============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 4 1.000 35.852 46.765 16.718 -99.200 -91.000 TYR 9 0.840 18.413 49.237 13.676 -99.200 -91.000 TYR 11 0.840 12.812 46.197 13.309 -99.200 -91.000 HIS 13 0.900 6.565 42.241 15.627 -99.200 -91.000 HIS 27 0.900 22.478 38.178 6.278 -99.200 -91.000 HIS 28 0.900 22.020 43.058 -0.374 -99.200 -91.000 HIS 29 0.900 26.649 47.593 2.581 -99.200 -91.000 HIS 30 0.900 28.947 38.600 4.814 -99.200 -91.000 HIS 38 0.900 14.919 42.032 17.573 -99.200 -91.000 HIS 40 0.900 11.905 39.998 20.510 -99.200 -91.000 HIS 43 0.900 2.765 41.451 23.301 -99.200 -91.000 HIS 61 0.900 26.918 55.636 1.612 -99.200 -91.000 PHE 62 1.000 25.162 48.808 7.254 -99.200 -91.000 HIS 74 0.900 13.592 56.780 19.765 -99.200 -91.000 HIS 76 0.900 22.869 57.561 19.579 -99.200 -91.000