============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.392 -9.054 21.257 -99.200 -91.000 TRP6 21 1.020 19.383 -7.967 20.552 -99.200 -91.000 TYR 40 0.840 15.633 -2.684 37.182 -99.200 -91.000 HIS 42 0.900 11.121 1.817 30.825 -99.200 -91.000 HIS 47 0.900 4.809 -11.279 18.388 -99.200 -91.000 TYR 49 0.840 13.038 -7.723 22.239 -99.200 -91.000 PHE 74 1.000 5.997 4.410 30.391 -99.200 -91.000 TRP 80 1.040 9.272 -8.282 13.279 -99.200 -91.000 TRP6 80 1.020 11.363 -7.315 13.857 -99.200 -91.000 TYR 83 0.840 2.871 -9.110 13.256 -99.200 -91.000 HIS 84 0.900 6.247 -1.337 9.882 -99.200 -91.000 TYR 104 0.840 -2.801 0.796 31.094 -99.200 -91.000 TYR 108 0.840 2.408 -1.828 19.921 -99.200 -91.000 HIS 111 0.900 11.648 -4.085 17.667 -99.200 -91.000 TRP 112 1.040 14.168 -2.698 13.670 -99.200 -91.000 TRP6 112 1.020 16.377 -1.851 13.450 -99.200 -91.000 PHE 116 1.000 11.564 -6.668 7.861 -99.200 -91.000 PHE 122 1.000 8.707 -13.099 14.713 -99.200 -91.000 PHE 123 1.000 14.793 -9.918 10.602 -99.200 -91.000 TRP 142 1.040 2.224 8.611 13.950 -99.200 -91.000 TRP6 142 1.020 3.529 7.680 15.683 -99.200 -91.000 PHE 162 1.000 10.381 5.420 12.580 -99.200 -91.000 HIS 164 0.900 18.050 14.486 10.234 -99.200 -91.000 TYR 178 0.840 -3.479 11.046 19.664 -99.200 -91.000 HIS 188 0.900 27.119 1.932 22.139 -99.200 -91.000 TYR 190 0.840 33.369 1.674 22.727 -99.200 -91.000 TYR 199 0.840 14.616 16.395 14.241 -99.200 -91.000 TYR 210 0.840 18.618 -0.310 20.525 -99.200 -91.000 TRP 220 1.040 25.263 -8.722 15.849 -99.200 -91.000 TRP6 220 1.020 22.912 -8.955 16.040 -99.200 -91.000 HIS 241 0.900 32.405 9.457 39.647 -99.200 -91.000 PHE 252 1.000 27.703 8.776 28.157 -99.200 -91.000 PHE 274 1.000 15.823 0.917 40.301 -99.200 -91.000 PHE 277 1.000 17.523 6.231 39.811 -99.200 -91.000 PHE 279 1.000 27.345 6.896 39.727 -99.200 -91.000 TYR 292 0.840 36.276 7.352 26.463 -99.200 -91.000 TRP 296 1.040 30.882 -1.508 17.175 -99.200 -91.000 TRP6 296 1.020 29.931 -2.364 19.174 -99.200 -91.000 HIS 307 0.900 12.245 -1.590 3.812 -99.200 -91.000 TYR 310 0.840 20.013 -0.004 6.779 -99.200 -91.000 PHE 312 1.000 20.380 2.205 11.958 -99.200 -91.000 HIS 313 0.900 20.977 2.971 3.073 -99.200 -91.000 PHE 316 1.000 21.299 14.398 12.110 -99.200 -91.000