============================================================================= 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 55.062 1.873 103.357 -99.200 -91.000 PHE 39 1.000 59.193 -2.059 96.120 -99.200 -91.000 HIS 40 0.900 64.876 -2.388 95.082 -99.200 -91.000 PHE 48 1.000 56.476 -6.874 94.333 -99.200 -91.000 PHE 53 1.000 50.153 -3.348 105.009 -99.200 -91.000 PHE 73 1.000 53.936 -5.594 108.062 -99.200 -91.000 HIS 74 0.900 61.957 -6.831 107.591 -99.200 -91.000 PHE 76 1.000 54.222 -13.287 108.766 -99.200 -91.000 HIS 80 0.900 54.585 -14.807 93.227 -99.200 -91.000 HIS 107 0.900 47.145 -24.935 101.716 -99.200 -91.000 HIS 115 0.900 40.123 2.886 92.994 -99.200 -91.000 TYR 116 0.840 39.364 -0.702 98.197 -99.200 -91.000