============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 14 0.840 24.516 29.087 3.742 -99.200 -91.000 HIS 40 0.900 28.215 32.516 6.038 -99.200 -91.000 TYR 45 0.840 26.471 31.793 -3.094 -99.200 -91.000 TYR 49 0.840 29.827 32.475 -8.070 -99.200 -91.000 HIS 52 0.900 30.838 34.105 -13.385 -99.200 -91.000 HIS 55 0.900 29.353 41.010 -8.427 -99.200 -91.000 HIS 69 0.900 6.350 35.605 1.088 -99.200 -91.000