============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 4 1.000 -8.327 34.305 -1.794 -99.200 -91.000 TYR 15 0.840 -9.753 27.673 15.679 -99.200 -91.000 TYR 19 0.840 -5.384 23.446 1.318 -99.200 -91.000 HIS 53 0.900 2.949 44.657 17.650 -99.200 -91.000 HIS 64 0.900 -20.428 32.897 6.920 -99.200 -91.000 TYR 70 0.840 -13.572 29.329 2.432 -99.200 -91.000 PHE 73 1.000 -5.202 34.625 9.726 -99.200 -91.000 PHE 75 1.000 3.443 31.521 2.597 -99.200 -91.000 HIS 77 0.900 8.154 32.436 2.069 -99.200 -91.000 PHE 83 1.000 15.495 29.300 13.051 -99.200 -91.000 TYR 100 0.840 13.339 34.302 16.062 -99.200 -91.000 PHE 102 1.000 12.661 43.906 23.148 -99.200 -91.000 PHE 110 1.000 -1.649 45.872 19.052 -99.200 -91.000 HIS 112 0.900 -1.300 39.284 26.950 -99.200 -91.000 HIS 114 0.900 -5.480 47.084 21.315 -99.200 -91.000 HIS 118 0.900 -2.273 32.309 20.199 -99.200 -91.000 PHE 139 1.000 -2.343 37.203 20.443 -99.200 -91.000 TRP 150 1.040 3.884 18.446 24.751 -99.200 -91.000 TRP6 150 1.020 5.543 18.131 23.090 -99.200 -91.000 TYR 151 0.840 4.488 24.446 23.797 -99.200 -91.000 TYR 161 0.840 -15.524 32.777 34.441 -99.200 -91.000 TYR 162 0.840 -8.409 30.539 30.231 -99.200 -91.000 TRP 169 1.040 2.688 27.702 31.811 -99.200 -91.000 TRP6 169 1.020 3.454 27.418 34.042 -99.200 -91.000 PHE 175 1.000 13.869 32.696 27.740 -99.200 -91.000 PHE 185 1.000 7.039 22.403 32.784 -99.200 -91.000 PHE 195 1.000 -0.169 14.278 39.110 -99.200 -91.000 PHE 198 1.000 0.929 19.825 40.252 -99.200 -91.000 TRP 209 1.040 -2.250 29.720 42.314 -99.200 -91.000 TRP6 209 1.020 -2.236 28.197 40.507 -99.200 -91.000 TYR 218 0.840 -5.311 21.128 45.362 -99.200 -91.000 PHE 222 1.000 -3.742 17.665 41.871 -99.200 -91.000 TRP 225 1.040 6.569 14.560 42.452 -99.200 -91.000 TRP6 225 1.020 4.427 14.464 41.464 -99.200 -91.000 PHE 230 1.000 13.147 28.427 36.955 -99.200 -91.000 HIS 250 0.900 6.900 34.211 40.077 -99.200 -91.000 TYR 251 0.840 3.213 25.961 40.320 -99.200 -91.000 HIS 265 0.900 14.626 40.034 33.672 -99.200 -91.000 PHE 267 1.000 17.396 36.855 28.267 -99.200 -91.000 PHE 268 1.000 13.695 40.488 26.753 -99.200 -91.000 HIS 277 0.900 21.618 29.791 6.137 -99.200 -91.000