============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 15.225 -1.477 27.629 -99.200 -91.000 PHE 6 1.000 21.494 -2.825 23.939 -99.200 -91.000 PHE 32 1.000 16.080 7.069 10.645 -99.200 -91.000 TYR 62 0.840 5.498 22.036 20.745 -99.200 -91.000 HIS 63 0.900 5.600 18.703 16.789 -99.200 -91.000 HIS 80 0.900 1.788 1.816 20.846 -99.200 -91.000 PHE 82 1.000 -5.535 9.584 16.902 -99.200 -91.000 TRP 85 1.040 4.466 1.513 15.097 -99.200 -91.000 TRP6 85 1.020 5.614 0.817 13.162 -99.200 -91.000 TYR 96 0.840 15.323 19.939 19.095 -99.200 -91.000 PHE 113 1.000 4.257 24.669 25.532 -99.200 -91.000 HIS 118 0.900 -1.188 24.648 24.858 -99.200 -91.000 HIS 130 0.900 -0.225 6.334 31.957 -99.200 -91.000 PHE 140 1.000 10.237 19.062 30.278 -99.200 -91.000 TYR 146 0.840 27.957 24.817 18.808 -99.200 -91.000 TRP 163 1.040 13.693 20.227 35.286 -99.200 -91.000 TRP6 163 1.020 13.377 21.447 33.272 -99.200 -91.000 PHE 171 1.000 8.929 4.716 33.380 -99.200 -91.000 PHE 184 1.000 16.122 4.339 25.991 -99.200 -91.000 PHE 192 1.000 31.763 23.856 27.012 -99.200 -91.000 PHE 208 1.000 17.228 8.059 33.837 -99.200 -91.000 TYR 211 0.840 21.930 5.470 31.022 -99.200 -91.000 PHE 226 1.000 31.051 11.821 13.008 -99.200 -91.000 PHE 231 1.000 34.184 15.025 24.905 -99.200 -91.000 HIS 242 0.900 25.796 3.385 24.722 -99.200 -91.000 TYR 243 0.840 17.020 8.627 20.829 -99.200 -91.000 PHE 264 1.000 22.310 6.513 14.819 -99.200 -91.000 PHE 279 1.000 18.984 11.201 2.146 -99.200 -91.000 TRP 281 1.040 22.970 1.989 -1.489 -99.200 -91.000 TRP6 281 1.020 23.333 1.958 0.834 -99.200 -91.000 PHE 292 1.000 18.157 13.101 -11.428 -99.200 -91.000 HIS 304 0.900 17.686 -5.271 -2.410 -99.200 -91.000 TRP 311 1.040 5.546 3.947 -10.104 -99.200 -91.000 TRP6 311 1.020 5.062 2.897 -8.045 -99.200 -91.000 TYR 315 0.840 4.694 8.314 -12.224 -99.200 -91.000 HIS 317 0.900 11.978 16.083 -13.534 -99.200 -91.000 HIS 318 0.900 4.207 14.421 -14.326 -99.200 -91.000 HIS 334 0.900 15.014 5.535 -2.603 -99.200 -91.000 PHE 338 1.000 20.430 5.255 1.147 -99.200 -91.000 TYR 339 0.840 18.175 8.138 6.529 -99.200 -91.000 PHE 355 1.000 30.252 0.185 11.358 -99.200 -91.000 PHE 358 1.000 28.250 -0.302 5.242 -99.200 -91.000 PHE 362 1.000 27.531 5.499 3.501 -99.200 -91.000 TYR 366 0.840 25.839 9.417 0.975 -99.200 -91.000 PHE 367 1.000 30.361 11.857 1.960 -99.200 -91.000