######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 ?-? 119.954 8.076 Y3N-HN 121.699 7.992 Q4N-HN 121.973 8.343 V5N-HN 120.902 8.008 W10N-HN 116.714 8.120 R11N-HN 123.580 6.922 Q13N-HN 120.964 9.331 T14N-HN 109.068 7.847 F15N-HN 120.211 8.730 A16N-HN 119.472 7.977 D17N-HN 114.794 7.376 V18N-HN 121.727 7.392 V19N-HN 128.484 7.973 G20N-HN 113.726 8.673 E22N-HN 121.421 9.603 V24N-HN 121.249 7.043 L25N-HN 118.218 8.061 T26N-HN 114.537 8.299 A27N-HN 123.491 7.059 L28N-HN 119.564 8.207 A29N-HN 120.843 8.482 N30N-HN 116.818 8.197 G31N-HN 106.256 7.825 L32N-HN 120.902 8.129 S33N-HN 113.981 8.240 L34N-HN 118.921 7.646 G35N-HN 108.688 7.873 R36N-HN 122.642 8.297 I37N-HN 123.151 8.032 H38N-HN 129.018 8.209 A40N-HN 121.503 7.728 Y41N-HN 122.768 8.943 L42N-HN 124.191 8.948 F43N-HN 126.529 9.638 S44N-HN 118.818 9.332 G45N-HN 107.468 7.455 T46N-HN 113.941 8.474 R47N-HN 122.077 8.355 G48N-HN 115.271 10.516 V49N-HN 116.071 7.925 G50N-HN 112.278 9.455 K51N-HN 124.942 10.783 T52N-HN 106.531 8.298 S53N-HN 119.728 7.751 I54N-HN 122.017 8.132 A55N-HN 121.263 7.485 R56N-HN 117.504 8.043 L57N-HN 118.988 7.440 L58N-HN 121.765 8.249 A59N-HN 120.516 8.332 K60N-HN 118.730 8.218 G61N-HN 108.215 8.414 L62N-HN 115.360 8.206 N63N-HN 112.260 7.176 C64N-HN 125.611 7.375 E65N-HN 135.049 9.799 T66N-HN 112.531 9.132 G67N-HN 110.543 7.320 I68N-HN 117.636 7.841 T69N-HN 123.957 8.608 A70N-HN 124.856 8.385 T71N-HN 111.518 9.139 C73N-HN 127.204 8.787 G74N-HN 114.811 9.316 V75N-HN 117.571 8.953 C76N-HN 124.820 7.458 D77N-HN 120.725 8.692 N78N-HN 119.148 7.895 C79N-HN 121.839 8.940 R80N-HN 117.660 8.389 E81N-HN 118.036 8.474 I82N-HN 120.895 8.169 E83N-HN 121.701 7.834 Q84N-HN 113.882 7.615 G85N-HN 108.969 7.837 R86N-HN 117.438 8.172 F87N-HN 123.350 8.442 V88N-HN 127.476 8.461 L90N-HN 122.253 7.438 I91N-HN 129.710 9.000 E92N-HN 127.162 8.573 I93N-HN 125.665 9.306 D94N-HN 127.865 8.842 A95N-HN 126.935 8.454 A96N-HN 117.187 8.009 S97N-HN 112.577 7.203 V101N-HN 119.791 7.813 E102N-HN 121.698 8.571 D103N-HN 120.506 8.030 T104N-HN 114.518 8.121 R105N-HN 121.638 7.928 D106N-HN 119.936 8.156 L107N-HN 121.110 8.098 L108N-HN 117.415 8.111 D109N-HN 119.891 7.825 V111N-HN 119.834 7.615 Y113N-HN 119.289 7.355 A116N-HN 128.303 10.055 R117N-HN 119.833 10.111 G118N-HN 108.594 9.851 R119N-HN 119.675 8.164 F120N-HN 113.600 8.354 K121N-HN 122.585 9.195 V122N-HN 125.990 8.817 Y123N-HN 126.165 8.428 L124N-HN 129.239 9.305 I125N-HN 124.768 8.993 D126N-HN 127.660 9.048 E127N-HN 121.668 8.157 V128N-HN 114.862 8.096 H129N-HN 115.356 8.015 M130N-HN 118.320 7.959 L131N-HN 119.663 6.968 S132N-HN 114.739 8.289 S135N-HN 118.273 7.901 F136N-HN 122.664 8.971 N137N-HN 117.428 8.188 A138N-HN 122.645 7.519 L139N-HN 121.073 8.182 L140N-HN 119.041 8.443 K141N-HN 116.524 7.651 T142N-HN 115.519 7.478 L143N-HN 118.152 7.996 E144N-HN 117.662 7.752 E145N-HN 116.830 6.978 E148N-HN 121.408 8.862 H149N-HN 110.422 7.834 V150N-HN 120.343 7.176 K151N-HN 122.241 8.526 F152N-HN 119.264 8.771 L153N-HN 124.358 9.756 L154N-HN 123.473 9.506 A155N-HN 124.320 8.993 T156N-HN 114.512 8.612 T157N-HN 118.749 8.943 D158N-HN 122.720 8.797 Q160N-HN 116.013 8.262 K161N-HN 117.252 7.500 L162N-HN 120.173 7.485 I166N-HN 117.634 6.932 L167N-HN 120.357 7.553 S168N-HN 109.398 8.136 R169N-HN 119.049 7.328 C170N-HN 113.954 7.189 L171N-HN 124.158 7.808 Q172N-HN 124.509 8.168 Q172NE2-HE21 110.381 7.321 Q172NE2-HE22 110.374 6.598 F173N-HN 122.285 8.941 H174N-HN 124.425 9.020 L175N-HN 129.729 8.981 K176N-HN 120.737 9.086 A177N-HN 123.378 8.440 L178N-HN 122.553 8.442 D179N-HN 120.149 8.666 V180N-HN 120.352 8.209 E181N-HN 119.460 8.349 Q182N-HN 118.568 7.805 Q182NE2-HE21 112.091 7.758 Q182NE2-HE22 112.151 6.924 I183N-HN 118.087 7.735 R184N-HN 120.731 8.737 H185N-HN 115.859 8.469 Q186N-HN 118.886 7.636 L187N-HN 117.934 8.428 E188N-HN 118.728 8.072 H189N-HN 117.110 7.620 I190N-HN 119.027 8.035 L191N-HN 117.193 8.322 N192N-HN 117.442 8.201 E193N-HN 122.672 8.150 E194N-HN 115.073 7.902 H195N-HN 115.109 7.682 I196N-HN 120.895 8.326 A197N-HN 133.551 8.924 H198N-HN 115.043 7.930 E199N-HN 118.247 7.316 A202N-HN 120.279 7.052 L203N-HN 113.106 7.302 Q204N-HN 117.889 7.472 L205N-HN 118.129 7.771 L206N-HN 119.640 7.892 A207N-HN 118.152 8.110 R208N-HN 116.665 7.848 A209N-HN 122.012 7.856 A210N-HN 117.825 7.411 E211N-HN 115.915 7.649 G212N-HN 104.012 8.949 S213N-HN 112.886 7.299 L214N-HN 131.953 8.961 R215N-HN 118.080 8.339 D216N-HN 121.564 8.364 A217N-HN 122.136 8.159 L218N-HN 120.055 8.519 S219N-HN 115.593 8.036 L220N-HN 122.242 8.708 T221N-HN 118.247 8.012 D222N-HN 122.233 8.374 Q223N-HN 120.202 7.852 A224N-HN 125.118 8.506 I225N-HN 119.913 8.505 A226N-HN 120.117 7.604 S227N-HN 112.786 8.078 G228N-HN 110.108 7.917 D229N-HN 120.196 8.146 G230N-HN 105.280 8.714 Q231N-HN 116.453 7.502 V232N-HN 122.471 8.545 S233N-HN 118.892 7.633 T234N-HN 121.560 9.529 A236N-HN 121.977 7.811 V237N-HN 117.446 8.162 S238N-HN 115.108 8.723 A239N-HN 122.119 7.630 M240N-HN 116.959 7.571 L241N-HN 118.207 7.794 G242N-HN 113.427 7.584 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 1 2 . . N 15 15N . . . . . . . . . . 50595 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_2 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 119.950 58.650 8.071 ?-?-? 119.950 57.245 8.065 Y3N-S2CA-Y3HN 121.666 58.259 7.984 Y3N-CA-HN 121.666 57.616 7.992 Q4N-Y3CA-Q4HN 121.973 57.586 8.341 Q4N-CA-HN 121.956 55.802 8.340 V5N-Q4CA-V5HN 120.902 55.839 8.011 V5N-CA-HN 120.902 63.037 8.015 W10N-CA-HN 116.714 58.299 8.122 R11N-W10CA-R11HN 123.554 58.359 6.925 R11N-CA-HN 123.578 54.319 6.925 Q13N-P12CA-Q13HN 120.964 63.117 9.330 Q13N-CA-HN 120.964 56.241 9.327 T14N-Q13CA-T14HN 109.068 56.258 7.846 T14N-CA-HN 109.029 59.795 7.843 F15N-T14CA-F15HN 120.230 59.720 8.731 F15N-CA-HN 120.211 60.549 8.732 A16N-F15CA-A16HN 119.487 60.619 7.980 A16N-CA-HN 119.472 54.094 7.979 D17N-A16CA-D17HN 114.810 54.067 7.381 D17N-CA-HN 114.816 54.954 7.380 V18N-D17CA-V18HN 121.715 54.926 7.394 V18N-CA-HN 121.715 63.328 7.390 V19N-V18CA-V19HN 128.456 63.328 7.982 V19N-CA-HN 128.480 62.208 7.982 G20N-V19CA-G20HN 113.695 62.194 8.676 G20N-CA-HN 113.695 45.641 8.676 E22N-Q21CA-E22HN 121.421 53.440 9.603 E22N-CA-HN 121.451 61.566 9.602 V24N-H23CA-V24HN 121.249 59.142 7.036 V24N-CA-HN 121.249 64.442 7.045 L25N-V24CA-L25HN 118.218 64.492 8.057 L25N-CA-HN 118.218 58.038 8.056 T26N-L25CA-T26HN 114.537 58.068 8.296 T26N-CA-HN 114.537 66.450 8.306 A27N-T26CA-A27HN 123.491 66.380 7.061 A27N-CA-HN 123.491 55.237 7.064 L28N-A27CA-L28HN 119.564 55.207 8.204 L28N-CA-HN 119.564 57.727 8.204 A29N-L28CA-A29HN 120.843 57.707 8.492 A29N-CA-HN 120.843 55.659 8.485 N30N-A29CA-N30HN 116.818 55.588 8.196 N30N-CA-HN 116.818 56.402 8.196 G31N-N30CA-G31HN 106.256 56.462 7.827 G31N-CA-HN 106.256 48.030 7.832 L32N-G31CA-L32HN 120.902 47.969 8.135 L32N-CA-HN 120.902 58.349 8.128 S33N-L32CA-S33HN 113.997 58.329 8.241 S33N-CA-HN 113.997 61.531 8.241 L34N-S33CA-L34HN 118.921 61.501 7.651 L34N-CA-HN 118.921 55.056 7.649 G35N-L34CA-G35HN 108.688 55.016 7.877 G35N-CA-HN 108.688 46.353 7.877 R36N-G35CA-R36HN 122.642 46.393 8.295 R36N-CA-HN 122.642 54.976 8.300 I37N-R36CA-I37HN 123.151 54.876 8.034 I37N-CA-HN 123.151 58.959 8.036 H38N-I37CA-H38HN 129.043 59.012 8.212 H38N-CA-HN 129.043 56.502 8.207 A40N-H39CA-A40HN 121.512 57.857 7.729 A40N-CA-HN 121.503 51.543 7.735 Y41N-A40CA-Y41HN 122.768 51.493 8.947 Y41N-CA-HN 122.768 56.793 8.942 L42N-Y41CA-L42HN 124.153 56.803 8.950 L42N-CA-HN 124.153 53.119 8.947 F43N-L42CA-F43HN 126.529 53.069 9.645 F43N-CA-HN 126.529 56.683 9.637 S44N-F43CA-S44HN 118.818 56.703 9.334 S44N-CA-HN 118.818 56.402 9.331 G45N-S44CA-G45HN 107.468 56.392 7.463 G45N-CA-HN 107.468 44.727 7.463 T46N-G45CA-T46HN 113.941 44.747 8.472 T46N-CA-HN 113.981 62.758 8.478 R47N-T46CA-R47HN 122.084 62.773 8.353 R47N-CA-HN 122.077 58.229 8.352 G48N-R47CA-G48HN 115.277 58.242 10.519 G48N-CA-HN 115.271 45.731 10.514 V49N-G48CA-V49HN 116.071 45.761 7.932 V49N-CA-HN 116.071 62.736 7.925 G50N-V49CA-G50HN 112.247 62.696 9.457 G50N-CA-HN 112.247 45.641 9.457 K51N-G50CA-K51HN 124.942 45.390 10.793 K51N-CA-HN 124.942 61.481 10.779 T52N-K51CA-T52HN 106.531 61.441 8.305 T52N-CA-HN 106.531 65.195 8.302 S53N-T52CA-S53HN 119.728 65.185 7.759 S53N-CA-HN 119.728 61.581 7.756 I54N-S53CA-I54HN 122.017 61.621 8.139 I54N-CA-HN 122.017 64.653 8.135 A55N-I54CA-A55HN 121.237 64.691 7.489 A55N-CA-HN 121.263 55.287 7.490 R56N-A55CA-R56HN 117.504 55.328 8.051 R56N-CA-HN 117.504 60.588 8.048 L57N-R56CA-L57CA 119.006 60.598 7.448 L57N-CA-HN 119.006 57.797 7.449 L58N-L57CA-L58HN 121.765 57.737 8.253 L58N-CA-HN 121.765 58.309 8.248 A59N-L58CA-A59HN 120.516 58.309 8.335 A59N-CA-HN 120.516 55.920 8.331 K60N-A59CA-K60HN 118.730 55.960 8.218 K60N-CA-HN 118.730 59.252 8.218 G61N-K60CA-G61HN 108.215 59.333 8.415 G61N-CA-HN 108.215 48.451 8.409 L62N-G61CA-L62HN 115.360 48.180 8.204 L62N-CA-HN 115.360 57.134 8.207 N63N-L62CA-N63HN 112.260 57.165 7.179 N63N-CA-HN 112.260 53.631 7.182 C64N-N63CA-C64HN 125.611 53.631 7.380 C64N-CA-HN 125.611 62.505 7.380 E65N-C64CA-E65HN 135.049 62.545 9.795 E65N-CA-HN 135.049 60.306 9.795 T66N-E65CA-T66HN 112.531 60.286 9.139 T66N-CA-HN 112.531 64.241 9.135 G67N-T66CA-G67HN 110.543 64.250 7.331 G67N-CA-HN 110.543 43.816 7.331 I68N-G67CA-I68HN 117.633 43.799 7.840 I68N-CA-HN 117.636 62.605 7.840 T69N-I68CA-T69HN 123.957 62.595 8.611 T69N-CA-HN 123.957 59.182 8.613 A70N-T69CA-A70HN 124.856 59.142 8.385 A70N-CA-HN 124.856 52.186 8.385 T71N-A70CA-T71HN 111.546 52.206 9.138 T71N-CA-HN 111.546 56.924 9.140 C73N-P72CA-C73HN 127.189 62.957 8.790 C73N-CA-HN 127.189 61.732 8.790 G74N-C73CA-G74HN 114.806 61.702 9.321 G74N-CA-HN 114.806 47.006 9.321 V75N-G74CA-V75HN 117.571 47.220 8.967 V75N-CA-HN 117.591 61.780 8.957 C76N-V75CA-C76HN 124.849 61.762 7.459 C76N-CA-HN 124.838 57.168 7.461 D77N-C76CA-D77HN 120.725 57.175 8.692 D77N-CA-HN 120.725 58.540 8.692 N78N-D77CA-N78HN 119.148 58.560 7.898 N78N-CA-HN 119.148 56.562 7.898 C79N-N78CA-C79HN 121.865 56.558 8.940 C79N-CA-HN 121.839 66.309 8.941 R80N-C79CA-R80HN 117.660 66.329 8.390 R80N-CA-HN 117.660 59.664 8.393 E81N-R80CA-E81HN 118.019 59.654 8.483 E81N-CA-HN 118.065 60.225 8.479 I82N-E81CA-I82HN 120.895 60.146 8.165 I82N-CA-HN 120.856 66.373 8.170 E83N-I82CA-E83HN 121.690 66.400 7.840 E83N-CA-HN 121.701 59.070 7.839 Q84N-E83CA-Q84HN 113.882 59.062 7.618 Q84N-CA-HN 113.882 55.900 7.617 G85N-Q84CA-G85HN 109.029 55.870 7.833 R86N-G85CA-R86HN 117.430 46.705 8.178 R86N-CA-HN 117.430 54.454 8.174 F87N-R86CA-F87HN 123.329 54.492 8.441 F87N-CA-HN 123.359 55.737 8.441 V88N-F87CA-V88HN 127.501 55.749 8.462 V88N-CA-HN 127.501 64.121 8.464 L90N-D89CA-L90HN 122.253 54.073 7.449 L90N-CA-HN 122.253 54.334 7.445 I91N-L90CA-I91HN 129.732 54.324 9.004 I91N-CA-HN 129.732 60.798 9.001 E92N-I91CA-E92HN 127.162 60.839 8.576 E92N-CA-HN 127.162 55.799 8.573 I93N-E92CA-I93HN 125.674 55.814 9.306 I93N-CA-HN 125.672 60.295 9.305 D94N-I93CA-D94HN 127.865 60.296 8.837 D94N-CA-HN 127.865 52.366 8.838 A95N-D94CA-A95HN 126.935 52.366 8.457 A95N-CA-HN 126.935 54.394 8.462 A96N-A95CA-A96HN 117.187 54.334 8.015 A96N-CA-HN 117.187 53.149 8.012 S97N-A96CA-S97HN 112.596 53.089 7.211 S97N-CA-HN 112.615 58.549 7.208 V101N-K100CA-V101HN 119.827 56.502 7.823 V101N-CA-HN 119.827 64.442 7.823 E102N-V101CA-E102HN 121.698 64.462 8.575 E102N-CA-HN 121.698 58.239 8.577 D103N-E102CA-D103HN 120.506 58.239 8.036 D103N-CA-HN 120.506 55.669 8.039 T104N-D103CA-T104HN 114.518 55.619 8.124 T104N-CA-HN 114.518 64.402 8.124 R105N-T104CA-R105HN 121.638 64.460 7.933 R105N-CA-HN 121.666 58.221 7.937 D106N-R105CA-D106HN 119.936 58.269 8.160 D106N-CA-HN 119.936 56.050 8.163 L107N-D106CA-L107HN 121.110 56.080 8.098 L107N-CA-HN 121.116 57.849 8.096 L108N-L107CA-L108HN 117.433 57.799 8.111 L108N-CA-HN 117.433 55.398 8.114 D109N-L108CA-D109HN 119.827 55.348 7.828 D109N-CA-HN 119.827 56.085 7.830 V111N-N110CA-V111HN 119.802 53.447 7.617 V111N-CA-HN 119.834 64.653 7.617 Y113N-Q112CA-Y113HN 119.289 56.748 7.359 Y113N-CA-HN 119.289 57.861 7.357 A116N-P115CA-A116HN 128.313 62.274 10.060 A116N-CA-HN 128.350 54.021 10.060 R117N-A116CA-R117HN 119.833 54.033 10.118 R117N-CA-HN 119.833 57.124 10.118 G118N-R117CA-G118HN 108.594 57.094 9.851 G118N-CA-HN 108.594 44.356 9.853 R119N-G118CA-R119HN 119.675 44.416 8.172 R119N-CA-HN 119.675 57.787 8.165 F120N-R119CA-F120HN 113.600 57.968 8.355 F120N-CA-HN 113.600 55.849 8.355 K121N-F120CA-K121HN 122.606 55.779 9.198 V122N-K121CA-V122HN 125.990 55.729 8.818 V122N-CA-HN 125.990 60.427 8.815 Y123N-V122CA-Y123HN 126.179 60.387 8.424 Y123N-CA-HN 126.179 56.934 8.433 L124N-Y123CA-L124HN 129.239 56.914 9.306 L124N-CA-HN 129.239 53.751 9.304 I125N-L124CA-I125HN 124.790 53.765 9.000 I125N-CA-HN 124.768 60.477 9.004 D126N-I125CA-D126HN 127.660 60.477 9.049 D126N-CA-HN 127.660 53.581 9.049 E127N-D126CA-E127HN 121.668 53.571 8.162 E127N-CA-HN 121.668 55.558 8.163 V128N-E127CA-V128HN 114.896 55.558 8.099 V128N-CA-HN 114.896 64.262 8.103 H129N-V128CA-H129HN 115.356 64.191 8.022 H129N-CA-HN 115.356 58.690 8.020 M130N-H129CA-M130HN 118.320 58.710 7.967 M130N-CA-HN 118.320 54.745 7.967 L131N-M130CA-L131HN 119.636 54.665 6.975 L131N-CA-HN 119.636 55.438 6.977 S132N-L131CA-S132HN 114.739 55.448 8.290 S132N-CA-HN 114.739 57.446 8.285 S135N-H134CA-S135HN 118.313 59.852 7.897 S135N-CA-HN 118.285 62.475 7.898 F136N-S135CA-F136HN 122.664 62.475 8.975 F136N-CA-HN 122.664 61.531 8.970 N137N-F136CA-N137HN 117.382 61.458 8.190 N137N-CA-HN 117.430 56.452 8.191 A138N-N137CA-A138HN 122.614 56.512 7.527 A138N-CA-HN 122.614 55.087 7.522 L139N-A138CA-L139HN 121.073 55.067 8.186 L139N-CA-HN 121.073 57.897 8.186 L140N-L139CA-L140HN 119.041 57.907 8.447 L140N-CA-HN 119.041 58.500 8.447 K141N-L140CA-K141HN 116.524 58.449 7.647 K141N-CA-HN 116.569 58.939 7.652 T142N-K141CA-T142HN 115.519 58.931 7.485 T142N-CA-HN 115.519 66.279 