============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 12.134 44.507 76.462 -99.200 -91.000 HIS 23 0.900 5.756 53.917 71.143 -99.200 -91.000 HIS 25 0.900 2.579 49.047 69.547 -99.200 -91.000 PHE 38 1.000 7.119 58.810 68.624 -99.200 -91.000 HIS 57 0.900 35.430 56.895 70.869 -99.200 -91.000 PHE 61 1.000 19.211 59.202 65.374 -99.200 -91.000 HIS 73 0.900 -2.044 52.961 64.704 -99.200 -91.000 TYR 77 0.840 -0.259 65.171 59.702 -99.200 -91.000 HIS 92 0.900 25.543 63.548 65.553 -99.200 -91.000 PHE 96 1.000 11.915 60.273 61.334 -99.200 -91.000 HIS 97 0.900 15.656 54.748 54.526 -99.200 -91.000 PHE 121 1.000 7.777 61.226 59.132 -99.200 -91.000 PHE 129 1.000 8.054 53.127 55.726 -99.200 -91.000 TYR 131 0.840 15.123 56.229 63.879 -99.200 -91.000 HIS 132 0.900 20.206 56.848 56.997 -99.200 -91.000 TRP 141 1.040 32.894 57.831 61.184 -99.200 -91.000 TRP6 141 1.020 33.153 59.890 62.262 -99.200 -91.000 HIS 142 0.900 27.674 61.474 61.865 -99.200 -91.000 HIS 160 0.900 -6.484 43.457 58.258 -99.200 -91.000 TYR 169 0.840 1.969 43.403 66.953 -99.200 -91.000 TYR 173 0.840 10.773 40.444 72.233 -99.200 -91.000 TYR 174 0.840 14.328 48.263 65.866 -99.200 -91.000 PHE 180 1.000 28.970 48.722 66.009 -99.200 -91.000 TYR 181 0.840 31.921 48.225 58.184 -99.200 -91.000 TYR 190 0.840 38.459 43.756 66.813 -99.200 -91.000 TYR 193 0.840 41.108 54.646 67.002 -99.200 -91.000 TYR 200 0.840 36.412 60.276 58.608 -99.200 -91.000 HIS 214 0.900 33.512 43.516 66.465 -99.200 -91.000 PHE 217 1.000 20.822 39.871 65.269 -99.200 -91.000 HIS 242 0.900 16.991 41.475 61.625 -99.200 -91.000 HIS 252 0.900 16.709 29.794 59.776 -99.200 -91.000 HIS 257 0.900 9.364 26.765 59.835 -99.200 -91.000 TYR 260 0.840 0.566 34.843 58.108 -99.200 -91.000 TRP 262 1.040 3.619 42.252 55.837 -99.200 -91.000 TRP6 262 1.020 3.119 41.266 57.920 -99.200 -91.000 PHE 267 1.000 3.384 46.517 58.305 -99.200 -91.000 TRP 278 1.040 12.719 37.190 57.676 -99.200 -91.000 TRP6 278 1.020 12.291 35.245 58.950 -99.200 -91.000 PHE 279 1.000 18.822 39.934 50.796 -99.200 -91.000 PHE 289 1.000 1.408 37.385 63.413 -99.200 -91.000 TYR 290 0.840 7.268 30.496 64.409 -99.200 -91.000 PHE 292 1.000 8.481 31.711 69.147 -99.200 -91.000 TYR 298 0.840 12.123 28.250 69.096 -99.200 -91.000 TYR 300 0.840 15.575 37.104 64.458 -99.200 -91.000 HIS 303 0.900 21.145 29.879 57.973 -99.200 -91.000 PHE 309 1.000 25.436 30.444 65.164 -99.200 -91.000 HIS 316 0.900 21.111 32.459 72.347 -99.200 -91.000 PHE 317 1.000 12.431 35.237 69.992 -99.200 -91.000 TRP 323 1.040 8.854 17.870 72.085 -99.200 -91.000 TRP6 323 1.020 10.339 19.356 71.016 -99.200 -91.000