============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 4 1.000 9.705 39.891 -49.184 -99.200 -91.000 TYR 11 0.840 23.005 48.733 -56.154 -99.200 -91.000 HIS 60 0.900 40.245 30.969 -38.299 -99.200 -91.000 HIS 62 0.900 37.020 27.395 -34.596 -99.200 -91.000 HIS 79 0.900 24.676 14.936 -28.662 -99.200 -91.000 TRP 84 1.040 26.495 27.103 -25.251 -99.200 -91.000 TRP6 84 1.020 26.100 29.420 -24.974 -99.200 -91.000 PHE 97 1.000 29.920 39.166 -40.246 -99.200 -91.000 TYR 108 0.840 32.755 14.037 -39.474 -99.200 -91.000 HIS 140 0.900 46.053 25.701 -32.295 -99.200 -91.000 HIS 143 0.900 41.482 18.202 -25.006 -99.200 -91.000 PHE 150 1.000 42.179 10.115 -18.356 -99.200 -91.000 TYR 152 0.840 40.680 12.940 -26.579 -99.200 -91.000 TRP 162 1.040 50.360 6.673 -48.559 -99.200 -91.000 TRP6 162 1.020 49.160 7.122 -50.551 -99.200 -91.000 TYR 174 0.840 31.392 9.584 -41.753 -99.200 -91.000 PHE 181 1.000 47.698 21.832 -43.598 -99.200 -91.000 PHE 199 1.000 49.810 17.680 -40.352 -99.200 -91.000 HIS 212 0.900 43.919 22.295 -53.689 -99.200 -91.000 HIS 214 0.900 37.882 13.312 -53.077 -99.200 -91.000 HIS 221 0.900 47.242 27.566 -35.987 -99.200 -91.000 HIS 223 0.900 49.188 32.391 -34.663 -99.200 -91.000 HIS 241 0.900 44.919 31.986 -36.675 -99.200 -91.000 PHE 244 1.000 55.198 35.558 -35.047 -99.200 -91.000 PHE 265 1.000 37.513 42.146 -31.815 -99.200 -91.000 TYR 269 0.840 37.223 37.721 -25.596 -99.200 -91.000 PHE 298 1.000 45.153 43.772 -42.107 -99.200 -91.000 HIS 302 0.900 45.308 46.459 -48.594 -99.200 -91.000 PHE 310 1.000 35.452 40.811 -41.055 -99.200 -91.000 PHE 317 1.000 35.355 37.901 -31.976 -99.200 -91.000 HIS 319 0.900 30.462 32.430 -32.739 -99.200 -91.000 PHE 326 1.000 33.534 44.659 -41.668 -99.200 -91.000 TYR 328 0.840 40.461 46.326 -33.264 -99.200 -91.000 TRP 332 1.040 46.313 47.834 -36.907 -99.200 -91.000 TRP6 332 1.020 48.614 48.087 -36.416 -99.200 -91.000 PHE 351 1.000 33.809 31.961 -47.436 -99.200 -91.000 PHE 363 1.000 26.547 37.912 -58.370 -99.200 -91.000 PHE 386 1.000 16.338 44.384 -44.973 -99.200 -91.000 TYR 394 0.840 16.343 34.539 -41.957 -99.200 -91.000