============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 7 0.840 60.049 80.693 60.741 -99.200 -91.000 HIS 8 0.900 59.337 83.419 52.007 -99.200 -91.000 HIS 28 0.900 57.031 78.948 48.878 -99.200 -91.000 HIS 37 0.900 35.972 67.069 33.324 -99.200 -91.000 TRP 60 1.040 30.390 50.286 13.188 -99.200 -91.000 TRP6 60 1.020 32.159 49.467 14.525 -99.200 -91.000 TRP 76 1.040 37.788 51.818 16.690 -99.200 -91.000 TRP6 76 1.020 37.226 50.536 14.789 -99.200 -91.000 TYR 78 0.840 38.226 57.075 23.134 -99.200 -91.000 TYR 91 0.840 13.584 39.953 13.041 -99.200 -91.000 PHE 95 1.000 26.056 41.167 18.051 -99.200 -91.000 TYR 98 0.840 26.501 43.915 21.858 -99.200 -91.000 PHE 111 1.000 35.951 47.678 11.081 -99.200 -91.000 PHE 114 1.000 36.040 41.020 2.982 -99.200 -91.000 PHE 117 1.000 29.878 33.957 1.970 -99.200 -91.000 TRP 123 1.040 23.490 34.429 -0.956 -99.200 -91.000 TRP6 123 1.020 24.879 32.783 0.010 -99.200 -91.000 HIS 126 0.900 18.530 29.232 -1.712 -99.200 -91.000 TYR 137 0.840 17.694 54.314 4.397 -99.200 -91.000 PHE 138 1.000 15.447 58.966 5.343 -99.200 -91.000 PHE 143 1.000 17.669 41.717 7.623 -99.200 -91.000 TYR 144 0.840 19.978 43.782 11.493 -99.200 -91.000 TRP 149 1.040 15.287 37.006 6.335 -99.200 -91.000 TRP6 149 1.020 13.698 38.285 7.528 -99.200 -91.000 TYR 157 0.840 16.098 28.270 1.914 -99.200 -91.000 TYR 164 0.840 36.549 35.485 2.718 -99.200 -91.000 TRP 176 1.040 26.622 32.931 11.543 -99.200 -91.000 TRP6 176 1.020 28.830 32.885 12.377 -99.200 -91.000 HIS 179 0.900 13.430 34.319 11.260 -99.200 -91.000 HIS 180 0.900 16.560 30.588 16.325 -99.200 -91.000 TYR 191 0.840 13.840 30.785 6.703 -99.200 -91.000 TYR 197 0.840 21.471 21.503 7.548 -99.200 -91.000 TYR 205 0.840 31.798 29.183 14.952 -99.200 -91.000 PHE 209 1.000 24.536 28.116 14.937 -99.200 -91.000 TYR 228 0.840 21.146 39.792 15.099 -99.200 -91.000 TYR 229 0.840 24.597 32.403 16.593 -99.200 -91.000 TRP 230 1.040 31.004 37.692 17.896 -99.200 -91.000 TRP6 230 1.020 33.280 37.435 18.491 -99.200 -91.000 PHE 241 1.000 28.944 31.466 7.028 -99.200 -91.000 TRP 251 1.040 25.550 41.865 0.644 -99.200 -91.000 TRP6 251 1.020 23.914 43.563 0.516 -99.200 -91.000 TYR 252 0.840 28.917 45.018 1.797 -99.200 -91.000 PHE 254 1.000 32.400 45.226 9.289 -99.200 -91.000 HIS 272 0.900 35.637 69.902 20.694 -99.200 -91.000 HIS 282 0.900 31.993 63.057 34.609 -99.200 -91.000 PHE 291 1.000 48.162 59.193 44.685 -99.200 -91.000 HIS 295 0.900 33.785 57.999 35.267 -99.200 -91.000 TYR 305 0.840 37.800 57.099 41.496 -99.200 -91.000