============================================================================= 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 17 0.840 90.197 10.891 4.667 -99.200 -91.000 PHE 31 1.000 100.395 17.176 -9.869 -99.200 -91.000 TYR 32 0.840 96.871 15.208 -6.784 -99.200 -91.000 HIS 39 0.900 98.285 2.221 -7.798 -99.200 -91.000 TYR 42 0.840 82.960 5.680 -6.229 -99.200 -91.000 TYR 49 0.840 86.111 8.975 -2.544 -99.200 -91.000 PHE 53 1.000 103.225 -1.001 -5.313 -99.200 -91.000 PHE 56 1.000 95.094 -1.443 6.442 -99.200 -91.000 HIS 58 0.900 87.464 3.961 -0.553 -99.200 -91.000 HIS 59 0.900 89.448 7.836 1.289 -99.200 -91.000 PHE 76 1.000 95.909 14.019 12.198 -99.200 -91.000 TYR 90 0.840 91.577 16.349 23.991 -99.200 -91.000 TYR 91 0.840 89.759 18.214 18.772 -99.200 -91.000 PHE 105 1.000 81.845 14.715 8.292 -99.200 -91.000 PHE 121 1.000 95.793 24.365 10.312 -99.200 -91.000 TYR 123 0.840 94.128 18.507 13.354 -99.200 -91.000 PHE 125 1.000 90.865 13.851 15.656 -99.200 -91.000 PHE 126 1.000 89.725 7.330 9.172 -99.200 -91.000 PHE 127 1.000 88.731 0.890 13.995 -99.200 -91.000 HIS 131 0.900 90.427 -3.139 6.366 -99.200 -91.000 HIS 136 0.900 102.131 -5.993 0.304 -99.200 -91.000 TYR 139 0.840 107.093 -5.685 -6.178 -99.200 -91.000 TYR 142 0.840 107.574 0.100 -7.645 -99.200 -91.000 HIS 152 0.900 105.448 14.883 6.078 -99.200 -91.000 PHE 153 1.000 97.398 15.116 7.072 -99.200 -91.000 TYR 166 0.840 95.397 21.298 19.361 -99.200 -91.000 PHE 172 1.000 99.498 14.458 16.641 -99.200 -91.000 TYR 186 0.840 111.902 31.346 16.536 -99.200 -91.000 TRP 189 1.040 109.504 18.707 10.926 -99.200 -91.000 TRP6 189 1.020 110.419 20.844 11.327 -99.200 -91.000 HIS 191 0.900 106.340 9.609 16.956 -99.200 -91.000 HIS 197 0.900 107.122 15.284 9.329 -99.200 -91.000 HIS 210 0.900 104.969 24.568 3.101 -99.200 -91.000 HIS 211 0.900 104.936 19.834 3.251 -99.200 -91.000 PHE 214 1.000 100.517 10.893 -1.200 -99.200 -91.000 HIS 217 0.900 108.791 0.640 -2.229 -99.200 -91.000 HIS 220 0.900 115.250 3.706 -7.756 -99.200 -91.000 HIS 245 0.900 113.456 19.565 3.717 -99.200 -91.000 PHE 251 1.000 116.850 12.633 -2.905 -99.200 -91.000 TYR 252 0.840 114.114 19.138 -0.201 -99.200 -91.000 TYR 254 0.840 108.908 20.268 -0.004 -99.200 -91.000 HIS 261 0.900 95.102 22.339 -2.961 -99.200 -91.000 TYR 266 0.840 109.201 11.240 3.426 -99.200 -91.000 TYR 270 0.840 115.003 10.218 12.571 -99.200 -91.000 TYR 271 0.840 111.536 2.916 16.676 -99.200 -91.000 TRP 282 1.040 117.622 20.382 13.116 -99.200 -91.000 TRP6 282 1.020 119.482 19.883 11.726 -99.200 -91.000 HIS 285 0.900 120.437 33.247 14.153 -99.200 -91.000 TRP 292 1.040 123.488 16.982 5.119 -99.200 -91.000 TRP6 292 1.020 123.815 17.405 7.434 -99.200 -91.000 TRP 293 1.040 122.781 17.416 -0.186 -99.200 -91.000 TRP6 293 1.020 121.297 16.565 -1.840 -99.200 -91.000 TRP 301 1.040 108.999 24.625 0.586 -99.200 -91.000 TRP6 301 1.020 109.532 24.627 2.895 -99.200 -91.000 TYR 302 0.840 111.396 29.355 3.267 -99.200 -91.000