============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 2 0.840 14.924 30.393 -10.959 -99.200 -91.000 TYR 10 0.840 23.045 15.525 -0.782 -99.200 -91.000 TRP 11 1.040 25.117 10.384 -1.839 -99.200 -91.000 TRP6 11 1.020 26.844 11.768 -1.022 -99.200 -91.000 PHE 26 1.000 11.642 29.928 3.654 -99.200 -91.000 HIS 30 0.900 10.524 25.627 0.083 -99.200 -91.000 HIS 37 0.900 9.238 16.048 -4.827 -99.200 -91.000 HIS 40 0.900 18.898 10.774 -1.506 -99.200 -91.000 TYR 41 0.840 12.845 6.304 5.702 -99.200 -91.000 TRP 47 1.040 10.211 23.956 19.100 -99.200 -91.000 TRP6 47 1.020 11.012 24.652 21.220 -99.200 -91.000 HIS 52 0.900 3.097 27.366 5.393 -99.200 -91.000 PHE 58 1.000 7.311 17.939 5.605 -99.200 -91.000 PHE 62 1.000 7.486 17.007 11.598 -99.200 -91.000 HIS 63 0.900 11.194 10.607 14.537 -99.200 -91.000 HIS 82 0.900 25.070 12.157 3.327 -99.200 -91.000 PHE 84 1.000 21.326 18.020 3.896 -99.200 -91.000 PHE 95 1.000 13.044 35.472 18.053 -99.200 -91.000 HIS 100 0.900 20.892 40.663 21.346 -99.200 -91.000 TYR 105 0.840 19.617 27.156 27.349 -99.200 -91.000 PHE 112 1.000 28.250 24.179 20.896 -99.200 -91.000 PHE 126 1.000 25.672 18.269 11.835 -99.200 -91.000 PHE 127 1.000 23.870 23.227 5.112 -99.200 -91.000 TYR 128 0.840 25.488 25.729 12.051 -99.200 -91.000 TYR 135 0.840 30.323 37.226 6.449 -99.200 -91.000 PHE 138 1.000 35.359 44.963 12.151 -99.200 -91.000 TRP 154 1.040 36.684 33.640 12.103 -99.200 -91.000 TRP6 154 1.020 36.311 33.549 14.431 -99.200 -91.000 TYR 162 0.840 20.805 34.029 13.813 -99.200 -91.000 HIS 175 0.900 38.275 23.351 16.519 -99.200 -91.000 TYR 176 0.840 31.829 17.350 17.684 -99.200 -91.000 PHE 180 1.000 35.495 13.945 17.854 -99.200 -91.000 PHE 189 1.000 21.049 28.609 4.559 -99.200 -91.000 HIS 190 0.900 25.149 36.556 2.591 -99.200 -91.000 TYR 193 0.840 13.230 36.180 -1.912 -99.200 -91.000 PHE 196 1.000 5.602 25.642 1.308 -99.200 -91.000 TRP 199 1.040 2.270 34.612 5.908 -99.200 -91.000 TRP6 199 1.020 0.369 35.982 6.323 -99.200 -91.000 PHE 210 1.000 10.049 46.207 3.061 -99.200 -91.000 PHE 221 1.000 5.640 49.070 2.217 -99.200 -91.000 TRP 224 1.040 10.087 48.423 11.778 -99.200 -91.000 TRP6 224 1.020 10.557 46.154 12.154 -99.200 -91.000 PHE 233 1.000 16.159 41.361 0.974 -99.200 -91.000 PHE 235 1.000 12.054 31.700 -5.093 -99.200 -91.000 PHE 251 1.000 35.884 25.316 0.584 -99.200 -91.000 PHE 275 1.000 6.053 41.735 -7.461 -99.200 -91.000 HIS 283 0.900 4.836 57.104 8.722 -99.200 -91.000 HIS 284 0.900 11.199 55.983 4.552 -99.200 -91.000 TRP 307 1.040 24.646 26.941 -8.751 -99.200 -91.000 TRP6 307 1.020 23.920 27.746 -6.638 -99.200 -91.000 TYR 321 0.840 2.101 41.167 -3.934 -99.200 -91.000 PHE 322 1.000 0.668 38.070 -7.563 -99.200 -91.000 TRP 323 1.040 2.713 30.393 -0.314 -99.200 -91.000 TRP6 323 1.020 3.342 31.106 1.847 -99.200 -91.000 TYR 341 0.840 -2.556 39.830 8.848 -99.200 -91.000