============================================================================= 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 6 1.000 34.325 25.059 70.087 -99.200 -91.000 TYR 7 0.840 29.605 20.170 66.949 -99.200 -91.000 PHE 14 1.000 30.910 26.166 64.918 -99.200 -91.000 TYR 15 0.840 39.674 25.812 64.208 -99.200 -91.000 PHE 25 1.000 50.498 28.559 65.786 -99.200 -91.000 HIS 41 0.900 37.893 49.049 62.225 -99.200 -91.000 PHE 52 1.000 47.997 39.274 62.882 -99.200 -91.000 TYR 64 0.840 34.200 51.930 52.520 -99.200 -91.000 PHE 79 1.000 37.920 48.455 54.237 -99.200 -91.000 HIS 85 0.900 48.701 36.022 49.216 -99.200 -91.000 TYR 109 0.840 26.717 34.799 60.185 -99.200 -91.000 PHE 129 1.000 27.004 45.851 67.004 -99.200 -91.000 PHE 152 1.000 37.614 34.930 65.682 -99.200 -91.000 TYR 154 0.840 38.638 36.874 70.985 -99.200 -91.000 PHE 165 1.000 22.608 25.925 67.555 -99.200 -91.000 PHE 166 1.000 26.583 22.946 66.360 -99.200 -91.000