============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 -18.617 34.416 5.598 -99.200 -91.000 TRP 14 1.040 -5.904 36.107 -7.798 -99.200 -91.000 TRP6 14 1.020 -7.152 37.829 -8.829 -99.200 -91.000 PHE 15 1.000 -7.545 31.131 -1.882 -99.200 -91.000 TYR 19 0.840 -8.646 21.372 0.274 -99.200 -91.000 HIS 22 0.900 -3.495 14.272 7.369 -99.200 -91.000 TYR 28 0.840 -7.183 25.558 3.037 -99.200 -91.000 TRP 39 1.040 4.993 27.086 -13.335 -99.200 -91.000 TRP6 39 1.020 6.382 25.759 -11.946 -99.200 -91.000 HIS 45 0.900 3.907 29.487 6.907 -99.200 -91.000 PHE 47 1.000 2.976 23.951 0.203 -99.200 -91.000 TYR 50 0.840 3.388 16.341 7.172 -99.200 -91.000 TYR 56 0.840 1.633 19.173 0.146 -99.200 -91.000 TYR 59 0.840 -9.885 20.130 -4.908 -99.200 -91.000 PHE 75 1.000 -5.343 22.048 -11.971 -99.200 -91.000 HIS 83 0.900 14.278 31.433 -1.449 -99.200 -91.000 TYR 86 0.840 10.907 28.462 5.897 -99.200 -91.000 HIS 93 0.900 7.256 31.158 9.501 -99.200 -91.000 HIS 94 0.900 14.400 36.276 7.989 -99.200 -91.000 TYR 125 0.840 14.393 45.034 -5.628 -99.200 -91.000 PHE 130 1.000 5.861 51.237 2.661 -99.200 -91.000 PHE 139 1.000 -11.758 28.355 1.353 -99.200 -91.000 TYR 147 0.840 -10.877 22.089 16.803 -99.200 -91.000 TYR 149 0.840 -8.431 26.570 9.374 -99.200 -91.000 HIS 163 0.900 11.983 47.557 7.152 -99.200 -91.000 HIS 170 0.900 4.898 50.718 21.708 -99.200 -91.000 TYR 171 0.840 3.466 49.093 14.507 -99.200 -91.000 TYR 172 0.840 4.910 41.918 13.790 -99.200 -91.000 TRP 188 1.040 -4.353 48.285 15.462 -99.200 -91.000 TRP6 188 1.020 -2.343 47.748 14.338 -99.200 -91.000 TRP 217 1.040 6.327 36.704 9.454 -99.200 -91.000 TRP6 217 1.020 6.692 38.205 11.242 -99.200 -91.000 TYR 230 0.840 0.080 40.246 4.265 -99.200 -91.000 HIS 235 0.900 12.010 43.934 -2.425 -99.200 -91.000 PHE 236 1.000 11.567 36.706 -1.729 -99.200 -91.000 TRP 239 1.040 13.394 31.197 -5.454 -99.200 -91.000 TRP6 239 1.020 11.151 30.491 -5.195 -99.200 -91.000 HIS 243 0.900 13.942 28.248 -8.041 -99.200 -91.000