============================================================================= 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. HIS 4 0.900 71.260 -9.642 20.484 -99.200 -91.000 TYR 26 0.840 72.303 21.092 14.641 -99.200 -91.000 TRP 37 1.040 82.588 15.209 12.742 -99.200 -91.000 TRP6 37 1.020 80.419 14.655 13.436 -99.200 -91.000 HIS 38 0.900 78.049 15.575 7.834 -99.200 -91.000 HIS 41 0.900 77.298 10.977 13.935 -99.200 -91.000 TYR 42 0.840 74.940 9.758 9.984 -99.200 -91.000 HIS 69 0.900 77.309 25.750 9.076 -99.200 -91.000 TRP 74 1.040 69.211 22.256 -2.275 -99.200 -91.000 TRP6 74 1.020 70.122 22.418 -0.094 -99.200 -91.000 HIS 102 0.900 60.260 22.867 3.738 -99.200 -91.000 TYR 111 0.840 71.338 32.868 4.823 -99.200 -91.000 TYR 126 0.840 62.553 29.744 15.289 -99.200 -91.000 PHE 144 1.000 58.880 16.541 2.095 -99.200 -91.000 TYR 156 0.840 70.443 7.807 1.977 -99.200 -91.000 HIS 162 0.900 61.313 15.463 11.445 -99.200 -91.000 HIS 165 0.900 61.175 15.643 16.790 -99.200 -91.000 TYR 167 0.840 61.937 20.705 12.676 -99.200 -91.000 HIS 170 0.900 54.177 18.948 15.161 -99.200 -91.000 PHE 172 1.000 50.668 22.938 5.330 -99.200 -91.000 TYR 184 0.840 46.828 21.712 0.583 -99.200 -91.000 PHE 194 1.000 53.039 19.663 2.907 -99.200 -91.000 TRP 206 1.040 61.187 4.357 -1.007 -99.200 -91.000 TRP6 206 1.020 63.464 4.947 -0.955 -99.200 -91.000 PHE 213 1.000 61.028 2.800 8.996 -99.200 -91.000 TYR 221 0.840 53.878 16.487 25.463 -99.200 -91.000 TYR 234 0.840 46.138 14.512 11.803 -99.200 -91.000 TYR 260 0.840 58.026 9.543 32.127 -99.200 -91.000 TYR 263 0.840 60.087 12.002 26.699 -99.200 -91.000 TYR 267 0.840 52.483 10.481 23.700 -99.200 -91.000 TYR 314 0.840 82.547 0.531 18.611 -99.200 -91.000 TRP 315 1.040 72.961 0.561 24.248 -99.200 -91.000 TRP6 315 1.020 71.344 -0.983 23.465 -99.200 -91.000 HIS 318 0.900 79.681 -1.865 24.608 -99.200 -91.000 TYR 320 0.840 76.082 -8.291 18.449 -99.200 -91.000 TRP 326 1.040 81.902 -8.132 20.255 -99.200 -91.000 TRP6 326 1.020 82.826 -6.145 21.128 -99.200 -91.000 TYR 330 0.840 87.118 -2.749 16.409 -99.200 -91.000 PHE 334 1.000 82.420 -11.941 24.010 -99.200 -91.000