============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 15.505 -32.669 27.829 -99.200 -91.000 PHE 9 1.000 24.481 -33.743 27.077 -99.200 -91.000 HIS 21 0.900 20.232 -35.352 25.927 -99.200 -91.000 TYR 22 0.840 23.110 -41.777 28.141 -99.200 -91.000 HIS 23 0.900 16.203 -37.471 27.986 -99.200 -91.000 HIS 37 0.900 15.355 -39.915 18.002 -99.200 -91.000 TRP 46 1.040 11.164 -35.526 27.949 -99.200 -91.000 TRP6 46 1.020 11.584 -37.134 29.620 -99.200 -91.000 PHE 49 1.000 10.592 -43.825 21.900 -99.200 -91.000 HIS 59 0.900 6.852 -53.408 34.328 -99.200 -91.000 PHE 60 1.000 11.507 -53.998 30.541 -99.200 -91.000 HIS 61 0.900 19.876 -48.865 33.110 -99.200 -91.000 TYR 70 0.840 17.014 -37.124 13.948 -99.200 -91.000 HIS 72 0.900 19.161 -30.900 23.940 -99.200 -91.000 HIS 79 0.900 25.199 -38.802 8.397 -99.200 -91.000 PHE 82 1.000 20.726 -41.237 11.284 -99.200 -91.000 TYR 85 0.840 26.868 -40.538 12.172 -99.200 -91.000 PHE 94 1.000 24.366 -51.636 23.254 -99.200 -91.000 PHE 117 1.000 23.994 -52.308 18.721 -99.200 -91.000 TYR 121 0.840 28.482 -52.793 15.770 -99.200 -91.000 PHE 141 1.000 0.887 -55.477 -2.538 -99.200 -91.000 PHE 155 1.000 10.242 -28.507 8.688 -99.200 -91.000 PHE 167 1.000 6.899 -35.681 9.388 -99.200 -91.000 TYR 173 0.840 -7.919 -43.701 12.244 -99.200 -91.000 PHE 187 1.000 8.556 -23.456 12.172 -99.200 -91.000 PHE 206 1.000 18.108 -43.937 5.003 -99.200 -91.000 PHE 211 1.000 23.291 -48.771 -3.039 -99.200 -91.000 TRP 217 1.040 14.745 -54.441 1.594 -99.200 -91.000 TRP6 217 1.020 15.047 -55.707 -0.365 -99.200 -91.000 TYR 221 0.840 19.525 -64.362 5.155 -99.200 -91.000 TRP 231 1.040 3.878 -51.202 9.985 -99.200 -91.000 TRP6 231 1.020 5.895 -52.420 9.843 -99.200 -91.000 HIS 256 0.900 -1.012 -56.807 18.454 -99.200 -91.000 PHE 258 1.000 -1.661 -52.131 18.829 -99.200 -91.000 HIS 263 0.900 5.934 -43.800 11.520 -99.200 -91.000 TRP 264 1.040 4.375 -40.005 15.718 -99.200 -91.000 TRP6 264 1.020 3.694 -37.812 16.242 -99.200 -91.000 PHE 270 1.000 1.400 -44.256 27.422 -99.200 -91.000 PHE 273 1.000 5.380 -49.125 22.115 -99.200 -91.000 PHE 280 1.000 9.162 -59.860 21.568 -99.200 -91.000