7.483 L143N-T142CA-L143HN 118.152 66.239 7.993 L143N-CA-HN 118.152 56.783 7.990 E144N-L143CA-E144HN 117.662 56.833 7.749 E144N-CA-HN 117.662 58.921 7.748 E145N-E144CA-E145HN 116.814 58.911 6.986 E145N-CA-HN 116.845 53.761 6.983 E148N-P147CA-E148HN 121.386 61.980 8.865 E148N-CA-HN 121.413 59.232 8.863 H149N-CA-HN 110.407 56.911 7.834 V150N-H149CA-V150HN 120.361 56.907 7.184 V150N-CA-HN 120.390 60.455 7.183 K151N-V150CA-K151HN 122.241 60.397 8.529 K151N-CA-HN 122.241 52.828 8.528 F152N-K151CA-F152HN 119.263 52.810 8.772 F152N-CA-HN 119.264 58.108 8.775 L153N-F152CA-L153HN 124.358 58.048 9.754 L153N-CA-HN 124.358 53.601 9.754 L154N-L153CA-L154HN 123.473 53.580 9.514 L154N-CA-HN 123.473 53.320 9.514 A155N-L154CA-A155HN 124.320 53.189 9.000 A155N-CA-HN 124.320 50.419 9.000 T156N-A155CA-T156HN 114.512 50.389 8.613 T156N-CA-HN 114.512 61.100 8.618 T157N-T156CA-T157HN 118.749 61.110 8.942 T157N-CA-HN 118.749 61.722 8.942 D158N-T157CA-D158HN 122.753 61.722 8.795 D158N-CA-HN 122.753 51.724 8.800 Q160N-P159CA-Q160HN 116.013 64.693 8.261 Q160N-CA-HN 116.013 57.807 8.263 K161N-Q160CA-K161HN 117.252 57.787 7.503 K161N-CA-HN 117.307 56.216 7.506 L162N-K161CA-L162HN 120.173 56.171 7.483 L162N-CA-HN 120.159 52.472 7.486 I166N-T165CA-I166HN 117.634 63.569 6.940 I166N-CA-HN 117.634 62.525 6.937 L167N-I166CA-L167HN 120.357 62.575 7.556 L167N-CA-HN 120.357 58.891 7.553 S168N-L167CA-S168HN 109.398 58.821 8.135 S168N-CA-HN 109.398 60.618 8.138 R169N-S168CA-R169HN 119.049 60.708 7.337 R169N-CA-HN 119.049 55.478 7.331 C170N-R169CA-C170HN 113.942 55.430 7.194 C170N-CA-HN 113.954 57.606 7.193 L171N-C170CA-L171HN 124.158 57.656 7.808 L171N-CA-HN 124.158 54.504 7.808 Q172N-L171CA-Q172HN 124.509 54.484 8.171 Q172N-CA-HN 124.509 55.187 8.165 F173N-Q172CA-F173HN 122.285 55.207 8.946 F173N-CA-HN 122.285 57.385 8.943 H174N-F173CA-H174HN 124.437 57.369 9.020 H174N-CA-HN 124.473 55.216 9.020 L175N-H174CA-L175HN 129.698 55.198 8.989 L175N-CA-HN 129.732 56.462 8.987 K176N-L175CA-K176HN 120.737 56.482 9.089 K176N-CA-HN 120.737 55.378 9.093 A177N-K176CA-A177HN 123.399 55.340 8.436 A177N-CA-HN 123.403 52.575 8.439 L178N-A177CA-L178HN 122.553 52.547 8.444 L178N-CA-HN 122.553 54.314 8.440 D179N-L178CA-D179HN 120.151 54.253 8.669 D179N-CA-HN 120.151 53.490 8.666 V180N-D179CA-V180HN 120.352 53.490 8.209 V180N-CA-HN 120.352 66.560 8.212 E181N-V180CA-E181HN 119.460 66.560 8.356 E181N-CA-HN 119.460 58.577 8.353 Q182N-E181CA-Q182HN 118.568 58.570 7.804 Q182N-CA-HN 118.552 59.037 7.801 I183N-Q182CA-I183HN 118.087 58.961 7.706 I183N-CA-HN 118.087 65.777 7.733 R184N-I183CA-R184HN 120.731 65.817 8.736 R184N-CA-HN 120.731 60.839 8.733 H185N-R184CA-H185HN 115.859 60.849 8.465 H185N-CA-HN 115.859 59.875 8.464 Q186N-H185CA-Q186HN 118.886 59.744 7.630 Q186N-CA-HN 118.886 58.038 7.625 L187N-CA-HN 117.918 57.993 8.429 E188N-L187CA-E188HN 118.716 57.998 8.074 E188N-CA-HN 118.775 60.110 8.074 H189N-E188CA-H189HN 117.139 60.076 7.626 H189N-CA-HN 117.139 59.835 7.625 I190N-H189CA-I190HN 119.027 59.795 8.024 I190N-CA-HN 119.050 65.433 8.038 L191N-I190CA-L191HN 117.225 65.456 8.319 L191N-CA-HN 117.225 58.339 8.321 N192N-L191CA-N192HN 117.452 58.339 8.204 N192N-CA-HN 117.452 55.940 8.204 E193N-N192CA-E193HN 122.672 55.940 8.150 E193N-CA-HN 122.672 59.192 8.157 E194N-E193CA-E194HN 115.073 59.176 7.899 E194N-CA-HN 115.073 55.739 7.896 H195N-E194CA-H195HN 115.109 55.715 7.684 H195N-CA-HN 115.109 56.743 7.687 I196N-H195CA-I196HN 120.895 56.713 8.322 I196N-CA-HN 120.895 60.106 8.326 A197N-I196CA-A197HN 133.574 60.146 8.916 A197N-CA-HN 133.574 52.938 8.922 H198N-A197CA-H198HN 115.017 52.918 7.933 H198N-CA-HN 115.081 54.455 7.934 E199N-H198CA-E199HN 118.247 54.448 7.311 E199N-CA-HN 118.214 52.728 7.320 A202N-R201CA-A202HN 120.279 58.871 7.060 A202N-CA-HN 120.279 55.348 7.060 L203N-A202CA-L203HN 113.106 55.340 7.295 L203N-CA-HN 113.106 57.576 7.299 Q204N-L203CA-Q204HN 117.889 57.556 7.480 Q204N-CA-HN 117.894 59.420 7.478 L205N-Q204CA-L205HN 118.129 59.433 7.784 L205N-CA-HN 118.129 57.978 7.775 L206N-L205CA-L206HN 119.664 57.991 7.896 L206N-CA-HN 119.640 58.185 7.894 A207N-L206CA-A207HN 118.170 58.196 8.113 A207N-CA-HN 118.152 55.317 8.114 R208N-A207CA-R208HN 116.665 55.267 7.853 R208N-CA-HN 116.678 59.066 7.854 A209N-R208CA-A209HN 122.012 59.022 7.864 A209N-CA-HN 122.012 53.982 7.867 A210N-A209CA-A210HN 117.825 54.002 7.408 A210N-CA-HN 117.825 53.511 7.418 E211N-A210CA-E211HN 115.915 53.541 7.651 E211N-CA-HN 115.915 57.094 7.654 G212N-E211CA-G212HN 104.012 57.144 8.953 G212N-CA-HN 104.012 46.052 8.950 S213N-G212CA-S213HN 112.869 45.989 7.306 S213N-CA-HN 112.886 55.016 7.302 L214N-S213CA-L214HN 131.949 54.986 8.953 L214N-CA-HN 131.949 57.867 8.959 R215N-L214CA-R215HN 118.067 57.837 8.342 R215N-CA-HN 118.067 60.146 8.336 D216N-R215CA-D216HN 121.564 60.137 8.366 D216N-CA-HN 121.564 57.331 8.367 A217N-D216CA-A217HN 122.136 57.365 8.164 A217N-CA-HN 122.136 55.639 8.164 L218N-A217CA-L218HN 120.055 55.609 8.514 L218N-CA-HN 120.055 58.369 8.518 S219N-L218CA-S219HN 115.608 58.364 8.041 S219N-CA-HN 115.618 62.053 8.037 L220N-S219CA-L220HN 122.257 62.103 8.711 L220N-CA-HN 122.257 57.998 8.715 T221N-L220CA-T221HN 118.247 58.008 8.009 T221N-CA-HN 118.306 68.480 8.015 D222N-T221CA-D222HN 122.203 68.518 8.376 D222N-CA-HN 122.203 58.309 8.385 Q223N-D222CA-Q223HN 120.202 58.249 7.852 Q223N-CA-HN 120.202 59.082 7.857 A224N-Q223CA-A224HN 125.118 59.052 8.509 A224N-CA-HN 125.118 55.528 8.512 I225N-A224CA-I225HN 119.913 55.578 8.513 I225N-CA-HN 119.869 65.684 8.512 A226N-I225CA-A226HN 120.117 65.697 7.606 A226N-CA-HN 120.117 54.655 7.606 S227N-A226CA-S227HN 112.767 54.655 8.076 S227N-CA-HN 112.767 60.337 8.084 G228N-S227CA-G228HN 110.108 60.317 7.927 G228N-CA-HN 110.108 45.189 7.925 D229N-G228CA-D229HN 120.196 45.129 8.145 D229N-CA-HN 120.196 54.876 8.147 G230N-D229CA-G230HN 105.280 54.846 8.710 G230N-CA-HN 105.280 45.741 8.710 Q231N-G230CA-Q231HN 116.425 45.701 7.503 Q231N-CA-HN 116.425 54.033 7.508 V232N-Q231CA-V232HN 122.471 54.012 8.547 V232N-CA-HN 122.472 61.905 8.551 S233N-V232CA-S233HN 118.886 61.903 7.633 S233N-CA-HN 118.886 55.609 7.638 T234N-S233CA-T234HN 121.560 55.568 9.533 T234N-CA-HN 121.560 67.885 9.539 A236N-Q235CA-A236HN 121.963 59.534 7.815 A236N-CA-HN 121.995 55.069 7.811 V237N-A236CA-V237HN 117.445 54.999 8.178 V237N-CA-HN 117.445 66.883 8.182 S238N-V237CA-S238HN 115.108 66.882 8.719 S238N-CA-HN 115.108 62.154 8.721 A239N-S238CA-A239HN 122.119 62.164 7.637 A239N-CA-HN 122.119 54.545 7.635 M240N-A239CA-M240HN 117.005 54.514 7.572 M240N-CA-HN 117.005 57.777 7.578 L241N-M240CA-L241HN 118.207 57.827 7.794 L241N-CA-HN 118.190 55.621 7.797 G242N-L241CA-G242HN 113.427 55.639 7.588 G242N-CA-HN 113.427 46.761 7.592 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 2 2 . . N 15 15N . . . . . . . . . . 50595 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_3 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 119.950 57.255 8.077 ?-?-? 119.950 58.612 8.077 ?-?-? 119.950 33.934 8.078 Y3N-S2CA-Y3HN 121.666 58.138 7.991 Y3N-S2CB-Y3HN 121.690 63.849 7.995 Y3N-CA-HN 121.666 57.600 7.998 Y3N-CB-HN 121.666 38.934 7.998 Q4N-Y3CA-Q4HN 121.973 57.564 8.335 Q4N-Y3CB-Q4HN 121.973 39.059 8.337 Q4N-CA-HN 121.973 55.731 8.341 Q4N-CB-HN 121.973 30.087 8.336 V5N-Q4CA-V5HN 120.902 55.719 8.014 V5N-Q4CB-V5HN 120.902 30.077 8.008 V5N-CA-HN 120.898 62.989 8.015 V5N-CB-HN 120.902 32.005 8.005 W10N-CA-HN 116.714 58.290 8.121 W10N-CB-HN 116.714 27.493 8.123 R11N-W10CA-R11HN 123.554 58.231 6.923 R11N-CA-HN 123.554 54.314 6.923 R11N-CB-HN 123.554 30.434 6.920 Q13N-P12CA-Q13HN 120.964 63.098 9.329 Q13N-P12CB-Q13HN 120.964 32.529 9.326 Q13N-CA-HN 120.964 56.233 9.331 Q13N-CB-HN 120.964 30.734 9.322 T14N-Q13CA-T14HN 109.029 56.078 7.849 T14N-Q13CB-T14HN 109.068 31.061 7.860 T14N-CA-HN 109.029 59.751 7.843 T14N-CB-HN 109.029 72.258 7.843 F15N-CA-HN 120.211 60.520 8.736 F15N-CB-HN 120.194 38.037 8.723 A16N-F15CA-A16HN 119.487 60.600 7.977 A16N-F15CB-A16HN 119.472 38.201 7.983 A16N-CA-HN 119.487 54.040 7.981 A16N-CB-HN 119.487 18.624 7.977 D17N-A16CA-D17HN 114.794 54.013 7.377 D17N-A16CB-D17HN 114.819 18.565 7.381 D17N-CA-HN 114.819 54.921 7.384 D17N-CB-HN 114.806 43.368 7.379 V18N-D17CA-V18HN 121.715 54.719 7.397 V18N-D17CB-V18HN 121.715 43.401 7.392 V18N-CA-HN 121.715 63.350 7.388 V18N-CB-HN 121.715 31.707 7.388 V19N-V18CA-V19HN 128.456 63.362 7.989 V19N-CA-HN 128.456 62.207 7.986 V19N-CB-HN 128.456 32.576 7.977 G20N-V19CA-G20HN 113.695 62.043 8.669 G20N-CA-HN 113.695 45.670 8.681 E22N-CA-HN 121.421 61.629 9.605 E22N-CB-HN 121.421 29.091 9.600 V24N-H23CA-V24HN 121.217 59.186 7.047 V24N-CA-HN 121.249 64.457 7.041 V24N-CB-HN 121.249 32.874 7.044 L25N-CA-HN 118.218 58.083 8.053 L25N-CB-HN 118.218 41.014 8.057 T26N-L25CA-T26HN 114.537 58.028 8.300 T26N-L25CB-T26HN 114.537 41.025 8.300 T26N-CA-HN 114.537 66.394 8.305 T26N-CB-HN 114.537 68.700 8.305 A27N-T26CA-A27HN 123.491 66.442 7.060 A27N-T26CB-A27HN 123.491 68.725 7.060 A27N-CA-HN 123.532 55.212 7.061 A27N-CB-HN 123.527 18.973 7.059 L28N-A27CA-L28HN 119.564 55.088 8.209 L28N-A27CB-L28HN 119.564 19.065 8.206 L28N-CA-HN 119.564 57.659 8.209 L28N-CB-HN 119.564 42.195 8.219 A29N-L28CA-A29HN 120.843 57.767 8.487 A29N-L28CB-A29HN 120.904 42.199 8.492 A29N-CA-HN 120.843 55.707 8.486 A29N-CB-HN 120.843 18.148 8.489 N30N-A29CA-N30HN 116.818 55.483 8.201 N30N-A29CB-N30HN 116.818 17.984 8.198 N30N-CA-HN 116.818 56.408 8.208 N30N-CB-HN 116.818 38.599 8.201 G31N-N30CA-G31HN 106.256 56.342 7.831 G31N-N30CB-G31HN 106.256 38.599 7.823 G31N-CA-HN 106.282 47.925 7.827 L32N-G31CA-L32HN 120.902 47.945 8.130 L32N-CA-HN 120.902 58.290 8.130 L32N-CB-HN 120.902 42.160 8.127 S33N-L32CA-S33HN 113.997 58.333 8.239 S33N-L32CB-S33HN 113.997 42.211 8.242 S33N-CA-HN 113.997 61.433 8.239 S33N-CB-HN 113.997 63.305 8.233 L34N-S33CA-L34HN 118.921 61.564 7.648 L34N-CA-HN 118.921 55.064 7.652 L34N-CB-HN 118.921 43.112 7.648 G35N-L34CA-G35HN 108.688 55.091 7.878 G35N-L34CB-G35HN 108.714 42.992 7.882 G35N-CA-HN 108.688 46.366 7.873 R36N-G35CA-R36HN 122.642 46.374 8.298 R36N-CA-HN 122.642 54.957 8.297 R36N-CB-HN 122.642 30.053 8.295 I37N-R36CA-I37HN 123.151 54.802 8.032 I37N-R36CB-I37HN 123.115 29.919 8.034 I37N-CA-HN 123.151 58.957 8.032 I37N-CB-HN 123.151 38.612 8.032 H38N-CA-HN 129.043 56.469 8.209 H38N-CB-HN 129.043 32.184 8.213 A40N-H39CA-A40HN 121.503 57.826 7.728 A40N-H39CB-A40HN 121.433 31.501 7.728 A40N-H39CB-A40HN 121.503 31.443 7.720 A40N-CA-HN 121.503 51.481 7.728 A40N-CB-HN 121.503 22.767 7.728 Y41N-A40CA-Y41HN 122.768 51.410 8.944 Y41N-A40CB-Y41HN 122.768 22.624 8.946 Y41N-CA-HN 122.768 56.826 8.949 Y41N-CB-HN 122.768 42.648 8.940 L42N-Y41CA-L42HN 124.153 56.832 8.950 L42N-Y41CB-L42HN 124.153 42.450 8.953 L42N-CA-HN 124.153 53.046 8.953 L42N-CB-HN 124.153 45.289 8.957 F43N-L42CA-F43HN 126.529 53.079 9.641 F43N-L42CB-F43HN 126.529 45.257 9.633 F43N-CA-HN 126.529 56.625 9.644 F43N-CB-HN 126.529 40.720 9.633 S44N-F43CA-S44HN 118.818 56.658 9.331 S44N-F43CB-S44HN 118.818 40.807 9.329 S44N-CA-HN 118.818 56.375 9.322 S44N-CB-HN 118.818 66.884 9.325 G45N-S44CA-G45HN 107.468 56.418 7.456 G45N-S44CB-G45HN 107.468 66.856 7.477 G45N-CA-HN 107.468 44.735 7.458 T46N-G45CA-T46HN 113.941 44.682 8.479 T46N-CA-HN 113.941 62.728 8.480 T46N-CB-HN 113.941 69.919 8.474 R47N-T46CA-R47HN 122.077 62.659 8.353 R47N-T46CB-R47HN 122.077 69.921 8.355 R47N-CA-HN 122.077 58.231 8.356 R47N-CB-HN 122.077 30.065 8.347 G48N-R47CA-G48HN 115.271 58.257 10.526 G48N-CA-HN 115.271 45.768 10.517 V49N-G48CA-V49HN 116.071 45.945 7.933 V49N-CA-HN 116.071 62.612 7.933 V49N-CB-HN 116.071 32.207 7.928 G50N-CA-HN 112.247 45.474 9.453 K51N-G50CA-K51HN 124.942 45.616 10.790 K51N-CB-HN 124.942 30.645 10.778 T52N-K51CA-T52HN 106.531 61.325 8.301 T52N-K51CB-T52HN 106.531 30.821 8.292 T52N-CA-HN 106.531 65.121 8.305 T52N-CB-HN 106.531 68.548 8.301 S53N-T52CA-S53HN 119.728 65.005 7.751 S53N-T52CB-S53HN 119.728 68.442 7.750 S53N-CA-HN 119.728 61.564 7.754 S53N-CB-HN 119.728 62.481 7.757 I54N-S53CA-I54HN 122.017 61.493 8.133 I54N-CA-HN 122.017 64.564 8.133 I54N-CB-HN 122.017 36.350 8.132 A55N-I54CA-A55HN 121.263 64.624 7.490 A55N-I54CB-A55HN 121.263 36.398 7.487 A55N-CA-HN 121.263 55.231 7.487 A55N-CB-HN 121.263 18.100 7.487 R56N-A55CA-R56HN 117.497 55.256 8.045 R56N-A55CB-R56HN 117.504 18.136 8.051 R56N-CA-HN 117.504 60.520 8.047 R56N-CB-HN 117.504 29.798 8.044 L57N-R56CA-L57HN 119.006 60.612 7.449 L57N-R56CB-L57HN 119.006 29.963 7.452 L57N-CA-HN 119.052 57.740 7.443 L57N-CB-HN 119.006 41.695 7.438 L58N-L57CA-L58HN 121.765 57.752 8.246 L58N-L57CB-L58HN 121.765 41.805 8.253 L58N-CA-HN 121.765 58.369 8.248 L58N-CB-HN 121.765 41.541 8.254 A59N-L58CA-A59HN 120.516 58.322 8.324 A59N-L58CB-A59HN 120.516 41.588 8.331 A59N-CA-HN 120.516 55.921 8.330 A59N-CB-HN 120.516 18.422 8.327 K60N-A59CA-K60HN 118.730 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C170N-CB-HN 113.954 30.767 7.196 L171N-C170CA-L171HN 124.158 57.636 7.810 L171N-C170CB-L171HN 124.158 30.826 7.803 L171N-CA-HN 124.170 54.491 7.809 L171N-CB-HN 124.158 41.743 7.810 Q172N-L171CA-Q172HN 124.509 54.505 8.164 Q172N-L171CB-Q172HN 124.509 41.767 8.164 Q172N-CA-HN 124.509 55.219 8.169 Q172N-CB-HN 124.565 30.878 8.168 F173N-Q172CA-F173HN 122.285 55.183 8.940 F173N-Q172CB-F173HN 122.285 30.922 8.943 F173N-CA-HN 122.285 57.338 8.947 F173N-CB-HN 122.285 42.695 8.943 H174N-F173CA-H174HN 124.425 57.265 9.021 H174N-F173CB-H174HN 124.425 42.729 9.018 H174N-CA-HN 124.425 55.152 9.012 H174N-CB-HN 124.480 31.446 9.020 L175N-H174CA-L175HN 129.732 55.243 8.987 L175N-H174CB-L175HN 129.774 31.461 8.972 L175N-CA-HN 129.732 56.440 8.987 L175N-CB-HN 129.732 42.961 8.987 K176N-L175CA-K176HN 120.737 56.375 9.087 K176N-L175CB-K176HN 120.737 42.958 9.083 K176N-CA-HN 120.737 55.298 9.091 K176N-CB-HN 120.737 35.760 9.087 A177N-K176CA-A177HN 123.406 55.279 8.435 A177N-K176CB-A177HN 