============================================================================= 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. HIS 16 0.900 15.853 -5.978 -20.111 -99.200 -91.000 HIS 22 0.900 14.288 3.833 -25.842 -99.200 -91.000 PHE 51 1.000 4.782 -2.370 -15.415 -99.200 -91.000 HIS 53 0.900 0.978 -4.538 -26.196 -99.200 -91.000 PHE 71 1.000 30.485 -9.879 6.929 -99.200 -91.000 HIS 80 0.900 23.317 -2.168 -3.199 -99.200 -91.000 TYR 90 0.840 3.487 1.858 -22.936 -99.200 -91.000 TYR 113 0.840 20.381 -1.181 6.463 -99.200 -91.000 PHE 126 1.000 10.081 7.943 -10.801 -99.200 -91.000 TYR 127 0.840 14.554 7.410 -8.802 -99.200 -91.000 PHE 132 1.000 13.789 5.213 -3.268 -99.200 -91.000 HIS 135 0.900 22.890 8.948 3.439 -99.200 -91.000