 13.391 17.159 -99.200 -91.000 HIS 24 0.900 18.008 8.787 35.792 -99.200 -91.000 PHE 27 1.000 22.493 8.813 29.847 -99.200 -91.000 HIS 34 0.900 29.621 8.193 23.017 -99.200 -91.000 PHE 35 1.000 34.705 15.715 26.096 -99.200 -91.000 HIS 45 0.900 36.495 22.564 15.615 -99.200 -91.000 TYR 47 0.840 30.084 14.046 22.030 -99.200 -91.000 HIS 60 0.900 8.135 31.525 27.795 -99.200 -91.000 TYR 63 0.840 6.157 21.224 28.668 -99.200 -91.000 TRP 76 1.040 30.362 22.944 16.880 -99.200 -91.000 TRP6 76 1.020 29.560 22.092 18.956 -99.200 -91.000 PHE 77 1.000 30.705 15.982 12.180 -99.200 -91.000 TYR 83 0.840 28.858 13.915 8.111 -99.200 -91.000 TYR 86 0.840 31.634 11.537 12.757 -99.200 -91.000 TRP 95 1.040 32.289 8.478 20.322 -99.200 -91.000 TRP6 95 1.020 31.308 10.232 19.049 -99.200 -91.000 PHE 96 1.000 28.101 6.918 15.435 -99.200 -91.000 HIS 98 0.900 30.535 4.469 25.636 -99.200 -91.000 TYR 101 0.840 26.950 -0.576 28.440 -99.200 -91.000 PHE 102 1.000 26.371 6.920 26.170 -99.200 -91.000 PHE 109 1.000 16.112 17.882 16.871 -99.200 -91.000