123.372 35.757 8.434 A177N-CA-HN 123.408 52.468 8.437 A177N-CB-HN 123.406 19.208 8.435 L178N-A177CA-L178HN 122.568 52.533 8.441 L178N-A177CB-L178HN 122.595 19.141 8.437 L178N-CA-HN 122.553 54.243 8.443 L178N-CB-HN 122.553 43.076 8.441 D179N-L178CA-D179HN 120.151 54.302 8.666 D179N-CA-HN 120.151 53.398 8.666 D179N-CB-HN 120.151 42.803 8.661 V180N-D179CA-V180HN 120.352 53.386 8.209 V180N-D179CB-V180HN 120.352 42.755 8.213 V180N-CA-HN 120.352 66.564 8.210 V180N-CB-HN 120.352 32.041 8.209 E181N-V180CA-E181HN 119.461 66.453 8.349 E181N-V180CB-E181HN 119.460 31.969 8.356 E181N-CA-HN 119.460 58.528 8.355 E181N-CB-HN 119.460 28.946 8.350 Q182N-E181CA-Q182HN 118.568 58.588 7.798 Q182N-E181CB-Q182HN 118.597 28.735 7.810 Q182N-CA-HN 118.568 59.084 7.803 Q182N-CB-HN 118.561 30.046 7.802 I183N-CA-HN 118.087 65.826 7.733 I183N-CB-HN 118.087 37.850 7.736 R184N-I183CA-R184HN 120.731 65.736 8.739 R184N-CA-HN 120.731 60.814 8.734 R184N-CB-HN 120.731 29.719 8.737 H185N-R184CA-H185HN 115.859 60.879 8.469 H185N-CA-HN 115.859 59.867 8.467 H185N-CB-HN 115.859 30.016 8.467 Q186N-H185CB-Q186HN 118.886 30.279 7.629 Q186N-CA-HN 118.886 58.028 7.630 Q186N-CB-HN 118.886 27.553 7.630 L187N-Q186CB-L187HN 117.934 27.496 8.426 L187N-CA-HN 117.934 58.028 8.427 L187N-CB-HN 117.934 42.363 8.427 E188N-L187CA-E188HN 118.716 57.874 8.080 E188N-CA-HN 118.743 60.069 8.073 E188N-CB-HN 118.716 29.862 8.077 H189N-CA-HN 117.139 59.909 7.625 H189N-CB-HN 117.139 29.946 7.623 I190N-H189CA-I190HN 119.027 59.874 8.045 I190N-H189CB-I190HN 119.027 30.017 8.056 I190N-CA-HN 119.021 65.396 8.038 I190N-CB-HN 119.043 38.217 8.037 L191N-I190CA-L191HN 117.225 65.415 8.327 L191N-I190CB-L191HN 117.225 38.262 8.318 L191N-CA-HN 117.225 58.279 8.323 L191N-CB-HN 117.225 39.763 8.318 N192N-L191CA-N192HN 117.452 58.314 8.200 N192N-L191CB-N192HN 117.452 39.660 8.210 N192N-CA-HN 117.452 55.898 8.206 N192N-CB-HN 117.430 37.994 8.205 E193N-N192CA-E193HN 122.672 55.874 8.144 E193N-N192CB-E193HN 122.672 37.529 8.149 E193N-CA-HN 122.695 59.149 8.153 E193N-CB-HN 122.672 29.612 8.154 E194N-E193CA-E194HN 115.073 59.017 7.896 E194N-CA-HN 115.073 55.719 7.894 E194N-CB-HN 115.073 30.350 7.896 H195N-E194CA-H195HN 115.109 55.624 7.686 H195N-CA-HN 115.109 56.695 7.686 H195N-CB-HN 115.109 26.255 7.686 I196N-H195CA-I196HN 120.895 56.612 8.324 I196N-H195CB-I196HN 120.895 26.219 8.330 I196N-CA-HN 120.895 60.112 8.327 I196N-CB-HN 120.895 39.374 8.324 A197N-CA-HN 133.574 52.850 8.924 A197N-CB-HN 133.574 19.126 8.928 H198N-A197CA-H198HN 115.017 52.874 7.939 H198N-A197CB-H198HN 115.017 19.398 7.928 H198N-CA-HN 115.017 54.326 7.936 H198N-CB-HN 115.079 33.012 7.937 E199N-H198CA-E199HN 118.214 54.362 7.317 E199N-H198CB-E199HN 118.214 32.874 7.311 E199N-CA-HN 118.214 52.636 7.320 E199N-CB-HN 118.214 31.933 7.322 A202N-R201CA-A202HN 120.330 58.902 7.059 A202N-R201CB-A202HN 120.279 29.636 7.061 A202N-CA-HN 120.279 55.314 7.056 A202N-CB-HN 120.279 18.791 7.054 L203N-A202CA-L203HN 113.106 55.253 7.298 L203N-A202CB-L203HN 113.106 18.901 7.291 L203N-CA-HN 113.106 57.578 7.300 L203N-CB-HN 113.106 41.285 7.303 Q204N-L203CA-Q204HN 117.889 57.552 7.479 Q204N-CA-HN 117.889 59.421 7.478 Q204N-CB-HN 117.889 28.386 7.475 L205N-Q204CA-L205HN 118.129 59.386 7.770 L205N-CA-HN 118.129 57.981 7.770 L205N-CB-HN 118.129 42.423 7.754 L206N-L205CA-L206HN 119.664 57.933 7.889 L206N-CA-HN 119.664 58.207 7.896 L206N-CB-HN 119.664 42.957 7.886 A207N-L206CA-A207HN 118.152 58.170 8.108 A207N-L206CB-A207HN 118.152 42.983 8.118 A207N-CA-HN 118.163 55.217 8.113 A207N-CB-HN 118.150 19.100 8.112 R208N-A207CA-R208HN 116.654 55.176 7.848 R208N-A207CB-R208HN 116.673 19.089 7.850 R208N-CA-HN 116.665 59.037 7.854 R208N-CB-HN 116.665 30.422 7.848 A209N-R208CA-A209HN 122.012 58.909 7.870 A209N-R208CB-A209HN 122.012 30.433 7.858 A209N-CA-HN 122.012 53.898 7.864 A209N-CB-HN 122.012 19.196 7.862 A210N-A209CA-A210HN 117.825 54.076 7.420 A210N-A209CB-A210HN 117.825 19.372 7.412 A210N-CA-HN 117.825 53.493 7.418 A210N-CB-HN 117.825 19.136 7.415 E211N-A210CA-E211HN 115.915 53.457 7.656 E211N-A210CB-E211HN 115.915 19.017 7.647 E211N-CA-HN 115.915 57.088 7.656 E211N-CB-HN 115.915 28.207 7.650 G212N-E211CA-G212HN 104.012 57.088 8.953 G212N-CA-HN 104.012 46.112 8.955 S213N-G212CA-S213HN 112.886 46.124 7.306 S213N-CA-HN 112.886 54.981 7.303 S213N-CB-HN 112.886 63.731 7.298 L214N-S213CA-L214HN 131.949 54.993 8.943 L214N-S213CB-L214HN 131.949 63.827 8.955 L214N-CA-HN 131.949 57.887 8.958 L214N-CB-HN 131.953 41.808 8.948 R215N-L214CA-R215HN 118.067 57.778 8.345 R215N-L214CB-R215HN 118.067 41.688 8.333 R215N-CA-HN 118.067 60.085 8.330 R215N-CB-HN 118.067 29.613 8.341 D216N-R215CA-D216HN 121.564 60.155 8.367 D216N-CA-HN 121.564 57.290 8.361 D216N-CB-HN 121.564 39.410 8.363 A217N-D216CA-A217HN 122.136 57.374 8.152 A217N-D216CB-A217HN 122.136 39.434 8.160 A217N-CA-HN 122.136 55.624 8.157 A217N-CB-HN 122.136 18.874 8.163 L218N-A217CA-L218HN 120.055 55.469 8.514 L218N-A217CB-L218HN 120.055 18.898 8.518 L218N-CA-HN 120.055 58.338 8.520 L218N-CB-HN 120.055 41.314 8.513 S219N-L218CA-S219HN 115.407 58.608 8.026 S219N-L218CA-S219HN 115.618 58.351 8.040 S219N-L218CB-S219HN 115.618 41.289 8.040 S219N-CA-HN 115.618 62.005 8.045 S219N-CB-HN 115.618 62.850 8.045 L220N-CA-HN 122.257 57.996 8.711 L220N-CB-HN 122.257 43.146 8.712 T221N-L220CA-T221HN 118.247 57.909 8.019 T221N-L220CB-T221HN 118.247 43.053 8.022 T221N-CA-HN 118.247 68.592 8.012 T221N-CB-HN 118.247 67.036 8.012 D222N-CA-HN 122.203 58.243 8.396 D222N-CB-HN 122.203 40.981 8.368 Q223N-D222CA-Q223HN 120.164 58.306 7.856 Q223N-D222CB-Q223HN 120.202 40.981 7.855 Q223N-CA-HN 120.202 59.017 7.849 Q223N-CB-HN 120.202 28.505 7.852 A224N-Q223CA-A224HN 125.070 59.026 8.513 A224N-Q223CB-A224HN 125.118 28.481 8.508 A224N-CA-HN 125.118 55.469 8.511 A224N-CB-HN 125.118 18.850 8.504 I225N-A224CA-I225HN 119.913 55.469 8.507 I225N-A224CB-I225HN 119.913 18.881 8.515 I225N-CA-HN 119.913 65.755 8.513 I225N-CB-HN 119.934 38.408 8.506 A226N-I225CA-A226HN 120.117 65.671 7.600 A226N-CA-HN 120.117 54.648 7.603 A226N-CB-HN 120.117 18.672 7.606 S227N-A226CA-S227HN 112.767 54.569 8.081 S227N-A226CB-S227HN 112.767 18.560 8.081 S227N-CA-HN 112.767 60.346 8.081 S227N-CB-HN 112.767 63.859 8.084 G228N-S227CA-G228HN 110.108 60.269 7.912 G228N-S227CB-G228HN 110.108 63.783 7.911 G228N-CA-HN 110.108 45.235 7.921 D229N-G228CA-D229HN 120.196 45.267 8.151 D229N-CA-HN 120.196 54.850 8.148 D229N-CB-HN 120.196 40.124 8.146 G230N-D229CA-G230HN 105.280 54.850 8.702 G230N-D229CB-G230HN 105.280 40.076 8.712 G230N-CA-HN 105.280 45.683 8.712 Q231N-G230CA-Q231HN 116.425 45.600 7.501 Q231N-CA-HN 116.425 53.862 7.501 Q231N-CB-HN 116.425 31.386 7.504 V232N-Q231CA-V232HN 122.473 53.905 8.546 V232N-Q231CB-V232HN 122.471 31.513 8.545 V232N-CA-HN 122.471 61.969 8.550 V232N-CB-HN 122.471 30.493 8.550 S233N-CA-HN 118.886 55.540 7.630 S233N-CB-HN 118.830 65.897 7.635 T234N-S233CA-T234HN 121.560 55.461 9.542 T234N-S233CB-T234HN 121.560 65.937 9.541 A236N-Q235CA-A236HN 121.963 59.469 7.815 A236N-Q235CB-A236HN 121.963 28.236 7.811 A236N-CA-HN 121.963 54.993 7.810 A236N-CB-HN 121.963 18.565 7.810 V237N-A236CA-V237HN 117.442 55.001 8.178 V237N-A236CB-V237HN 117.445 18.640 8.176 V237N-CA-HN 117.445 66.916 8.175 V237N-CB-HN 117.445 31.929 8.176 S238N-V237CA-S238HN 115.108 66.916 8.726 S238N-V237CB-S238HN 115.096 31.926 8.719 S238N-CA-HN 115.108 62.032 8.718 A239N-S238CA-A239HN 122.119 61.945 7.644 A239N-CA-HN 122.115 54.463 7.633 A239N-CB-HN 122.119 18.374 7.630 M240N-A239CA-M240HN 117.005 54.433 7.580 M240N-A239CB-M240HN 116.941 18.393 7.577 M240N-CA-HN 117.005 57.826 7.577 M240N-CB-HN 116.956 33.856 7.575 L241N-M240CA-L241HN 118.207 57.886 7.786 L241N-M240CB-L241HN 118.207 33.898 7.797 L241N-CA-HN 118.207 55.540 7.794 L241N-CB-HN 118.207 42.386 7.797 G242N-L241CA-G242HN 113.427 55.517 7.590 G242N-L241CB-G242HN 113.427 42.350 7.590 G242N-CA-HN 113.481 46.598 7.590 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 3 2 . . N 15 15N . . . . . . . . . . 50595 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_4 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 119.950 177.526 8.072 Y3N-S2C-Y3HN 121.666 173.775 7.997 Q4N-Y3C-Q4HN 121.973 175.460 8.339 V5N-Q4C-V5HN 120.902 175.123 8.015 W10N-K9C-W10HN 116.772 177.456 8.122 R11N-W10C-R11HN 123.576 175.458 6.926 Q13N-P12C-Q13HN 120.964 176.512 9.331 T14N-Q13C-T14HN 109.104 175.805 7.845 F15N-T14C-F15HN 120.211 174.939 8.731 A16N-F15C-A16HN 119.487 177.398 7.980 D17N-A16C-D17HN 114.819 177.778 7.378 V18N-D17C-V18HN 121.715 176.627 7.392 V19N-V18C-V19HN 128.468 175.510 7.978 G20N-V19C-G20HN 113.695 176.159 8.675 E22N-Q21C-E22HN 121.421 178.334 9.602 V24N-H23C-V24HN 121.249 177.500 7.046 L25N-V24C-L25HN 118.218 176.710 8.064 T26N-L25C-T26HN 114.537 179.477 8.301 A27N-T26C-A27HN 123.523 176.119 7.063 L28N-A27C-L28HN 119.564 181.803 8.207 A29N-L28C-A29HN 120.843 178.447 8.484 N30N-A29C-N30HN 116.818 179.975 8.204 G31N-N30C-G31HN 106.256 177.603 7.830 L32N-G31C-L32HN 120.902 175.883 8.131 S33N-L32C-S33HN 113.997 179.378 8.240 L34N-S33C-L34HN 118.921 175.798 7.646 G35N-L34C-G35HN 108.688 177.742 7.877 R36N-G35C-R36HN 122.642 174.112 8.298 I37N-R36C-I37HN 123.151 173.705 8.034 H38N-I37C-H38HN 129.043 175.642 8.209 A40N-H39C-A40HN 121.503 175.059 7.728 Y41N-A40C-Y41HN 122.798 174.594 8.951 L42N-Y41C-L42HN 124.153 173.143 8.947 F43N-L42C-F43HN 126.529 173.404 9.636 S44N-F43C-S44HN 118.818 174.268 9.330 G45N-S44C-G45HN 107.468 173.491 7.453 T46N-G45C-T46HN 113.941 173.334 8.476 R47N-T46C-R47HN 122.077 173.534 8.355 G48N-R47C-G48HN 115.271 177.638 10.517 V49N-G48C-V49HN 116.071 176.841 7.928 G50N-V49C-G50HN 112.247 175.039 9.458 K51N-G50C-K51HN 124.942 175.701 10.787 T52N-K51C-T52HN 106.531 178.833 8.303 S53N-T52C-S53HN 119.728 176.820 7.754 I54N-S53C-I54HN 122.017 176.483 8.134 A55N-I54C-A55HN 121.263 176.980 7.490 R56N-A55C-R56HN 117.512 178.346 8.047 L57N-R56C-L57HN 119.006 178.067 7.443 L58N-L57C-L58HN 121.765 179.164 8.249 A59N-L58C-A59HN 120.516 177.676 8.331 K60N-A59C-K60HN 118.736 179.380 8.219 G61N-K60C-G61HN 108.215 179.558 8.417 L62N-G61C-L62HN 115.360 174.993 8.207 N63N-L62C-N63HN 112.260 178.351 7.178 C64N-N63C-C64HN 125.611 174.556 7.380 E65N-C64C-E65HN 135.049 177.290 9.798 T66N-E65C-T66HN 112.531 178.218 9.134 G67N-T66C-G67HN 110.543 174.692 7.325 I68N-G67C-I68HN 117.636 181.520 7.839 T69N-I68C-T69HN 123.957 178.104 8.611 A70N-T69C-A70HN 124.856 180.952 8.383 T71N-A70C-T71HN 111.546 176.942 9.138 C73N-P72C-C73HN 127.189 177.470 8.791 G74N-C73C-G74HN 114.806 176.920 9.317 V75N-G74C-V75HN 117.571 173.690 8.956 C76N-V75C-C76HN 124.849 175.803 7.462 D77N-C76C-D77HN 120.725 173.994 8.693 N78N-D77C-N78HN 119.148 177.264 7.893 C79N-N78C-C79HN 121.839 176.362 8.944 R80N-C79C-R80HN 117.660 178.444 8.388 E81N-R80C-E81HN 118.053 179.407 8.479 I82N-E81C-I82HN 120.882 179.931 8.171 E83N-I82C-E83HN 121.739 179.233 7.839 Q84N-E83C-Q84HN 113.882 177.997 7.618 G85N-Q84C-G85HN 108.949 176.400 7.836 R86N-G85C-R86HN 117.476 174.921 8.176 F87N-R86C-F87HN 123.406 174.460 8.435 V88N-F87C-V88HN 127.501 177.157 8.466 L90N-D89C-L90HN 122.253 172.822 7.445 I91N-L90C-I91HN 129.732 173.294 8.999 E92N-I91C-E92HN 127.162 174.374 8.577 I93N-E92C-I93HN 125.665 176.153 9.304 D94N-I93C-D94HN 127.865 174.094 8.842 A95N-D94C-A95HN 126.935 177.098 8.458 A96N-A95C-A96HN 117.187 177.244 8.013 S97N-A96C-S97HN 112.596 178.447 7.207 V101N-K100C-V101HN 119.827 177.109 7.817 E102N-V101C-E102HN 121.698 177.189 8.576 D103N-E102C-D103HN 120.506 177.066 8.033 T104N-D103C-T104HN 114.466 177.388 8.119 R105N-T104C-R105HN 121.631 175.068 7.934 D106N-R105C-D106HN 119.936 177.323 8.160 L107N-D106C-L107HN 121.110 178.024 8.097 L108N-L107C-L108HN 117.433 178.902 8.112 D109N-L108C-D109HN 119.859 177.406 7.826 V111N-N110C-V111HN 119.834 176.038 7.619 Y113N-Q112C-Y113HN 119.289 175.980 7.361 A116N-P115C-A116HN 128.313 175.915 10.062 R117N-A116C-R117HN 119.833 178.839 10.113 G118N-R117C-G118HN 108.594 177.209 9.848 R119N-G118C-R119HN 119.675 171.463 8.163 F120N-R119C-F120HN 113.600 175.991 8.356 K121N-F120C-K121HN 122.606 175.155 9.197 V122N-K121C-V122HN 125.990 174.280 8.818 Y123N-V122C-Y123HN 126.179 173.732 8.431 L124N-Y123C-L124HN 129.239 173.653 9.301 I125N-L124C-I125HN 124.768 175.480 9.004 D126N-I125C-D126HN 127.660 173.856 9.053 E127N-D126C-E127HN 121.668 175.578 8.159 V128N-E127C-V128HN 114.896 178.143 8.103 H129N-V128C-H129HN 115.356 173.657 8.021 M130N-H129C-M130HN 118.320 175.064 7.968 L131N-M130C-L131HN 119.636 176.349 6.977 S132N-L131C-S132HN 114.739 175.654 8.285 S135N-H134C-S135HN 118.285 179.023 7.903 F136N-S135C-F136HN 122.664 175.835 8.973 N137N-F136C-N137HN 117.399 177.798 8.190 A138N-N137C-A138HN 122.614 177.425 7.523 L139N-A138C-L139HN 121.073 180.229 8.184 L140N-L139C-L140HN 119.041 177.644 8.447 K141N-L140C-K141HN 116.524 178.094 7.653 T142N-K141C-T142HN 115.519 179.640 7.481 L143N-T142C-L143HN 118.152 175.097 7.993 E144N-L143C-E144HN 117.662 177.954 7.753 E145N-E144C-E145HN 116.814 177.087 6.985 E148N-P147C-E148HN 121.402 177.967 8.862 H149N-E148C-H149HN 110.458 177.232 7.838 V150N-H149C-V150HN 120.343 173.879 7.180 K151N-V150C-K151HN 122.241 174.553 8.526 F152N-K151C-F152HN 119.281 174.610 8.773 L153N-F152C-L153HN 124.358 173.734 9.760 L154N-L153C-L154HN 123.473 173.433 9.511 A155N-L154C-A155HN 124.320 175.155 8.998 T156N-A155C-T156HN 114.512 176.704 8.613 T157N-T156C-T157HN 118.749 172.187 8.946 D158N-T157C-D158HN 122.753 176.321 8.798 Q160N-P159C-Q160HN 116.013 177.423 8.260 K161N-Q160C-K161HN 117.252 177.243 7.503 L162N-K161C-L162HN 120.173 176.868 7.489 I166N-T165C-I166HN 117.634 176.071 6.935 L167N-I166C-L167HN 120.357 177.398 7.556 S168N-L167C-S168HN 109.410 178.950 8.136 R169N-S168C-R169HN 119.049 175.075 7.331 C170N-R169C-C170HN 113.954 175.236 7.191 L171N-C170C-L171HN 124.158 174.283 7.806 Q172N-L171C-Q172HN 