============================================================================= 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. PHE 26 1.000 -9.354 33.024 48.162 -99.200 -91.000 PHE 39 1.000 -17.831 36.224 48.474 -99.200 -91.000 HIS 40 0.900 -21.323 36.316 53.081 -99.200 -91.000 PHE 48 1.000 -18.242 41.079 45.300 -99.200 -91.000 PHE 53 1.000 -5.833 37.888 45.043 -99.200 -91.000 PHE 73 1.000 -5.175 40.348 49.913 -99.200 -91.000 HIS 74 0.900 -9.786 41.558 56.702 -99.200 -91.000 PHE 76 1.000 -4.851 47.990 50.355 -99.200 -91.000 HIS 80 0.900 -18.449 49.076 43.191 -99.200 -91.000 HIS 107 0.900 -7.729 59.481 40.705 -99.200 -91.000 HIS 115 0.900 -11.227 31.605 30.162 -99.200 -91.000 TYR 116 0.840 -6.487 35.392 31.896 -99.200 -91.000