============================================================================= 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 11 1.000 13.361 -11.481 67.729 -99.200 -91.000 PHE 23 1.000 22.022 -19.389 51.128 -99.200 -91.000 PHE 29 1.000 26.999 -27.621 48.095 -99.200 -91.000 HIS 51 0.900 25.280 -2.622 53.926 -99.200 -91.000 HIS 52 0.900 19.081 -3.942 51.285 -99.200 -91.000 PHE 53 1.000 16.238 -5.929 57.878 -99.200 -91.000 HIS 75 0.900 23.671 -13.826 69.765 -99.200 -91.000 HIS 79 0.900 24.447 -14.873 65.411 -99.200 -91.000 PHE 92 1.000 39.014 -22.535 55.737 -99.200 -91.000 TYR 96 0.840 39.078 -27.960 50.929 -99.200 -91.000