============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 -12.439 -28.805 14.100 -99.200 -91.000 TRP6 14 1.020 -10.568 -29.295 15.459 -99.200 -91.000 PHE 19 1.000 -22.175 -32.884 0.177 -99.200 -91.000 TRP 37 1.040 -25.617 -34.241 20.372 -99.200 -91.000 TRP6 37 1.020 -27.816 -33.550 19.848 -99.200 -91.000 HIS 43 0.900 -27.218 -19.052 7.080 -99.200 -91.000 TYR 47 0.840 -32.724 -16.725 4.836 -99.200 -91.000 TRP 49 1.040 -32.061 -18.348 -0.124 -99.200 -91.000 TRP6 49 1.020 -31.956 -18.894 -2.391 -99.200 -91.000 PHE 53 1.000 -32.652 -28.065 2.448 -99.200 -91.000 HIS 65 0.900 -6.654 -32.833 2.411 -99.200 -91.000 TYR 80 0.840 -32.974 -31.682 18.982 -99.200 -91.000 HIS 82 0.900 -31.908 -19.970 20.665 -99.200 -91.000 TYR 85 0.840 -32.902 -18.831 12.071 -99.200 -91.000 TRP 87 1.040 -37.509 -17.292 10.083 -99.200 -91.000 TRP6 87 1.020 -39.189 -16.255 8.779 -99.200 -91.000 PHE 106 1.000 -15.041 -38.998 18.342 -99.200 -91.000 TYR 109 0.840 -7.223 -39.282 7.881 -99.200 -91.000 HIS 111 0.900 -10.308 -36.016 18.535 -99.200 -91.000 TYR 128 0.840 -6.536 -11.586 22.059 -99.200 -91.000 TRP 135 1.040 -15.077 -28.780 1.730 -99.200 -91.000 TRP6 135 1.020 -13.513 -29.660 0.196 -99.200 -91.000 PHE 173 1.000 -17.100 -14.141 16.601 -99.200 -91.000 TYR 177 0.840 -6.027 -10.102 8.277 -99.200 -91.000 PHE 196 1.000 -13.278 -16.665 14.232 -99.200 -91.000 PHE 202 1.000 -5.948 -19.235 29.567 -99.200 -91.000 TRP 206 1.040 -6.817 -26.450 17.388 -99.200 -91.000 TRP6 206 1.020 -6.417 -24.474 16.149 -99.200 -91.000 TYR 207 0.840 -11.772 -24.556 24.359 -99.200 -91.000 TRP 214 1.040 -25.200 -11.726 9.511 -99.200 -91.000 TRP6 214 1.020 -24.937 -9.416 9.052 -99.200 -91.000 TYR 224 0.840 -14.484 -5.244 8.930 -99.200 -91.000 PHE 226 1.000 -21.489 -8.377 11.004 -99.200 -91.000 TYR 227 0.840 -17.078 -15.468 11.304 -99.200 -91.000 HIS 229 0.900 -20.167 -14.420 21.804 -99.200 -91.000 PHE 231 1.000 -19.742 -18.320 27.477 -99.200 -91.000 TRP 236 1.040 -31.244 -24.086 22.139 -99.200 -91.000 TRP6 236 1.020 -30.000 -24.676 20.214 -99.200 -91.000 PHE 244 1.000 -34.335 -33.108 24.120 -99.200 -91.000