============================================================================= 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. PHE 6 1.000 34.610 42.466 17.492 -99.200 -91.000 PHE 27 1.000 37.507 30.856 13.769 -99.200 -91.000 PHE 32 1.000 34.676 42.823 22.321 -99.200 -91.000 PHE 46 1.000 33.628 41.531 13.219 -99.200 -91.000 PHE 65 1.000 19.781 36.376 15.915 -99.200 -91.000 HIS 83 0.900 21.661 30.508 32.652 -99.200 -91.000 TYR 98 0.840 26.539 29.409 10.608 -99.200 -91.000 PHE 100 1.000 19.879 28.701 21.570 -99.200 -91.000 PHE 105 1.000 30.788 25.184 24.086 -99.200 -91.000 HIS 149 0.900 22.180 65.773 -8.771 -99.200 -91.000 HIS 150 0.900 20.701 62.927 -11.246 -99.200 -91.000 HIS 151 0.900 22.432 56.782 -6.184 -99.200 -91.000