============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 5 0.900 42.941 16.341 7.647 -99.200 -91.000 TYR 15 0.840 50.685 2.931 27.712 -99.200 -91.000 PHE 18 1.000 51.038 10.442 23.023 -99.200 -91.000 TYR 22 0.840 44.211 8.444 31.932 -99.200 -91.000 TYR 35 0.840 33.214 23.487 35.625 -99.200 -91.000 TYR 38 0.840 32.026 21.178 45.857 -99.200 -91.000 TYR 41 0.840 36.920 22.402 35.373 -99.200 -91.000 TRP 50 1.040 28.983 15.767 21.256 -99.200 -91.000 TRP6 50 1.020 28.383 15.085 19.093 -99.200 -91.000 HIS 51 0.900 29.481 20.500 21.407 -99.200 -91.000 TRP 56 1.040 34.985 13.436 9.474 -99.200 -91.000 TRP6 56 1.020 33.959 11.345 9.083 -99.200 -91.000 HIS 59 0.900 28.205 13.354 2.795 -99.200 -91.000 TYR 66 0.840 45.285 15.268 11.035 -99.200 -91.000 TYR 70 0.840 36.913 25.020 21.661 -99.200 -91.000 PHE 72 1.000 43.332 28.162 14.317 -99.200 -91.000 PHE 76 1.000 37.957 31.380 20.659 -99.200 -91.000 PHE 88 1.000 41.646 26.475 24.608 -99.200 -91.000 PHE 90 1.000 40.759 19.912 33.726 -99.200 -91.000 HIS 95 0.900 48.469 22.259 23.986 -99.200 -91.000 PHE 98 1.000 52.553 16.558 30.427 -99.200 -91.000 TRP 100 1.040 55.267 16.491 24.945 -99.200 -91.000 TRP6 100 1.020 53.835 14.674 24.650 -99.200 -91.000 PHE 107 1.000 41.320 21.085 21.727 -99.200 -91.000 TRP 125 1.040 43.565 9.383 22.418 -99.200 -91.000 TRP6 125 1.020 45.858 9.893 22.405 -99.200 -91.000 TYR 152 0.840 18.421 17.349 13.567 -99.200 -91.000 PHE 156 1.000 24.390 15.956 13.559 -99.200 -91.000 PHE 157 1.000 24.662 11.465 16.260 -99.200 -91.000 HIS 174 0.900 23.132 14.001 26.102 -99.200 -91.000 HIS 180 0.900 25.825 23.609 32.605 -99.200 -91.000 TYR 186 0.840 17.007 22.621 25.116 -99.200 -91.000 TRP 190 1.040 20.459 14.494 29.667 -99.200 -91.000 TRP6 190 1.020 22.305 15.942 29.515 -99.200 -91.000 PHE 197 1.000 30.214 6.425 30.271 -99.200 -91.000 PHE 201 1.000 20.232 9.218 27.500 -99.200 -91.000 TYR 202 0.840 21.506 4.061 27.186 -99.200 -91.000 TRP 210 1.040 11.044 10.640 31.169 -99.200 -91.000 TRP6 210 1.020 12.781 11.927 32.074 -99.200 -91.000 TRP 222 1.040 10.028 15.152 26.259 -99.200 -91.000 TRP6 222 1.020 7.785 14.423 26.364 -99.200 -91.000 TYR 228 0.840 16.816 12.082 37.898 -99.200 -91.000 TYR 235 0.840 9.774 11.400 25.772 -99.200 -91.000 TYR 243 0.840 17.389 6.264 16.961 -99.200 -91.000 TYR 250 0.840 23.447 0.115 24.103 -99.200 -91.000 PHE 257 1.000 26.341 3.062 27.951 -99.200 -91.000 PHE 258 1.000 30.665 0.971 31.715 -99.200 -91.000 PHE 261 1.000 30.626 6.378 25.513 -99.200 -91.000 PHE 265 1.000 34.264 9.581 23.773 -99.200 -91.000 PHE 275 1.000 44.630 6.621 13.512 -99.200 -91.000 PHE 283 1.000 49.900 4.911 22.526 -99.200 -91.000 PHE 285 1.000 46.704 6.724 27.212 -99.200 -91.000