============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 -8.127 33.282 -2.432 -99.200 -91.000 TYR 15 0.840 -9.567 26.140 15.302 -99.200 -91.000 TYR 19 0.840 -5.093 22.323 0.824 -99.200 -91.000 HIS 53 0.900 2.928 43.657 16.871 -99.200 -91.000 HIS 64 0.900 -20.404 31.393 6.465 -99.200 -91.000 TYR 70 0.840 -13.470 27.822 1.969 -99.200 -91.000 PHE 73 1.000 -5.212 33.327 9.039 -99.200 -91.000 PHE 75 1.000 3.721 30.381 2.037 -99.200 -91.000 HIS 77 0.900 8.318 31.466 1.523 -99.200 -91.000 PHE 83 1.000 15.063 28.054 12.591 -99.200 -91.000 TYR 100 0.840 13.154 33.242 15.491 -99.200 -91.000 PHE 102 1.000 12.472 42.993 22.189 -99.200 -91.000 PHE 110 1.000 -1.833 44.935 18.156 -99.200 -91.000 HIS 112 0.900 -1.481 38.590 26.158 -99.200 -91.000 HIS 114 0.900 -5.915 46.390 20.164 -99.200 -91.000 HIS 118 0.900 -2.572 31.339 19.702 -99.200 -91.000 PHE 139 1.000 -2.605 36.172 19.907 -99.200 -91.000 PHE 145 1.000 -13.269 29.537 14.043 -99.200 -91.000 TYR 152 0.840 -8.490 18.930 9.422 -99.200 -91.000 HIS 154 0.900 -11.255 12.203 13.124 -99.200 -91.000 TRP 160 1.040 3.493 17.768 24.692 -99.200 -91.000 TRP6 160 1.020 5.113 17.403 23.029 -99.200 -91.000 TYR 161 0.840 4.114 23.580 23.441 -99.200 -91.000 TYR 171 0.840 -15.592 32.724 33.905 -99.200 -91.000 TYR 172 0.840 -8.827 29.835 29.561 -99.200 -91.000 TRP 179 1.040 2.404 27.159 31.328 -99.200 -91.000 TRP6 179 1.020 3.149 26.941 33.563 -99.200 -91.000 PHE 185 1.000 13.548 31.951 27.208 -99.200 -91.000 PHE 195 1.000 6.658 22.027 32.500 -99.200 -91.000 PHE 205 1.000 -0.377 13.953 39.051 -99.200 -91.000 PHE 208 1.000 0.580 19.723 39.980 -99.200 -91.000 TRP 219 1.040 -2.538 29.577 41.765 -99.200 -91.000 TRP6 219 1.020 -2.477 27.984 40.007 -99.200 -91.000 TYR 228 0.840 -5.440 21.119 45.061 -99.200 -91.000 PHE 232 1.000 -3.989 17.459 41.706 -99.200 -91.000 TRP 235 1.040 6.311 14.529 42.424 -99.200 -91.000 TRP6 235 1.020 4.219 14.329 41.358 -99.200 -91.000 PHE 240 1.000 12.546 27.807 36.325 -99.200 -91.000 HIS 260 0.900 6.850 33.703 39.444 -99.200 -91.000 TYR 261 0.840 2.903 25.698 39.960 -99.200 -91.000 HIS 275 0.900 14.338 39.412 32.917 -99.200 -91.000 PHE 277 1.000 17.050 36.103 27.649 -99.200 -91.000 PHE 278 1.000 13.514 39.701 25.910 -99.200 -91.000 HIS 287 0.900 21.329 28.495 5.694 -99.200 -91.000