============================================================================= 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 9.549 114.920 99.808 -99.200 -91.000 TRP6 12 1.020 9.812 116.920 101.055 -99.200 -91.000 TRP 14 1.040 9.299 119.315 94.826 -99.200 -91.000 TRP6 14 1.020 7.884 120.350 96.403 -99.200 -91.000 HIS 21 0.900 17.203 102.894 74.559 -99.200 -91.000 TYR 24 0.840 17.287 99.079 83.872 -99.200 -91.000 TRP 25 1.040 13.436 103.840 78.180 -99.200 -91.000 TRP6 25 1.020 14.481 105.762 77.285 -99.200 -91.000 HIS 27 0.900 17.307 108.062 89.285 -99.200 -91.000 PHE 28 1.000 20.422 110.626 83.440 -99.200 -91.000 HIS 35 0.900 6.071 126.421 82.832 -99.200 -91.000 TRP 38 1.040 10.379 125.268 80.531 -99.200 -91.000 TRP6 38 1.020 12.296 125.420 79.158 -99.200 -91.000 HIS 44 0.900 26.632 116.197 88.464 -99.200 -91.000 HIS 64 0.900 7.498 101.581 96.664 -99.200 -91.000 TYR 66 0.840 14.112 101.711 87.719 -99.200 -91.000 TYR 67 0.840 8.592 98.133 91.589 -99.200 -91.000 HIS 80 0.900 25.223 129.264 83.430 -99.200 -91.000 PHE 83 1.000 28.971 121.118 84.326 -99.200 -91.000 TYR 84 0.840 35.464 120.757 81.027 -99.200 -91.000 HIS 106 0.900 0.847 111.324 94.451 -99.200 -91.000 HIS 108 0.900 1.659 120.329 93.844 -99.200 -91.000 PHE 119 1.000 16.800 129.074 100.864 -99.200 -91.000 TRP 126 1.040 12.995 116.944 105.475 -99.200 -91.000 TRP6 126 1.020 12.121 118.743 106.709 -99.200 -91.000 TRP 130 1.040 13.285 107.333 93.558 -99.200 -91.000 TRP6 130 1.020 12.548 109.211 92.334 -99.200 -91.000 PHE 141 1.000 15.357 99.748 92.781 -99.200 -91.000 HIS 154 0.900 31.820 132.430 107.240 -99.200 -91.000 TYR 160 0.840 34.010 120.170 101.048 -99.200 -91.000 HIS 161 0.900 40.188 125.874 101.872 -99.200 -91.000 TYR 165 0.840 49.210 117.744 100.624 -99.200 -91.000 TRP 203 1.040 7.258 122.261 101.380 -99.200 -91.000 TRP6 203 1.020 8.924 121.597 102.903 -99.200 -91.000 TRP 211 1.040 30.885 120.071 94.148 -99.200 -91.000 TRP6 211 1.020 32.987 119.940 95.277 -99.200 -91.000 TYR 224 0.840 22.554 119.961 98.674 -99.200 -91.000 TYR 229 0.840 26.367 133.122 91.227 -99.200 -91.000 TYR 230 0.840 24.220 129.632 88.406 -99.200 -91.000 TRP 233 1.040 21.359 130.001 82.136 -99.200 -91.000 TRP6 233 1.020 20.638 127.784 82.585 -99.200 -91.000 HIS 235 0.900 12.907 133.547 86.691 -99.200 -91.000 HIS 236 0.900 18.744 135.283 80.524 -99.200 -91.000 TYR 237 0.840 17.380 129.442 78.169 -99.200 -91.000