============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 86 rings ring int. center anis. iso. TRP 4 1.040 139.502 8.477 30.786 -99.200 -91.000 TRP6 4 1.020 138.004 9.827 32.028 -99.200 -91.000 HIS 18 0.900 133.717 -16.270 36.177 -99.200 -91.000 PHE 24 1.000 141.423 -14.411 27.127 -99.200 -91.000 TYR 25 0.840 145.646 -20.359 24.333 -99.200 -91.000 HIS 28 0.900 146.992 -12.521 14.260 -99.200 -91.000 PHE 45 1.000 146.856 -10.390 18.638 -99.200 -91.000 TYR 48 0.840 146.581 -3.813 25.517 -99.200 -91.000 HIS 49 0.900 147.994 -13.967 28.478 -99.200 -91.000 TYR 51 0.840 149.898 -3.352 29.621 -99.200 -91.000 PHE 53 1.000 144.561 -13.298 31.764 -99.200 -91.000 PHE 73 1.000 156.659 4.481 10.426 -99.200 -91.000 TYR 82 0.840 137.120 -0.379 19.972 -99.200 -91.000 TRP 99 1.040 146.218 2.191 11.848 -99.200 -91.000 TRP6 99 1.020 148.444 1.933 12.626 -99.200 -91.000 PHE 108 1.000 138.975 -8.948 26.407 -99.200 -91.000 TYR 113 0.840 134.782 -7.659 36.961 -99.200 -91.000 TYR 117 0.840 135.097 -15.496 47.430 -99.200 -91.000 PHE 120 1.000 142.941 -12.817 36.550 -99.200 -91.000 PHE 133 1.000 136.564 16.661 18.119 -99.200 -91.000 HIS 135 0.900 146.730 16.428 16.001 -99.200 -91.000 HIS 145 0.900 163.753 21.451 33.114 -99.200 -91.000 TYR 146 0.840 168.100 14.199 26.996 -99.200 -91.000 PHE 161 1.000 148.904 1.679 29.676 -99.200 -91.000 PHE 164 1.000 145.723 12.212 25.274 -99.200 -91.000 HIS 168 0.900 153.356 19.850 18.995 -99.200 -91.000 TRP 169 1.040 160.530 15.002 20.941 -99.200 -91.000 TRP6 169 1.020 161.676 13.076 20.172 -99.200 -91.000 HIS 170 0.900 158.587 23.393 21.004 -99.200 -91.000 PHE 177 1.000 169.001 21.643 17.190 -99.200 -91.000 TYR 179 0.840 167.218 15.822 14.904 -99.200 -91.000 PHE 184 1.000 172.997 21.582 8.112 -99.200 -91.000 TYR 193 0.840 169.750 22.128 28.769 -99.200 -91.000 HIS 197 0.900 171.979 16.152 29.931 -99.200 -91.000 TYR 199 0.840 165.821 13.476 23.124 -99.200 -91.000 TYR 210 0.840 157.664 1.720 23.716 -99.200 -91.000 PHE 222 1.000 163.492 19.147 14.380 -99.200 -91.000 HIS 227 0.900 159.728 30.053 21.674 -99.200 -91.000 TRP 231 1.040 167.163 26.041 16.212 -99.200 -91.000 TRP6 231 1.020 166.463 25.083 14.157 -99.200 -91.000 TYR 243 0.840 174.419 45.155 14.498 -99.200 -91.000 PHE 249 1.000 174.619 36.653 17.748 -99.200 -91.000 TYR 260 0.840 164.853 31.988 3.452 -99.200 -91.000 PHE 262 1.000 170.466 25.270 9.304 -99.200 -91.000 PHE 266 1.000 167.089 20.791 11.029 -99.200 -91.000 PHE 267 1.000 162.355 22.549 8.616 -99.200 -91.000 PHE 274 1.000 161.410 13.292 13.696 -99.200 -91.000 PHE 278 1.000 149.640 16.812 8.183 -99.200 -91.000 HIS 280 0.900 153.589 22.937 15.287 -99.200 -91.000 PHE 288 1.000 157.188 40.692 14.099 -99.200 -91.000 TRP 291 1.040 164.088 39.404 12.127 -99.200 -91.000 TRP6 291 1.020 161.964 38.479 11.648 -99.200 -91.000 PHE 300 1.000 164.924 40.608 2.271 -99.200 -91.000 PHE 306 1.000 158.594 42.209 2.802 -99.200 -91.000 PHE 310 1.000