============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 -9.518 -11.373 13.621 -99.200 -91.000 TYR 7 0.840 -10.001 3.977 9.447 -99.200 -91.000 PHE 8 1.000 -1.871 2.957 12.179 -99.200 -91.000 PHE 9 1.000 -6.904 9.212 10.336 -99.200 -91.000 PHE 22 1.000 -5.585 13.600 6.031 -99.200 -91.000 TYR 27 0.840 -2.292 -0.646 7.789 -99.200 -91.000 PHE 33 1.000 -10.208 -0.804 5.867 -99.200 -91.000 PHE 36 1.000 -7.975 12.324 0.798 -99.200 -91.000 TRP 51 1.040 -10.661 -7.493 2.244 -99.200 -91.000 TRP6 51 1.020 -11.034 -5.728 3.778 -99.200 -91.000 TYR 59 0.840 -16.877 2.133 3.006 -99.200 -91.000 TRP 60 1.040 -16.160 3.064 -2.118 -99.200 -91.000 TRP6 60 1.020 -14.078 2.703 -1.045 -99.200 -91.000 HIS 70 0.900 -11.119 11.699 10.324 -99.200 -91.000 HIS 74 0.900 -4.695 15.133 11.413 -99.200 -91.000 TYR 84 0.840 -2.972 25.110 22.199 -99.200 -91.000 TYR 85 0.840 3.652 22.515 22.056 -99.200 -91.000 HIS 93 0.900 6.650 23.008 13.662 -99.200 -91.000 TYR 99 0.840 -10.008 7.173 14.286 -99.200 -91.000 TRP 107 1.040 -14.500 -12.394 14.989 -99.200 -91.000 TRP6 107 1.020 -15.631 -12.436 12.917 -99.200 -91.000 PHE 109 1.000 -14.200 -2.068 23.419 -99.200 -91.000 TYR 113 0.840 -6.424 0.828 19.482 -99.200 -91.000 HIS 114 0.900 -8.537 10.238 19.121 -99.200 -91.000 TYR 116 0.840 -3.526 15.180 17.021 -99.200 -91.000 TYR 118 0.840 3.217 20.413 17.127 -99.200 -91.000 TYR 123 0.840 -1.320 18.391 22.213 -99.200 -91.000 TRP 133 1.040 -9.887 13.312 26.893 -99.200 -91.000 TRP6 133 1.020 -9.672 12.450 24.698 -99.200 -91.000 HIS 145 0.900 -8.498 22.045 31.897 -99.200 -91.000 TRP 147 1.040 -10.426 17.785 22.377 -99.200 -91.000 TRP6 147 1.020 -8.867 16.150 21.702 -99.200 -91.000 HIS 151 0.900 -20.015 16.387 28.201 -99.200 -91.000 TYR 159 0.840 -15.222 4.993 15.259 -99.200 -91.000 TRP 167 1.040 -19.657 -0.085 9.829 -99.200 -91.000 TRP6 167 1.020 -19.931 0.011 7.482 -99.200 -91.000 TYR 171 0.840 -14.592 -2.598 7.003 -99.200 -91.000 HIS 188 0.900 15.482 -20.418 4.305 -99.200 -91.000 HIS 191 0.900 27.550 -23.009 8.719 -99.200 -91.000 HIS 192 0.900 26.015 -16.810 5.451 -99.200 -91.000 HIS 197 0.900 37.657 -18.261 16.016 -99.200 -91.000 TRP 204 1.040 16.825 -16.595 6.356 -99.200 -91.000 TRP6 204 1.020 16.252 -14.453 5.551 -99.200 -91.000 PHE 208 1.000 6.153 -13.931 9.517 -99.200 -91.000 TYR 209 0.840 -2.504 -11.400 7.434 -99.200 -91.000 TRP 217 1.040 18.917 -18.613 17.103 -99.200 -91.000 TRP6 217 1.020 19.365 -20.561 15.840 -99.200 -91.000 PHE 241 1.000 3.226 -8.317 7.595 -99.200 -91.000 TRP 244 1.040 17.234 -12.022 8.906 -99.200 -91.000 TRP6 244 1.020 19.011 -11.396 10.347 -99.200 -91.000 TYR 257 0.840 24.517 -22.966 19.636 -99.200 -91.000 HIS 260 0.900 13.126 -24.257 20.109 -99.200 -91.000 HIS 263 0.900 2.022 -16.892 12.110 -99.200 -91.000 TRP 274 1.040 24.182 -26.433 9.507 -99.200 -91.000 TRP6 274 1.020 23.336 -25.425 7.543 -99.200 -91.000