============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -15.152 6.895 18.809 -99.200 -91.000 PHE 8 1.000 -9.575 -5.460 16.337 -99.200 -91.000 TRP 31 1.040 5.105 -22.214 19.039 -99.200 -91.000 TRP6 31 1.020 4.320 -23.291 20.992 -99.200 -91.000 TYR 37 0.840 7.258 -16.113 12.369 -99.200 -91.000 HIS 41 0.900 16.431 -6.319 19.350 -99.200 -91.000 TYR 54 0.840 21.684 -7.803 13.905 -99.200 -91.000 HIS 64 0.900 23.621 -27.021 19.893 -99.200 -91.000 PHE 66 1.000 19.014 -18.738 18.195 -99.200 -91.000 HIS 80 0.900 20.079 -21.407 13.326 -99.200 -91.000 TYR 101 0.840 -0.313 -17.447 11.103 -99.200 -91.000 PHE 103 1.000 3.545 -13.564 9.779 -99.200 -91.000 PHE 112 1.000 0.094 -1.019 15.248 -99.200 -91.000 TYR 118 0.840 7.453 -5.278 29.410 -99.200 -91.000 TYR 126 0.840 0.271 0.020 24.052 -99.200 -91.000 HIS 134 0.900 6.917 5.716 7.370 -99.200 -91.000 PHE 140 1.000 5.991 -1.338 22.930 -99.200 -91.000 PHE 150 1.000 -3.561 -7.968 18.783 -99.200 -91.000 TYR 154 0.840 -16.043 -11.616 9.639 -99.200 -91.000 PHE 159 1.000 -0.067 -12.462 14.873 -99.200 -91.000 TYR 161 0.840 5.583 -2.107 16.174 -99.200 -91.000 HIS 163 0.900 9.065 -1.755 20.756 -99.200 -91.000 HIS 164 0.900 12.745 -5.469 15.468 -99.200 -91.000 HIS 172 0.900 7.777 3.276 22.184 -99.200 -91.000 PHE 181 1.000 13.581 -1.574 12.225 -99.200 -91.000 TYR 182 0.840 5.338 -1.366 9.703 -99.200 -91.000 PHE 185 1.000 12.655 5.297 12.358 -99.200 -91.000 TRP 207 1.040 -12.414 12.125 17.844 -99.200 -91.000 TRP6 207 1.020 -12.003 14.437 18.039 -99.200 -91.000 TYR 209 0.840 -18.208 12.756 8.456 -99.200 -91.000 TRP 218 1.040 -18.941 21.408 19.966 -99.200 -91.000 TRP6 218 1.020 -17.356 23.095 19.412 -99.200 -91.000 PHE 219 1.000 -18.088 18.857 15.455 -99.200 -91.000 PHE 223 1.000 -19.731 30.322 6.229 -99.200 -91.000 PHE 230 1.000 -8.826 20.296 5.018 -99.200 -91.000 TYR 237 0.840 -4.009 26.106 11.283 -99.200 -91.000 TYR 239 0.840 -4.711 18.697 11.049 -99.200 -91.000 HIS 246 0.900 -6.297 10.490 2.600 -99.200 -91.000 PHE 291 1.000 -10.723 6.980 18.451 -99.200 -91.000 PHE 294 1.000 -12.585 -1.923 10.275 -99.200 -91.000 PHE 305 1.000 -29.418 11.244 20.537 -99.200 -91.000