============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 10 1.000 -7.922 63.214 65.363 -99.200 -91.000 PHE 12 1.000 -18.549 63.458 65.199 -99.200 -91.000 PHE 15 1.000 -18.189 70.526 66.064 -99.200 -91.000 HIS 21 0.900 -10.123 77.494 71.760 -99.200 -91.000 HIS 22 0.900 -11.761 78.346 65.734 -99.200 -91.000 PHE 28 1.000 -14.235 71.853 54.682 -99.200 -91.000 TYR 29 0.840 -12.573 69.163 61.979 -99.200 -91.000 TYR 42 0.840 1.726 55.570 66.629 -99.200 -91.000 PHE 59 1.000 -2.419 56.995 64.388 -99.200 -91.000 PHE 65 1.000 -1.992 53.121 61.832 -99.200 -91.000 HIS 80 0.900 1.320 53.803 59.796 -99.200 -91.000 TYR 97 0.840 -12.980 61.099 44.104 -99.200 -91.000 PHE 99 1.000 -10.682 63.785 48.474 -99.200 -91.000 TYR 106 0.840 8.926 71.630 53.861 -99.200 -91.000 TYR 111 0.840 17.400 68.956 64.667 -99.200 -91.000 TYR 117 0.840 10.614 58.999 60.063 -99.200 -91.000 TYR 125 0.840 1.919 57.899 55.808 -99.200 -91.000 PHE 134 1.000 12.431 75.172 59.348 -99.200 -91.000 TRP 148 1.040 5.648 70.918 48.178 -99.200 -91.000 TRP6 148 1.020 4.419 69.878 49.883 -99.200 -91.000 PHE 180 1.000 -14.592 66.441 47.769 -99.200 -91.000 TRP 184 1.040 -23.802 67.913 44.467 -99.200 -91.000 TRP6 184 1.020 -23.533 67.231 46.710 -99.200 -91.000 PHE 188 1.000 -28.419 70.453 44.529 -99.200 -91.000 PHE 198 1.000 -27.503 79.910 55.992 -99.200 -91.000 TYR 212 0.840 -36.495 73.202 44.238 -99.200 -91.000 PHE 217 1.000 -31.194 63.497 46.762 -99.200 -91.000 PHE 234 1.000 -19.692 64.597 47.301 -99.200 -91.000 PHE 261 1.000 -18.519 54.846 65.852 -99.200 -91.000 TRP 267 1.040 -29.157 60.918 65.537 -99.200 -91.000 TRP6 267 1.020 -27.666 62.736 65.852 -99.200 -91.000 TYR 280 0.840 -35.930 75.030 48.526 -99.200 -91.000 TYR 290 0.840 -9.727 75.060 61.990 -99.200 -91.000 PHE 305 1.000 2.309 69.575 69.174 -99.200 -91.000 HIS 327 0.900 -6.481 69.942 58.132 -99.200 -91.000 HIS 330 0.900 -10.965 76.173 48.644 -99.200 -91.000 PHE 356 1.000 -31.913 68.572 54.938 -99.200 -91.000 HIS 360 0.900 -32.592 76.380 59.694 -99.200 -91.000 PHE 362 1.000 -25.680 73.625 56.062 -99.200 -91.000 PHE 364 1.000 -20.157 70.959 55.642 -99.200 -91.000 HIS 368 0.900 -13.909 55.033 51.866 -99.200 -91.000 PHE 376 1.000 -12.796 67.063 52.896 -99.200 -91.000 PHE 377 1.000 -18.635 67.545 62.006 -99.200 -91.000