============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 13 0.900 46.181 16.209 44.416 -99.200 -91.000 TRP 15 1.040 38.480 21.328 42.139 -99.200 -91.000 TRP6 15 1.020 36.640 22.760 41.672 -99.200 -91.000 PHE 19 1.000 27.329 18.951 53.188 -99.200 -91.000 HIS 24 0.900 19.604 8.616 52.259 -99.200 -91.000 HIS 36 0.900 27.408 7.180 49.659 -99.200 -91.000 TRP 37 1.040 33.092 9.165 54.298 -99.200 -91.000 TRP6 37 1.020 31.817 10.146 56.038 -99.200 -91.000 TRP 54 1.040 43.552 17.396 28.839 -99.200 -91.000 TRP6 54 1.020 44.580 19.380 29.605 -99.200 -91.000 HIS 56 0.900 46.989 15.506 31.305 -99.200 -91.000 PHE 70 1.000 19.487 14.141 44.814 -99.200 -91.000 TRP 77 1.040 22.880 20.363 37.037 -99.200 -91.000 TRP6 77 1.020 23.034 21.510 34.969 -99.200 -91.000 TYR 80 0.840 33.428 17.113 31.612 -99.200 -91.000 TYR 95 0.840 20.846 17.762 32.817 -99.200 -91.000 PHE 108 1.000 27.681 14.354 32.883 -99.200 -91.000 PHE 112 1.000 29.060 27.003 29.373 -99.200 -91.000 HIS 122 0.900 44.809 31.154 35.547 -99.200 -91.000 PHE 123 1.000 41.158 23.599 32.715 -99.200 -91.000 PHE 129 1.000 21.729 24.108 39.859 -99.200 -91.000 TYR 134 0.840 17.206 32.641 35.961 -99.200 -91.000 PHE 136 1.000 24.146 33.448 38.702 -99.200 -91.000 PHE 173 1.000 27.337 41.592 28.015 -99.200 -91.000 TRP 184 1.040 24.774 37.684 35.955 -99.200 -91.000 TRP6 184 1.020 22.569 37.988 35.141 -99.200 -91.000 TYR 186 0.840 32.792 42.525 30.434 -99.200 -91.000 TRP 197 1.040 22.804 36.249 56.807 -99.200 -91.000 TRP6 197 1.020 25.025 35.452 56.676 -99.200 -91.000 TRP 202 1.040 28.551 38.045 48.500 -99.200 -91.000 TRP6 202 1.020 29.797 38.855 50.347 -99.200 -91.000 HIS 206 0.900 43.550 30.652 43.174 -99.200 -91.000 TYR 223 0.840 32.332 42.304 38.740 -99.200 -91.000 TRP 225 1.040 42.741 38.683 34.513 -99.200 -91.000 TRP6 225 1.020 44.758 39.259 35.617 -99.200 -91.000 TRP 230 1.040 42.775 45.918 44.161 -99.200 -91.000 TRP6 230 1.020 43.615 47.948 45.048 -99.200 -91.000 TYR 234 0.840 52.468 34.255 39.050 -99.200 -91.000 PHE 237 1.000 60.456 44.062 36.967 -99.200 -91.000 PHE 255 1.000 39.386 41.322 52.777 -99.200 -91.000 TYR 256 0.840 42.349 45.498 47.818 -99.200 -91.000 TRP 257 1.040 43.086 38.101 51.556 -99.200 -91.000 TRP6 257 1.020 41.025 37.474 50.564 -99.200 -91.000 PHE 267 1.000 28.347 33.992 51.940 -99.200 -91.000 TYR 268 0.840 27.783 28.100 61.128 -99.200 -91.000 PHE 273 1.000 29.203 24.011 66.466 -99.200 -91.000 TRP 276 1.040 32.523 29.216 63.728 -99.200 -91.000 TRP6 276 1.020 32.820 26.984 62.984 -99.200 -91.000 PHE 281 1.000 33.708 29.772 59.190 -99.200 -91.000 TYR 323 0.840 29.279 19.485 64.079 -99.200 -91.000 TYR 325 0.840 30.416 18.079 57.293 -99.200 -91.000