============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 9 0.840 46.410 50.636 -12.100 -99.200 -91.000 PHE 27 1.000 45.965 45.365 9.529 -99.200 -91.000 HIS 33 0.900 54.406 53.671 5.497 -99.200 -91.000 PHE 39 1.000 48.798 60.584 7.176 -99.200 -91.000 HIS 54 0.900 48.069 41.007 10.839 -99.200 -91.000 PHE 57 1.000 54.738 40.333 4.814 -99.200 -91.000 HIS 62 0.900 51.163 32.392 10.820 -99.200 -91.000 PHE 66 1.000 46.810 38.578 21.267 -99.200 -91.000 TYR 67 0.840 42.445 43.081 12.232 -99.200 -91.000 TYR 68 0.840 41.786 38.504 10.522 -99.200 -91.000 HIS 79 0.900 40.389 55.209 11.986 -99.200 -91.000 PHE 81 1.000 39.845 46.518 19.901 -99.200 -91.000 PHE 85 1.000 48.573 49.471 13.616 -99.200 -91.000 TYR 102 0.840 49.304 41.612 21.188 -99.200 -91.000 PHE 106 1.000 41.140 41.556 22.114 -99.200 -91.000 TYR 115 0.840 43.964 31.884 29.027 -99.200 -91.000 PHE 117 1.000 37.936 34.859 21.381 -99.200 -91.000 PHE 146 1.000 45.207 52.052 1.434 -99.200 -91.000 TYR 152 0.840 42.406 46.890 -11.330 -99.200 -91.000 HIS 159 0.900 49.293 56.555 -5.590 -99.200 -91.000 TYR 171 0.840 41.879 55.131 -13.710 -99.200 -91.000