============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 4 1.000 -25.009 3.814 -33.662 -99.200 -91.000 TYR 5 0.840 -24.102 -1.406 -28.107 -99.200 -91.000 TRP 9 1.040 -25.903 9.421 -36.675 -99.200 -91.000 TRP6 9 1.020 -27.137 10.448 -34.925 -99.200 -91.000 TYR 18 0.840 -25.813 6.333 -58.847 -99.200 -91.000 HIS 23 0.900 -25.417 15.384 -60.818 -99.200 -91.000 PHE 26 1.000 -17.651 19.806 -66.374 -99.200 -91.000 PHE 34 1.000 -6.946 6.725 -61.673 -99.200 -91.000 TYR 41 0.840 -10.751 13.080 -49.907 -99.200 -91.000 HIS 43 0.900 -17.367 11.543 -46.892 -99.200 -91.000 TYR 45 0.840 -9.798 3.325 -45.903 -99.200 -91.000 PHE 63 1.000 -1.546 4.021 -45.474 -99.200 -91.000 PHE 103 1.000 8.686 9.101 -56.605 -99.200 -91.000 TRP 106 1.040 9.956 1.787 -54.650 -99.200 -91.000 TRP6 106 1.020 9.100 0.042 -55.999 -99.200 -91.000 TRP 113 1.040 10.374 -10.006 -59.114 -99.200 -91.000 TRP6 113 1.020 11.495 -10.949 -60.965 -99.200 -91.000 TYR 120 0.840 6.401 1.417 -63.599 -99.200 -91.000 HIS 121 0.900 -1.155 4.404 -62.958 -99.200 -91.000 PHE 124 1.000 7.347 12.487 -66.035 -99.200 -91.000 PHE 140 1.000 11.271 5.230 -62.889 -99.200 -91.000 PHE 148 1.000 10.956 -6.678 -60.528 -99.200 -91.000 TYR 155 0.840 0.365 10.115 -60.309 -99.200 -91.000 HIS 157 0.900 -2.699 16.484 -56.909 -99.200 -91.000 PHE 158 1.000 -2.810 20.234 -63.208 -99.200 -91.000 TYR 168 0.840 3.099 26.800 -59.224 -99.200 -91.000 PHE 169 1.000 -4.446 24.198 -64.736 -99.200 -91.000 TYR 172 0.840 -1.591 21.807 -70.723 -99.200 -91.000 PHE 175 1.000 1.689 15.283 -67.292 -99.200 -91.000 TRP 181 1.040 11.903 15.847 -70.360 -99.200 -91.000 TRP6 181 1.020 11.689 16.326 -68.061 -99.200 -91.000 PHE 184 1.000 15.235 10.046 -72.081 -99.200 -91.000 PHE 189 1.000 -5.702 5.307 -67.371 -99.200 -91.000 HIS 191 0.900 -3.414 9.038 -63.424 -99.200 -91.000 PHE 201 1.000 -8.224 25.522 -64.629 -99.200 -91.000 PHE 206 1.000 -3.247 15.537 -70.361 -99.200 -91.000 TYR 216 0.840 -15.110 11.679 -50.546 -99.200 -91.000 PHE 227 1.000 -14.883 30.312 -60.077 -99.200 -91.000 PHE 230 1.000 -21.382 19.091 -61.835 -99.200 -91.000 HIS 238 0.900 -26.599 14.621 -38.043 -99.200 -91.000 HIS 242 0.900 -27.178 16.490 -16.877 -99.200 -91.000 TYR 253 0.840 -10.612 18.739 -18.194 -99.200 -91.000 TYR 257 0.840 -19.833 30.018 -20.953 -99.200 -91.000 TRP 263 1.040 -32.683 26.340 -19.582 -99.200 -91.000 TRP6 263 1.020 -33.299 24.474 -18.281 -99.200 -91.000 TYR 271 0.840 -9.146 16.159 -26.399 -99.200 -91.000 TRP 275 1.040 -16.509 19.323 -32.325 -99.200 -91.000 TRP6 275 1.020 -17.503 19.809 -34.422 -99.200 -91.000 PHE 282 1.000 -18.806 25.766 -35.895 -99.200 -91.000 PHE 301 1.000 -19.444 19.731 -28.615 -99.200 -91.000 HIS 304 0.900 -26.080 30.245 -23.048 -99.200 -91.000 TYR 324 0.840 -25.186 22.154 -45.184 -99.200 -91.000 TYR 333 0.840 -14.960 29.081 -34.221 -99.200 -91.000 TYR 339 0.840 -9.522 18.945 -49.935 -99.200 -91.000 PHE 347 1.000 -10.061 4.652 -39.414 -99.200 -91.000 PHE 353 1.000 -21.459 3.960 -44.697 -99.200 -91.000 TYR 364 0.840 -13.942 1.796 -40.094 -99.200 -91.000