124.542 175.237 8.170 F173N-Q172C-F173HN 122.285 174.684 8.945 H174N-F173C-H174HN 124.425 173.280 9.023 L175N-H174C-L175HN 129.732 175.109 8.991 K176N-L175C-K176HN 120.737 175.800 9.092 A177N-K176C-A177HN 123.406 176.622 8.440 L178N-A177C-L178HN 122.553 177.799 8.446 D179N-L178C-D179HN 120.151 176.777 8.664 V180N-D179C-V180HN 120.352 176.895 8.211 E181N-V180C-E181HN 119.460 177.457 8.351 Q182N-E181C-Q182HN 118.568 178.859 7.805 I183N-Q182C-I183HN 118.087 179.640 7.733 R184N-I183C-R184HN 120.731 176.815 8.735 H185N-R184C-H185HN 115.859 177.647 8.470 Q186N-H185C-Q186HN 118.886 177.698 7.633 L187N-Q186C-L187HN 117.934 177.969 8.429 E188N-L187C-E188HN 118.716 177.687 8.076 H189N-E188C-H189HN 117.110 177.054 7.625 I190N-H189C-I190HN 119.027 177.157 8.036 L191N-I190C-L191HN 117.225 177.534 8.323 N192N-L191C-N192HN 117.452 179.491 8.202 E193N-N192C-E193HN 122.672 179.539 8.151 E194N-E193C-E194HN 115.073 178.581 7.898 H195N-E194C-H195HN 115.149 175.771 7.686 I196N-H195C-I196HN 120.895 174.219 8.323 A197N-I196C-A197HN 133.554 175.795 8.926 H198N-A197C-H198HN 115.017 176.044 7.939 E199N-H198C-E199HN 118.214 173.282 7.319 A202N-R201C-A202HN 120.279 178.008 7.059 L203N-A202C-L203HN 113.106 178.965 7.300 Q204N-L203C-Q204HN 117.899 178.878 7.478 L205N-Q204C-L205HN 118.129 178.347 7.773 L206N-L205C-L206HN 119.664 180.315 7.893 A207N-L206C-A207HN 118.153 177.514 8.113 R208N-A207C-R208HN 116.665 179.517 7.851 A209N-R208C-A209HN 122.012 179.073 7.859 A210N-A209C-A210HN 117.825 177.982 7.414 E211N-A210C-E211HN 115.915 177.221 7.649 G212N-E211C-G212HN 104.012 177.077 8.950 S213N-G212C-S213HN 112.886 173.866 7.301 L214N-S213C-L214HN 131.949 175.225 8.962 R215N-L214C-R215HN 118.096 178.080 8.338 D216N-R215C-D216HN 121.564 179.250 8.365 A217N-D216C-A217HN 122.136 178.409 8.163 L218N-A217C-L218HN 120.055 180.721 8.517 S219N-L218C-S219HN 115.636 177.965 8.041 L220N-S219C-L220HN 122.267 178.132 8.708 T221N-L220C-T221HN 118.247 178.914 8.013 D222N-T221C-D222HN 122.203 176.006 8.376 Q223N-D222C-Q223HN 120.202 179.763 7.856 A224N-Q223C-A224HN 125.118 178.640 8.506 I225N-A224C-I225HN 119.913 179.763 8.509 A226N-I225C-A226HN 120.117 178.099 7.606 S227N-A226C-S227HN 112.767 180.329 8.083 G228N-S227C-G228HN 110.108 175.039 7.920 D229N-G228C-D229HN 120.196 174.256 8.149 G230N-D229C-G230HN 105.280 176.424 8.710 Q231N-G230C-Q231HN 116.425 173.266 7.503 V232N-Q231C-V232HN 122.471 174.556 8.547 S233N-V232C-S233HN 118.886 173.748 7.635 T234N-S233C-T234HN 121.560 174.628 9.536 A236N-Q235C-A236HN 121.963 177.862 7.809 V237N-A236C-V237HN 117.445 180.890 8.178 S238N-V237C-S238HN 115.108 177.534 8.722 A239N-S238C-A239HN 122.119 176.986 7.635 M240N-A239C-M240HN 117.005 179.228 7.576 L241N-M240C-L241HN 118.207 177.441 7.798 G242N-L241C-G242HN 113.427 177.393 7.588 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 4 2 . . N 15 15N . . . . . . . . . . 50595 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_5 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 119.950 57.225 8.063 Y3N-S2CA-Y3HN 121.656 58.234 7.988 Q4N-Y3CA-Q4HN 121.973 57.598 8.340 V5N-Q4CA-V5HN 120.902 55.791 8.016 R11N-W10CA-R11HN 123.554 58.369 6.922 Q13N-P12CA-Q13HN 120.964 63.173 9.322 T14N-Q13CA-T14HN 109.029 56.162 7.842 F15N-T14CA-F15HN 120.211 59.731 8.729 A16N-F15CA-A16HN 119.487 60.503 7.976 D17N-A16CA-D17HN 114.819 54.075 7.376 V18N-D17CA-V18HN 121.715 54.847 7.389 V19N-V18CA-V19HN 128.456 63.290 7.986 G20N-V19CA-G20HN 113.695 62.210 8.661 E22N-Q21CA-E22HN 121.421 53.354 9.597 V24N-H23CA-V24HN 121.249 59.114 7.041 L25N-V24CA-L25HN 118.218 64.479 8.059 T26N-L25CA-T26HN 114.537 58.060 8.302 A27N-T26CA-A27HN 123.491 66.440 7.060 L28N-A27CA-L28HN 119.564 55.210 8.206 A29N-L28CA-A29HN 120.843 57.661 8.491 N30N-A29CA-N30HN 116.818 55.605 8.200 G31N-N30CA-G31HN 106.256 56.383 7.832 L32N-G31CA-L32HN 120.902 47.866 8.132 S33N-L32CA-S33HN 113.996 58.328 8.240 L34N-S33CA-L34HN 118.921 61.474 7.652 G35N-L34CA-G35HN 108.688 55.059 7.875 R36N-G35CA-R36HN 122.642 46.304 8.297 I37N-R36CA-I37HN 123.151 54.883 8.032 H38N-I37CA-H38HN 129.043 58.932 8.206 A40N-H39CA-A40HN 121.531 57.851 7.727 Y41N-A40CA-Y41HN 122.761 51.485 8.943 L42N-Y41CA-L42HN 124.153 56.772 8.952 F43N-L42CA-F43HN 126.514 53.020 9.639 S44N-F43CA-S44HN 118.818 56.670 9.326 G45N-S44CA-G45HN 107.468 56.337 7.456 T46N-G45CA-T46HN 113.941 44.634 8.478 R47N-T46CA-R47HN 122.077 62.727 8.351 G48N-R47CA-G48HN 115.271 58.236 10.520 V49N-G48CA-V49HN 116.071 45.768 7.931 G50N-V49CA-G50HN 112.247 62.663 9.458 K51N-G50CA-K51HN 124.942 45.463 10.775 T52N-K51CA-T52HN 106.531 61.376 8.305 S53N-T52CA-S53HN 119.775 65.161 7.754 I54N-S53CA-I54HN 122.017 61.601 8.136 A55N-I54CA-A55HN 121.263 64.688 7.487 R56N-A55CA-R56HN 117.504 55.272 8.046 L57N-R56CA-L57HN 119.006 60.548 7.445 L58N-L57CA-L58HN 121.765 57.788 8.252 A59N-L58CA-A59HN 120.516 58.260 8.333 K60N-A59CA-K60HN 118.730 55.864 8.224 G61N-K60CA-G61HN 108.215 59.292 8.417 L62N-G61CA-L62HN 115.360 48.260 8.206 N63N-L62CA-N63HN 112.260 57.135 7.179 C64N-N63CA-C64HN 125.611 53.603 7.381 E65N-C64CA-E65HN 135.049 62.478 9.798 T66N-E65CA-T66HN 112.531 60.274 9.130 G67N-T66CA-G67HN 110.543 64.175 7.322 I68N-G67CA-I68HN 117.636 43.726 7.844 T69N-I68CA-T69HN 123.957 62.627 8.609 A70N-T69CA-A70HN 124.856 59.150 8.387 T71N-A70CA-T71HN 111.546 52.132 9.139 C73N-P72CA-C73HN 127.189 62.941 8.789 G74N-C73CA-G74HN 114.806 61.694 9.318 V75N-G74CA-V75HN 117.571 47.111 8.958 C76N-V75CA-C76HN 124.849 61.710 7.462 D77N-C76CA-D77HN 120.725 57.135 8.690 N78N-D77CA-N78HN 119.148 58.469 7.896 C79N-N78CA-C79HN 121.838 56.544 8.941 R80N-C79CA-R80HN 117.660 66.378 8.390 E81N-R80CA-E81HN 118.046 59.618 8.477 I82N-E81CA-I82HN 120.895 60.212 8.167 E83N-I82CA-E83HN 121.701 66.386 7.845 Q84N-E83CA-Q84HN 113.882 59.059 7.614 G85N-Q84CA-G85HN 109.029 55.828 7.839 R86N-G85CA-R86HN 117.481 46.687 8.176 F87N-R86CA-F87HN 123.406 54.420 8.443 V88N-F87CA-V88HN 127.485 55.708 8.461 L90N-D89CA-L90HN 122.253 54.084 7.443 I91N-L90CA-I91HN 129.732 54.253 8.997 E92N-I91CA-E92HN 127.162 60.775 8.576 I93N-E92CA-I93HN 125.665 55.790 9.304 D94N-I93CA-D94HN 127.865 60.218 8.837 A95N-D94CA-A95HN 126.935 52.305 8.454 A96N-A95CA-A96HN 117.187 54.308 8.012 S97N-A96CA-S97HN 112.596 53.068 7.204 V101N-K100CA-V101HN 119.827 56.535 7.816 E102N-V101CA-E102HN 121.698 64.470 8.573 D103N-E102CA-D103HN 120.506 58.224 8.038 T104N-D103CA-T104HN 114.518 55.614 8.119 R105N-T104CA-R105HN 121.638 64.443 7.935 D106N-R105CA-D106HN 119.936 58.179 8.163 L107N-D106CA-L107HN 121.110 56.027 8.092 L108N-L107CA-L108HN 117.433 57.865 8.114 D109N-L108CA-D109HN 119.827 55.346 7.828 V111N-N110CA-V111HN 119.776 53.417 7.618 Y113N-Q112CA-Y113HN 119.289 56.644 7.356 A116N-P115CA-A116HN 128.313 62.274 10.059 R117N-A116CA-R117HN 119.833 53.984 10.117 G118N-R117CA-G118HN 108.594 57.115 9.847 R119N-G118CA-R119HN 119.675 44.370 8.166 F120N-R119CA-F120HN 113.600 57.847 8.352 K121N-F120CA-K121HN 122.576 55.814 9.197 V122N-K121CA-V122HN 125.964 55.713 8.816 Y123N-V122CA-Y123HN 126.179 60.385 8.430 L124N-Y123CA-L124HN 129.239 56.902 9.300 I125N-L124CA-I125HN 124.768 53.734 8.999 D126N-I125CA-D126HN 127.660 60.468 9.049 E127N-D126CA-E127HN 121.668 53.512 8.161 V128N-E127CA-V128HN 114.896 55.522 8.100 H129N-V128CA-H129HN 115.361 64.234 8.018 M130N-H129CA-M130HN 118.320 58.678 7.964 L131N-M130CA-L131HN 119.636 54.674 6.977 S132N-L131CA-S132HN 114.739 55.448 8.284 S135N-H134CA-S135HN 118.292 59.825 7.898 F136N-S135CA-F136HN 122.664 62.446 8.966 N137N-F136CA-N137HN 117.430 61.465 8.191 A138N-N137CA-A138HN 122.614 56.445 7.520 L139N-A138CA-L139HN 121.129 55.065 8.181 L140N-L139CA-L140HN 119.080 57.866 8.450 K141N-L140CA-K141HN 116.565 58.444 7.653 T142N-K141CA-T142HN 115.519 58.950 7.483 L143N-T142CA-L143HN 118.152 66.202 7.993 E144N-L143CA-E144HN 117.662 56.862 7.752 E145N-E144CA-E145HN 116.814 58.950 6.979 E148N-P147CA-E148HN 121.413 61.950 8.866 H149N-E148CA-H149HN 110.458 59.245 7.830 V150N-H149CA-V150HN 120.343 56.862 7.184 K151N-V150CA-K151HN 122.241 60.457 8.523 F152N-K151CA-F152HN 119.264 52.773 8.776 L153N-F152CA-L153HN 124.358 58.051 9.757 L154N-L153CA-L154HN 123.473 53.521 9.512 A155N-L154CA-A155HN 124.337 53.217 8.993 T156N-A155CA-T156HN 114.512 50.316 8.616 T157N-T156CA-T157HN 118.749 61.099 8.945 D158N-T157CA-D158HN 122.753 61.719 8.791 Q160N-P159CA-Q160HN 116.013 64.683 8.259 K161N-Q160CA-K161HN 117.252 57.743 7.506 L162N-K161CA-L162HN 120.173 56.172 7.485 I166N-T165CA-I166HN 117.634 63.553 6.935 L167N-I166CA-L167HN 120.357 62.591 7.553 S168N-L167CA-S168HN 109.398 58.819 8.139 R169N-S168CA-R169HN 119.086 60.596 7.332 C170N-R169CA-C170HN 113.954 55.401 7.188 L171N-C170CA-L171HN 124.158 57.625 7.813 Q172N-L171CA-Q172HN 124.541 54.453 8.167 F173N-Q172CA-F173HN 122.285 55.165 8.944 H174N-F173CA-H174HN 124.425 57.307 9.013 L175N-H174CA-L175HN 129.721 55.187 8.987 K176N-L175CA-K176HN 120.737 56.430 9.085 A177N-K176CA-A177HN 123.397 55.329 8.436 L178N-A177CA-L178HN 122.553 52.514 8.437 D179N-L178CA-D179HN 120.151 54.211 8.666 V180N-D179CA-V180HN 120.352 53.394 8.208 E181N-V180CA-E181HN 119.460 66.531 8.354 Q182N-E181CA-Q182HN 118.568 58.587 7.801 I183N-Q182CA-I183HN 118.087 59.005 7.731 R184N-I183CA-R184HN 120.731 65.805 8.731 H185N-R184CA-H185HN 115.859 60.811 8.462 Q186N-H185CA-Q186HN 118.848 59.806 7.629 L187N-Q186CA-L187HN 117.935 58.003 8.427 E188N-L187CA-E188HN 118.716 57.961 8.074 H189N-E188CA-H189HN 117.139 60.076 7.626 I190N-H189CA-I190HN 119.027 59.767 8.033 L191N-I190CA-L191HN 117.225 65.461 8.323 N192N-L191CA-N192HN 117.445 58.313 8.203 E193N-N192CA-E193HN 122.672 55.936 8.154 E194N-E193CA-E194HN 115.073 59.123 7.898 H195N-E194CA-H195HN 115.109 55.691 7.688 I196N-H195CA-I196HN 120.895 56.644 8.325 A197N-I196CA-A197HN 133.541 60.090 8.922 H198N-A197CA-H198HN 115.017 52.813 7.933 E199N-H198CA-E199HN 118.214 54.447 7.319 A202N-R201CA-A202HN 120.317 58.850 7.059 L203N-A202CA-L203HN 113.106 55.294 7.295 Q204N-L203CA-Q204HN 117.889 57.579 7.478 L205N-Q204CA-L205HN 118.129 59.377 7.776 L206N-L205CA-L206HN 119.664 57.997 7.889 A207N-L206CA-A207HN 118.152 58.143 8.111 R208N-A207CA-R208HN 116.665 55.210 7.851 A209N-R208CA-A209HN 122.012 59.068 7.866 A210N-A209CA-A210HN 117.825 53.939 7.416 E211N-A210CA-E211HN 115.915 53.512 7.652 G212N-E211CA-G212HN 104.012 57.107 8.948 S213N-G212CA-S213HN 112.886 46.141 7.304 L214N-S213CA-L214HN 131.949 54.966 8.955 R215N-L214CA-R215HN 118.067 57.828 8.350 D216N-R215CA-D216HN 121.564 60.125 8.363 A217N-D216CA-A217HN 122.136 57.307 8.163 L218N-A217CA-L218HN 120.003 55.531 8.515 S219N-L218CA-S219HN 115.618 58.360 8.038 L220N-S219CA-L220HN 122.274 62.071 8.707 T221N-L220CA-T221HN 118.247 57.912 8.013 D222N-T221CA-D222HN 122.203 68.483 8.382 Q223N-D222CA-Q223HN 120.202 58.306 7.858 A224N-Q223CA-A224HN 125.118 59.050 8.509 I225N-A224CA-I225HN 119.913 55.491 8.518 A226N-I225CA-A226HN 120.117 65.714 7.602 S227N-A226CA-S227HN 112.826 54.600 8.080 G228N-S227CA-G228HN 110.089 60.348 7.921 D229N-G228CA-D229N 120.196 45.260 8.150 G230N-D229CA-G230HN 105.280 54.829 8.710 Q231N-G230CA-Q231HN 116.510 45.650 7.504 Q231N-G230CA-Q231HN 116.425 45.650 7.504 V232N-Q231CA-V232HN 122.471 53.885 8.548 S233N-V232CA-S233HN 118.886 61.883 7.634 T234N-S233CA-T234HN 121.560 55.513 9.534 A236N-Q235CA-A236HN 121.963 59.522 7.809 V237N-A236CA-V237HN 117.445 55.013 8.181 S238N-V237CA-S238HN 115.108 66.887 8.717 A239N-S238CA-A239HN 122.119 62.173 7.630 M240N-A239CA-M240HN 117.005 54.447 7.578 L241N-M240CA-L241HN 118.207 57.834 7.793 G242N-L241CA-G242HN 113.427 55.573 7.587 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 5 2 . . N 15 15N . . . . . . . . . . 50595 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_6 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 ?-? 41.953 1.251 ?-? 29.444 2.088 ?-? 29.904 1.718 ?-? 21.028 1.438 ?-? 22.006 1.273 ?-? 65.742 3.764 ?-? 65.747 3.779 ?-? 20.217 1.478 ?-? 20.237 1.412 ?-? 26.841 1.571 ?-? 27.302 1.494 ?-? 50.953 3.941 ?-? 50.250 3.991 ?-? 27.720 2.195 ?-? 50.637 4.182 ?-? 50.611 3.560 ?-? 58.487 3.608 ?-? 30.145 2.384 ?-? 29.599 1.811 ?-? 63.813 4.146 ?-? 31.032 1.948 ?-? 41.934 1.173 ?-? 32.371 1.796 ?-? 42.228 1.758 ?-? 28.316 1.855 ?-? 30.372 2.918 ?-? 59.788 4.259 ?-? 61.749 4.831 ?-? 41.468 2.998 ?-? 50.579 3.209 ?-? 49.354 3.205 ?-? 34.013 1.854 ?-? 32.245 2.315 ?-? 50.043 3.451 ?-? 50.041 2.898 ?-? 61.906 3.955 ?-? 62.040 4.632 ?-? 42.248 1.674 ?-? 24.693 1.504 ?-? 25.768 1.863 ?-? 32.159 1.619 ?-? 18.452 1.058 ?-? 50.197 3.312 ?-? 29.146 3.042 ?-? 22.540 1.698 ?-? 23.815 1.451 ?-? 23.805 1.686 ?-? 41.911 1.694 ?-? 67.863 3.533 ?-? 63.874 4.406 ?-? 52.729 4.934 ?-? 67.841 4.148 ?-? 66.989 4.061 ?-? 27.594 1.662 ?-? 27.594 1.995 ?-? 25.278 1.686 ?-? 25.509 1.778 ?-? 25.590 1.825 ?-? 32.722 2.087 ?-? 25.060 1.518 ?-? 62.712 4.364 ?-? 21.607 1.216 ?-? 61.193 3.857 ?-? 40.901 3.204 ?-? 30.341 3.382 ?-? 18.399 1.334 ?-? 23.015 0.784 ?-? 42.440 1.257 ?-? 24.308 0.901 ?-? 56.199 4.334 ?-? 25.579 0.657 ?-? 20.719 1.011 ?-? 44.689 4.254 ?-? 22.776 0.592 ?-? 60.085 3.893 ?-? 32.162 2.425 ?-? 32.845 2.359 ?-? 32.731 2.257 ?-? 32.831 2.322 ?-? 49.879 3.589 ?-? 36.410 1.920 ?-? 36.301 1.819 ?-? 