============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 2 0.840 6.313 -6.137 76.611 -99.200 -91.000 HIS 3 0.900 4.756 -13.918 79.298 -99.200 -91.000 TYR 15 0.840 6.450 -11.076 58.145 -99.200 -91.000 TRP 20 1.040 14.617 -2.431 62.349 -99.200 -91.000 TRP6 20 1.020 16.734 -2.678 63.434 -99.200 -91.000 HIS 46 0.900 16.079 -14.239 64.937 -99.200 -91.000 PHE 56 1.000 18.009 -0.299 84.610 -99.200 -91.000 HIS 60 0.900 17.733 2.638 90.553 -99.200 -91.000 TRP 61 1.040 20.100 4.366 80.812 -99.200 -91.000 TRP6 61 1.020 20.598 2.123 80.248 -99.200 -91.000 PHE 71 1.000 32.544 0.689 87.981 -99.200 -91.000 PHE 84 1.000 45.333 -4.627 94.149 -99.200 -91.000 PHE 95 1.000 43.406 -17.325 80.063 -99.200 -91.000 HIS 103 0.900 51.221 -7.039 85.502 -99.200 -91.000 TYR 124 0.840 26.626 -1.036 86.224 -99.200 -91.000 PHE 145 1.000 26.259 -9.651 72.005 -99.200 -91.000 HIS 156 0.900 13.602 -4.050 71.881 -99.200 -91.000 TYR 163 0.840 3.275 -3.611 65.910 -99.200 -91.000 PHE 166 1.000 -2.451 -3.632 71.461 -99.200 -91.000 TRP 191 1.040 45.728 4.862 62.263 -99.200 -91.000 TRP6 191 1.020 45.463 6.873 61.028 -99.200 -91.000 TYR 194 0.840 51.954 4.040 67.123 -99.200 -91.000 TYR 213 0.840 28.364 -11.397 59.464 -99.200 -91.000 HIS 216 0.900 34.250 -9.023 58.902 -99.200 -91.000 TYR 217 0.840 27.863 -1.048 61.616 -99.200 -91.000 HIS 226 0.900 36.264 7.222 62.482 -99.200 -91.000 HIS 227 0.900 38.330 8.703 54.395 -99.200 -91.000 TYR 261 0.840 38.359 -3.768 68.796 -99.200 -91.000 PHE 262 1.000 44.842 -8.264 72.595 -99.200 -91.000 TYR 266 0.840 36.732 -13.823 75.670 -99.200 -91.000 TYR 271 0.840 45.663 -16.895 75.157 -99.200 -91.000 TRP 277 1.040 49.634 -19.158 76.493 -99.200 -91.000 TRP6 277 1.020 48.620 -17.389 77.678 -99.200 -91.000 TYR 296 0.840 43.286 -0.450 80.812 -99.200 -91.000 HIS 297 0.900 43.265 -10.946 79.577 -99.200 -91.000 PHE 317 1.000 44.227 -0.026 93.744 -99.200 -91.000 HIS 323 0.900 34.626 10.654 90.612 -99.200 -91.000 PHE 331 1.000 32.977 -1.893 94.092 -99.200 -91.000 TRP 335 1.040 31.887 -8.869 103.318 -99.200 -91.000 TRP6 335 1.020 29.631 -9.130 102.611 -99.200 -91.000 PHE 353 1.000 25.379 -13.159 103.532 -99.200 -91.000 TYR 359 0.840 34.915 -21.859 95.181 -99.200 -91.000 PHE 366 1.000 17.931 -12.587 96.731 -99.200 -91.000 TRP 380 1.040 5.805 -15.952 68.120 -99.200 -91.000 TRP6 380 1.020 4.132 -15.718 69.780 -99.200 -91.000 HIS 384 0.900 6.569 -15.036 83.499 -99.200 -91.000 PHE 392 1.000 29.277 -1.939 74.919 -99.200 -91.000 TYR 395 0.840 41.213 6.145 80.598 -99.200 -91.000 TYR 410 0.840 21.319 0.996 75.681 -99.200 -91.000 TYR 420 0.840 8.968 -19.514 84.917 -99.200 -91.000 PHE 428 1.000 24.613 -15.880 71.775 -99.200 -91.000 TYR 435 0.840 8.918 2.406 77.939 -99.200 -91.000