============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. HIS 1 0.900 -19.493 -1.834 7.385 -99.200 -91.000 PHE 8 1.000 -17.144 15.696 9.309 -99.200 -91.000 PHE 10 1.000 -13.955 21.344 6.692 -99.200 -91.000 HIS 17 0.900 -11.949 22.986 17.498 -99.200 -91.000 TRP 18 1.040 -10.203 25.190 13.344 -99.200 -91.000 TRP6 18 1.020 -8.401 24.834 14.833 -99.200 -91.000 TRP 34 1.040 -4.069 38.151 3.102 -99.200 -91.000 TRP6 34 1.020 -1.941 38.061 4.118 -99.200 -91.000 TRP 35 1.040 -10.046 37.633 -3.090 -99.200 -91.000 TRP6 35 1.020 -10.360 39.907 -3.609 -99.200 -91.000 TRP 45 1.040 -14.460 36.837 5.675 -99.200 -91.000 TRP6 45 1.020 -13.621 37.521 3.570 -99.200 -91.000 PHE 47 1.000 -9.967 29.450 11.017 -99.200 -91.000 TRP 83 1.040 -16.270 28.460 -5.497 -99.200 -91.000 TRP6 83 1.020 -15.222 26.902 -4.090 -99.200 -91.000 TRP 84 1.040 -12.508 29.536 -0.553 -99.200 -91.000 TRP6 84 1.020 -11.961 30.562 -2.604 -99.200 -91.000 PHE 97 1.000 -19.873 21.767 -2.161 -99.200 -91.000 TYR 111 0.840 -24.248 17.113 -19.925 -99.200 -91.000 TRP 155 1.040 -29.058 36.942 -13.363 -99.200 -91.000 TRP6 155 1.020 -27.846 34.989 -12.959 -99.200 -91.000 PHE 158 1.000 -23.659 35.479 -1.833 -99.200 -91.000 HIS 169 0.900 -28.104 27.858 8.613 -99.200 -91.000 HIS 170 0.900 -30.677 26.859 15.622 -99.200 -91.000 TYR 183 0.840 -16.410 19.178 -7.048 -99.200 -91.000 PHE 184 1.000 -22.706 18.016 -13.871 -99.200 -91.000 HIS 197 0.900 -16.340 13.015 -3.579 -99.200 -91.000 TYR 199 0.840 -23.387 17.303 3.997 -99.200 -91.000 TRP 212 1.040 -1.759 15.992 1.828 -99.200 -91.000 TRP6 212 1.020 -0.349 16.169 -0.046 -99.200 -91.000 TRP 222 1.040 -1.982 31.213 -3.937 -99.200 -91.000 TRP6 222 1.020 -0.293 32.380 -5.088 -99.200 -91.000 TRP 229 1.040 -10.216 22.668 -12.341 -99.200 -91.000 TRP6 229 1.020 -11.915 22.361 -13.942 -99.200 -91.000 TRP 241 1.040 -10.363 27.588 6.102 -99.200 -91.000 TRP6 241 1.020 -12.204 28.226 4.808 -99.200 -91.000 PHE 248 1.000 -2.252 35.114 -0.610 -99.200 -91.000 HIS 250 0.900 -3.172 37.494 -6.966 -99.200 -91.000 PHE 255 1.000 -2.766 29.678 -13.405 -99.200 -91.000 TYR 267 0.840 0.619 39.254 -0.440 -99.200 -91.000 TYR 279 0.840 4.800 23.470 -8.110 -99.200 -91.000 TYR 290 0.840 10.093 37.158 -9.473 -99.200 -91.000 PHE 292 1.000 10.068 31.605 -4.377 -99.200 -91.000 HIS 294 0.900 8.851 34.682 2.232 -99.200 -91.000 TRP 313 1.040 10.195 24.014 -6.850 -99.200 -91.000 TRP6 313 1.020 9.278 25.983 -7.744 -99.200 -91.000 TYR 325 0.840 -3.319 8.321 -9.034 -99.200 -91.000 TYR 346 0.840 8.686 4.954 -8.207 -99.200 -91.000 TYR 354 0.840 -8.898 6.539 -0.511 -99.200 -91.000 PHE 387 1.000 -17.950 8.143 -7.301 -99.200 -91.000 TYR 390 0.840 -19.309 7.851 -12.222 -99.200 -91.000 PHE 405 1.000 -8.504 -4.122 -4.651 -99.200 -91.000 TRP 406 1.040 -13.158 3.860 -8.110 -99.200 -91.000 TRP6 406 1.020 -15.286 4.156 -9.082 -99.200 -91.000 TYR 419 0.840 7.730 6.084 -1.711 -99.200 -91.000 PHE 420 1.000 0.241 2.453 -5.335 -99.200 -91.000 PHE 422 1.000 -0.443 8.117 -15.069 -99.200 -91.000 TYR 435 0.840 -7.696 22.454 -17.888 -99.200 -91.000 HIS 449 0.900 -16.785 24.046 -39.580 -99.200 -91.000 PHE 472 1.000 -5.634 11.109 -35.668 -99.200 -91.000 PHE 479 1.000 -16.280 23.151 -45.347 -99.200 -91.000 HIS 482 0.900 -12.904 25.695 -47.356 -99.200 -91.000 HIS 494 0.900 -17.920 24.877 -34.137 -99.200 -91.000 TYR 502 0.840 -11.590 22.397 -19.759 -99.200 -91.000 TYR 504 0.840 -7.371 25.019 -28.607 -99.200 -91.000 PHE 510 1.000 -7.859 19.237 -41.890 -99.200 -91.000 TRP 532 1.040 0.762 9.044 -27.278 -99.200 -91.000 TRP6 532 1.020 1.578 10.106 -25.349 -99.200 -91.000