============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 24 0.840 -40.359 26.912 -10.986 -99.200 -91.000 TYR 27 0.840 -39.412 35.618 -9.898 -99.200 -91.000 TYR 28 0.840 -36.221 28.070 -12.796 -99.200 -91.000 TYR 29 0.840 -36.665 32.387 -4.961 -99.200 -91.000 PHE 40 1.000 -30.991 28.333 2.247 -99.200 -91.000 TYR 42 0.840 -29.864 35.034 1.673 -99.200 -91.000 TYR 46 0.840 -24.718 47.440 -7.419 -99.200 -91.000 TRP 55 1.040 -29.407 35.971 -7.984 -99.200 -91.000 TRP6 55 1.020 -27.837 37.733 -7.851 -99.200 -91.000 PHE 62 1.000 -29.075 31.678 -11.923 -99.200 -91.000 PHE 63 1.000 -25.219 31.233 -19.419 -99.200 -91.000 TYR 66 0.840 -26.877 42.730 -9.991 -99.200 -91.000 HIS 74 0.900 -26.071 28.693 -4.744 -99.200 -91.000 TYR 75 0.840 -19.014 25.161 -9.069 -99.200 -91.000 TYR 76 0.840 -15.363 29.231 -7.161 -99.200 -91.000 TYR 81 0.840 -21.845 20.264 2.754 -99.200 -91.000 TYR 83 0.840 -10.653 20.718 2.293 -99.200 -91.000 TYR 84 0.840 -13.660 22.909 6.018 -99.200 -91.000 HIS 88 0.900 -10.012 18.062 6.747 -99.200 -91.000 TYR 93 0.840 -21.696 27.717 9.328 -99.200 -91.000 HIS 105 0.900 -23.765 42.260 -7.556 -99.200 -91.000 TYR 106 0.840 -21.304 44.830 2.756 -99.200 -91.000 TYR 110 0.840 -16.595 46.120 1.691 -99.200 -91.000 PHE 114 1.000 -18.109 41.835 5.818 -99.200 -91.000 TRP 115 1.040 -18.286 34.058 9.917 -99.200 -91.000 TRP6 115 1.020 -19.953 32.689 8.938 -99.200 -91.000 TYR 122 0.840 -18.076 36.017 -0.879 -99.200 -91.000 PHE 130 1.000 -9.096 42.517 -3.565 -99.200 -91.000 HIS 142 0.900 -9.129 34.234 4.714 -99.200 -91.000 HIS 146 0.900 -11.764 34.359 9.148 -99.200 -91.000 TYR 151 0.840 -20.909 27.552 14.687 -99.200 -91.000 TYR 157 0.840 -9.925 38.535 12.823 -99.200 -91.000 PHE 172 1.000 -7.808 23.604 7.260 -99.200 -91.000 PHE 178 1.000 -2.292 23.360 -4.192 -99.200 -91.000 TYR 179 0.840 -12.250 18.593 -2.686 -99.200 -91.000 TRP 186 1.040 1.353 25.946 -1.713 -99.200 -91.000 TRP6 186 1.020 0.648 25.059 0.335 -99.200 -91.000 TYR 193 0.840 -4.075 42.525 -5.090 -99.200 -91.000 TYR 211 0.840 2.273 39.965 -2.481 -99.200 -91.000 HIS 216 0.900 12.814 33.902 12.717 -99.200 -91.000 TYR 217 0.840 7.219 34.914 18.175 -99.200 -91.000 TYR 221 0.840 1.928 45.873 13.550 -99.200 -91.000 HIS 231 0.900 -6.516 40.506 7.965 -99.200 -91.000 TYR 242 0.840 5.728 26.854 0.432 -99.200 -91.000 HIS 250 0.900 11.853 31.014 6.067 -99.200 -91.000 TYR 251 0.840 14.784 34.121 7.916 -99.200 -91.000 PHE 267 1.000 -1.151 23.788 10.739 -99.200 -91.000 TYR 268 0.840 -11.235 19.124 10.716 -99.200 -91.000 TYR 274 0.840 -4.682 17.887 20.631 -99.200 -91.000 PHE 281 1.000 2.051 33.462 15.749 -99.200 -91.000 TYR 296 0.840 0.243 11.510 10.041 -99.200 -91.000 PHE 310 1.000 4.416 25.486 14.062 -99.200 -91.000