============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 -14.257 -15.690 -5.258 -99.200 -91.000 HIS 4 0.900 -23.043 -18.336 -10.461 -99.200 -91.000 TYR 24 0.840 -46.757 -1.204 4.316 -99.200 -91.000 TYR 26 0.840 -43.201 5.691 -4.085 -99.200 -91.000 HIS 49 0.900 -33.635 -12.465 -8.702 -99.200 -91.000 HIS 56 0.900 -42.067 -26.358 -8.397 -99.200 -91.000 HIS 63 0.900 -32.156 -30.287 -5.452 -99.200 -91.000 PHE 71 1.000 -21.718 -17.006 1.062 -99.200 -91.000 PHE 79 1.000 -41.849 -20.971 0.156 -99.200 -91.000 HIS 81 0.900 -41.011 -17.257 9.430 -99.200 -91.000 PHE 97 1.000 -28.415 -20.734 4.232 -99.200 -91.000 HIS 101 0.900 -36.168 -13.094 6.617 -99.200 -91.000 HIS 106 0.900 -35.980 -12.395 15.845 -99.200 -91.000 PHE 111 1.000 -46.763 -16.318 11.998 -99.200 -91.000 HIS 113 0.900 -39.526 -13.642 17.584 -99.200 -91.000 HIS 114 0.900 -39.327 -23.062 13.655 -99.200 -91.000 TYR 116 0.840 -38.550 -25.954 10.164 -99.200 -91.000 TYR 133 0.840 -32.142 -8.533 -1.068 -99.200 -91.000 PHE 135 1.000 -25.266 -2.969 4.649 -99.200 -91.000