============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 11 1.040 -8.735 6.219 32.919 -99.200 -91.000 TRP6 11 1.020 -6.840 5.035 33.715 -99.200 -91.000 TYR 29 0.840 -4.616 27.796 9.053 -99.200 -91.000 TYR 33 0.840 -10.012 16.348 17.625 -99.200 -91.000 HIS 37 0.900 -19.607 24.585 27.909 -99.200 -91.000 HIS 41 0.900 -4.100 25.672 27.248 -99.200 -91.000 HIS 53 0.900 -13.169 25.601 31.281 -99.200 -91.000 TYR 109 0.840 -33.155 24.293 24.138 -99.200 -91.000 HIS 110 0.900 -29.458 21.904 24.024 -99.200 -91.000 TYR 137 0.840 -21.354 16.037 21.201 -99.200 -91.000 PHE 152 1.000 -24.569 32.526 7.660 -99.200 -91.000 PHE 157 1.000 -32.014 30.138 16.266 -99.200 -91.000 TYR 167 0.840 -38.570 16.154 22.681 -99.200 -91.000 HIS 168 0.900 -35.060 19.320 24.430 -99.200 -91.000 PHE 170 1.000 -45.258 16.737 27.419 -99.200 -91.000 TYR 175 0.840 -39.189 11.048 32.863 -99.200 -91.000 TYR 176 0.840 -35.693 14.592 33.229 -99.200 -91.000 TYR 183 0.840 -39.564 31.089 21.052 -99.200 -91.000 PHE 217 1.000 5.353 23.035 10.271 -99.200 -91.000 PHE 220 1.000 -6.556 18.715 12.723 -99.200 -91.000 HIS 232 0.900 -13.629 2.746 20.163 -99.200 -91.000 TYR 235 0.840 -21.354 1.815 28.369 -99.200 -91.000 TYR 237 0.840 -17.969 3.374 36.505 -99.200 -91.000 TYR 258 0.840 -5.490 14.213 2.811 -99.200 -91.000 TYR 261 0.840 4.441 12.955 16.153 -99.200 -91.000 TYR 269 0.840 1.858 10.883 39.116 -99.200 -91.000 PHE 278 1.000 -6.003 4.615 39.029 -99.200 -91.000 PHE 283 1.000 -7.097 1.335 46.960 -99.200 -91.000 PHE 289 1.000 7.073 10.360 47.158 -99.200 -91.000 PHE 297 1.000 -4.230 21.208 45.867 -99.200 -91.000 TRP 309 1.040 3.110 1.469 41.546 -99.200 -91.000 TRP6 309 1.020 4.850 2.957 42.162 -99.200 -91.000 PHE 327 1.000 3.678 6.882 24.711 -99.200 -91.000 TYR 347 0.840 -4.945 -4.669 33.321 -99.200 -91.000 TRP 365 1.040 -12.136 -3.715 32.969 -99.200 -91.000 TRP6 365 1.020 -10.184 -2.442 32.545 -99.200 -91.000 TYR 372 0.840 1.940 -2.835 40.042 -99.200 -91.000 TRP 378 1.040 14.659 9.196 39.635 -99.200 -91.000 TRP6 378 1.020 13.258 7.704 38.456 -99.200 -91.000 PHE 383 1.000 10.441 21.317 38.897 -99.200 -91.000 TYR 398 0.840 9.339 5.057 34.941 -99.200 -91.000 PHE 429 1.000 3.496 21.281 14.196 -99.200 -91.000