============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 2 0.900 18.297 69.015 17.752 -99.200 -91.000 HIS 6 0.900 11.938 56.662 15.300 -99.200 -91.000 PHE 14 1.000 10.713 39.170 22.960 -99.200 -91.000 PHE 15 1.000 12.458 47.318 29.993 -99.200 -91.000 PHE 25 1.000 18.672 40.843 17.481 -99.200 -91.000 PHE 34 1.000 12.273 52.480 13.408 -99.200 -91.000 TYR 45 0.840 2.967 49.095 27.030 -99.200 -91.000 TYR 48 0.840 3.973 52.425 31.463 -99.200 -91.000 TYR 59 0.840 24.488 47.219 10.335 -99.200 -91.000 TYR 63 0.840 21.794 38.982 4.385 -99.200 -91.000 TYR 69 0.840 8.071 42.896 9.229 -99.200 -91.000 HIS 77 0.900 22.193 56.079 24.396 -99.200 -91.000