============================================================================= 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 8 0.840 10.160 20.852 66.552 -99.200 -91.000 TYR 10 0.840 12.588 10.884 65.231 -99.200 -91.000 TRP 11 1.040 8.335 4.781 66.727 -99.200 -91.000 TRP6 11 1.020 7.881 4.239 64.478 -99.200 -91.000 TYR 16 0.840 7.338 3.366 56.690 -99.200 -91.000 TRP 23 1.040 6.132 23.787 60.454 -99.200 -91.000 TRP6 23 1.020 5.981 25.964 59.565 -99.200 -91.000 TRP 32 1.040 0.654 20.511 72.857 -99.200 -91.000 TRP6 32 1.020 2.437 22.018 72.559 -99.200 -91.000 TYR 36 0.840 -2.420 10.554 70.482 -99.200 -91.000 TRP 47 1.040 0.538 8.696 60.574 -99.200 -91.000 TRP6 47 1.020 0.477 11.040 60.852 -99.200 -91.000 TRP 51 1.040 -5.357 19.283 64.208 -99.200 -91.000 TRP6 51 1.020 -6.232 21.319 63.374 -99.200 -91.000 TRP 53 1.040 -2.607 23.936 66.281 -99.200 -91.000 TRP6 53 1.020 -1.054 24.308 68.015 -99.200 -91.000 TYR 63 0.840 3.643 17.961 56.583 -99.200 -91.000 TYR 65 0.840 7.789 14.828 59.359 -99.200 -91.000 TRP 88 1.040 -6.243 11.181 53.800 -99.200 -91.000 TRP6 88 1.020 -7.794 12.917 54.175 -99.200 -91.000 TYR 90 0.840 -8.002 16.471 59.470 -99.200 -91.000 TYR 101 0.840 1.976 11.161 49.808 -99.200 -91.000 PHE 104 1.000 10.959 20.547 52.722 -99.200 -91.000 HIS 111 0.900 18.481 22.470 52.940 -99.200 -91.000 TRP 114 1.040 16.160 23.475 58.529 -99.200 -91.000 TRP6 114 1.020 16.631 24.904 56.696 -99.200 -91.000 TYR 118 0.840 14.154 23.386 42.530 -99.200 -91.000 TRP 123 1.040 -1.256 21.017 49.259 -99.200 -91.000 TRP6 123 1.020 -2.360 22.847 50.229 -99.200 -91.000 TYR 127 0.840 -10.679 18.914 54.819 -99.200 -91.000 TYR 131 0.840 -6.448 31.132 48.657 -99.200 -91.000 PHE 136 1.000 -4.395 27.033 37.494 -99.200 -91.000 HIS 137 0.900 2.765 26.605 35.539 -99.200 -91.000 TRP 147 1.040 -2.891 15.554 40.406 -99.200 -91.000 TRP6 147 1.020 -3.291 15.078 42.685 -99.200 -91.000 TRP 150 1.040 -2.766 26.356 43.218 -99.200 -91.000 TRP6 150 1.020 -3.514 28.440 44.048 -99.200 -91.000 TYR 153 0.840 10.837 31.154 43.606 -99.200 -91.000 TYR 160 0.840 7.833 23.478 40.654 -99.200 -91.000 PHE 162 1.000 2.326 18.433 40.967 -99.200 -91.000 PHE 172 1.000 -2.595 10.228 45.558 -99.200 -91.000 PHE 179 1.000 2.029 13.600 41.348 -99.200 -91.000 PHE 180 1.000 10.605 14.972 42.910 -99.200 -91.000 TYR 182 0.840 3.808 18.521 34.963 -99.200 -91.000 HIS 187 0.900 6.094 23.030 35.530 -99.200 -91.000 TYR 189 0.840 13.216 18.963 40.485 -99.200 -91.000 TYR 199 0.840 8.816 8.733 49.653 -99.200 -91.000 PHE 206 1.000 -2.624 26.592 56.984 -99.200 -91.000 PHE 213 1.000 -4.082 12.619 58.757 -99.200 -91.000 PHE 218 1.000 3.487 7.080 54.330 -99.200 -91.000 TRP 223 1.040 11.583 -0.237 44.643 -99.200 -91.000 TRP6 223 1.020 9.633 -0.559 43.345 -99.200 -91.000