============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 8 1.000 36.807 8.435 61.303 -99.200 -91.000 PHE 20 1.000 48.374 -2.240 55.688 -99.200 -91.000 PHE 26 1.000 51.112 -8.499 48.100 -99.200 -91.000 HIS 48 0.900 44.173 -4.783 70.326 -99.200 -91.000 HIS 49 0.900 45.361 5.283 71.934 -99.200 -91.000 PHE 50 1.000 42.138 5.536 68.591 -99.200 -91.000 HIS 72 0.900 29.419 -1.763 62.190 -99.200 -91.000 HIS 76 0.900 34.105 -2.433 60.919 -99.200 -91.000 PHE 89 1.000 42.620 -19.612 54.702 -99.200 -91.000 TYR 93 0.840 47.469 -20.244 49.761 -99.200 -91.000