============================================================================= 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 28 1.000 30.124 4.005 7.204 -99.200 -91.000 TYR 30 0.840 36.234 3.378 15.986 -99.200 -91.000 PHE 37 1.000 19.962 6.643 18.931 -99.200 -91.000 TYR 49 0.840 15.561 -2.069 15.852 -99.200 -91.000 TYR 51 0.840 13.045 7.718 10.421 -99.200 -91.000 TYR 52 0.840 15.606 8.211 14.616 -99.200 -91.000 HIS 53 0.900 20.235 2.567 9.930 -99.200 -91.000 TYR 55 0.840 26.247 5.963 9.914 -99.200 -91.000 TYR 80 0.840 17.920 14.095 14.093 -99.200 -91.000 TYR 81 0.840 28.302 16.551 17.127 -99.200 -91.000 HIS 85 0.900 27.822 6.729 24.930 -99.200 -91.000 TYR 86 0.840 24.868 7.052 21.339 -99.200 -91.000 PHE 89 1.000 20.828 12.192 19.647 -99.200 -91.000