============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 15 1.000 8.038 6.102 10.017 -99.200 -91.000 HIS 16 0.900 3.594 9.894 8.113 -99.200 -91.000 TYR 18 0.840 1.401 1.577 15.548 -99.200 -91.000 HIS 26 0.900 8.948 12.282 9.154 -99.200 -91.000 HIS 43 0.900 -3.599 -11.692 11.348 -99.200 -91.000 PHE 44 1.000 1.684 -11.258 6.803 -99.200 -91.000 PHE 71 1.000 9.025 6.176 4.500 -99.200 -91.000 PHE 74 1.000 7.318 0.918 8.729 -99.200 -91.000 PHE 77 1.000 10.068 -4.540 10.762 -99.200 -91.000 HIS 86 0.900 8.550 -13.984 -3.129 -99.200 -91.000 PHE 88 1.000 6.780 -20.022 6.747 -99.200 -91.000 PHE 89 1.000 2.467 -18.723 2.853 -99.200 -91.000 HIS 91 0.900 8.466 -26.594 -4.871 -99.200 -91.000