============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TRP 5 1.040 10.645 26.951 23.757 -99.200 -91.000 TRP6 5 1.020 11.032 26.899 26.082 -99.200 -91.000 HIS 7 0.900 17.245 18.931 19.900 -99.200 -91.000 PHE 8 1.000 14.248 18.283 15.716 -99.200 -91.000 TRP 15 1.040 9.553 16.276 9.123 -99.200 -91.000 TRP6 15 1.020 9.205 16.238 11.450 -99.200 -91.000 PHE 23 1.000 -2.213 20.819 14.544 -99.200 -91.000 PHE 38 1.000 20.730 18.308 23.638 -99.200 -91.000 PHE 45 1.000 8.819 21.965 28.791 -99.200 -91.000 HIS 63 0.900 16.772 7.558 26.538 -99.200 -91.000 TRP 65 1.040 17.509 16.360 28.585 -99.200 -91.000 TRP6 65 1.020 16.844 18.092 27.123 -99.200 -91.000 TYR 81 0.840 -3.704 13.715 26.124 -99.200 -91.000 TYR 86 0.840 2.127 6.305 19.118 -99.200 -91.000 PHE 98 1.000 10.860 10.226 25.404 -99.200 -91.000 PHE 100 1.000 10.917 8.935 36.583 -99.200 -91.000 PHE 110 1.000 12.182 11.544 14.769 -99.200 -91.000 TYR 118 0.840 33.022 5.024 6.011 -99.200 -91.000 TYR 122 0.840 39.349 13.844 2.910 -99.200 -91.000 TRP 130 1.040 44.034 1.659 17.930 -99.200 -91.000 TRP6 130 1.020 42.970 3.741 18.257 -99.200 -91.000 PHE 133 1.000 40.344 5.921 14.014 -99.200 -91.000 PHE 146 1.000 42.305 19.406 11.428 -99.200 -91.000 PHE 148 1.000 38.294 10.483 15.668 -99.200 -91.000 TYR 150 0.840 36.208 12.341 20.324 -99.200 -91.000 TYR 156 0.840 25.269 11.139 23.471 -99.200 -91.000 PHE 157 1.000 29.399 13.897 20.488 -99.200 -91.000 PHE 159 1.000 28.416 4.376 28.040 -99.200 -91.000 PHE 161 1.000 36.423 6.581 22.500 -99.200 -91.000 PHE 162 1.000 34.700 7.275 30.741 -99.200 -91.000 PHE 165 1.000 39.971 1.599 27.694 -99.200 -91.000 PHE 171 1.000 23.632 6.413 37.728 -99.200 -91.000 PHE 197 1.000 41.144 5.614 22.967 -99.200 -91.000 PHE 203 1.000 47.809 16.019 26.017 -99.200 -91.000 TYR 205 0.840 46.990 6.487 20.360 -99.200 -91.000 TYR 214 0.840 28.147 18.728 17.138 -99.200 -91.000 PHE 221 1.000 32.151 13.724 7.834 -99.200 -91.000 TRP 234 1.040 23.682 14.782 16.382 -99.200 -91.000 TRP6 234 1.020 23.808 12.844 17.720 -99.200 -91.000 TYR 239 0.840 27.861 15.493 8.791 -99.200 -91.000 PHE 246 1.000 25.969 10.443 5.156 -99.200 -91.000 PHE 251 1.000 36.386 5.692 17.230 -99.200 -91.000 TRP 261 1.040 32.703 3.012 20.480 -99.200 -91.000 TRP6 261 1.020 30.918 3.025 18.917 -99.200 -91.000 PHE 264 1.000 25.542 6.952 27.709 -99.200 -91.000 TYR 275 0.840 2.692 23.608 35.437 -99.200 -91.000 PHE 285 1.000 2.783 20.596 15.415 -99.200 -91.000 PHE 298 1.000 13.474 14.684 12.306 -99.200 -91.000 PHE 324 1.000 23.630 6.020 12.736 -99.200 -91.000 PHE 328 1.000 20.451 2.967 16.501 -99.200 -91.000 TRP 344 1.040 24.138 13.898 31.291 -99.200 -91.000 TRP6 344 1.020 24.974 12.143 29.950 -99.200 -91.000 TRP 347 1.040 31.544 10.706 32.165 -99.200 -91.000 TRP6 347 1.020 29.713 9.534 31.278 -99.200 -91.000