============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 40 1.000 33.304 -15.635 10.308 -99.200 -91.000 HIS 51 0.900 27.099 8.549 23.078 -99.200 -91.000 PHE 61 1.000 44.644 17.011 32.430 -99.200 -91.000 PHE 76 1.000 41.049 17.449 38.575 -99.200 -91.000 PHE 85 1.000 40.959 4.070 24.188 -99.200 -91.000 PHE 88 1.000 37.389 12.573 20.322 -99.200 -91.000 HIS 93 0.900 20.740 6.854 13.267 -99.200 -91.000 HIS 96 0.900 30.929 -1.022 10.019 -99.200 -91.000 HIS 105 0.900 28.689 13.912 16.476 -99.200 -91.000 PHE 107 1.000 36.482 15.470 24.150 -99.200 -91.000 PHE 111 1.000 41.113 12.847 32.604 -99.200 -91.000 TYR 112 0.840 44.164 4.166 31.023 -99.200 -91.000 TRP 118 1.040 37.229 11.339 37.019 -99.200 -91.000 TRP6 118 1.020 37.853 13.455 36.184 -99.200 -91.000 PHE 125 1.000 24.539 18.872 20.636 -99.200 -91.000 PHE 128 1.000 21.176 13.725 27.301 -99.200 -91.000 PHE 129 1.000 18.786 16.098 23.067 -99.200 -91.000 PHE 136 1.000 19.865 7.715 28.151 -99.200 -91.000 HIS 141 0.900 13.013 2.191 24.414 -99.200 -91.000 PHE 143 1.000 16.570 12.295 20.612 -99.200 -91.000 PHE 158 1.000 10.591 16.940 16.569 -99.200 -91.000 PHE 160 1.000 10.342 11.587 25.429 -99.200 -91.000 PHE 161 1.000 13.018 15.260 22.867 -99.200 -91.000 HIS 163 0.900 3.568 14.121 25.664 -99.200 -91.000 TYR 175 0.840 16.134 18.696 14.874 -99.200 -91.000 TYR 184 0.840 34.261 12.121 16.527 -99.200 -91.000 PHE 186 1.000 39.032 20.620 12.649 -99.200 -91.000 HIS 193 0.900 25.380 15.022 34.235 -99.200 -91.000 TYR 195 0.840 31.116 14.808 36.943 -99.200 -91.000 HIS 205 0.900 35.144 24.801 46.607 -99.200 -91.000 TYR 206 0.840 27.539 20.889 44.625 -99.200 -91.000 PHE 209 1.000 35.666 18.482 35.829 -99.200 -91.000 HIS 210 0.900 34.483 24.771 27.309 -99.200 -91.000 TRP 211 1.040 37.541 17.494 27.712 -99.200 -91.000 TRP6 211 1.020 39.698 17.309 28.619 -99.200 -91.000 TYR 233 0.840 30.988 3.769 5.480 -99.200 -91.000 HIS 235 0.900 31.972 13.651 8.645 -99.200 -91.000 PHE 249 1.000 50.977 13.725 17.203 -99.200 -91.000 TRP 252 1.040 39.503 19.084 22.504 -99.200 -91.000 TRP6 252 1.020 40.432 17.368 21.205 -99.200 -91.000 TYR 255 0.840 39.796 27.223 29.641 -99.200 -91.000 PHE 267 1.000 23.688 30.998 40.530 -99.200 -91.000 PHE 269 1.000 20.680 28.634 36.042 -99.200 -91.000 TRP 278 1.040 26.131 26.102 36.460 -99.200 -91.000 TRP6 278 1.020 27.864 25.289 37.835 -99.200 -91.000 PHE 298 1.000 36.886 0.271 16.032 -99.200 -91.000 PHE 299 1.000 36.133 -7.331 20.016 -99.200 -91.000 PHE 329 1.000 21.991 0.309 37.858 -99.200 -91.000 TYR 331 0.840 27.407 5.900 31.111 -99.200 -91.000 TYR 337 0.840 23.743 -7.821 27.639 -99.200 -91.000 HIS 368 0.900 49.152 -17.649 40.239 -99.200 -91.000 TYR 375 0.840 37.814 -14.280 55.133 -99.200 -91.000 TYR 391 0.840 31.147 6.888 49.239 -99.200 -91.000 PHE 411 1.000 9.261 27.101 27.454 -99.200 -91.000 TYR 418 0.840 16.248 32.042 16.653 -99.200 -91.000 TYR 421 0.840 22.610 28.898 17.279 -99.200 -91.000 PHE 433 1.000 13.136 21.992 16.421 -99.200 -91.000 TYR 451 0.840 6.988 22.726 24.701 -99.200 -91.000 TYR 453 0.840 5.324 33.113 19.211 -99.200 -91.000 TYR 459 0.840 14.137 28.109 17.753 -99.200 -91.000