============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 12 1.040 2.916 81.252 84.189 -99.200 -91.000 TRP6 12 1.020 2.474 79.267 82.973 -99.200 -91.000 TRP 14 1.040 3.012 76.535 89.013 -99.200 -91.000 TRP6 14 1.020 1.094 75.907 87.782 -99.200 -91.000 HIS 21 0.900 17.728 90.542 106.241 -99.200 -91.000 TYR 24 0.840 17.887 93.443 97.599 -99.200 -91.000 TRP 25 1.040 14.148 89.678 104.170 -99.200 -91.000 TRP6 25 1.020 15.004 87.619 104.977 -99.200 -91.000 HIS 27 0.900 14.297 85.279 92.554 -99.200 -91.000 PHE 28 1.000 17.924 81.882 97.669 -99.200 -91.000 HIS 35 0.900 0.408 69.825 101.545 -99.200 -91.000 TRP 38 1.040 5.499 69.680 102.842 -99.200 -91.000 TRP6 38 1.020 7.653 69.206 103.714 -99.200 -91.000 HIS 44 0.900 21.166 74.956 91.363 -99.200 -91.000 HIS 64 0.900 5.329 94.143 87.670 -99.200 -91.000 TYR 66 0.840 13.321 92.355 94.902 -99.200 -91.000 TYR 67 0.840 3.292 96.569 93.529 -99.200 -91.000 HIS 80 0.900 17.851 62.289 96.535 -99.200 -91.000 PHE 83 1.000 22.977 69.354 95.010 -99.200 -91.000 TYR 84 0.840 30.057 68.045 96.890 -99.200 -91.000 HIS 106 0.900 -2.907 86.006 91.658 -99.200 -91.000 HIS 108 0.900 -4.027 76.832 91.776 -99.200 -91.000 PHE 119 1.000 5.555 65.438 82.115 -99.200 -91.000 TRP 126 1.040 3.871 77.107 78.008 -99.200 -91.000 TRP6 126 1.020 3.935 79.286 77.115 -99.200 -91.000 TRP 130 1.040 9.888 87.107 89.238 -99.200 -91.000 TRP6 130 1.020 8.934 85.526 90.724 -99.200 -91.000 PHE 141 1.000 14.005 93.944 89.782 -99.200 -91.000 HIS 154 0.900 18.655 59.302 71.424 -99.200 -91.000 TYR 160 0.840 24.484 70.080 77.397 -99.200 -91.000 HIS 161 0.900 28.650 63.391 75.019 -99.200 -91.000 TYR 165 0.840 39.356 68.573 74.300 -99.200 -91.000 TRP 203 1.040 -1.520 74.488 82.938 -99.200 -91.000 TRP6 203 1.020 0.072 74.695 81.193 -99.200 -91.000 TRP 211 1.040 22.875 70.456 85.044 -99.200 -91.000 TRP6 211 1.020 24.562 69.968 83.478 -99.200 -91.000 TYR 224 0.840 14.248 72.853 82.493 -99.200 -91.000 TYR 229 0.840 16.105 58.937 88.796 -99.200 -91.000 TYR 230 0.840 15.649 62.619 92.116 -99.200 -91.000 TRP 233 1.040 14.044 62.564 98.930 -99.200 -91.000 TRP6 233 1.020 13.777 64.895 98.601 -99.200 -91.000 HIS 235 0.900 4.344 61.138 95.793 -99.200 -91.000 HIS 236 0.900 10.312 59.482 103.706 -99.200 -91.000 TYR 237 0.840 11.321 63.898 103.397 -99.200 -91.000