============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 2 0.840 -2.008 6.261 -60.211 -99.200 -91.000 PHE 4 1.000 0.698 12.907 -53.258 -99.200 -91.000 TRP 5 1.040 -2.705 10.284 -55.387 -99.200 -91.000 TRP6 5 1.020 -3.582 10.464 -53.202 -99.200 -91.000 HIS 20 0.900 -13.502 -4.830 -43.125 -99.200 -91.000 TYR 35 0.840 5.037 18.072 -45.800 -99.200 -91.000 PHE 41 1.000 3.875 29.547 -57.512 -99.200 -91.000 TRP 43 1.040 2.456 26.305 -47.331 -99.200 -91.000 TRP6 43 1.020 1.150 24.882 -48.692 -99.200 -91.000 TYR 58 0.840 -17.495 34.091 -57.443 -99.200 -91.000 TYR 65 0.840 -13.544 22.895 -57.688 -99.200 -91.000 PHE 73 1.000 -22.013 23.098 -70.512 -99.200 -91.000 PHE 75 1.000 -19.251 21.447 -60.542 -99.200 -91.000 TYR 77 0.840 -18.828 24.503 -55.911 -99.200 -91.000 PHE 81 1.000 -22.907 25.111 -52.612 -99.200 -91.000 TRP 84 1.040 -24.875 24.818 -46.567 -99.200 -91.000 TRP6 84 1.020 -24.960 23.257 -48.342 -99.200 -91.000 TRP 91 1.040 -16.133 27.177 -39.076 -99.200 -91.000 TRP6 91 1.020 -14.413 28.784 -39.208 -99.200 -91.000 TRP 95 1.040 -7.881 21.362 -40.588 -99.200 -91.000 TRP6 95 1.020 -9.497 19.998 -39.526 -99.200 -91.000 HIS 96 0.900 -11.956 27.404 -44.187 -99.200 -91.000 PHE 110 1.000 -9.553 26.723 -50.334 -99.200 -91.000 HIS 119 0.900 -21.758 2.925 -39.511 -99.200 -91.000 TYR 121 0.840 -17.399 -2.134 -45.986 -99.200 -91.000 PHE 132 1.000 -15.491 23.547 -52.361 -99.200 -91.000 HIS 136 0.900 -4.590 31.153 -62.536 -99.200 -91.000 HIS 157 0.900 -1.483 13.023 -40.463 -99.200 -91.000 PHE 162 1.000 -3.235 10.857 -36.563 -99.200 -91.000 TYR 166 0.840 -9.096 10.972 -51.274 -99.200 -91.000 TYR 181 0.840 -21.477 13.823 -60.926 -99.200 -91.000 TRP 182 1.040 -27.275 7.712 -64.061 -99.200 -91.000 TRP6 182 1.020 -28.605 6.521 -65.616 -99.200 -91.000 HIS 183 0.900 -25.813 14.871 -66.261 -99.200 -91.000 PHE 196 1.000 -26.140 19.087 -69.307 -99.200 -91.000 HIS 198 0.900 -27.147 14.633 -79.112 -99.200 -91.000 TYR 212 0.840 -36.083 14.971 -71.428 -99.200 -91.000 HIS 235 0.900 -29.906 13.442 -35.324 -99.200 -91.000 TYR 241 0.840 -32.724 6.142 -47.002 -99.200 -91.000 PHE 245 1.000 -28.093 3.697 -48.365 -99.200 -91.000 HIS 246 0.900 -22.107 -2.337 -46.670 -99.200 -91.000 HIS 258 0.900 -23.577 24.408 -42.033 -99.200 -91.000 TRP 259 1.040 -23.681 19.241 -43.345 -99.200 -91.000 TRP6 259 1.020 -22.384 20.568 -44.821 -99.200 -91.000 PHE 260 1.000 -29.901 17.009 -44.619 -99.200 -91.000 TYR 261 0.840 -33.893 26.665 -41.218 -99.200 -91.000 PHE 270 1.000 -39.509 22.100 -50.913 -99.200 -91.000 PHE 282 1.000 -34.512 14.070 -45.029 -99.200 -91.000 PHE 285 1.000 -34.246 20.845 -54.908 -99.200 -91.000 TYR 286 0.840 -25.147 19.906 -53.924 -99.200 -91.000 HIS 295 0.900 -21.538 31.836 -76.676 -99.200 -91.000 HIS 298 0.900 -24.338 34.518 -74.176 -99.200 -91.000 TYR 305 0.840 -24.996 19.386 -59.209 -99.200 -91.000 PHE 307 1.000 -26.770 17.347 -48.896 -99.200 -91.000 TYR 308 0.840 -26.856 12.791 -47.437 -99.200 -91.000 HIS 311 0.900 -37.720 5.014 -49.547 -99.200 -91.000 PHE 332 1.000 -32.302 24.706 -58.983 -99.200 -91.000 PHE 335 1.000 -33.074 16.753 -58.856 -99.200 -91.000 PHE 346 1.000 -34.068 8.513 -57.913 -99.200 -91.000 PHE 352 1.000 -32.788 11.909 -62.637 -99.200 -91.000 TYR 361 0.840 -18.568 8.895 -53.233 -99.200 -91.000 TYR 362 0.840 -10.294 7.899 -55.172 -99.200 -91.000 TYR 364 0.840 -3.954 10.120 -46.550 -99.200 -91.000 TRP 366 1.040 -11.072 2.185 -42.638 -99.200 -91.000 TRP6 366 1.020 -10.565 2.158 -40.327 -99.200 -91.000