============================================================================= 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 8 1.000 116.300 74.873 50.607 -99.200 -91.000 PHE 15 1.000 110.577 73.913 40.874 -99.200 -91.000 PHE 21 1.000 112.376 76.228 28.920 -99.200 -91.000 PHE 31 1.000 109.894 80.878 53.417 -99.200 -91.000 PHE 41 1.000 111.434 83.188 38.259 -99.200 -91.000 TYR 55 0.840 112.087 91.946 29.759 -99.200 -91.000 PHE 71 1.000 106.946 69.062 45.888 -99.200 -91.000 PHE 73 1.000 97.865 69.279 44.971 -99.200 -91.000 HIS 94 0.900 91.924 83.749 35.011 -99.200 -91.000 TYR 97 0.840 101.486 90.537 32.115 -99.200 -91.000 PHE 106 1.000 111.662 88.142 36.243 -99.200 -91.000 TYR 111 0.840 101.779 85.631 49.342 -99.200 -91.000 TYR 140 0.840 100.737 74.421 38.515 -99.200 -91.000