============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.605 6.907 18.114 -99.200 -91.000 TRP6 14 1.020 7.346 8.777 18.815 -99.200 -91.000 PHE 19 1.000 12.747 -4.787 2.622 -99.200 -91.000 TRP 37 1.040 23.144 10.794 13.719 -99.200 -91.000 TRP6 37 1.020 24.966 9.293 13.771 -99.200 -91.000 HIS 43 0.900 19.504 -8.506 19.032 -99.200 -91.000 TYR 47 0.840 23.752 -13.408 18.516 -99.200 -91.000 TRP 49 1.040 21.643 -17.170 16.093 -99.200 -91.000 TRP6 49 1.020 19.795 -15.786 16.548 -99.200 -91.000 PHE 53 1.000 22.332 -8.527 8.128 -99.200 -91.000 HIS 65 0.900 -0.847 0.974 9.777 -99.200 -91.000 TYR 70 0.840 7.290 2.232 -2.393 -99.200 -91.000 TYR 84 0.840 29.347 5.640 13.337 -99.200 -91.000 HIS 86 0.900 28.968 0.570 24.072 -99.200 -91.000 TYR 89 0.840 26.596 -6.673 20.511 -99.200 -91.000 TRP 91 1.040 30.075 -10.439 19.784 -99.200 -91.000 TRP6 91 1.020 31.080 -12.550 19.485 -99.200 -91.000 PHE 110 1.000 12.240 15.201 11.362 -99.200 -91.000 TYR 113 0.840 1.224 9.814 7.217 -99.200 -91.000 HIS 115 0.900 8.039 14.768 15.276 -99.200 -91.000 TYR 132 0.840 6.071 5.054 37.426 -99.200 -91.000 TRP 139 1.040 5.672 -3.445 10.745 -99.200 -91.000 TRP6 139 1.020 7.149 -1.604 10.885 -99.200 -91.000 PHE 178 1.000 13.810 -1.013 30.373 -99.200 -91.000 TYR 182 0.840 0.479 -6.600 31.805 -99.200 -91.000 PHE 201 1.000 9.465 -0.272 27.881 -99.200 -91.000 PHE 207 1.000 6.967 14.303 35.929 -99.200 -91.000 TRP 211 1.040 4.436 9.672 22.892 -99.200 -91.000 TRP6 211 1.020 3.646 7.664 23.847 -99.200 -91.000 TYR 212 0.840 11.495 12.403 27.223 -99.200 -91.000 TRP 219 1.040 18.504 -10.210 26.861 -99.200 -91.000 TRP6 219 1.020 17.898 -11.685 28.602 -99.200 -91.000 TYR 229 0.840 8.707 -11.168 34.105 -99.200 -91.000 PHE 231 1.000 15.546 -9.832 31.135 -99.200 -91.000 TYR 232 0.840 11.777 -4.384 26.377 -99.200 -91.000 HIS 234 0.900 18.744 2.438 31.944 -99.200 -91.000 PHE 236 1.000 20.715 8.693 31.913 -99.200 -91.000 TRP 241 1.040 28.862 4.275 21.863 -99.200 -91.000 TRP6 241 1.020 27.020 3.692 20.522 -99.200 -91.000 PHE 249 1.000 32.572 8.847 14.226 -99.200 -91.000