============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 13 1.000 31.229 12.410 49.900 -99.200 -91.000 HIS 14 0.900 29.043 5.375 45.520 -99.200 -91.000 PHE 15 1.000 25.773 2.643 53.530 -99.200 -91.000 PHE 20 1.000 17.694 -6.381 55.606 -99.200 -91.000 TRP 24 1.040 17.522 2.014 57.894 -99.200 -91.000 TRP6 24 1.020 15.289 2.479 57.278 -99.200 -91.000 PHE 28 1.000 21.970 9.882 63.995 -99.200 -91.000 TYR 30 0.840 30.577 2.963 62.239 -99.200 -91.000 HIS 33 0.900 29.046 5.806 69.824 -99.200 -91.000 PHE 41 1.000 24.928 13.432 71.373 -99.200 -91.000 PHE 49 1.000 16.896 13.175 69.829 -99.200 -91.000 TYR 57 0.840 11.500 11.759 60.428 -99.200 -91.000 TYR 62 0.840 12.234 11.988 49.218 -99.200 -91.000 HIS 63 0.900 9.531 15.025 51.783 -99.200 -91.000 TRP 65 1.040 13.655 5.667 61.093 -99.200 -91.000 TRP6 65 1.020 14.790 7.308 62.352 -99.200 -91.000 HIS 67 0.900 14.521 12.944 53.071 -99.200 -91.000 HIS 73 0.900 26.068 7.980 54.009 -99.200 -91.000 TYR 76 0.840 30.107 8.930 58.872 -99.200 -91.000 PHE 86 1.000 31.614 22.602 58.898 -99.200 -91.000 HIS 101 0.900 15.895 16.464 56.793 -99.200 -91.000 HIS 105 0.900 7.060 16.552 54.482 -99.200 -91.000 PHE 108 1.000 -0.618 16.040 51.434 -99.200 -91.000 TYR 112 0.840 -2.709 20.158 50.034 -99.200 -91.000 PHE 116 1.000 -6.886 21.327 53.922 -99.200 -91.000 HIS 118 0.900 -2.319 21.682 58.715 -99.200 -91.000 TYR 124 0.840 5.336 26.769 63.308 -99.200 -91.000 HIS 132 0.900 4.786 20.319 63.141 -99.200 -91.000 HIS 133 0.900 9.696 19.105 58.988 -99.200 -91.000 PHE 134 1.000 14.308 24.653 66.651 -99.200 -91.000 HIS 146 0.900 12.669 10.710 75.023 -99.200 -91.000 PHE 149 1.000 22.118 18.301 71.654 -99.200 -91.000 TYR 157 0.840 19.166 22.658 75.528 -99.200 -91.000 TYR 176 0.840 20.018 25.744 46.017 -99.200 -91.000 PHE 177 1.000 15.858 27.600 43.802 -99.200 -91.000 TYR 187 0.840 35.194 29.488 44.716 -99.200 -91.000 HIS 195 0.900 38.563 31.392 60.136 -99.200 -91.000 HIS 199 0.900 30.960 35.736 54.695 -99.200 -91.000 TRP 220 1.040 19.892 5.037 35.838 -99.200 -91.000 TRP6 220 1.020 18.630 7.051 35.738 -99.200 -91.000 TYR 231 0.840 8.580 12.552 39.535 -99.200 -91.000 PHE 234 1.000 7.585 16.360 44.263 -99.200 -91.000 TRP 235 1.040 3.030 12.438 39.812 -99.200 -91.000 TRP6 235 1.020 3.916 10.406 38.986 -99.200 -91.000 PHE 267 1.000 15.969 18.911 41.699 -99.200 -91.000 TYR 268 0.840 19.608 15.412 38.086 -99.200 -91.000 TYR 276 0.840 24.675 17.813 45.238 -99.200 -91.000 TRP 300 1.040 17.150 11.876 35.468 -99.200 -91.000 TRP6 300 1.020 15.141 10.636 35.402 -99.200 -91.000