============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.544 6.244 18.369 -99.200 -91.000 TRP6 14 1.020 7.272 8.082 19.154 -99.200 -91.000 PHE 19 1.000 12.520 -5.409 3.236 -99.200 -91.000 TRP 37 1.040 22.948 10.130 14.025 -99.200 -91.000 TRP6 37 1.020 24.838 8.734 14.006 -99.200 -91.000 HIS 43 0.900 19.638 -9.085 19.409 -99.200 -91.000 TYR 47 0.840 24.158 -14.273 18.558 -99.200 -91.000 TRP 49 1.040 22.298 -18.416 16.156 -99.200 -91.000 TRP6 49 1.020 20.004 -17.839 16.120 -99.200 -91.000 PHE 53 1.000 22.282 -9.294 8.398 -99.200 -91.000 HIS 65 0.900 -0.710 0.774 10.346 -99.200 -91.000 TYR 70 0.840 7.295 1.649 -1.879 -99.200 -91.000 TYR 84 0.840 29.324 5.044 13.905 -99.200 -91.000 HIS 86 0.900 29.037 0.008 24.415 -99.200 -91.000 TYR 89 0.840 26.501 -7.400 20.713 -99.200 -91.000 TRP 91 1.040 29.969 -11.079 20.092 -99.200 -91.000 TRP6 91 1.020 31.072 -13.188 19.860 -99.200 -91.000 PHE 110 1.000 12.183 14.562 11.562 -99.200 -91.000 TYR 113 0.840 1.302 9.396 7.380 -99.200 -91.000 HIS 115 0.900 8.041 14.268 15.631 -99.200 -91.000 TYR 132 0.840 6.046 4.395 37.653 -99.200 -91.000 TRP 139 1.040 5.381 -3.825 11.021 -99.200 -91.000 TRP6 139 1.020 6.940 -2.071 11.226 -99.200 -91.000 TRP 146 1.040 3.911 -19.029 12.206 -99.200 -91.000 TRP6 146 1.020 5.941 -17.950 12.637 -99.200 -91.000 PHE 178 1.000 13.986 -1.530 30.575 -99.200 -91.000 TYR 182 0.840 0.741 -7.175 31.830 -99.200 -91.000 PHE 201 1.000 9.499 -0.595 28.108 -99.200 -91.000 PHE 207 1.000 7.268 14.002 35.734 -99.200 -91.000 TRP 211 1.040 4.471 9.239 23.169 -99.200 -91.000 TRP6 211 1.020 3.698 7.242 24.151 -99.200 -91.000 TYR 212 0.840 11.484 11.896 27.425 -99.200 -91.000 TRP 219 1.040 18.540 -10.790 26.898 -99.200 -91.000 TRP6 219 1.020 17.965 -12.341 28.543 -99.200 -91.000 TYR 229 0.840 8.958 -11.786 34.325 -99.200 -91.000 PHE 231 1.000 15.598 -10.467 31.164 -99.200 -91.000 TYR 232 0.840 11.889 -4.878 26.737 -99.200 -91.000 HIS 234 0.900 18.687 1.580 32.184 -99.200 -91.000 PHE 236 1.000 20.418 8.223 32.145 -99.200 -91.000 TRP 241 1.040 28.773 3.820 22.187 -99.200 -91.000 TRP6 241 1.020 26.954 3.141 20.886 -99.200 -91.000 PHE 249 1.000 32.566 8.258 14.951 -99.200 -91.000