22.797 1.840 M1CA-HA 55.522 4.518 M1CB-HB2 33.124 2.013 M1CB-HB3 33.096 1.969 M1CE-HE 17.075 2.074 M1CG-HG2 32.039 2.532 S2CA-HA 58.099 4.403 S2CB-HB2 63.860 3.759 Y3CA-HA 57.596 4.606 Y3CB-HB2 39.001 2.893 Y3CB-HB3 38.987 3.080 Q4CA-HA 55.720 4.333 Q4CB-HB2 30.067 1.908 Q4CB-HB3 30.116 2.022 Q4CG-HG2 33.890 2.293 V5CB-HB 32.067 2.223 V5CG1-HG1 21.865 0.949 V5CG2-HG2 20.504 0.941 L6CD1-HD1 22.903 0.784 L6CD2-HD2 25.772 0.705 W10CA-HA 58.357 4.299 W10CB-HB2 27.377 3.533 R11CD-HD2 43.340 3.212 R11CG-HG2 27.000 1.743 P12CA-HA 63.040 4.355 Q13CA-HA 56.252 4.244 Q13CB-HB2 30.752 2.260 Q13CB-HB3 30.706 1.987 T14CA-HA 59.789 4.386 T14CB-HB 72.291 4.458 T14CG2-HG2 21.498 1.125 F15CA-HA 60.509 4.265 F15CB-HB2 38.023 3.202 A16CA-HA 54.150 4.190 A16CB-HB 18.476 1.383 D17CA-HA 54.870 4.625 D17CB-HB2 43.351 3.137 V18CA-HA 63.285 3.800 V18CB-HB 31.712 2.229 V18CG1-HG1 22.528 0.899 V18CG2-HG2 21.703 0.858 V19CB-HB 32.315 1.929 V19CG1-HG1 21.609 0.900 V19CG2-HG2 21.567 0.937 E22CA-HA 61.674 3.859 E22CB-HB2 28.992 2.080 E22CG-HG2 36.412 2.346 H23CA-HA 58.992 4.510 V24CA-HA 64.369 3.822 V24CB-HB 32.850 1.993 V24CG1-HG1 21.673 0.734 V24CG2-HG2 20.814 0.702 L25CA-HA 58.077 3.610 L25CB-HB2 41.074 1.724 L25CD1-HD1 25.941 0.886 L25CD2-HD2 22.752 0.567 T26CA-HA 66.291 3.949 T26CB-HB 68.748 4.195 T26CG2-HG2 21.718 1.290 A27CA-HA 55.202 4.310 A27CB-HB 18.868 1.723 L28CA-HA 57.767 4.106 L28CB-HB2 42.266 1.485 L28CD1-HD1 23.902 0.528 L28CD2-HD2 25.796 0.537 L28CG-HG 26.011 1.445 A29CA-HA 55.526 3.894 A29CB-HB 18.060 1.442 N30CA-HA 56.377 4.458 N30CB-HB2 38.571 2.976 N30CB-HB3 38.515 2.808 G31CA-HA2 48.039 4.066 G31CA-HA3 47.935 3.908 L32CA-HA 58.276 3.862 L32CB-HB2 42.139 1.157 L32CD1-HD1 25.345 0.779 L32CD2-HD2 23.234 0.661 S33CA-HA 61.455 4.301 S33CB-HB2 63.242 4.014 L34CA-HA 55.078 4.442 L34CB-HB2 42.869 1.791 L34CB-HB3 42.852 1.662 L34CD1-HD1 25.196 0.903 L34CD2-HD2 22.779 0.901 L34CG-HG 27.475 1.951 G35CA-HA2 46.263 4.164 G35CA-HA3 46.370 3.589 R36CA-HA 54.900 4.545 R36CB-HB2 29.836 1.851 R36CB-HB3 29.860 1.688 R36CD-HD2 43.509 3.210 R36CG-HG2 26.912 1.523 I37CA-HA 58.957 4.317 I37CB-HB 38.579 1.909 I37CD1-HD1 12.333 0.768 I37CG1-HG12 26.530 1.308 I37CG1-HG13 26.548 1.234 I37CG2-HG2 17.652 0.908 H39CA-HA 57.808 4.672 H39CB-HB2 31.418 3.215 A40CA-HA 51.439 5.807 A40CB-HB 22.679 1.345 Y41CA-HA 56.863 4.809 Y41CB-HB2 42.384 2.910 L42CA-HA 53.062 5.276 L42CD1-HD1 26.508 0.674 L42CD2-HD2 25.297 0.765 L42CG-HG 27.785 1.385 F43CA-HA 56.648 5.575 F43CB-HB2 40.931 2.937 S44CA-HA 56.258 6.150 S44CB-HB2 66.885 3.571 G45CA-HA2 44.704 4.478 G45CA-HA3 44.690 3.944 T46CA-HA 62.694 4.282 T46CB-HB 69.849 4.334 T46CG2-HG2 21.923 1.441 R47CB-HB2 30.065 1.835 G48CA-HA2 45.550 3.953 V49CA-HA 62.643 4.600 V49CB-HB 32.185 2.349 V49CG1-HG1 21.582 0.921 V49CG2-HG2 19.839 1.024 G50CA-HA2 45.495 3.830 G50CA-HA3 45.447 4.456 K51CA-HA 61.358 3.601 T52CA-HA 65.226 3.790 T52CB-HB 68.583 4.235 T52CG2-HG2 22.635 1.142 S53CA-HA 61.539 4.132 S53CB-HB2 62.566 3.694 I54CA-HA 64.643 3.458 I54CB-HB 36.194 1.456 I54CD1-HD1 13.181 0.724 I54CG1-HG12 30.011 1.023 I54CG1-HG13 29.850 1.560 I54CG2-HG2 17.881 0.356 A55CA-HA 55.281 3.605 A55CB-HB 17.894 1.231 R56CA-HA 60.597 3.540 R56CB-HB2 29.818 2.084 L57CA-HA 57.730 3.712 L57CD1-HD1 25.316 0.309 L57CD2-HD2 23.168 0.245 L57CG-HG 26.272 1.510 L58CA-HA 58.346 4.108 L58CB-HB2 41.424 2.223 L58CD1-HD1 24.006 0.824 L58CD2-HD2 26.372 0.357 L58CG-HG 27.400 1.310 A59CA-HA 55.855 3.806 A59CB-HB 18.364 1.481 K60CA-HA 59.246 4.004 K60CB-HB2 34.137 1.698 K60CD-HD2 29.707 1.589 K60CE-HE2 41.990 2.863 K60CE-HE3 41.993 2.708 K60CG-HG2 25.004 1.231 G61CA-HA2 48.236 4.053 G61CA-HA3 48.224 3.895 L62CA-HA 57.223 4.262 L62CB-HB2 42.410 1.915 L62CD1-HD1 25.448 0.473 L62CD2-HD2 23.487 0.668 N63CA-HA 53.640 5.181 N63CB-HB2 42.104 2.795 C64CA-HA 62.474 4.179 C64CB-HB2 27.355 3.004 E65CA-HA 60.342 4.129 E65CB-HB2 30.677 2.235 E65CG-HG2 37.957 2.437 E65CG-HG3 38.014 2.737 T66CA-HA 64.198 4.266 T66CB-HB 70.222 4.371 T66CG2-HG2 21.931 1.450 G67CA-HA2 43.837 4.326 G67CA-HA3 43.823 3.649 I68CA-HA 62.571 4.464 I68CB-HB 37.944 1.750 I68CD1-HD1 14.292 1.188 I68CG2-HG2 18.743 0.968 T69CA-HA 59.109 4.683 T69CB-HB 68.985 3.881 A70CA-HA 52.050 4.203 A70CB-HB 19.307 1.412 T71CA-HA 56.839 4.575 T71CB-HB 69.133 4.191 T71CG2-HG2 20.927 1.054 P72CA-HA 62.930 4.237 P72CB-HB2 32.137 2.373 C73CA-HA 61.749 4.371 C73CB-HB2 30.432 3.020 G74CA-HA2 47.082 4.343 G74CA-HA3 47.065 3.628 V75CA-HA 61.744 4.535 V75CB-HB 34.278 2.299 V75CG1-HG1 19.070 0.831 V75CG2-HG2 21.318 0.858 C76CA-HA 57.118 4.731 C76CB-HB2 30.520 3.040 D77CA-HA 58.397 4.233 D77CB-HB2 40.098 2.737 N78CA-HA 56.542 3.801 N78CB-HB2 36.933 2.938 C79CA-HA 66.330 3.598 C79CB-HB2 29.254 2.670 R80CA-HA 59.617 3.839 R80CB-HB2 30.237 1.716 R80CD-HD2 43.253 3.161 R80CG-HG2 27.866 1.430 E81CB-HB2 29.454 1.897 E81CG-HG2 37.942 2.127 I82CA-HA 66.469 3.682 I82CD1-HD1 13.366 0.488 I82CG2-HG2 16.779 0.698 E83CA-HA 59.064 3.916 E83CB-HB2 29.524 2.157 E83CG-HG2 35.562 2.260 Q84CA-HA 55.890 4.223 Q84CB-HB2 29.563 2.238 Q84CB-HB3 29.628 1.938 Q84CG-HG2 34.059 2.562 G85CA-HA2 46.664 4.040 R86CA-HA 54.489 4.732 R86CB-HB2 31.413 1.904 R86CB-HB3 31.366 1.641 R86CD-HD2 43.589 3.210 R86CG-HG2 26.978 1.505 F87CA-HA 55.616 5.038 F87CB-HB2 40.433 3.051 V88CB-HB 31.424 2.007 V88CG1-HG1 19.952 0.759 V88CG2-HG2 19.834 0.714 D89CA-HA 54.137 4.720 D89CB-HB2 42.542 3.309 L90CA-HA 54.391 5.264 L90CD1-HD1 27.508 0.944 L90CD2-HD2 24.619 0.767 I91CA-HA 60.815 4.028 I91CB-HB 38.065 1.320 I91CD1-HD1 13.640 0.462 I91CG1-HG12 28.214 1.085 I91CG1-HG13 28.206 0.954 I91CG2-HG2 18.994 0.851 E92CA-HA 55.733 5.158 E92CG-HG2 37.329 1.986 E92CG-HG3 37.423 2.297 I93CA-HA 60.383 4.290 I93CB-HB 41.881 1.876 I93CD1-HD1 14.082 0.988 I93CG1-HG12 27.474 1.173 I93CG2-HG2 17.220 0.869 D94CA-HA 52.340 4.875 D94CB-HB2 40.376 2.932 D94CB-HB3 40.350 2.724 A95CA-HA 54.289 3.974 A95CB-HB 19.339 1.249 A96CA-HA 53.066 4.201 A96CB-HB 19.273 1.490 S97CA-HA 58.436 4.400 S97CB-HB2 63.471 3.957 T99CA-HA 58.161 3.835 T99CB-HB 65.089 3.833 K100CA-HA 56.453 4.491 V101CA-HA 64.469 3.949 V101CB-HB 32.304 2.136 V101CG1-HG1 21.244 0.996 V101CG2-HG2 21.280 1.034 E102CA-HA 58.235 4.186 E102CB-HB2 29.485 2.009 E102CG-HG2 36.570 2.303 D103CA-HA 55.677 4.581 D103CB-HB2 41.215 2.731 T104CA-HA 64.540 4.044 T104CB-HB 69.093 4.300 T104CG2-HG2 22.193 1.185 R105CA-HA 58.191 4.058 R105CB-HB2 30.142 1.853 R105CD-HD2 43.332 3.088 R105CG-HG2 26.875 1.600 D106CA-HA 56.109 4.493 D106CB-HB2 41.001 2.739 L107CA-HA 57.885 4.163 L107CB-HB2 42.764 1.546 L107CD1-HD1 23.913 0.906 L107CD2-HD2 25.412 0.909 L107CG-HG 27.134 1.776 L108CA-HA 55.227 4.259 L108CB-HB2 41.102 1.805 L108CD1-HD1 25.989 0.783 L108CD2-HD2 22.777 0.581 D109CA-HA 56.126 4.574 D109CB-HB2 41.113 2.734 N110CA-HA 53.304 4.886 N110CB-HB2 38.745 2.809 N110CB-HB3 38.784 2.903 V111CA-HA 64.701 4.045 V111CB-HB 31.921 2.183 V111CG1-HG1 21.123 0.942 V111CG2-HG2 21.979 1.014 Q112CA-HA 56.724 4.168 Y113CA-HA 57.829 4.495 Y113CB-HB2 38.377 3.158 P115CA-HA 62.285 4.188 P115CB-HB2 31.704 1.856 A116CA-HA 53.943 4.195 A116CB-HB 20.313 1.330 R117CA-HA 57.150 4.441 R117CB-HB2 34.421 1.802 R117CB-HB3 34.441 1.557 R117CD-HD2 43.085 3.325 R117CD-HD3 43.120 3.264 R117CG-HG2 27.309 1.670 R117CG-HG3 27.289 1.575 G118CA-HA2 44.651 3.923 G118CA-HA3 44.298 3.618 R119CA-HA 57.879 3.978 F120CA-HA 55.704 5.249 F120CB-HB2 43.671 2.977 K121CA-HA 55.749 4.728 K121CB-HB2 34.288 1.399 V122CA-HA 60.386 4.901 V122CB-HB 34.228 2.008 V122CG1-HG1 22.354 0.756 Y123CA-HA 56.896 5.027 Y123CB-HB2 41.169 2.517 L124CA-HA 53.724 5.830 L124CB-HB2 44.704 1.931 L124CB-HB3 44.628 1.265 L124CD1-HD1 25.280 0.782 L124CD2-HD2 23.779 0.784 L124CG-HG 29.146 1.685 I125CA-HA 60.447 5.134 I125CB-HB 38.952 2.069 I125CD1-HD1 13.612 0.959 I125CG2-HG2 17.868 0.911 D126CA-HA 53.516 5.116 D126CB-HB2 43.467 2.544 D126CB-HB3 43.455 2.769 E127CA-HA 55.575 5.144 V128CA-HA 64.221 3.590 V128CB-HB 31.614 2.179 V128CG1-HG1 20.276 1.071 V128CG2-HG2 22.878 1.106 H129CA-HA 58.743 4.484 M130CA-HA 54.664 4.425 M130CB-HB2 31.022 2.131 M130CE-HE 16.695 2.132 L131CA-HA 55.458 4.077 L131CD1-HD1 26.515 0.661 L131CD2-HD2 23.084 0.806 S132CA-HA 57.411 4.376 S132CB-HB2 64.955 4.106 H134CA-HA 59.949 4.370 H134CB-HB2 30.733 3.181 H134CB-HB3 30.716 3.084 S135CA-HA 62.439 4.297 F136CA-HA 61.537 4.152 F136CB-HB2 38.469 3.084 N137CA-HA 56.410 4.389 N137CB-HB2 38.065 2.897 N137CB-HB3 38.024 2.783 A138CA-HA 55.106 4.075 A138CB-HB 18.485 1.437 L139CA-HA 57.886 3.695 L139CB-HB2 42.022 1.127 L139CD1-HD1 25.781 0.526 L139CD2-HD2 23.213 0.203 L139CG-HG 26.890 1.105 L140CA-HA 58.500 3.626 L140CB-HB2 41.477 1.701 L140CB-HB3 41.402 1.426 L140CD1-HD1 23.634 0.744 L140CD2-HD2 25.037 0.777 L140CG-HG 27.023 1.460 K141CA-HA 58.963 3.987 K141CB-HB2 31.886 1.863 K141CD-HD2 28.685 1.649 K141CE-HE2 42.094 2.951 K141CG-HG2 24.653 1.474 T142CA-HA 66.165 3.951 T142CB-HB 68.116 4.077 T142CG2-HG2 23.034 1.248 L143CA-HA 56.704 3.824 L143CB-HB2 41.914 1.230 L143CD1-HD1 23.467 0.514 L143CD2-HD2 25.875 0.466 L143CG-HG 26.611 1.480 E144CA-HA 58.899 3.914 E144CB-HB2 30.243 2.077 E144CB-HB3 30.298 1.967 E144CG-HG2 36.756 2.455 E144CG-HG3 36.755 2.080 E145CA-HA 53.733 4.533 E145CB-HB2 30.264 1.986 E145CB-HB3 30.278 1.822 E145CG-HG2 36.449 2.135 E148CA-HA 59.206 4.148 E148CB-HB2 30.159 2.128 E148CG-HG2 36.513 2.346 H149CA-HA 56.847 5.105 H149CB-HB2 31.029 3.214 V150CA-HA 60.473 5.408 V150CB-HB 34.465 1.695 V150CG1-HG1 22.674 0.750 V150CG2-HG2 22.674 0.658 K151CA-HA 52.786 5.162 F152CA-HA 58.062 5.184 F152CB-HB2 41.612 3.123 L153CA-HA 53.539 5.281 L153CD1-HD1 25.482 0.950 L153CD2-HD2 28.033 0.856 L154CA-HA 53.149 5.301 L154CB-HB2 44.648 1.418 L154CD1-HD1 25.383 0.883 L154CD2-HD2 25.059 1.051 A155CA-HA 50.299 6.180 A155CB-HB 22.584 1.545 T156CA-HA 61.043 5.423 T156CB-HB 68.882 4.577 T157CA-HA 61.624 5.036 T157CB-HB 71.198 4.486 T157CG2-HG2 22.149 1.569 D158CA-HA 51.625 5.026 D158CB-HB2 41.021 1.722 D158CB-HB3 41.167 2.068 P159CA-HA 64.769 4.055 P159CB-HB2 31.421 1.915 Q160CA-HA 57.718 4.156 Q160CB-HB2 27.738 2.117 Q160CG-HG2 34.486 2.439 K161CA-HA 56.269 4.220 K161CB-HB2 33.182 2.114 K161CD-HD2 29.078 1.712 K161CD-HD3 28.928 1.566 K161CE-HE2 42.300 3.014 K161CG-HG2 25.995 1.429 K161CG-HG3 25.933 1.328 L162CA-HA 52.410 4.444 L162CB-HB2 41.903 1.904 L162CD1-HD1 26.730 0.921 L162CD2-HD2 25.095 0.928 T165CA-HA 63.612 3.915 T165CB-HB 67.801 4.089 I166CA-HA 62.582 3.848 I166CB-HB 37.914 1.743 I166CD1-HD1 12.049 0.628 I166CG1-HG12 29.051 1.389 I166CG1-HG13 29.029 1.037 I166CG2-HG2 16.783 0.690 L167CA-HA 58.764 3.671 L167CB-HB2 42.261 1.497 L167CD1-HD1 23.595 0.726 L167CD2-HD2 25.267 0.786 L167CG-HG 26.580 1.457 S168CA-HA 60.574 4.225 S168CB-HB2 63.441 3.950 R169CA-HA 55.457 4.580 R169CB-HB2 31.661 2.133 R169CB-HB3 31.634 1.721 R169CD-HD2 43.060 3.066 R169CG-HG2 27.591 1.696 C170CA-HA 57.612 4.668 C170CB-HB2 30.694 2.601 L171CA-HA 54.498 4.174 L171CB-HB2 41.736 1.088 L171CB-HB3 41.697 0.687 L171CD1-HD1 24.215 0.548 L171CD2-HD2 24.129 0.515 L171CG-HG 26.634 0.828 Q172CA-HA 55.149 4.955 Q172CB-HB2 30.901 1.855 Q172CB-HB3 31.003 1.621 Q172CG-HG2 34.003 2.101 F173CA-HA 57.354 4.641 F173CB-HB2 42.527 2.822 H174CA-HA 55.214 5.265 H174CB-HB2 31.512 3.182 H174CB-HB3 31.596 2.876 L175CD1-HD1 26.108 1.072 L175CD2-HD2 26.201 0.845 L175CG-HG 30.429 1.788 K176CA-HA 55.295 4.573 K176CB-HB2 35.696 2.046 K176CB-HB3 35.696 1.829 K176CD-HD2 29.437 1.724 K176CE-HE2 42.000 2.869 K176CE-HE3 41.992 2.943 K176CG-HG2 25.130 1.592 A177CA-HA 52.577 4.254 A177CB-HB 19.163 1.456 L178CA-HA 54.268 4.518 L178CB-HB2 43.080 1.449 L178CD1-HD1 26.429 0.920 L178CD2-HD2 22.983 0.905 D179CA-HA 53.347 4.705 D179CB-HB2 42.809 2.940 D179CB-HB3 42.750 2.735 V180CA-HA 66.622 3.546 V180CB-HB 31.937 2.104 V180CG1-HG1 22.660 1.042 V180CG2-HG2 21.008 0.966 E181CA-HA 58.613 4.232 Q182CA-HA 59.099 4.150 Q182CB-HB2 30.153 1.908 Q182CB-HB3 29.968 2.454 Q182CG-HG2 35.216 2.376 Q182CG-HG3 35.238 2.613 I183CA-HA 65.771 3.417 I183CB-HB 37.850 1.880 I183CD1-HD1 12.422 0.635 I183CG2-HG2 18.054 0.707 R184CA-HA 60.797 3.485 R184CB-HB2 29.950 1.879 R184CB-HB3 29.997 1.754 H185CA-HA 59.859 4.171 H185CB-HB2 29.933 3.199 H185CB-HB3 29.925 3.297 Q186CA-HA 58.028 4.155 Q186CB-HB2 27.515 1.935 L187CA-HA 57.999 3.680 L187CB-HB2 42.284 1.161 L187CD1-HD1 21.749 0.564 L187CD2-HD2 25.513 0.682 L187CG-HG 26.283 1.780 E188CA-HA 60.088 3.166 E188CG-HG2 36.478 1.996 H189CA-HA 59.818 4.354 H189CB-HB2 29.954 2.923 I190CA-HA 65.403 2.665 I190CB-HB 38.074 1.280 I190CD1-HD1 15.204 -0.003 I190CG2-HG2 14.591 0.374 L191CA-HA 58.234 3.718 L191CB-HB2 39.684 1.312 L191CD1-HD1 22.470 0.560 L191CD2-HD2 26.971 0.444 N192CA-HA 55.951 4.604 N192CB-HB2 37.798 2.746 N192CB-HB3 37.479 3.019 E193CA-HA 59.040 3.926 E194CA-HA 55.672 4.350 E194CB-HB2 30.315 1.683 H195CA-HA 56.620 4.208 H195CB-HB2 26.171 3.379 H195CB-HB3 26.129 3.532 I196CA-HA 60.146 4.294 I196CB-HB 39.377 1.640 I196CD1-HD1 13.153 0.816 I196CG1-HG12 27.462 1.157 I196CG2-HG2 17.097 0.981 A197CA-HA 52.807 4.300 A197CB-HB 19.262 1.397 H198CA-HA 54.400 5.244 R201CA-HA 58.893 4.098 R201CB-HB2 29.636 1.907 R201CD-HD2 43.288 3.188 R201CD-HD3 43.281 3.309 R201CG-HG2 27.057 1.647 A202CA-HA 55.304 3.847 A202CB-HB 18.842 1.401 L203CA-HA 57.556 3.951 L203CB-HB2 41.259 2.023 L203CD1-HD1 22.752 0.575 L203CD2-HD2 25.327 0.661 Q204CA-HA 59.404 3.836 Q204CB-HB2 28.322 2.198 Q204CG-HG2 34.295 2.361 L205CA-HA 57.995 3.974 L205CD1-HD1 22.209 0.832 L205CD2-HD2 25.624 0.846 L206CA-HA 58.164 3.820 L206CB-HB2 42.878 1.776 L206CD1-HD1 25.809 0.782 L206CD2-HD2 24.217 0.729 L206CG-HG 29.297 1.243 A207CA-HA 55.198 3.821 A207CB-HB 19.095 1.448 R208CA-HA 59.015 4.015 R208CB-HB2 30.433 1.912 R208CD-HD2 43.415 3.211 R208CG-HG2 27.692 1.836 A209CA-HA 53.987 4.215 A209CB-HB 19.228 1.472 A210CA-HA 53.500 3.945 A210CB-HB 18.985 1.646 E211CA-HA 57.088 3.963 E211CB-HB2 28.292 2.238 E211CB-HB3 28.215 1.922 E211CG-HG2 36.139 2.247 E211CG-HG3 36.123 2.348 G212CA-HA2 46.179 4.210 G212CA-HA3 46.053 4.107 S213CA-HA 54.958 4.728 L214CA-HA 57.861 4.073 L214CD1-HD1 23.337 0.817 L214CD2-HD2 26.562 0.943 R215CA-HA 60.120 4.031 D216CA-HA 57.336 4.520 D216CB-HB2 39.445 2.709 A217CA-HA 55.547 3.929 A217CB-HB 18.800 1.493 L218CA-HA 58.424 3.870 L218CD1-HD1 22.757 0.564 L218CD2-HD2 22.783 0.584 S219CA-HA 62.108 4.419 S219CB-HB2 62.850 4.071 L220CA-HA 57.953 4.074 L220CD1-HD1 22.793 0.818 L220CD2-HD2 25.674 0.739 L220CG-HG 26.814 1.848 T221CA-HA 68.502 3.664 T221CB-HB 67.032 4.275 D222CA-HA 58.256 4.582 D222CB-HB2 40.993 2.960 Q223CA-HA 59.014 4.000 Q223CB-HB2 28.498 2.225 Q223CG-HG2 34.276 2.485 A224CA-HA 55.470 4.099 A224CB-HB 18.858 1.543 I225CA-HA 65.672 3.378 I225CB-HB 38.396 1.919 I225CD1-HD1 15.072 0.840 I225CG2-HG2 17.503 0.759 A226CA-HA 54.646 4.156 A226CB-HB 18.551 1.526 S227CA-HA 60.297 4.438 S227CB-HB2 63.871 4.021 G228CA-HA2 45.417 4.406 G228CA-HA3 45.401 4.022 D229CA-HA 54.850 4.525 D229CB-HB2 40.157 2.957 D229CB-HB3 40.098 2.714 G230CA-HA2 45.564 4.440 G230CA-HA3 45.784 3.555 Q231CA-HA 53.895 4.814 Q231CB-HB2 31.431 1.997 Q231CG-HG2 33.304 2.266 Q231CG-HG3 33.293 2.157 V232CA-HA 61.932 4.046 V232CB-HB 30.436 2.117 V232CG1-HG1 22.779 0.748 V232CG2-HG2 22.773 0.794 S233CA-HA 55.497 4.680 S233CB-HB2 66.140 4.288 Q235CA-HA 59.464 4.009 Q235CB-HB2 28.121 1.993 Q235CG-HG2 33.665 2.402 A236CA-HA 54.944 4.162 A236CB-HB 18.565 1.505 V237CA-HA 66.932 3.669 V237CB-HB 31.819 2.102 V237CG1-HG1 22.765 0.990 V237CG2-HG2 24.514 1.071 S238CA-HA 62.135 4.108 S238CB-HB2 62.619 3.907 A239CA-HA 54.427 4.207 A239CB-HB 18.383 1.499 M240CA-HA 57.856 4.227 M240CB-HB2 33.835 2.242 M240CE-HE 17.590 2.094 M240CG-HG2 31.506 2.565 L241CA-HA 55.521 4.331 L241CB-HB2 42.217 1.808 L241CB-HB3 42.261 1.601 L241CD1-HD1 26.679 0.754 L241CD2-HD2 22.417 0.816 G242CA-HA2 46.599 3.762 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 6 2 . . N 15 15N . . . . . . . . . . 