============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. PHE 6 1.000 -33.574 67.887 11.405 -99.200 -91.000 PHE 12 1.000 -28.311 76.624 2.844 -99.200 -91.000 HIS 14 0.900 -28.435 76.123 13.167 -99.200 -91.000 PHE 15 1.000 -21.607 76.361 5.020 -99.200 -91.000 TYR 16 0.840 -23.623 80.680 4.027 -99.200 -91.000 HIS 21 0.900 -19.323 82.019 15.191 -99.200 -91.000 PHE 29 1.000 -17.483 92.693 15.235 -99.200 -91.000 TRP 45 1.040 -25.669 113.303 2.984 -99.200 -91.000 TRP6 45 1.020 -24.730 115.307 2.143 -99.200 -91.000 HIS 46 0.900 -26.451 116.656 10.622 -99.200 -91.000 TYR 58 0.840 -28.208 112.840 -9.273 -99.200 -91.000 PHE 60 1.000 -24.629 112.567 -13.492 -99.200 -91.000 TYR 68 0.840 -9.880 119.621 -11.427 -99.200 -91.000 PHE 76 1.000 -14.335 118.612 -14.873 -99.200 -91.000 PHE 79 1.000 -19.431 110.234 -13.474 -99.200 -91.000 TRP 94 1.040 -25.925 103.339 -2.163 -99.200 -91.000 TRP6 94 1.020 -25.362 102.161 -0.188 -99.200 -91.000 PHE 102 1.000 -29.151 109.271 -3.389 -99.200 -91.000 HIS 113 0.900 -25.651 119.804 -5.829 -99.200 -91.000 PHE 116 1.000 -22.379 111.107 -8.677 -99.200 -91.000 PHE 119 1.000 -9.144 111.180 -10.180 -99.200 -91.000 PHE 128 1.000 -10.599 111.746 -4.847 -99.200 -91.000 TYR 130 0.840 -13.136 114.793 -0.461 -99.200 -91.000 TRP 141 1.040 -13.719 114.664 -7.115 -99.200 -91.000 TRP6 141 1.020 -13.665 116.187 -8.926 -99.200 -91.000 TYR 142 0.840 -16.740 108.027 -9.377 -99.200 -91.000 TYR 148 0.840 -8.599 102.057 -12.387 -99.200 -91.000 TYR 159 0.840 -13.707 97.501 -7.878 -99.200 -91.000 HIS 166 0.900 -16.002 101.157 -1.658 -99.200 -91.000 HIS 170 0.900 -15.984 105.268 1.426 -99.200 -91.000 HIS 176 0.900 -12.465 102.037 2.960 -99.200 -91.000 TYR 180 0.840 -10.032 97.871 4.949 -99.200 -91.000 TYR 184 0.840 -10.385 87.991 6.084 -99.200 -91.000 TYR 189 0.840 -16.612 93.119 10.290 -99.200 -91.000 TYR 196 0.840 -20.378 87.800 5.152 -99.200 -91.000 TYR 201 0.840 -9.996 99.176 0.536 -99.200 -91.000 TRP 202 1.040 -10.058 92.879 3.461 -99.200 -91.000 TRP6 202 1.020 -8.118 93.870 2.530 -99.200 -91.000 PHE 211 1.000 -19.975 85.913 -4.177 -99.200 -91.000 TYR 219 0.840 -15.334 92.607 -8.572 -99.200 -91.000 TYR 235 0.840 -28.715 108.858 6.006 -99.200 -91.000 TYR 248 0.840 -37.183 90.624 -5.027 -99.200 -91.000 PHE 250 1.000 -33.448 82.022 -14.132 -99.200 -91.000 PHE 258 1.000 -29.855 95.859 -7.733 -99.200 -91.000 TYR 259 0.840 -33.042 92.995 -5.921 -99.200 -91.000 PHE 270 1.000 -30.619 88.579 -5.852 -99.200 -91.000 TRP 273 1.040 -35.708 97.397 1.368 -99.200 -91.000 TRP6 273 1.020 -36.065 96.946 3.669 -99.200 -91.000 PHE 283 1.000 -32.943 82.416 -6.583 -99.200 -91.000 PHE 286 1.000 -29.384 80.430 -11.772 -99.200 -91.000 PHE 299 1.000 -25.060 85.909 3.636 -99.200 -91.000 TYR 348 0.840 -37.674 72.269 8.409 -99.200 -91.000 TRP 357 1.040 -46.984 73.381 -5.731 -99.200 -91.000 TRP6 357 1.020 -48.487 72.448 -7.296 -99.200 -91.000 PHE 365 1.000 -42.796 66.829 -0.460 -99.200 -91.000 PHE 367 1.000 -43.875 67.810 7.332 -99.200 -91.000 PHE 384 1.000 -46.089 61.652 -0.777 -99.200 -91.000 PHE 388 1.000 -41.415 56.680 -8.475 -99.200 -91.000 PHE 404 1.000 -47.660 54.295 9.552 -99.200 -91.000 PHE 408 1.000 -55.265 59.841 15.843 -99.200 -91.000 HIS 411 0.900 -52.108 52.969 24.029 -99.200 -91.000 TYR 419 0.840 -56.350 58.193 -2.402 -99.200 -91.000 HIS 420 0.900 -60.447 61.628 1.599 -99.200 -91.000 PHE 432 1.000 -45.550 63.145 15.995 -99.200 -91.000 PHE 440 1.000 -46.923 66.329 11.487 -99.200 -91.000 TYR 451 0.840 -45.619 51.847 0.105 -99.200 -91.000