============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 2 1.000 1.076 -16.638 51.194 -99.200 -91.000 HIS 5 0.900 -1.534 -5.849 48.283 -99.200 -91.000 PHE 29 1.000 12.320 -23.449 47.780 -99.200 -91.000 PHE 53 1.000 15.615 -28.235 47.227 -99.200 -91.000 TYR 77 0.840 26.496 -20.288 47.997 -99.200 -91.000 PHE 78 1.000 19.822 -25.893 45.530 -99.200 -91.000 PHE 80 1.000 16.845 -21.895 48.916 -99.200 -91.000 PHE 86 1.000 13.224 -20.691 52.693 -99.200 -91.000 TYR 94 0.840 16.983 3.837 38.317 -99.200 -91.000 PHE 97 1.000 12.844 -7.442 41.474 -99.200 -91.000 PHE 100 1.000 21.348 -9.303 49.506 -99.200 -91.000 HIS 104 0.900 26.412 -16.086 53.279 -99.200 -91.000 PHE 107 1.000 18.757 -14.797 41.940 -99.200 -91.000 PHE 109 1.000 14.876 -11.587 36.468 -99.200 -91.000 TYR 110 0.840 21.250 -6.022 35.988 -99.200 -91.000 HIS 111 0.900 13.936 -3.995 38.728 -99.200 -91.000