============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 22.868 49.428 14.367 -99.200 -91.000 PHE 34 1.000 26.068 68.940 20.796 -99.200 -91.000 HIS 50 0.900 31.418 48.036 22.462 -99.200 -91.000 PHE 55 1.000 26.691 46.420 11.301 -99.200 -91.000 TYR 67 0.840 26.130 72.611 19.534 -99.200 -91.000 PHE 95 1.000 6.114 79.940 20.033 -99.200 -91.000 TYR 111 0.840 32.897 75.019 17.711 -99.200 -91.000 PHE 116 1.000 22.859 69.042 2.051 -99.200 -91.000 HIS 130 0.900 14.290 79.922 14.304 -99.200 -91.000 PHE 131 1.000 20.803 75.240 11.274 -99.200 -91.000 HIS 139 0.900 18.187 81.232 1.279 -99.200 -91.000 PHE 154 1.000 1.763 58.575 -3.243 -99.200 -91.000 PHE 157 1.000 1.292 53.269 3.250 -99.200 -91.000 HIS 161 0.900 -4.245 48.324 -5.513 -99.200 -91.000 PHE 162 1.000 -1.072 49.028 -9.006 -99.200 -91.000 HIS 177 0.900 5.498 69.569 8.895 -99.200 -91.000 PHE 197 1.000 -0.725 49.987 -13.016 -99.200 -91.000 HIS 214 0.900 -1.989 53.318 4.781 -99.200 -91.000 TRP 219 1.040 1.828 61.471 11.312 -99.200 -91.000 TRP6 219 1.020 1.310 61.927 13.573 -99.200 -91.000 TYR 232 0.840 12.623 53.979 16.702 -99.200 -91.000 PHE 233 1.000 13.637 50.604 14.180 -99.200 -91.000 TYR 246 0.840 26.986 67.926 0.794 -99.200 -91.000 PHE 259 1.000 14.696 80.323 -0.465 -99.200 -91.000 HIS 263 0.900 12.157 76.042 -9.594 -99.200 -91.000 TYR 264 0.840 6.807 72.480 -7.843 -99.200 -91.000 TYR 270 0.840 14.702 76.796 3.289 -99.200 -91.000