============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 33 0.840 -18.380 18.661 37.023 -99.200 -91.000 HIS 38 0.900 -12.004 21.551 37.566 -99.200 -91.000 TYR 39 0.840 -4.423 21.137 34.609 -99.200 -91.000 TYR 40 0.840 -7.820 17.596 41.400 -99.200 -91.000 PHE 42 1.000 -3.019 12.853 43.558 -99.200 -91.000 PHE 59 1.000 3.920 11.966 34.536 -99.200 -91.000 PHE 68 1.000 -0.821 13.577 20.717 -99.200 -91.000 TYR 91 0.840 -0.180 7.077 -0.325 -99.200 -91.000 TRP 92 1.040 8.320 1.802 1.305 -99.200 -91.000 TRP6 92 1.020 8.485 0.340 3.166 -99.200 -91.000 TRP 100 1.040 3.301 -6.176 1.825 -99.200 -91.000 TRP6 100 1.020 2.480 -4.870 3.614 -99.200 -91.000 TYR 111 0.840 -4.368 -1.137 15.728 -99.200 -91.000 PHE 133 1.000 8.683 -6.770 10.284 -99.200 -91.000 TYR 134 0.840 6.649 -3.180 7.516 -99.200 -91.000 TRP 137 1.040 3.295 -9.956 7.907 -99.200 -91.000 TRP6 137 1.020 1.487 -9.101 6.637 -99.200 -91.000 TRP 141 1.040 -6.141 -14.910 11.021 -99.200 -91.000 TRP6 141 1.020 -4.758 -13.971 12.692 -99.200 -91.000 TYR 149 0.840 -2.477 -1.985 20.391 -99.200 -91.000 PHE 157 1.000 -2.681 5.852 8.753 -99.200 -91.000 TYR 169 0.840 4.860 10.752 12.494 -99.200 -91.000 HIS 185 0.900 5.928 23.691 27.705 -99.200 -91.000 TRP 187 1.040 8.664 18.582 24.406 -99.200 -91.000 TRP6 187 1.020 9.155 20.708 23.511 -99.200 -91.000 HIS 197 0.900 10.060 21.710 33.732 -99.200 -91.000 TYR 198 0.840 11.878 12.133 29.578 -99.200 -91.000 TRP 200 1.040 15.271 9.769 35.928 -99.200 -91.000 TRP6 200 1.020 16.378 8.601 34.188 -99.200 -91.000 TYR 202 0.840 11.619 5.650 39.454 -99.200 -91.000 TYR 220 0.840 7.695 2.569 20.719 -99.200 -91.000 TRP 232 1.040 -4.579 14.398 22.320 -99.200 -91.000 TRP6 232 1.020 -4.471 15.103 20.056 -99.200 -91.000 TYR 258 0.840 -12.548 4.857 9.959 -99.200 -91.000 TRP 259 1.040 -12.080 -2.122 10.560 -99.200 -91.000 TRP6 259 1.020 -12.676 -3.587 8.806 -99.200 -91.000 TYR 265 0.840 -19.278 0.301 17.567 -99.200 -91.000 TRP 270 1.040 -8.935 9.506 19.731 -99.200 -91.000 TRP6 270 1.020 -8.301 9.711 22.002 -99.200 -91.000 TRP 275 1.040 -22.443 7.233 28.880 -99.200 -91.000 TRP6 275 1.020 -21.167 6.282 30.636 -99.200 -91.000 TRP 311 1.040 -14.981 4.550 27.996 -99.200 -91.000 TRP6 311 1.020 -15.151 5.291 30.239 -99.200 -91.000 HIS 313 0.900 -11.102 2.854 26.453 -99.200 -91.000 PHE 321 1.000 7.627 7.568 32.359 -99.200 -91.000 TYR 324 0.840 -8.138 4.662 30.598 -99.200 -91.000 PHE 327 1.000 -12.421 11.926 24.321 -99.200 -91.000 TYR 343 0.840 -1.517 2.139 37.230 -99.200 -91.000 TYR 353 0.840 -17.845 2.972 34.632 -99.200 -91.000 HIS 354 0.900 -14.406 2.608 41.052 -99.200 -91.000