============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 21 0.900 38.354 20.455 6.222 -99.200 -91.000 PHE 28 1.000 39.854 27.403 -5.802 -99.200 -91.000 TYR 30 0.840 36.137 19.391 -3.998 -99.200 -91.000 TYR 31 0.840 33.757 17.745 4.186 -99.200 -91.000 TYR 40 0.840 45.739 25.366 -7.204 -99.200 -91.000 TYR 44 0.840 49.687 25.588 -3.664 -99.200 -91.000 PHE 82 1.000 42.228 27.951 10.991 -99.200 -91.000 PHE 84 1.000 48.646 24.738 6.946 -99.200 -91.000 PHE 101 1.000 45.388 36.597 4.228 -99.200 -91.000 PHE 106 1.000 42.669 29.849 -9.513 -99.200 -91.000 PHE 123 1.000 27.703 41.862 -10.169 -99.200 -91.000 HIS 162 0.900 31.810 29.834 -0.832 -99.200 -91.000 PHE 166 1.000 23.976 25.352 -7.552 -99.200 -91.000 PHE 177 1.000 26.915 31.466 -4.615 -99.200 -91.000 TRP 197 1.040 22.407 25.950 -12.460 -99.200 -91.000 TRP6 197 1.020 20.634 27.288 -11.675 -99.200 -91.000 TYR 209 0.840 40.656 32.029 -3.951 -99.200 -91.000 PHE 220 1.000 53.220 27.146 10.107 -99.200 -91.000 TRP 240 1.040 50.000 19.900 -7.335 -99.200 -91.000 TRP6 240 1.020 50.531 20.994 -5.319 -99.200 -91.000 PHE 241 1.000 44.356 25.911 -13.895 -99.200 -91.000 TRP 244 1.040 43.070 19.408 -7.686 -99.200 -91.000 TRP6 244 1.020 41.469 17.949 -6.755 -99.200 -91.000 PHE 245 1.000 41.070 25.314 -10.789 -99.200 -91.000 PHE 258 1.000 37.146 28.304 -14.237 -99.200 -91.000 PHE 268 1.000 50.978 28.659 -10.647 -99.200 -91.000