============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 24 0.840 30.327 23.440 45.441 -99.200 -91.000 TYR 32 0.840 34.179 49.868 37.423 -99.200 -91.000 PHE 46 1.000 25.151 38.757 42.215 -99.200 -91.000 PHE 50 1.000 23.114 34.847 44.836 -99.200 -91.000 PHE 58 1.000 33.126 49.020 41.344 -99.200 -91.000 PHE 75 1.000 34.048 51.150 50.749 -99.200 -91.000 HIS 85 0.900 45.254 49.167 38.955 -99.200 -91.000 PHE 87 1.000 52.639 52.157 37.881 -99.200 -91.000 PHE 108 1.000 40.560 42.410 49.763 -99.200 -91.000 HIS 115 0.900 47.724 42.465 32.610 -99.200 -91.000 PHE 121 1.000 55.173 50.747 30.965 -99.200 -91.000 TYR 141 0.840 48.937 44.185 51.150 -99.200 -91.000 PHE 163 1.000 41.764 37.361 52.821 -99.200 -91.000 PHE 182 1.000 54.357 30.822 47.411 -99.200 -91.000 TYR 193 0.840 32.712 34.191 33.989 -99.200 -91.000