50595 6 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_7 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D CCH-TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 55.562 48.229 4.691 ?-?-? 55.750 47.581 4.706 ?-?-? 55.680 46.996 4.606 ?-?-? 26.548 30.854 1.227 ?-?-? 25.597 54.940 0.904 ?-?-? 60.597 29.415 3.525 M1CA-CA-HA 55.522 55.550 4.518 M1CA-CB-HA 55.522 33.161 4.518 M1CA-CG-HA 55.522 32.074 4.515 M1CB-CA-HB2 33.124 55.421 2.010 M1CB-CA-HB3 33.124 55.405 1.969 M1CB-CB-HB2 33.124 33.089 2.008 M1CB-CB-HB3 33.124 33.097 1.971 M1CB-CG-HB2 33.124 32.106 2.014 M1CB-CG-HB3 33.124 32.074 1.970 M1CE-CE-HE 17.075 17.108 2.078 M1CG-CA-HG2 32.039 55.584 2.534 M1CG-CB-HG2 32.039 33.052 2.531 M1CG-CG-HG2 32.039 32.082 2.531 S2CA-CA-HA 58.099 58.275 4.400 S2CA-CB-HA 58.099 63.767 4.407 S2CB-CA-HB2 63.853 58.315 3.760 S2CB-CB-HB2 63.853 63.914 3.765 Y3CA-CA-HA 57.596 57.637 4.608 Y3CA-CB-HA 57.593 38.953 4.610 Y3CB-CA-HB2 39.001 57.597 2.892 Y3CB-CA-HB3 38.987 57.477 3.087 Y3CB-CB-HB2 39.001 39.033 2.896 Y3CB-CB-HB3 38.987 39.099 3.085 Q4CA-CA-HA 55.720 55.748 4.349 Q4CA-CB-HA 55.727 30.056 4.345 Q4CA-CG-HA 55.720 33.846 4.340 Q4CB-CB-HB2 30.067 30.082 1.914 Q4CB-CB-HB3 30.116 30.117 2.034 Q4CB-CG-HB2 30.067 33.941 1.907 Q4CB-CG-HB3 30.116 33.849 2.035 Q4CG-CA-HG2 33.890 55.903 2.294 Q4CG-CB-HG2 33.890 30.000 2.298 Q4CG-CG-HG2 33.890 33.935 2.290 V5CG1-CB-HG1 21.865 32.150 0.952 V5CG1-CG1-HG1 21.865 21.772 0.948 V5CG1-CG2-HG1 21.865 20.510 0.947 V5CG2-CB-HG2 20.504 31.973 0.941 V5CG2-CG1-HG2 20.504 21.829 0.940 V5CG2-CG2-HG2 20.504 20.562 0.940 L6CD1-CB-HD1 22.903 42.295 0.784 L6CD1-CD1-HD1 22.903 22.793 0.782 L6CD1-CD2-HD1 22.903 25.795 0.784 L6CD2-CB-HD2 25.776 42.207 0.706 L6CD2-CD1-HD2 25.776 22.910 0.708 L6CD2-CD2-HD2 25.776 25.766 0.703 L6CD2-CG-HD2 25.776 26.979 0.703 W10CA-CA-HA 58.357 58.384 4.294 W10CA-CB-HA 58.357 27.504 4.304 W10CB-CB-HB2 27.377 27.313 3.537 R11CG-CB-HG2 27.000 30.404 1.743 R11CG-CD-HG2 27.000 43.380 1.736 R11CG-CG-HG2 27.000 27.002 1.748 T14CA-CA-HA 59.789 59.871 4.385 T14CA-CB-HA 59.775 72.178 4.394 T14CB-CA-HB 72.291 59.764 4.463 T14CB-CG2-HB 72.291 21.444 4.460 T14CG2-CG2-HG2 21.498 21.404 1.127 F15CA-CA-HA 60.509 60.500 4.268 F15CA-CB-HA 60.505 37.951 4.263 F15CB-CB-HB2 38.023 38.128 3.207 A16CA-CA-HA 54.150 54.171 4.193 A16CA-CB-HA 54.146 18.531 4.212 A16CB-CA-HB 18.476 54.082 1.383 A16CB-CB-HB 18.499 18.525 1.388 D17CA-CA-HA 54.870 54.895 4.621 D17CA-CB-HA 54.870 43.428 4.621 D17CB-CA-HB2 43.383 54.939 3.136 D17CB-CB-HB2 43.351 43.330 3.144 V18CA-CA-HA 63.265 63.238 3.798 V18CB-CB-HB 31.707 31.709 2.245 V18CG1-CB-HG1 22.528 31.643 0.890 V18CG1-CG1-HG1 22.528 22.670 0.902 V18CG2-CB-HG2 21.703 31.609 0.855 V18CG2-CG1-HG2 21.703 22.389 0.855 V18CG2-CG2-HG2 21.703 21.546 0.860 V19CB-CA-HB 32.315 62.248 1.932 V19CB-CB-HB 32.315 32.291 1.928 V19CB-CG2-HB 32.315 21.579 1.919 V19CG1-CB-HG1 21.605 32.463 0.902 V19CG1-CG1-HG1 21.605 21.558 0.897 V19CG2-CG2-HG2 21.567 21.649 0.942 E22CA-CA-HA 61.674 61.518 3.862 E22CA-CB-HA 61.674 28.905 3.860 E22CB-CB-HB2 28.992 28.964 2.089 E22CB-CG-HB2 28.992 36.485 2.077 E22CG-CA-HG2 36.412 61.558 2.359 E22CG-CB-HG2 36.412 29.025 2.355 E22CG-CG-HG2 36.412 36.257 2.355 V24CA-CA-HA 64.370 64.322 3.827 V24CB-CA-HB 32.850 64.467 1.994 V24CB-CB-HB 32.850 32.847 1.993 V24CB-CG1-HB 32.850 21.650 1.991 V24CB-CG2-HB 32.850 20.760 1.986 V24CG1-CA-HG1 21.676 64.522 0.732 V24CG1-CB-HG1 21.676 32.558 0.731 V24CG1-CG1-HG1 21.676 21.674 0.729 V24CG1-CG2-HG1 21.673 20.856 0.734 V24CG2-CB-HG2 20.814 32.605 0.699 V24CG2-CG2-HG2 20.814 20.800 0.703 L25CA-CA-HA 58.077 58.119 3.608 L25CA-CB-HA 58.077 41.189 3.613 L25CB-CA-HB2 41.074 58.169 1.718 L25CB-CB-HB2 41.074 41.114 1.719 L25CB-CD1-HB2 41.074 25.915 1.719 L25CD1-CB-HD1 25.941 41.154 0.883 L25CD1-CD1-HD1 25.941 25.978 0.880 L25CD1-CD2-HD1 25.941 22.764 0.885 L25CD2-CB-HD2 22.752 41.196 0.568 L25CD2-CD1-HD2 22.752 25.988 0.575 L25CD2-CD2-HD2 22.752 22.574 0.561 T26CA-CA-HA 66.277 66.271 3.948 T26CA-CB-HA 66.277 68.742 3.953 T26CB-CA-HB 68.700 66.458 4.199 T26CG2-CG2-HG2 21.718 21.666 1.293 A27CA-CA-HA 55.202 55.175 4.311 A27CA-CB-HA 55.202 18.782 4.299 A27CB-CA-HB 18.867 55.225 1.722 A27CB-CB-HB 18.867 18.807 1.726 L28CB-CA-HB2 42.261 57.659 1.483 L28CB-CB-HB2 42.261 42.269 1.496 L28CB-CD1-HB2 42.261 23.932 1.485 L28CB-CG-HB2 42.261 26.005 1.481 L28CD1-CB-HD1 23.902 42.192 0.526 L28CD1-CD1-HD1 23.902 23.986 0.523 L28CD1-CG-HD1 23.902 26.005 0.520 L28CD2-CD1-HD2 25.796 24.064 0.535 L28CG-CB-HG 25.965 42.238 1.437 L28CG-CD1-HG 25.965 23.963 1.435 L28CG-CG-HG 25.965 26.013 1.438 A29CA-CA-HA 55.526 55.532 3.893 A29CA-CB-HA 55.526 18.126 3.883 A29CB-CA-HB 18.087 55.549 1.446 A29CB-CB-HB 18.087 18.076 1.443 N30CA-CA-HA 56.379 56.418 4.461 N30CA-CB-HA 56.379 38.558 4.459 N30CB-CA-HB2 38.571 56.339 2.977 N30CB-CA-HB3 38.515 56.398 2.814 N30CB-CB-HB2 38.571 38.647 2.974 N30CB-CB-HB3 38.515 38.469 2.807 G31CA-CA-HA2 48.035 47.966 4.072 G31CA-CA-HA2 47.935 47.951 3.922 L32CA-CA-HA 58.276 58.287 3.866 L32CA-CB-HA 58.276 41.999 3.869 L32CB-CA-HB2 42.139 58.264 1.158 L32CD1-CB-HD1 25.345 42.146 0.785 L32CD1-CD1-HD1 25.345 25.428 0.785 L32CD1-CD2-HD1 25.345 23.335 0.786 L32CD2-CB-HD2 23.234 42.135 0.653 L32CD2-CD1-HD2 23.234 25.315 0.656 L32CD2-CD2-HD2 23.234 23.221 0.657 S33CA-CA-HA 61.455 61.423 4.314 S33CA-CB-HA 61.455 63.146 4.310 S33CB-CA-HB2 63.242 61.453 4.009 S33CB-CB-HB2 63.242 63.220 4.009 L34CA-CA-HA 55.078 55.037 4.445 L34CA-CB-HA 55.078 42.852 4.444 L34CA-CD1-HA 55.078 25.206 4.442 L34CB-CA-HB2 42.869 55.133 1.785 L34CB-CA-HB3 42.852 55.150 1.661 L34CB-CB-HB2 42.869 42.886 1.788 L34CB-CB-HB3 42.852 42.858 1.665 L34CB-CD1-HB2 42.869 25.262 1.787 L34CB-CD1-HB3 42.852 25.230 1.671 L34CD1-CA-HD1 25.196 55.036 0.903 L34CD1-CB-HD1 25.196 42.885 0.904 L34CD1-CD1-HD1 25.196 25.262 0.904 L34CD1-CD2-HD1 25.196 22.765 0.904 L34CD2-CB-HD2 22.779 43.038 0.905 L34CD2-CD1-HD2 22.779 25.312 0.903 L34CD2-CD2-HD2 22.779 22.802 0.903 L34CG-CB-HG 27.515 43.300 1.946 L34CG-CD1-HG 27.515 25.304 1.940 L34CG-CD2-HG 27.515 22.937 1.931 G35CA-CA-HA2 46.263 46.258 4.163 G35CA-CA-HA3 46.370 46.198 3.597 R36CA-CA-HA 54.900 54.897 4.547 R36CA-CD-HA 54.900 43.668 4.538 R36CA-CG-HA 54.900 26.857 4.547 R36CB-CA-HB2 29.836 54.875 1.854 R36CB-CB-HB2 29.836 29.940 1.856 R36CB-CB-HB3 29.860 29.850 1.681 R36CB-CD-HB2 29.836 43.505 1.856 R36CB-CD-HB3 29.860 43.559 1.688 R36CB-CG-HB2 29.836 26.930 1.854 R36CB-CG-HB3 29.860 26.803 1.688 R36CD-CA-HD2 43.509 54.694 3.212 R36CD-CB-HD2 43.509 29.868 3.205 R36CD-CD-HD2 43.509 43.450 3.214 R36CD-CG-HD2 43.509 26.930 3.214 R36CG-CB-HG2 26.912 29.958 1.530 R36CG-CD-HG2 26.912 43.487 1.525 R36CG-CG-HG2 26.912 26.912 1.534 I37CB-CB-HB 38.579 38.460 1.909 I37CB-CG1-HB 38.529 26.552 1.910 I37CB-CG2-HB 38.579 17.665 1.907 I37CD1-CD1-HD1 12.329 12.256 0.768 I37CD1-CG1-HD1 12.329 26.766 0.766 I37CG1-CB-HG12 26.529 38.629 1.315 I37CG1-CB-HG13 26.529 38.585 1.220 I37CG1-CD1-HG12 26.533 12.221 1.318 I37CG1-CD1-HG13 26.548 12.183 1.222 I37CG1-CG1-HG12 26.533 26.447 1.311 I37CG1-CG1-HG13 26.548 26.519 1.227 I37CG1-CG2-HG12 26.530 17.603 1.298 I37CG1-CG2-HG13 26.548 17.592 1.226 I37CG2-CB-HG2 17.652 38.805 0.915 I37CG2-CG1-HG2 17.652 26.661 0.911 I37CG2-CG2-HG2 17.652 17.691 0.913 H39CB-CA-HB2 31.418 57.833 3.219 H39CB-CB-HB2 31.418 31.389 3.219 A40CA-CA-HA 51.439 51.397 5.821 A40CA-CB-HA 51.439 22.716 5.812 A40CB-CA-HB 22.683 51.412 1.348 A40CB-CB-HB 22.683 22.597 1.343 Y41CA-CB-HA 56.863 42.455 4.812 Y41CB-CA-HB2 42.384 56.886 2.909 Y41CB-CB-HB2 42.384 42.364 2.909 L42CD1-CA-HD1 26.508 53.051 0.673 L42CD1-CB-HD1 26.508 45.190 0.672 L42CD1-CD1-HD1 26.508 26.473 0.668 L42CD1-CD2-HD1 26.508 25.369 0.675 L42CD1-CG-HD1 26.508 27.847 0.670 L42CD2-CA-HD2 25.305 53.097 0.768 L42CD2-CB-HD2 25.305 45.208 0.765 L42CD2-CD1-HD2 25.305 26.631 0.771 L42CG-CD1-HG 27.783 26.529 1.371 L42CG-CD2-HG 27.783 25.290 1.377 L42CG-CG-HG 27.783 27.795 1.378 F43CA-CA-HA 56.642 56.624 5.570 F43CA-CB-HA 56.642 40.822 5.591 F43CB-CA-HB2 40.931 56.566 2.937 F43CB-CB-HB2 40.931 40.881 2.936 S44CA-CB-HA 56.257 66.911 6.154 S44CB-CA-HB2 66.885 56.431 3.578 G45CA-CA-HA2 44.704 44.636 4.484 G45CA-CA-HA3 44.690 44.565 3.938 T46CA-CA-HA 62.697 62.541 4.280 T46CA-CB-HA 62.697 70.055 4.286 T46CB-CA-HB 69.838 62.488 4.333 T46CG2-CB-HG2 21.572 69.620 1.441 T46CG2-CG2-HG2 21.572 21.802 1.443 T46CG2-CG2-HG2 21.924 21.852 1.441 G48CA-CA-HA2 45.550 45.583 3.952 V49CA-CA-HA 62.600 62.705 4.590 V49CB-CB-HB 32.123 32.152 2.351 V49CB-CG1-HB 32.123 21.659 2.348 V49CB-CG2-HB 32.123 19.993 2.351 V49CG1-CB-HG1 21.582 32.210 0.923 V49CG1-CG1-HG1 21.582 21.543 0.922 V49CG1-CG2-HG1 21.582 19.943 0.920 V49CG2-CB-HG2 19.839 32.160 1.024 V49CG2-CG1-HG2 19.839 21.526 1.022 V49CG2-CG2-HG2 19.839 19.709 1.023 G50CA-CA-HA2 45.481 45.489 3.831 G50CA-CA-HA3 45.437 45.462 4.457 K51CA-CA-HA 61.358 61.450 3.600 T52CA-CB-HA 65.226 68.678 3.789 T52CB-CA-HB 68.583 65.108 4.242 T52CG2-CG2-HG2 22.635 22.526 1.146 S53CA-CA-HA 61.539 61.453 4.132 S53CB-CA-HB2 62.566 61.506 3.693 I54CA-CA-HA 64.643 64.587 3.462 I54CB-CB-HB 36.194 36.217 1.454 I54CB-CD1-HB 36.194 13.074 1.454 I54CB-CG1-HB 36.194 30.023 1.451 I54CB-CG2-HB 36.194 17.827 1.451 I54CD1-CD1-HD1 13.181 13.149 0.725 I54CD1-CG1-HD1 13.202 30.047 0.724 I54CG1-CB-HG12 30.011 36.151 1.019 I54CG1-CD1-HG12 30.011 13.253 1.017 I54CG1-CG1-HG13 29.850 29.817 1.566 I54CG1-CG2-HG12 30.011 17.809 1.015 I54CG2-CB-HG2 17.878 36.549 0.357 I54CG2-CG1-HG2 17.878 29.860 0.359 I54CG2-CG2-HG2 17.878 18.050 0.352 A55CA-CA-HA 55.281 55.203 3.605 A55CB-CB-HB 17.892 18.030 1.228 R56CA-CA-HA 60.597 60.726 3.546 L57CA-CB-HA 57.886 41.704 3.715 L57CD1-CB-HD1 25.323 41.685 0.310 L57CD1-CD1-HD1 25.316 25.397 0.310 L57CD1-CD2-HD1 25.316 23.078 0.305 L57CD2-CB-HD2 23.168 41.601 0.240 L57CD2-CD1-HD2 23.168 25.552 0.244 L57CD2-CD2-HD2 23.168 23.101 0.245 L57CG-CB-HG 26.272 41.799 1.504 L57CG-CD1-HG 26.272 25.302 1.502 L57CG-CD2-HG 26.272 23.337 1.502 L57CG-CG-HG 26.272 26.189 1.502 L58CB-CB-HB2 41.424 41.370 2.226 L58CD1-CB-HD1 24.000 41.485 0.825 L58CD1-CD1-HD1 24.000 23.916 0.823 L58CD1-CD2-HD1 24.000 26.514 0.821 L58CD1-CG-HD1 24.006 27.519 0.818 L58CD2-CB-HD2 26.372 41.528 0.355 L58CD2-CD1-HD2 26.372 24.060 0.353 L58CD2-CD2-HD2 26.372 26.457 0.357 L58CD2-CG-HD2 26.372 27.404 0.362 L58CG-CD1-HG 27.383 24.103 1.302 L58CG-CG-HG 27.383 27.318 1.306 A59CA-CA-HA 55.849 55.903 3.812 A59CB-CB-HB 18.364 18.337 1.477 K60CA-CA-HA 59.243 59.260 4.004 K60CA-CB-HA 59.243 34.046 3.997 K60CA-CD-HA 59.243 29.653 4.005 K60CB-CB-HB2 34.137 34.135 1.704 K60CB-CD-HB2 34.137 29.721 1.706 K60CB-CE-HB2 34.137 41.999 1.703 K60CB-CG-HB2 34.137 25.067 1.701 K60CD-CB-HD2 29.707 34.012 1.586 K60CD-CD-HD2 29.707 29.689 1.595 K60CD-CE-HD2 29.707 41.967 1.591 K60CD-CG-HD2 29.707 25.070 1.588 K60CE-CD-HE3 41.993 29.673 2.714 K60CE-CE-HE3 41.993 41.951 2.712 K60CE-CG-HE3 41.993 25.062 2.712 K60CG-CB-HG2 25.004 34.036 1.236 K60CG-CD-HG2 25.004 29.738 1.234 K60CG-CE-HG2 25.004 42.015 1.229 G61CA-CA-HA2 48.236 48.123 4.048 G61CA-CA-HA3 48.224 48.112 3.903 L62CA-CA-HA 57.160 57.202 4.258 L62CA-CB-HA 57.160 42.349 4.262 L62CB-CB-HB2 42.410 42.384 1.912 L62CB-CD1-HB2 42.410 25.564 1.918 L62CB-CD2-HB2 42.410 23.357 1.915 L62CD1-CB-HD1 25.448 42.361 0.475 L62CD1-CD1-HD1 25.448 25.508 0.473 L62CD1-CD2-HD1 25.448 23.516 0.469 L62CD2-CB-HD2 23.487 42.441 0.667 L62CD2-CD1-HD2 23.487 25.428 0.664 L62CD2-CD2-HD2 23.487 23.470 0.670 N63CA-CA-HA 53.640 53.694 5.179 N63CA-CB-HA 53.640 42.047 5.183 N63CB-CA-HB2 42.104 53.556 2.794 C64CA-CA-HA 62.474 62.459 4.182 C64CB-CB-HB2 27.355 27.376 3.004 E65CB-CB-HB2 30.677 30.647 2.230 E65CB-CG-HB2 30.677 37.938 2.235 E65CG-CA-HG2 37.957 60.243 2.441 E65CG-CB-HG2 37.957 30.575 2.434 E65CG-CB-HG3 38.014 30.629 2.733 E65CG-CG-HG2 37.957 37.938 2.436 E65CG-CG-HG3 38.014 38.010 2.742 T66CA-CA-HA 64.198 64.262 4.268 T66CA-CB-HA 64.198 70.332 4.272 T66CB-CA-HB 70.102 64.112 4.383 T66CG2-CG2-HG2 21.924 21.876 1.452 G67CA-CA-HA2 43.837 43.761 4.327 G67CA-CA-HA3 43.823 43.818 3.645 I68CA-CA-HA 62.493 62.576 4.466 I68CB-CG2-HB 37.914 18.711 1.751 I68CD1-CD1-HD1 14.297 14.180 1.190 I68CD1-CG1-HD1 14.297 28.736 1.193 I68CG2-CG2-HG2 18.743 18.774 0.970 T69CB-CA-HB 68.985 59.071 3.878 A70CA-CA-HA 52.064 52.165 4.203 A70CA-CB-HA 52.064 19.099 4.212 A70CB-CA-HB 19.307 52.188 1.413 A70CB-CB-HB 19.307 19.294 1.408 T71CA-CB-HA 56.839 69.210 4.575 T71CB-CA-HB 69.133 56.928 4.190 T71CG2-CA-HG2 20.927 56.926 1.055 T71CG2-CG2-HG2 20.927 20.844 1.053 C73CA-CA-HA 61.749 61.706 4.373 C73CB-CB-HB2 30.520 30.405 3.021 G74CA-CA-HA2 