============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 14.978 -0.680 26.742 -99.200 -91.000 PHE 6 1.000 21.450 -2.513 23.699 -99.200 -91.000 PHE 32 1.000 15.958 7.423 10.535 -99.200 -91.000 TYR 62 0.840 5.296 22.245 21.138 -99.200 -91.000 HIS 63 0.900 4.899 19.252 16.696 -99.200 -91.000 HIS 80 0.900 1.796 2.078 20.588 -99.200 -91.000 PHE 82 1.000 -5.596 9.772 16.804 -99.200 -91.000 TRP 85 1.040 4.398 1.876 14.908 -99.200 -91.000 TRP6 85 1.020 5.558 1.199 12.971 -99.200 -91.000 TYR 96 0.840 15.255 20.607 19.377 -99.200 -91.000 PHE 112 1.000 3.662 24.768 25.714 -99.200 -91.000 HIS 126 0.900 0.474 6.103 32.174 -99.200 -91.000 PHE 136 1.000 10.074 19.286 29.867 -99.200 -91.000 TYR 142 0.840 27.460 24.936 18.902 -99.200 -91.000 TRP 159 1.040 13.408 20.419 34.867 -99.200 -91.000 TRP6 159 1.020 13.203 21.670 32.891 -99.200 -91.000 PHE 167 1.000 8.900 4.851 32.898 -99.200 -91.000 PHE 180 1.000 16.130 4.809 25.568 -99.200 -91.000 PHE 188 1.000 30.910 24.200 26.744 -99.200 -91.000 PHE 204 1.000 17.137 8.379 33.372 -99.200 -91.000 TYR 207 0.840 21.858 5.946 30.606 -99.200 -91.000 PHE 222 1.000 30.837 12.160 12.605 -99.200 -91.000 PHE 227 1.000 33.730 15.583 24.428 -99.200 -91.000 HIS 238 0.900 25.759 3.846 24.332 -99.200 -91.000 TYR 239 0.840 16.835 8.778 20.574 -99.200 -91.000 PHE 260 1.000 22.163 6.979 14.532 -99.200 -91.000 PHE 275 1.000 18.784 11.629 2.231 -99.200 -91.000 TRP 277 1.040 22.787 2.322 -1.540 -99.200 -91.000 TRP6 277 1.020 23.263 2.253 0.771 -99.200 -91.000 PHE 288 1.000 18.041 13.403 -11.228 -99.200 -91.000 HIS 300 0.900 17.812 -4.741 -2.176 -99.200 -91.000 TRP 307 1.040 5.495 4.289 -9.962 -99.200 -91.000 TRP6 307 1.020 5.046 3.240 -7.911 -99.200 -91.000 TYR 311 0.840 4.666 8.563 -12.117 -99.200 -91.000 HIS 313 0.900 12.019 16.230 -13.392 -99.200 -91.000 HIS 314 0.900 4.150 14.574 -14.331 -99.200 -91.000 HIS 330 0.900 14.865 5.862 -2.500 -99.200 -91.000 PHE 334 1.000 20.174 5.443 0.929 -99.200 -91.000 TYR 335 0.840 18.007 8.437 6.437 -99.200 -91.000 PHE 351 1.000 30.017 0.658 11.177 -99.200 -91.000 PHE 354 1.000 28.016 0.202 5.115 -99.200 -91.000 PHE 358 1.000 27.418 6.085 3.541 -99.200 -91.000 TYR 362 0.840 25.585 9.782 1.065 -99.200 -91.000 PHE 363 1.000 30.824 11.932 2.474 -99.200 -91.000