============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 27 1.000 35.425 56.355 -22.684 -99.200 -91.000 TYR 30 0.840 34.978 58.610 -15.633 -99.200 -91.000 TRP 38 1.040 30.940 64.207 -17.872 -99.200 -91.000 TRP6 38 1.020 32.203 62.224 -17.583 -99.200 -91.000 PHE 73 1.000 29.737 58.754 3.636 -99.200 -91.000 TYR 84 0.840 43.828 49.174 23.633 -99.200 -91.000 HIS 101 0.900 29.551 53.183 5.226 -99.200 -91.000 HIS 117 0.900 33.306 66.154 16.738 -99.200 -91.000 TYR 118 0.840 38.397 60.184 19.678 -99.200 -91.000 TYR 119 0.840 43.190 59.866 14.561 -99.200 -91.000 HIS 132 0.900 33.381 44.536 13.848 -99.200 -91.000 TYR 167 0.840 27.795 39.505 17.796 -99.200 -91.000 HIS 174 0.900 14.275 23.431 26.293 -99.200 -91.000 HIS 188 0.900 12.101 37.902 2.164 -99.200 -91.000 HIS 194 0.900 11.815 40.807 6.920 -99.200 -91.000 HIS 198 0.900 18.420 32.771 -2.734 -99.200 -91.000 HIS 207 0.900 31.253 27.948 14.470 -99.200 -91.000 TYR 208 0.840 23.238 27.149 17.535 -99.200 -91.000 HIS 213 0.900 18.789 24.525 28.746 -99.200 -91.000 PHE 214 1.000 16.845 32.714 30.589 -99.200 -91.000 HIS 217 0.900 11.384 33.896 26.267 -99.200 -91.000 HIS 230 0.900 19.258 42.877 9.195 -99.200 -91.000 HIS 235 0.900 23.579 31.974 9.562 -99.200 -91.000 HIS 238 0.900 17.552 28.418 7.708 -99.200 -91.000 HIS 241 0.900 14.807 27.600 18.889 -99.200 -91.000 TYR 249 0.840 15.542 39.157 10.244 -99.200 -91.000 PHE 263 1.000 8.818 35.909 31.709 -99.200 -91.000 PHE 270 1.000 15.414 43.496 25.287 -99.200 -91.000 HIS 276 0.900 26.785 43.792 24.984 -99.200 -91.000 TYR 283 0.840 46.863 35.990 17.310 -99.200 -91.000 HIS 284 0.900 47.915 46.472 18.286 -99.200 -91.000 TRP 293 1.040 40.373 45.529 24.308 -99.200 -91.000 TRP6 293 1.020 41.387 44.855 22.276 -99.200 -91.000 HIS 294 0.900 35.928 39.848 28.162 -99.200 -91.000 PHE 312 1.000 14.682 26.753 33.786 -99.200 -91.000 HIS 315 0.900 6.414 29.640 37.052 -99.200 -91.000 TRP 321 1.040 4.679 29.334 48.986 -99.200 -91.000 TRP6 321 1.020 2.951 27.987 49.874 -99.200 -91.000