47.082 47.008 4.350 G74CA-CA-HA3 46.974 47.047 3.634 V75CA-CA-HA 61.744 61.779 4.542 V75CB-CG1-HB 34.278 19.008 2.303 V75CB-CG2-HB 34.278 21.331 2.306 V75CG1-CB-HG1 19.068 34.536 0.829 V75CG1-CG1-HG1 19.068 19.048 0.835 V75CG1-CG2-HG1 19.068 21.321 0.831 V75CG2-CB-HG2 21.318 34.345 0.859 V75CG2-CG1-HG2 21.318 19.099 0.860 V75CG2-CG2-HG2 21.318 21.442 0.863 C76CB-CA-HB2 30.520 57.299 3.042 C76CB-CB-HB2 30.554 30.472 3.045 D77CA-CA-HA 58.397 58.449 4.236 D77CA-CB-HA 58.397 40.109 4.233 D77CB-CA-HB2 40.098 58.582 2.736 D77CB-CB-HB2 40.098 40.142 2.734 N78CA-CA-HA 56.541 56.627 3.806 N78CA-CB-HA 56.541 36.877 3.806 N78CB-CA-HB2 36.967 56.405 2.945 C79CA-CA-HA 66.330 66.323 3.608 C79CB-CB-HB2 29.254 29.253 2.669 R80CA-CA-HA 59.617 59.572 3.841 R80CA-CB-HA 59.617 30.143 3.838 R80CA-CD-HA 59.617 43.252 3.844 R80CA-CG-HA 59.617 28.004 3.841 R80CB-CB-HB2 30.237 30.163 1.725 R80CB-CD-HB2 30.237 43.246 1.711 R80CB-CG-HB2 30.237 27.809 1.722 R80CD-CA-HD2 43.253 59.620 3.158 R80CD-CB-HD2 43.253 30.190 3.159 R80CD-CD-HD2 43.253 43.204 3.159 R80CD-CG-HD2 43.253 27.815 3.159 R80CG-CA-HG2 27.866 59.544 1.422 R80CG-CB-HG2 27.866 30.270 1.439 R80CG-CD-HG2 27.866 43.231 1.427 R80CG-CG-HG2 27.866 27.870 1.431 E81CB-CB-HB2 29.386 29.463 1.896 E81CB-CG-HB2 29.386 37.939 1.897 E81CG-CB-HG2 37.942 29.366 2.133 E81CG-CG-HG2 37.942 37.805 2.124 I82CD1-CD1-HD1 13.366 13.397 0.493 I82CD1-CG1-HD1 13.366 32.085 0.485 I82CG2-CG2-HG2 16.783 16.879 0.696 E83CA-CA-HA 59.064 59.099 3.918 E83CA-CB-HA 59.064 29.401 3.924 E83CB-CA-HB2 29.524 59.128 2.147 E83CB-CB-HB2 29.524 29.491 2.157 E83CB-CG-HB2 29.524 35.502 2.146 E83CG-CA-HG2 35.562 59.062 2.262 E83CG-CB-HG2 35.562 29.501 2.260 E83CG-CG-HG2 35.562 35.541 2.263 Q84CA-CA-HA 55.890 55.919 4.220 Q84CA-CB-HA 55.890 29.648 4.232 Q84CA-CG-HA 55.890 34.033 4.241 Q84CB-CB-HB2 29.567 29.455 2.244 Q84CB-CB-HB3 29.628 29.631 1.941 Q84CB-CG-HB2 29.567 34.001 2.250 Q84CB-CG-HB3 29.628 33.942 1.942 Q84CG-CB-HG2 34.059 29.647 2.566 Q84CG-CG-HG2 34.059 34.019 2.558 G85CA-CA-HA2 46.664 46.657 4.031 R86CB-CA-HB2 31.413 54.457 1.907 R86CB-CA-HB3 31.366 54.471 1.644 R86CB-CB-HB2 31.413 31.386 1.906 R86CB-CB-HB3 31.366 31.270 1.646 R86CB-CD-HB2 31.413 43.541 1.906 R86CB-CD-HB3 31.366 43.512 1.644 R86CB-CG-HB2 31.413 27.045 1.906 R86CB-CG-HB3 31.366 26.988 1.639 R86CD-CB-HD2 43.589 31.377 3.207 R86CD-CD-HD2 43.589 43.590 3.213 R86CD-CG-HD2 43.589 27.100 3.212 R86CG-CA-HG2 26.978 54.428 1.505 R86CG-CB-HG2 26.978 31.270 1.505 R86CG-CD-HG2 26.978 43.498 1.482 R86CG-CG-HG2 26.978 27.002 1.500 F87CA-CA-HA 55.629 55.650 5.046 F87CA-CB-HA 55.629 40.538 5.046 F87CB-CA-HB2 40.433 55.810 3.041 F87CB-CB-HB2 40.433 40.507 3.049 V88CB-CG2-HB 31.424 19.910 2.010 V88CG1-CB-HG1 20.025 31.381 0.756 V88CG1-CG1-HG1 20.025 19.910 0.757 V88CG2-CB-HG2 19.834 31.358 0.714 V88CG2-CG2-HG2 19.834 19.910 0.713 D89CB-CA-HB2 42.542 54.277 3.302 D89CB-CB-HB2 42.542 42.576 3.311 L90CD1-CB-HD1 27.508 44.239 0.940 L90CD1-CD1-HD1 27.508 27.721 0.940 L90CD1-CD2-HD1 27.508 24.549 0.946 L90CD2-CB-HD2 24.586 44.247 0.764 L90CD2-CD1-HD2 24.586 27.522 0.764 L90CD2-CD2-HD2 24.586 24.679 0.769 I91CB-CG1-HB 38.065 28.232 1.317 I91CD1-CD1-HD1 13.640 13.547 0.460 I91CD1-CG1-HD1 13.640 28.401 0.461 I91CG1-CD1-HG12 28.214 13.487 1.095 E92CG-CB-HG2 37.329 30.281 1.975 E92CG-CB-HG3 37.425 30.282 2.294 E92CG-CG-HG2 37.329 37.325 1.982 E92CG-CG-HG3 37.425 37.242 2.281 I93CA-CA-HA 60.383 60.382 4.284 I93CA-CB-HA 60.383 41.939 4.286 I93CA-CG1-HA 60.383 27.514 4.282 I93CA-CG2-HA 60.383 17.135 4.296 I93CB-CA-HB 41.881 60.268 1.891 I93CB-CG1-HB 41.881 27.406 1.881 I93CB-CG2-HB 41.881 17.264 1.884 I93CD1-CD1-HD1 14.082 13.913 0.990 I93CD1-CG1-HD1 14.079 27.578 0.987 I93CG1-CD1-HG12 27.474 14.056 1.168 I93CG1-CG1-HG12 27.474 27.514 1.179 I93CG2-CB-HG2 17.218 41.946 0.870 I93CG2-CG2-HG2 17.218 17.350 0.867 D94CA-CA-HA 52.340 52.483 4.885 D94CA-CB-HA 52.340 40.452 4.878 D94CB-CA-HB2 40.376 52.146 2.927 D94CB-CA-HB3 40.350 52.208 2.722 D94CB-CB-HB2 40.376 40.497 2.935 D94CB-CB-HB3 40.350 40.352 2.723 A95CA-CA-HA 54.289 54.270 3.975 A95CB-CA-HB 19.339 54.262 1.246 A95CB-CB-HB 19.339 19.259 1.249 A96CA-CA-HA 53.066 53.021 4.199 A96CB-CA-HB 19.279 52.827 1.482 A96CB-CB-HB 19.279 19.265 1.472 S97CA-CA-HA 58.583 58.561 4.402 S97CA-CB-HA 58.583 63.580 4.395 S97CB-CA-HB2 63.441 58.568 3.963 S97CB-CB-HB2 63.441 63.491 3.963 T99CA-CA-HA 58.233 58.292 3.822 T99CA-CB-HA 58.233 65.250 3.831 T99CB-CA-HA 65.089 58.262 3.830 T99CB-CB-HA 65.089 65.151 3.829 V101CA-CA-HA 64.469 64.418 3.951 V101CB-CB-HB 32.304 32.270 2.142 V101CB-CG1-HB 32.304 21.199 2.139 V101CG1-CB-HG1 21.241 32.270 0.992 V101CG1-CG1-HG1 21.241 21.175 0.989 V101CG2-CB-HG2 21.280 32.143 1.029 V101CG2-CG2-HG2 21.280 21.245 1.034 E102CA-CA-HA 58.238 58.229 4.186 E102CA-CB-HA 58.238 29.528 4.187 E102CB-CB-HB2 29.485 29.404 2.003 E102CB-CG-HB2 29.485 36.653 2.008 E102CG-CA-HG2 36.623 58.281 2.298 E102CG-CB-HG2 36.623 29.408 2.302 E102CG-CG-HG2 36.623 36.590 2.302 D103CA-CA-HA 55.677 55.578 4.584 D103CA-CB-HA 55.677 41.225 4.581 D103CB-CA-HB2 41.218 55.840 2.734 D103CB-CB-HB2 41.218 41.185 2.730 T104CA-CA-HA 64.539 64.548 4.043 T104CA-CB-HA 64.539 69.139 4.043 T104CB-CA-HB 69.007 64.319 4.305 T104CG2-CG2-HG2 22.193 22.134 1.184 R105CA-CA-HA 58.191 58.079 4.057 R105CA-CG-HA 58.191 26.654 4.068 R105CB-CA-HB2 30.142 58.296 1.852 R105CB-CB-HB2 30.142 30.078 1.860 R105CB-CD-HB2 30.142 43.407 1.854 R105CB-CG-HB2 30.142 26.871 1.852 R105CD-CB-HD2 43.332 30.013 3.087 R105CD-CD-HD2 43.332 43.255 3.087 R105CD-CG-HD2 43.332 26.806 3.087 R105CG-CB-HG2 26.875 30.122 1.597 R105CG-CD-HG2 26.875 43.363 1.603 R105CG-CG-HG2 26.875 27.001 1.605 D106CA-CA-HA 56.109 56.130 4.489 D106CA-CB-HA 56.109 41.054 4.498 D106CB-CA-HB2 41.058 55.946 2.736 D106CB-CB-HB2 41.058 41.111 2.737 L107CB-CA-HB2 42.764 57.800 1.547 L107CB-CB-HB2 42.764 42.753 1.548 L107CD1-CB-HD1 23.913 42.752 0.904 L107CD1-CD1-HD1 23.913 23.839 0.898 L107CD1-CD2-HD1 23.913 25.573 0.904 L107CD1-CG-HD1 23.913 27.135 0.901 L107CD2-CB-HD2 25.412 42.889 0.911 L107CD2-CD1-HD2 25.412 23.885 0.911 L107CD2-CD2-HD2 25.412 25.332 0.908 L107CD2-CG-HD2 25.412 27.008 0.905 L107CG-CB-HG 27.134 42.752 1.769 L107CG-CD1-HG 27.013 24.017 1.769 L107CG-CD2-HG 27.134 25.515 1.760 L107CG-CG-HG 27.134 27.054 1.769 L108CD1-CB-HD1 25.989 41.055 0.774 L108CD1-CD1-HD1 25.989 26.007 0.781 L108CD1-CD2-HD1 25.989 22.828 0.778 L108CD2-CB-HD2 22.752 41.120 0.569 L108CD2-CD1-HD2 22.752 25.902 0.576 L108CD2-CD2-HD2 22.752 22.671 0.564 D109CA-CA-HA 56.126 56.192 4.574 D109CA-CB-HA 56.126 41.128 4.572 D109CB-CA-HB2 41.113 56.065 2.730 D109CB-CB-HB2 41.113 41.110 2.716 N110CA-CA-HA 53.304 53.377 4.892 N110CA-CB-HA 53.304 38.877 4.889 N110CB-CA-HB2 38.745 53.400 2.818 N110CB-CA-HB3 38.784 53.389 2.910 N110CB-CB-HB2 38.745 38.612 2.810 N110CB-CB-HB3 38.784 38.900 2.903 V111CA-CA-HA 64.769 64.690 4.049 V111CB-CG1-HB 31.921 21.041 2.183 V111CG1-CB-HG1 21.123 31.963 0.938 V111CG1-CG1-HG1 21.123 21.143 0.943 V111CG1-CG2-HG1 21.123 21.980 0.944 V111CG2-CB-HG2 21.979 31.993 1.013 V111CG2-CG1-HG2 21.979 21.173 1.013 V111CG2-CG2-HG2 21.979 22.091 1.015 Q112CA-CA-HA 56.724 56.687 4.169 Y113CA-CA-HA 57.829 57.869 4.494 Y113CA-CB-HA 57.829 38.409 4.495 Y113CB-CA-HB2 38.377 57.820 3.161 Y113CB-CB-HB2 38.377 38.422 3.159 A116CA-CA-HA 53.943 53.953 4.195 A116CA-CB-HA 53.943 20.460 4.203 A116CB-CA-HB 20.313 53.999 1.326 A116CB-CB-HB 20.313 20.264 1.329 R117CA-CA-HA 57.150 57.217 4.442 R117CA-CB-HA 57.150 34.321 4.450 R117CA-CD-HA 57.150 43.046 4.437 R117CA-CG-HA 57.150 27.328 4.437 R117CB-CA-HB2 34.421 57.072 1.809 R117CB-CA-HB3 34.441 57.085 1.552 R117CB-CB-HB2 34.421 34.439 1.798 R117CB-CB-HG3 34.441 34.399 1.566 R117CB-CD-HB2 34.421 43.046 1.800 R117CB-CD-HB3 34.441 43.026 1.552 R117CB-CG-HB2 34.421 27.288 1.796 R117CB-CG-HB3 34.441 27.366 1.552 R117CD-CB-HD2 43.085 34.557 3.322 R117CD-CB-HD3 43.120 34.490 3.257 R117CD-CD-HD2 43.085 43.275 3.318 R117CD-CD-HD3 43.120 43.241 3.261 R117CD-CG-HD2 43.085 27.475 3.318 R117CD-CG-HD3 43.120 27.373 3.259 R117CG-CA-HG2 27.289 57.046 1.663 R117CG-CA-HG3 27.289 56.902 1.567 R117CG-CB-HG2 27.309 34.355 1.670 R117CG-CB-HG3 27.289 34.304 1.566 R117CG-CD-HG2 27.309 43.208 1.663 R117CG-CD-HG3 27.289 43.230 1.581 R117CG-CG-HG2 27.309 27.340 1.674 R117CG-CG-HG3 27.289 27.328 1.590 G118CA-CA-HA2 44.656 44.589 3.907 G118CA-CA-HA3 44.298 44.255 3.615 F120CA-CA-HA 55.704 55.754 5.251 F120CA-CB-HA 55.704 43.539 5.249 F120CB-CA-HB2 43.671 55.772 2.984 K121CB-CD-HB2 34.278 29.834 1.403 K121CB-CG-HB2 34.288 25.041 1.397 V122CA-CA-HA 60.386 60.317 4.909 V122CB-CB-HB 34.228 34.275 2.006 V122CB-CG1-HB 34.228 22.205 2.011 V122CG1-CA-HG1 22.354 60.429 0.758 V122CG1-CB-HG1 22.354 34.196 0.753 V122CG1-CG1-HG1 22.354 22.396 0.750 Y123CA-CA-HA 56.896 56.877 5.035 Y123CA-CB-HA 56.896 41.063 5.029 L124CA-CA-HA 53.723 53.725 5.834 L124CA-CB-HA 53.723 44.715 5.830 L124CB-CA-HB2 44.704 53.741 1.930 L124CB-CA-HB3 44.630 53.751 1.251 L124CB-CD1-HB2 44.704 25.276 1.932 L124CB-CD1-HB3 44.630 25.346 1.266 L124CD1-CA-HD1 25.280 53.625 0.783 L124CD1-CB-HD1 25.315 44.859 0.787 L124CD1-CD1-HD1 25.280 25.285 0.783 L124CD1-CD2-HD1 25.280 23.754 0.785 L124CD1-CG-HD1 25.280 29.186 0.786 L124CD2-CA-HD2 23.779 53.701 0.781 L124CD2-CB-HD2 23.779 44.753 0.780 L124CD2-CD1-HD2 23.779 25.365 0.782 L124CD2-CD2-HD2 23.779 23.842 0.782 L124CD2-CG-HD2 23.779 29.127 0.780 L124CG-CD1-HG 29.146 25.273 1.686 L124CG-CD2-HG 29.146 23.827 1.682 I125CA-CA-HA 60.448 60.516 5.135 I125CB-CG1-HB 38.952 26.777 2.077 I125CB-CG2-HB 38.952 17.665 2.077 I125CD1-CD1-HD1 13.615 13.580 0.962 I125CG2-CG1-HG2 17.868 26.842 0.906 I125CG2-CG2-HG2 17.868 17.864 0.910 D126CA-CA-HA 53.514 53.680 5.121 D126CA-CB-HA 53.514 43.346 5.123 D126CB-CA-HB2 43.467 53.490 2.553 D126CB-CA-HB3 43.455 53.522 2.773 V128CA-CA-HA 64.221 64.161 3.590 V128CB-CB-HB 31.660 31.614 2.184 V128CB-CG2-HB 31.614 22.913 2.183 V128CG1-CB-HG1 20.277 31.487 1.065 V128CG1-CG1-HG1 20.277 20.187 1.071 V128CG1-CG2-HG1 20.277 22.748 1.077 V128CG2-CB-HG2 22.878 31.438 1.108 V128CG2-CG2-HG2 22.878 22.855 1.100 M130CE-CE-HE 16.695 16.764 2.133 L131CD1-CB-HD1 26.509 42.338 0.660 L131CD1-CD1-HD1 26.509 26.528 0.643 L131CD1-CD2-HD1 26.509 23.179 0.654 L131CD2-CB-HD2 23.084 42.447 0.805 L131CD2-CD1-HD2 23.083 26.643 0.808 L131CD2-CD2-HD2 23.084 23.118 0.807 S132CA-CA-HA 57.410 57.514 4.373 S132CA-CB-HA 57.410 65.078 4.377 S132CB-CA-HB2 64.834 57.637 4.113 H134CA-CA-HA 59.956 59.906 4.380 H134CA-CB-HA 59.949 30.596 4.366 H134CB-CA-HB2 30.733 59.855 3.171 H134CB-CA-HB3 30.716 59.863 3.082 H134CB-CB-HB2 30.733 30.665 3.182 H134CB-CB-HB3 30.716 30.708 3.086 S135CA-CA-HA 62.439 62.482 4.294 S135CA-CB-HA 62.439 63.461 4.296 F136CA-CB-HA 61.537 38.669 4.140 F136CB-CA-HB2 38.469 61.516 3.091 F136CB-CB-HB2 38.469 38.412 3.083 N137CA-CA-HA 56.410 56.523 4.392 N137CA-CB-HA 56.410 37.971 4.389 N137CB-CA-HB2 38.065 56.339 2.898 N137CB-CA-HB3 38.024 56.400 2.777 N137CB-CB-HB2 38.065 38.081 2.899 N137CB-CB-HB3 38.024 38.057 2.786 A138CA-CA-HA 55.106 55.201 4.083 A138CB-CA-HB 18.485 55.079 1.432 A138CB-CB-HB 18.485 18.453 1.436 L139CA-CA-HA 57.886 57.928 3.701 L139CA-CB-HA 57.886 42.072 3.692 L139CA-CD1-HA 57.886 25.643 3.701 L139CD1-CB-HD1 25.783 42.049 0.529 L139CD1-CD1-HD1 25.783 25.822 0.527 L139CD1-CD2-HD1 25.783 23.306 0.520 L139CD1-CG-HD1 25.783 26.931 0.526 L139CD2-CB-HD2 23.213 41.797 0.205 L139CD2-CD1-HD2 23.213 25.804 0.200 L139CD2-CD2-HD2 23.213 23.120 0.205 L139CD2-CG-HD2 23.213 26.876 0.201 L139CG-CB-HG 26.890 41.881 1.093 L139CG-CD2-HG 26.890 23.282 1.106 L139CG-CG-HG 26.890 26.830 1.103 L140CB-CA-HB2 41.477 58.495 1.701 L140CB-CA-HB3 41.396 58.408 1.424 L140CB-CB-HB2 41.477 41.469 1.693 L140CB-CB-HB3 41.396 41.373 1.427 L140CD1-CB-HD1 23.595 41.532 0.740 L140CD1-CD1-HD1 23.595 23.700 0.741 L140CD1-CD2-HD1 23.595 25.013 0.737 L140CD1-CG-HD1 23.634 27.030 0.737 L140CD2-CB-HD2 25.038 41.583 0.775 L140CD2-CD1-HD2 25.038 23.627 0.782 L140CD2-CD2-HD2 25.038 25.127 0.782 L140CD2-CG-HD2 25.037 27.030 0.781 L140CG-CB-HG 27.023 41.501 1.460 L140CG-CD1-HG 27.023 23.617 1.455 L140CG-CD2-HG 27.023 24.972 1.451 L140CG-CG-HG 27.023 26.906 1.451 K141CD-CA-HD2 28.685 58.936 1.645 K141CD-CB-HD2 28.685 31.748 1.653 K141CD-CD-HD2 28.685 28.687 1.651 K141CD-CE-HD2 28.685 42.090 1.649 K141CD-CG-HD2 28.685 24.626 1.647 K141CE-CB-HE2 42.191 31.882 2.957 K141CE-CD-HE2 42.191 28.696 2.952 K141CE-CE-HE2 42.191 42.090 2.952 K141CE-CG-HE2 42.191 24.832 2.950 K141CG-CA-HG2 24.655 58.956 1.480 K141CG-CB-HG2 24.655 31.706 1.477 K141CG-CD-HG2 24.655 28.764 1.478 K141CG-CE-HG2 24.655 42.119 1.477 K141CG-CG-HG2 24.653 24.665 1.480 T142CB-CA-HB 68.129 66.291 4.067 T142CG2-CG2-HG2 23.034 22.987 1.250 L143CD1-CB-HD1 23.467 41.851 0.507 L143CD1-CD1-HD1 23.467 23.464 0.512 L143CD1-CD2-HD1 23.467 26.015 0.515 L143CD2-CB-HD2 25.770 42.035 0.472 L143CD2-CD1-HD2 25.768 23.472 0.467 L143CD2-CD2-HD2 25.770 25.878 0.466 L143CG-CB-HG 26.611 41.882 1.475 L143CG-CD1-HG 26.611 23.478 1.483 L143CG-CD2-HG 26.611 25.783 1.486 L143CG-CG-HG 26.611 26.657 1.482 E144CA-CA-HA 58.899 58.959 3.910 E144CA-CB-HA 58.899 30.386 3.917 E144CA-CG-HA 58.899 36.640 3.916 E144CB-CB-HB2 30.243 30.195 2.076 E144CB-CB-HB3 30.243 30.157 1.990 E144CB-CG-HB2 30.313 36.559 2.077 E144CB-CG-HB3 30.313 36.499 1.986 E144CG-CA-HG2 36.644 58.947 2.449 E144CG-CA-HG3 36.755 59.058 2.073 E144CG-CB-HG2 36.644 30.235 2.450 E144CG-CB-HG3 36.638 30.214 2.086 E144CG-CG-HG2 36.644 36.729 2.462 E144CG-CG-HG3 36.755 36.706 2.086 E145CA-CA-HA 53.733 53.716 4.539 E145CA-CB-HA 53.733 30.232 4.537 E145CA-CG-HA 53.733 36.251 4.536 E145CB-CA-HB2 30.264 53.700 1.988 E145CB-CA-HB3 30.235 53.652 1.815 E145CB-CB-HB2 30.264 30.240 1.990 E145CB-CB-HB3 30.235 30.193 1.819 E145CB-CG-HB2 30.264 36.243 1.985 E145CB-CG-HB3 30.235 36.476 1.818 E145CG-CA-HG2 36.449 53.853 2.144 E145CG-CB-HG2 36.449 