============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 10 0.840 6.531 -5.016 79.531 -99.200 -91.000 TYR 16 0.840 12.130 -17.551 59.317 -99.200 -91.000 TYR 21 0.840 15.461 -21.297 61.072 -99.200 -91.000 TRP 23 1.040 14.315 -25.643 64.883 -99.200 -91.000 TRP6 23 1.020 14.694 -27.288 66.542 -99.200 -91.000 PHE 51 1.000 14.872 -18.436 76.390 -99.200 -91.000 TYR 58 0.840 18.063 -24.785 68.897 -99.200 -91.000 HIS 62 0.900 9.319 -24.271 79.479 -99.200 -91.000 PHE 69 1.000 14.887 -16.727 87.998 -99.200 -91.000 HIS 94 0.900 20.569 -18.539 98.678 -99.200 -91.000 HIS 99 0.900 14.891 -24.350 86.587 -99.200 -91.000 TYR 101 0.840 14.897 -21.885 80.688 -99.200 -91.000 PHE 106 1.000 14.359 -11.687 86.011 -99.200 -91.000 PHE 110 1.000 19.728 -8.020 87.526 -99.200 -91.000 TRP 111 1.040 26.367 -8.259 82.386 -99.200 -91.000 TRP6 111 1.020 28.640 -7.637 82.542 -99.200 -91.000 TRP 123 1.040 31.389 -1.728 72.861 -99.200 -91.000 TRP6 123 1.020 33.408 -0.519 73.151 -99.200 -91.000 TYR 137 0.840 24.881 -17.883 60.637 -99.200 -91.000 HIS 155 0.900 22.687 -13.902 50.810 -99.200 -91.000 TYR 160 0.840 25.854 -11.305 54.706 -99.200 -91.000 PHE 163 1.000 27.764 -18.103 51.647 -99.200 -91.000 TRP 171 1.040 20.631 -41.357 56.740 -99.200 -91.000 TRP6 171 1.020 22.018 -42.474 55.190 -99.200 -91.000 TRP 199 1.040 21.988 -36.020 60.209 -99.200 -91.000 TRP6 199 1.020 23.865 -34.634 59.816 -99.200 -91.000 TYR 216 0.840 30.883 -31.154 55.549 -99.200 -91.000 TYR 225 0.840 31.985 -33.891 74.458 -99.200 -91.000 HIS 249 0.900 30.859 -30.645 84.622 -99.200 -91.000 PHE 282 1.000 38.011 -23.366 80.220 -99.200 -91.000 TRP 296 1.040 13.968 -16.660 66.478 -99.200 -91.000 TRP6 296 1.020 15.075 -17.434 64.536 -99.200 -91.000 HIS 307 0.900 26.849 -3.773 73.772 -99.200 -91.000 PHE 308 1.000 29.198 -14.068 74.439 -99.200 -91.000 PHE 316 1.000 42.238 -17.626 69.370 -99.200 -91.000 TYR 326 0.840 18.038 -14.782 60.811 -99.200 -91.000 HIS 339 0.900 29.546 -0.811 56.852 -99.200 -91.000 TYR 344 0.840 30.533 -2.867 62.181 -99.200 -91.000 PHE 357 1.000 8.290 0.139 77.896 -99.200 -91.000 TRP 367 1.040 6.532 -9.953 90.892 -99.200 -91.000 TRP6 367 1.020 6.975 -10.664 88.683 -99.200 -91.000