============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 3 0.840 24.784 34.453 52.719 -99.200 -91.000 PHE 7 1.000 18.263 35.184 37.587 -99.200 -91.000 TYR 18 0.840 23.444 38.477 30.699 -99.200 -91.000 PHE 24 1.000 17.917 39.413 41.660 -99.200 -91.000 TYR 41 0.840 26.670 29.857 36.326 -99.200 -91.000 PHE 63 1.000 18.577 34.566 43.337 -99.200 -91.000 PHE 65 1.000 14.805 36.050 34.333 -99.200 -91.000 PHE 71 1.000 5.933 27.661 37.711 -99.200 -91.000 PHE 74 1.000 6.333 21.382 37.669 -99.200 -91.000 TYR 75 0.840 0.950 22.716 40.440 -99.200 -91.000 PHE 81 1.000 -1.131 32.606 34.885 -99.200 -91.000 TYR 85 0.840 -6.925 36.879 20.438 -99.200 -91.000 TYR 90 0.840 3.048 42.926 33.116 -99.200 -91.000 PHE 98 1.000 2.155 38.664 41.843 -99.200 -91.000 PHE 102 1.000 -4.918 29.745 38.110 -99.200 -91.000 TYR 123 0.840 4.784 43.246 28.102 -99.200 -91.000 TYR 157 0.840 -2.974 33.613 16.598 -99.200 -91.000 TYR 160 0.840 -10.001 25.935 17.829 -99.200 -91.000 PHE 170 1.000 13.107 31.047 15.584 -99.200 -91.000 TYR 174 0.840 15.823 35.908 6.223 -99.200 -91.000 PHE 197 1.000 11.625 35.412 11.363 -99.200 -91.000 TYR 198 0.840 14.546 43.921 10.081 -99.200 -91.000 PHE 203 1.000 1.610 43.762 3.715 -99.200 -91.000 HIS 209 0.900 -0.615 35.810 18.551 -99.200 -91.000 TYR 216 0.840 13.274 39.232 37.733 -99.200 -91.000 TYR 223 0.840 13.432 34.817 49.993 -99.200 -91.000 TYR 244 0.840 16.477 47.992 33.352 -99.200 -91.000 HIS 245 0.900 12.396 40.802 32.652 -99.200 -91.000 PHE 249 1.000 10.957 41.700 27.095 -99.200 -91.000 PHE 259 1.000 15.085 48.428 12.771 -99.200 -91.000 PHE 260 1.000 10.142 45.115 13.744 -99.200 -91.000 HIS 269 0.900 -2.502 49.782 14.659 -99.200 -91.000 PHE 275 1.000 -7.848 38.263 14.527 -99.200 -91.000 TYR 282 0.840 -6.629 25.500 22.703 -99.200 -91.000 TYR 283 0.840 -11.023 30.871 25.216 -99.200 -91.000 PHE 286 1.000 -7.591 25.635 30.515 -99.200 -91.000