============================================================================= 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 14 1.040 20.050 6.613 17.301 -99.200 -91.000 TRP6 14 1.020 21.258 8.547 16.640 -99.200 -91.000 PHE 19 1.000 15.505 -5.000 32.847 -99.200 -91.000 TRP 37 1.040 5.343 10.586 21.553 -99.200 -91.000 TRP6 37 1.020 3.554 9.046 21.646 -99.200 -91.000 HIS 43 0.900 8.808 -9.118 16.439 -99.200 -91.000 TYR 47 0.840 4.637 -13.728 16.823 -99.200 -91.000 TRP 49 1.040 6.988 -17.045 19.440 -99.200 -91.000 TRP6 49 1.020 8.731 -15.497 19.039 -99.200 -91.000 PHE 53 1.000 6.018 -8.850 27.272 -99.200 -91.000 HIS 65 0.900 29.292 0.628 25.655 -99.200 -91.000 TYR 70 0.840 21.062 1.893 37.755 -99.200 -91.000 TYR 84 0.840 -0.792 5.428 21.995 -99.200 -91.000 HIS 86 0.900 -0.460 0.269 11.234 -99.200 -91.000 TYR 89 0.840 1.959 -7.058 14.870 -99.200 -91.000 TRP 91 1.040 -1.617 -10.678 15.652 -99.200 -91.000 TRP6 91 1.020 -2.666 -12.786 15.987 -99.200 -91.000 PHE 110 1.000 16.228 14.927 24.062 -99.200 -91.000 TYR 113 0.840 27.234 9.452 28.218 -99.200 -91.000 HIS 115 0.900 20.487 14.604 20.425 -99.200 -91.000 TYR 132 0.840 22.583 4.910 -1.833 -99.200 -91.000 TRP 139 1.040 22.745 -3.752 24.713 -99.200 -91.000 TRP6 139 1.020 21.228 -1.946 24.563 -99.200 -91.000 TRP 146 1.040 25.076 -19.142 23.807 -99.200 -91.000 TRP6 146 1.020 23.076 -17.980 23.352 -99.200 -91.000 PHE 178 1.000 14.854 -1.342 5.085 -99.200 -91.000 TYR 182 0.840 28.182 -6.848 3.737 -99.200 -91.000 PHE 201 1.000 19.112 -0.509 7.545 -99.200 -91.000 PHE 207 1.000 21.645 14.205 -0.595 -99.200 -91.000 TRP 211 1.040 24.119 9.424 12.569 -99.200 -91.000 TRP6 211 1.020 24.910 7.428 11.544 -99.200 -91.000 TYR 212 0.840 17.044 12.105 8.203 -99.200 -91.000 TRP 219 1.040 10.176 -10.530 8.541 -99.200 -91.000 TRP6 219 1.020 10.831 -11.976 6.805 -99.200 -91.000 TYR 229 0.840 20.051 -11.409 1.251 -99.200 -91.000 PHE 231 1.000 13.148 -10.094 4.260 -99.200 -91.000 TYR 232 0.840 16.795 -4.692 8.982 -99.200 -91.000 HIS 234 0.900 10.010 1.922 3.375 -99.200 -91.000 PHE 236 1.000 7.886 8.428 3.472 -99.200 -91.000 TRP 241 1.040 -0.283 3.958 13.373 -99.200 -91.000 TRP6 241 1.020 1.558 3.373 14.733 -99.200 -91.000 PHE 249 1.000 -4.010 8.642 20.987 -99.200 -91.000