============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. TYR 9 0.840 -20.960 24.800 63.531 -99.200 -91.000 HIS 10 0.900 -21.677 21.677 71.868 -99.200 -91.000 TYR 16 0.840 -7.267 8.165 74.746 -99.200 -91.000 PHE 19 1.000 -3.221 14.666 80.554 -99.200 -91.000 TRP 34 1.040 -5.148 33.215 91.501 -99.200 -91.000 TRP6 34 1.020 -6.218 34.515 89.843 -99.200 -91.000 PHE 45 1.000 -7.133 30.262 82.016 -99.200 -91.000 TYR 48 0.840 -0.870 28.739 69.671 -99.200 -91.000 HIS 49 0.900 0.924 29.622 77.275 -99.200 -91.000 TYR 53 0.840 -2.536 22.821 83.620 -99.200 -91.000 TYR 54 0.840 -6.034 26.024 83.716 -99.200 -91.000 TRP 57 1.040 -9.212 22.576 70.658 -99.200 -91.000 TRP6 57 1.020 -9.810 24.855 70.864 -99.200 -91.000 TYR 59 0.840 -5.434 28.801 70.360 -99.200 -91.000 TYR 61 0.840 -2.779 33.732 65.684 -99.200 -91.000 PHE 62 1.000 -3.343 29.156 58.951 -99.200 -91.000 TYR 66 0.840 -9.149 29.700 67.651 -99.200 -91.000 TRP 88 1.040 -18.816 19.881 72.250 -99.200 -91.000 TRP6 88 1.020 -19.760 17.818 71.668 -99.200 -91.000 PHE 92 1.000 -13.247 17.569 82.120 -99.200 -91.000 TYR 98 0.840 -14.630 33.769 66.733 -99.200 -91.000 TRP 101 1.040 -20.832 34.512 59.059 -99.200 -91.000 TRP6 101 1.020 -19.168 33.494 57.702 -99.200 -91.000 PHE 106 1.000 -12.574 35.919 71.222 -99.200 -91.000 TYR 107 0.840 -13.147 41.282 70.826 -99.200 -91.000 HIS 124 0.900 -2.506 41.934 83.196 -99.200 -91.000 HIS 126 0.900 -2.285 34.954 74.053 -99.200 -91.000 HIS 131 0.900 -7.321 39.396 72.716 -99.200 -91.000 PHE 144 1.000 -10.373 43.082 80.950 -99.200 -91.000 TRP 153 1.040 4.679 31.447 90.210 -99.200 -91.000 TRP6 153 1.020 6.899 30.655 90.316 -99.200 -91.000 TYR 191 0.840 16.469 16.919 52.018 -99.200 -91.000 PHE 209 1.000 -0.776 8.342 73.240 -99.200 -91.000 TYR 211 0.840 -8.499 11.278 68.499 -99.200 -91.000 TRP 218 1.040 11.054 20.437 65.936 -99.200 -91.000 TRP6 218 1.020 9.819 20.933 67.894 -99.200 -91.000 TRP 220 1.040 14.986 22.209 64.935 -99.200 -91.000 TRP6 220 1.020 14.311 23.318 66.908 -99.200 -91.000 PHE 221 1.000 21.631 14.858 61.454 -99.200 -91.000 HIS 231 0.900 15.622 26.741 70.574 -99.200 -91.000 PHE 250 1.000 13.332 19.234 69.855 -99.200 -91.000 PHE 254 1.000 -4.017 13.079 73.152 -99.200 -91.000 TYR 256 0.840 0.861 17.771 79.041 -99.200 -91.000 TYR 257 0.840 9.852 20.417 74.213 -99.200 -91.000 PHE 265 1.000 32.080 15.306 66.959 -99.200 -91.000 TRP 277 1.040 30.632 14.620 72.981 -99.200 -91.000 TRP6 277 1.020 30.685 12.876 71.382 -99.200 -91.000 HIS 284 0.900 23.751 15.773 80.474 -99.200 -91.000 TYR 308 0.840 30.329 24.617 80.950 -99.200 -91.000 TRP 311 1.040 37.989 21.470 82.495 -99.200 -91.000 TRP6 311 1.020 35.825 20.610 82.877 -99.200 -91.000 TYR 316 0.840 34.862 29.650 73.816 -99.200 -91.000 PHE 319 1.000 20.563 26.206 75.679 -99.200 -91.000 TYR 321 0.840 24.378 25.469 83.312 -99.200 -91.000 HIS 323 0.900 12.818 23.560 78.817 -99.200 -91.000 PHE 325 1.000 11.194 19.203 79.406 -99.200 -91.000 HIS 330 0.900 7.951 25.890 66.873 -99.200 -91.000 TYR 331 0.840 2.936 26.175 67.932 -99.200 -91.000 TYR 332 0.840 2.128 24.954 72.703 -99.200 -91.000 TYR 372 0.840 31.656 20.376 70.930 -99.200 -91.000 HIS 375 0.900 16.543 18.040 76.777 -99.200 -91.000 PHE 391 1.000 20.163 7.588 71.335 -99.200 -91.000 PHE 393 1.000 25.175 11.084 79.252 -99.200 -91.000 HIS 397 0.900 27.658 4.436 75.361 -99.200 -91.000