============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 4 1.040 17.249 -7.899 25.164 -99.200 -91.000 TRP6 4 1.020 19.250 -7.171 24.126 -99.200 -91.000 TYR 6 0.840 23.336 -3.086 24.418 -99.200 -91.000 HIS 9 0.900 14.811 2.510 29.919 -99.200 -91.000 HIS 14 0.900 17.430 -2.344 35.859 -99.200 -91.000 TRP 15 1.040 20.355 -6.838 29.674 -99.200 -91.000 TRP6 15 1.020 22.313 -7.147 28.372 -99.200 -91.000 HIS 16 0.900 19.641 -8.715 37.917 -99.200 -91.000 TYR 19 0.840 16.141 -13.828 28.762 -99.200 -91.000 HIS 33 0.900 43.025 -6.720 33.829 -99.200 -91.000 HIS 39 0.900 52.171 -20.887 25.341 -99.200 -91.000 TRP 46 1.040 42.027 -19.470 14.708 -99.200 -91.000 TRP6 46 1.020 41.241 -18.104 12.944 -99.200 -91.000 TYR 50 0.840 34.287 -18.004 7.415 -99.200 -91.000 PHE 69 1.000 27.943 -14.875 6.407 -99.200 -91.000 PHE 73 1.000 24.829 -26.577 1.476 -99.200 -91.000 TYR 87 0.840 31.982 -25.597 16.907 -99.200 -91.000 PHE 92 1.000 29.817 -9.864 9.260 -99.200 -91.000 HIS 93 0.900 26.899 -10.144 16.879 -99.200 -91.000 HIS 95 0.900 28.229 -6.509 20.629 -99.200 -91.000 TRP 96 1.040 28.087 1.143 16.857 -99.200 -91.000 TRP6 96 1.020 26.948 -0.618 15.755 -99.200 -91.000 HIS 102 0.900 33.104 4.676 24.268 -99.200 -91.000 HIS 106 0.900 35.479 -10.520 24.937 -99.200 -91.000 TYR 113 0.840 42.036 -2.929 20.846 -99.200 -91.000 HIS 118 0.900 31.152 -10.221 19.746 -99.200 -91.000 HIS 121 0.900 32.271 -19.299 13.014 -99.200 -91.000 TRP 122 1.040 24.810 -23.346 13.674 -99.200 -91.000 TRP6 122 1.020 23.873 -25.482 13.251 -99.200 -91.000 TYR 126 0.840 26.150 -30.197 20.316 -99.200 -91.000 PHE 129 1.000 22.069 -20.386 16.903 -99.200 -91.000 PHE 145 1.000 39.684 -7.037 21.099 -99.200 -91.000 PHE 155 1.000 33.812 -2.184 8.853 -99.200 -91.000 PHE 174 1.000 26.627 -7.601 2.877 -99.200 -91.000 HIS 176 0.900 28.046 -13.877 -5.002 -99.200 -91.000 PHE 177 1.000 31.697 -8.956 3.596 -99.200 -91.000 PHE 183 1.000 38.674 -14.101 9.787 -99.200 -91.000 TYR 189 0.840 43.752 -19.502 19.197 -99.200 -91.000 TRP 190 1.040 44.653 -13.409 24.777 -99.200 -91.000 TRP6 190 1.020 44.411 -11.434 23.493 -99.200 -91.000 TYR 192 0.840 36.270 -15.831 27.573 -99.200 -91.000 HIS 193 0.900 31.797 -22.310 28.762 -99.200 -91.000 PHE 196 1.000 24.923 -16.538 21.691 -99.200 -91.000 TRP 207 1.040 33.416 -15.820 24.187 -99.200 -91.000 TRP6 207 1.020 32.731 -14.031 22.775 -99.200 -91.000 PHE 228 1.000 18.688 7.460 12.848 -99.200 -91.000 TRP 243 1.040 29.849 -0.184 24.994 -99.200 -91.000 TRP6 243 1.020 30.380 -0.042 27.302 -99.200 -91.000 PHE 258 1.000 49.450 -14.386 22.776 -99.200 -91.000