============================================================================= 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 4 1.000 2.195 1.262 41.295 -99.200 -91.000 PHE 13 1.000 15.964 -0.749 52.791 -99.200 -91.000 PHE 26 1.000 35.255 3.616 47.216 -99.200 -91.000 PHE 33 1.000 26.774 8.008 47.468 -99.200 -91.000 TYR 40 0.840 28.646 11.750 39.024 -99.200 -91.000 PHE 41 1.000 23.758 11.897 39.786 -99.200 -91.000 TYR 73 0.840 37.108 10.639 48.596 -99.200 -91.000 TYR 82 0.840 33.882 27.938 50.642 -99.200 -91.000 PHE 83 1.000 29.443 28.537 43.375 -99.200 -91.000 PHE 104 1.000 19.988 -5.777 43.390 -99.200 -91.000 TYR 123 0.840 3.566 -2.267 30.472 -99.200 -91.000 PHE 135 1.000 8.796 15.602 41.867 -99.200 -91.000