30.200 2.139 E145CG-CG-HG2 36.449 36.493 2.139 E148CA-CA-HA 59.206 59.246 4.151 E148CA-CB-HA 59.206 30.007 4.159 E148CA-CG-HA 59.206 36.530 4.152 E148CB-CB-HB2 30.159 30.135 2.125 E148CB-CG-HB2 30.159 36.521 2.136 E148CG-CA-HG2 36.512 59.308 2.349 E148CG-CB-HG2 36.513 30.103 2.352 E148CG-CG-HG2 36.512 36.435 2.350 H149CA-CA-HA 56.847 56.872 5.106 H149CA-CB-HA 56.847 31.106 5.108 V150CA-CA-HA 60.473 60.569 5.422 V150CB-CB-HB 34.465 34.347 1.697 V150CB-CG1-HB 34.465 22.650 1.695 V150CG1-CB-HG1 22.674 34.293 0.754 V150CG1-CG1-HG1 22.674 22.559 0.748 V150CG2-CB-HG2 22.674 34.311 0.659 V150CG2-CG2-HG2 22.674 22.632 0.659 F152CA-CA-HA 58.043 58.084 5.181 F152CA-CB-HA 58.043 41.330 5.186 F152CB-CB-HB2 41.612 41.551 3.124 L153CA-CB-HA 53.539 42.340 5.285 L153CA-CD1-HA 53.539 25.389 5.287 L153CA-CD2-HA 53.539 27.954 5.284 L153CD1-CB-HD1 25.481 42.383 0.947 L153CD1-CD1-HD1 25.481 25.427 0.950 L153CD1-CD2-HD1 25.481 28.034 0.952 L153CD2-CB-HD2 28.033 42.323 0.858 L153CD2-CD1-HD2 28.033 25.518 0.856 L153CD2-CD2-HD2 28.033 27.971 0.858 L153CG-CA-HG 28.033 53.474 0.857 L154CA-CA-HA 53.149 53.193 5.306 L154CA-CB-HA 53.149 44.694 5.302 L154CA-CD1-HA 53.149 25.375 5.295 L154CB-CA-HB2 44.648 53.288 1.414 L154CB-CD2-HB2 44.648 25.166 1.421 L154CD1-CA-HD1 25.381 53.233 0.882 L154CD1-CB-HD1 25.381 44.770 0.886 L154CD1-CD1-HD1 25.381 25.407 0.886 L154CD2-CB-HD2 25.060 44.715 1.050 L154CD2-CD1-HD2 25.060 25.435 1.051 L154CD2-CD2-HD2 25.060 25.010 1.048 L154CD2-CG-HD2 25.059 27.812 1.050 A155CA-CA-HA 50.300 50.304 6.184 A155CA-CB-HA 50.300 22.717 6.191 A155CB-CA-HB 22.647 50.320 1.548 A155CB-CB-HB 22.647 22.579 1.545 T156CA-CA-HA 61.043 61.089 5.421 T156CA-CB-HA 61.043 68.925 5.432 T157CA-CA-HA 61.625 61.797 5.024 T157CA-CB-HA 61.625 71.189 5.044 T157CB-CA-HB 71.198 61.615 4.491 T157CG2-CG2-HG2 22.149 22.133 1.572 D158CA-CA-HA 51.625 51.614 5.030 D158CA-CB-HA 51.625 40.956 5.030 D158CB-CA-HB2 41.074 51.540 1.719 D158CB-CA-HB3 41.167 51.604 2.066 D158CB-CB-HB2 41.074 41.014 1.725 D158CB-CB-HB3 41.167 41.042 2.064 Q160CA-CA-HA 57.718 57.845 4.156 Q160CA-CB-HA 57.718 27.600 4.157 Q160CA-CG-HA 57.718 34.523 4.165 Q160CB-CB-HB2 27.738 27.589 2.116 Q160CB-CG-HB2 27.738 34.535 2.111 Q160CG-CB-HG2 34.486 27.713 2.439 Q160CG-CG-HG2 34.486 34.512 2.437 K161CA-CA-HA 56.269 56.244 4.221 K161CA-CB-HA 56.269 33.067 4.217 K161CA-CG-HA 56.269 26.031 4.211 K161CB-CA-HB2 33.182 56.184 2.108 K161CB-CB-HB2 33.182 33.064 2.116 K161CB-CD-HB2 33.182 28.971 2.114 K161CB-CG-HB2 33.182 26.076 2.116 K161CD-CB-HD2 29.176 32.946 1.716 K161CD-CB-HD3 28.928 32.986 1.569 K161CD-CD-HD2 29.176 29.119 1.698 K161CD-CD-HD3 28.928 28.950 1.572 K161CD-CE-HD2 29.176 42.181 1.707 K161CD-CE-HD3 28.928 42.286 1.564 K161CD-CG-HD2 29.176 26.000 1.699 K161CD-CG-HD3 28.928 25.997 1.567 K161CE-CB-HE2 42.300 32.836 3.033 K161CE-CD-HE2 42.300 29.039 3.026 K161CE-CE-HE2 42.300 42.286 3.018 K161CE-CG-HE2 42.300 26.038 3.015 K161CG-CA-HG2 25.995 56.241 1.421 K161CG-CB-HG2 25.995 33.130 1.416 K161CG-CB-HG3 25.933 33.017 1.349 K161CG-CD-HG2 25.995 28.971 1.413 K161CG-CD-HG3 25.933 29.057 1.327 K161CG-CE-HG2 25.995 42.340 1.421 K161CG-CE-HG3 25.933 42.312 1.328 K161CG-CG-HG2 25.995 25.996 1.421 K161CG-CG-HG3 25.933 26.139 1.332 L162CA-CA-HA 52.410 52.437 4.445 L162CA-CB-HA 52.410 41.842 4.450 L162CA-CD1-HA 52.410 26.737 4.444 L162CB-CA-HB2 41.903 52.516 1.901 L162CB-CB-HB2 41.903 41.821 1.904 L162CB-CD1-HB2 41.903 26.761 1.899 L162CD1-CB-HD1 26.730 41.752 0.924 L162CD1-CD1-HD1 26.730 26.733 0.924 L162CD1-CD2-HD1 26.730 25.043 0.927 L162CD2-CB-HD2 25.095 42.063 0.935 L162CD2-CD1-HD2 25.095 26.765 0.933 L162CD2-CD2-HD2 25.095 25.063 0.934 T165CB-CA-HB 67.801 63.454 4.092 I166CA-CA-HA 62.582 62.459 3.858 I166CA-CG1-HA 62.582 28.854 3.849 I166CB-CA-HB 37.914 62.496 1.750 I166CB-CB-HB 37.914 37.931 1.749 I166CB-CD1-HB 37.914 12.072 1.742 I166CB-CG1-HB 37.914 29.014 1.749 I166CB-CG2-HB 37.914 16.781 1.749 I166CD1-CD1-HD1 12.059 12.206 0.622 I166CD1-CG1-HD1 12.059 29.138 0.622 I166CG1-CB-HG12 29.054 37.861 1.391 I166CG1-CB-HG13 29.029 38.019 1.031 I166CG1-CD1-HG12 29.054 12.029 1.389 I166CG1-CD1-HG13 29.029 12.137 1.034 I166CG1-CG1-HG12 29.054 29.081 1.389 I166CG1-CG1-HG13 29.029 29.107 1.038 I166CG1-CG2-HG12 29.054 16.702 1.391 I166CG1-CG2-HG13 29.029 16.760 1.036 I166CG2-CB-HG2 16.783 37.903 0.688 I166CG2-CG2-HG2 16.783 16.812 0.690 L167CD1-CB-HD1 23.595 42.276 0.719 L167CD1-CD1-HD1 23.595 23.607 0.719 L167CD1-CD2-HD1 23.595 25.282 0.718 L167CD1-CG-HD1 23.595 26.627 0.715 L167CD2-CB-HD2 25.280 42.235 0.785 L167CD2-CD2-HD2 25.280 25.293 0.788 L167CG-CB-HG 26.580 42.276 1.450 L167CG-CD1-HG 26.580 23.689 1.455 L167CG-CD2-HG 26.580 25.055 1.446 L167CG-CG-HG 26.580 26.596 1.450 S168CA-CA-HA 60.574 60.547 4.232 S168CA-CB-HA 60.574 63.395 4.232 S168CB-CA-HB2 63.442 60.513 3.953 S168CB-CB-HB2 63.442 63.496 3.957 R169CA-CA-HA 55.457 55.445 4.584 R169CA-CB-HA 55.457 31.652 4.586 R169CA-CG-HA 55.457 27.460 4.581 R169CB-CB-HB2 31.661 31.721 2.133 R169CB-CB-HB3 31.634 31.628 1.722 R169CB-CD-HB2 31.661 43.042 2.126 R169CB-CD-HB3 31.634 43.166 1.729 R169CB-CG-HB2 31.661 27.499 2.126 R169CB-CG-HB3 31.634 27.615 1.722 R169CD-CA-HD2 43.060 55.461 3.072 R169CD-CB-HD2 43.060 31.505 3.066 R169CD-CD-HD2 43.060 43.050 3.066 R169CD-CG-HD2 43.060 27.484 3.063 R169CG-CB-HG2 27.591 31.681 1.698 R169CG-CD-HG2 27.591 43.127 1.696 R169CG-CG-HG2 27.591 27.561 1.693 C170CB-CA-HB2 30.714 57.696 2.598 C170CB-CB-HB2 30.714 30.683 2.598 L171CA-CA-HA 54.498 54.430 4.182 L171CA-CB-HA 54.498 41.786 4.184 L171CA-CD1-HA 54.498 24.255 4.172 L171CB-CA-HB2 41.736 54.414 1.088 L171CB-CA-HB3 41.697 54.461 0.682 L171CB-CB-HB2 41.736 41.818 1.094 L171CB-CB-HB3 41.697 41.613 0.688 L171CB-CD1-HB2 41.736 24.319 1.076 L171CB-CD1-HB3 41.697 24.240 0.698 L171CD1-CA-HD1 24.215 54.445 0.556 L171CD1-CB-HD1 24.215 41.818 0.548 L171CD1-CD1-HD1 24.215 24.161 0.550 L171CD1-CG-HD1 24.215 26.636 0.550 L171CD2-CA-HD2 26.459 54.477 0.847 L171CD2-CB-HD2 24.129 41.865 0.516 L171CD2-CD2-HD2 24.133 24.152 0.519 L171CD2-CG-HD2 24.129 26.685 0.518 L171CG-CB-HG 26.634 41.737 0.831 L171CG-CD1-HG 26.634 24.113 0.826 Q172CB-CB-HB2 30.901 30.824 1.851 Q172CB-CB-HB3 31.003 31.044 1.618 Q172CB-CG-HB2 30.901 34.017 1.852 Q172CB-CG-HB3 31.003 34.032 1.618 Q172CG-CB-HG2 34.005 30.794 2.103 Q172CG-CG-HG2 34.005 33.996 2.100 H174CA-CA-HA 55.197 55.113 5.268 H174CA-CB-HA 55.197 31.609 5.260 H174CB-CA-HB2 31.512 55.226 3.173 H174CB-CB-HB2 31.512 31.438 3.185 H174CB-CB-HB3 31.596 31.584 2.877 L175CD1-CB-HD1 26.108 42.935 1.069 L175CD1-CD1-HD1 26.108 26.296 1.073 L175CD1-CD2-HD1 26.108 26.101 1.071 L175CD1-CG-HD1 26.108 30.407 1.071 L175CD2-CD2-HD2 26.201 26.159 0.849 L175CD2-CG-HD2 26.201 30.488 0.849 L175CG-CD2-HG 30.429 26.216 1.786 L175CG-CG-HG 30.429 30.384 1.788 K176CB-CA-HB2 35.696 55.261 2.042 K176CB-CA-HB3 35.696 55.355 1.817 K176CB-CB-HB2 35.696 35.736 2.051 K176CB-CB-HB3 35.696 35.709 1.835 K176CB-CD-HB2 35.696 29.461 2.039 K176CB-CD-HB3 35.680 29.302 1.830 K176CB-CE-HB2 35.696 42.076 2.056 K176CB-CE-HB3 35.696 41.917 1.830 K176CB-CG-HB2 35.696 25.092 2.030 K176CB-CG-HB3 35.696 25.102 1.827 K176CD-CB-HD2 29.437 35.712 1.728 K176CD-CD-HD2 29.437 29.254 1.728 K176CD-CE-HD2 29.437 42.112 1.731 K176CD-CG-HD2 29.437 25.102 1.731 K176CE-CB-HE2 41.992 35.821 2.865 K176CE-CB-HE3 41.992 35.853 2.939 K176CE-CD-HE2 41.992 29.480 2.874 K176CE-CD-HE3 41.992 29.432 2.943 K176CE-CE-HE2 41.992 42.036 2.872 K176CE-CE-HE3 41.992 42.068 2.936 K176CE-CG-HE2 41.992 25.221 2.870 K176CE-CG-HE3 41.992 25.205 2.941 K176CG-CA-HG2 25.130 55.273 1.600 K176CG-CB-HG2 25.130 35.553 1.598 K176CG-CD-HG2 25.147 29.431 1.593 K176CG-CE-HG2 25.130 42.083 1.591 K176CG-CG-HG2 25.130 25.088 1.596 A177CB-CA-HB 19.163 52.528 1.457 A177CB-CB-HB 19.163 19.178 1.445 L178CD1-CB-HD1 26.427 42.924 0.919 L178CD1-CD1-HD1 26.429 26.483 0.920 L178CD1-CD2-HD2 26.427 22.915 0.907 L178CD2-CB-HD2 22.983 43.063 0.908 L178CD2-CD1-HD2 22.984 26.552 0.914 L178CD2-CD2-HD2 22.983 22.814 0.906 D179CB-CA-HB2 42.809 53.427 2.939 D179CB-CA-HB3 42.750 53.484 2.742 D179CB-CB-HB2 42.809 42.804 2.940 D179CB-CB-HB3 42.750 42.788 2.737 V180CA-CA-HA 66.644 66.605 3.548 V180CB-CB-HB 31.937 31.916 2.104 V180CB-CG1-HB 31.937 22.750 2.104 V180CB-CG2-HB 31.937 21.116 2.113 V180CG1-CB-HG1 22.701 31.831 1.045 V180CG1-CG1-HG1 22.660 22.667 1.044 V180CG1-CG2-HG1 22.660 20.987 1.045 V180CG2-CB-HG2 21.008 31.913 0.964 V180CG2-CG1-HG2 21.010 22.489 0.969 V180CG2-CG2-HG2 21.010 20.987 0.962 Q182CA-CA-HA 59.206 59.163 4.148 Q182CA-CB-HA 59.009 29.972 4.157 Q182CA-CG-HA 59.206 35.282 4.154 Q182CB-CA-HB2 30.153 58.986 1.909 Q182CB-CG-HB2 30.153 35.264 1.909 Q182CB-CG-HB3 29.967 35.201 2.452 Q182CG-CA-HG2 35.216 59.033 2.374 Q182CG-CA-HG3 35.240 59.063 2.613 Q182CG-CB-HG2 35.216 29.946 2.380 Q182CG-CB-HG3 35.240 30.085 2.608 Q182CG-CG-HG2 35.216 35.250 2.381 Q182CG-CG-HG3 35.240 35.239 2.611 I183CB-CG2-HB 37.850 17.838 1.863 I183CD1-CD1-HD1 12.422 12.316 0.633 I183CD1-CG1-HD1 12.422 30.179 0.640 I183CG2-CB-HG2 18.054 37.942 0.707 I183CG2-CG2-HG2 18.054 18.037 0.707 R184CA-CA-HA 60.797 60.893 3.491 H185CA-CA-HA 59.859 59.844 4.171 H185CA-CB-HA 59.859 29.940 4.174 H185CB-CB-HB2 29.933 29.919 3.200 H185CB-CB-HB3 29.933 29.899 3.289 L187CD1-CB-HD1 21.749 42.330 0.562 L187CD1-CD1-HD1 21.749 21.709 0.563 L187CD1-CD2-HD1 21.749 25.634 0.562 L187CD2-CB-HD2 25.513 42.227 0.686 L187CD2-CD1-HD2 25.513 21.658 0.681 L187CD2-CD2-HD2 25.513 25.497 0.681 L187CG-CD1-HG 26.283 21.761 1.765 E188CA-CA-HA 60.088 60.082 3.160 E188CA-CB-HA 60.088 29.643 3.162 E188CG-CB-HG2 36.482 29.869 1.986 E188CG-CG-HG2 36.482 36.496 1.991 H189CB-CB-HB2 29.953 29.923 2.921 I190CB-CD1-HB 38.065 15.413 1.258 I190CB-CG1-HB 38.065 28.226 1.286 I190CD1-CD1-HD1 15.206 15.121 0.006 I190CG2-CG1-HG2 14.588 28.508 0.371 I190CG2-CG2-HG2 14.588 14.603 0.371 L191CD1-CB-HD1 22.470 39.773 0.554 L191CD1-CD1-HD1 22.470 22.562 0.560 L191CD1-CD2-HD1 22.470 27.110 0.565 L191CD2-CB-HD2 26.971 39.810 0.450 L191CD2-CD1-HD2 26.971 22.441 0.447 L191CD2-CD2-HD2 26.971 26.989 0.442 N192CA-CA-HA 55.951 55.848 4.597 N192CA-CB-HA 55.951 37.683 4.609 N192CB-CA-HB2 37.590 55.983 2.752 N192CB-CA-HB2 37.479 55.876 3.022 N192CB-CB-HB2 37.798 37.852 2.746 N192CB-CB-HB3 37.479 37.602 3.037 H195CA-CA-HA 56.620 56.662 4.203 H195CB-CB-HB2 26.171 26.159 3.376 H195CB-CB-HB3 26.129 26.264 3.528 I196CA-CA-HA 60.096 60.193 4.297 I196CA-CG1-HA 60.096 27.488 4.300 I196CA-CG2-HA 60.096 17.038 4.300 I196CB-CA-HB 39.410 60.079 1.646 I196CB-CB-HB 39.410 39.415 1.642 I196CB-CG1-HB 39.410 27.419 1.636 I196CB-CG2-HB 39.410 17.008 1.639 I196CD1-CD1-HD1 13.157 13.060 0.817 I196CD1-CG1-HD1 13.157 27.802 0.817 I196CG1-CD1-HG12 27.462 13.092 1.138 I196CG1-CG1-HG12 27.462 27.466 1.151 I196CG2-CB-HG2 17.057 39.629 0.978 I196CG2-CG2-HG2 17.097 17.266 0.974 A197CA-CA-HA 52.807 52.742 4.305 A197CA-CB-HA 52.807 19.166 4.289 A197CB-CA-HB 19.262 52.791 1.399 A197CB-CB-HB 19.262 19.314 1.392 H198CA-CA-HA 54.356 54.397 5.244 H198CA-CB-HA 54.356 32.945 5.244 R201CB-CA-HB2 29.627 58.928 1.906 R201CB-CB-HB2 29.627 29.744 1.914 R201CB-CD-HB2 29.627 43.395 1.907 R201CB-CG-HB2 29.627 27.223 1.912 R201CD-CB-HD2 43.288 29.655 3.181 R201CD-CB-HD3 43.281 29.616 3.304 R201CD-CD-HD2 43.288 43.267 3.183 R201CD-CD-HD3 43.281 43.218 3.314 R201CD-CG-HD2 43.288 27.094 3.191 R201CD-CG-HD3 43.281 27.094 3.308 R201CG-CB-HG2 27.057 29.731 1.641 R201CG-CD-HG2 27.057 43.279 1.646 R201CG-CG-HG2 27.057 27.013 1.646 A202CA-CA-HA 55.302 55.318 3.858 A202CB-CA-HB 18.842 55.261 1.413 A202CB-CB-HB 18.842 18.825 1.398 L203CA-CA-HA 57.556 57.684 3.951 L203CA-CB-HA 57.556 41.313 3.941 L203CB-CB-HB2 41.259 41.170 2.027 L203CB-CD1-HB2 41.259 22.656 2.017 L203CB-CD2-HB2 41.259 25.300 2.020 L203CB-CG-HB2 41.259 27.193 2.017 L203CD1-CB-HD1 22.752 41.226 0.579 L203CD1-CD1-HD1 22.752 22.681 0.569 L203CD1-CD2-HD1 22.752 25.464 0.565 L203CD1-CG-HD1 22.752 27.112 0.565 L203CD2-CB-HD2 25.327 41.337 0.655 L203CD2-CD1-HD2 25.327 22.728 0.652 L203CD2-CD2-HD2 25.327 25.359 0.656 L203CD2-CG-HD2 25.327 27.276 0.655 Q204CA-CA-HA 59.404 59.562 3.837 Q204CA-CB-HA 59.404 28.214 3.839 Q204CB-CB-HB2 28.322 28.416 2.198 Q204CB-CG-HB2 28.322 34.209 2.201 Q204CG-CA-HG2 34.295 59.438 2.359 Q204CG-CB-HG2 34.295 28.416 2.361 Q204CG-CG-HG2 34.295 34.288 2.358 L205CD1-CB-HD1 22.209 42.398 0.833 L205CD1-CD1-HD1 22.209 22.248 0.830 L205CD1-CD2-HD1 22.209 25.799 0.830 L205CD2-CB-HD2 25.624 42.495 0.840 L205CD2-CD1-HD2 25.622 22.431 0.846 L205CD2-CD2-HD2 25.622 25.593 0.844 L206CD1-CB-HD1 25.809 42.976 0.769 L206CD1-CD1-HD1 25.809 25.981 0.776 L206CD1-CD2-HD1 25.809 24.221 0.788 L206CD2-CB-HD2 24.217 43.028 0.724 L206CD2-CD1-HD2 24.217 25.864 0.726 L206CD2-CD2-HD2 24.217 24.221 0.728 L206CG-CA-HG 29.297 57.990 1.247 L206CG-CB-HG 29.297 42.731 1.254 L206CG-CG-HG 29.297 29.373 1.252 A207CA-CA-HA 55.198 55.182 3.828 A207CB-CA-HB 19.094 55.310 1.449 A207CB-CB-HB 19.094 19.072 1.448 R208CA-CA-HA 59.015 59.032 4.021 R208CA-CB-HA 59.015 30.293 4.015 R208CB-CA-HB2 30.433 58.984 1.910 R208CB-CB-HB2 30.435 30.387 1.910 R208CB-CD-HB2 30.433 43.501 1.918 R208CB-CG-HB2 30.433 27.565 1.915 R208CD-CA-HD2 43.384 58.992 3.203 R208CD-CB-HD2 43.415 30.407 3.212 R208CD-CD-HD2 43.384 43.372 3.210 R208CD-CG-HD2 43.415 27.529 3.208 R208CG-CB-HG2 27.692 30.325 1.845 R208CG-CD-HG2 27.692 43.523 1.839 R208CG-CG-HG2 27.692 27.733 1.837 A209CA-CA-HA 53.993 53.977 4.223 A209CA-CB-HA 53.993 19.200 4.221 A209CB-CB-HB 19.228 19.062 1.478 A210CA-CA-HA 53.502 53.485 3.949 A210CB-CA-HB 18.985 53.537 1.656 A210CB-CB-HB 18.985 19.019 1.646 E211CA-CA-HA 57.088 57.246 3.962 E211CA-CB-HA 57.088 28.210 3.960 E211CB-CA-HB3 28.215 57.167 1.915 E211CB-CB-HB2 28.292 28.227 2.244 E211CB-CG-HB2 28.292 36.207 2.233 E211CB-CG-HB3 28.215 36.135 1.912 E211CG-CB-HG2 36.139 28.112 2.247 E211CG-CB-HG3 36.139 28.151 2.351 E211CG-CG-HG2 36.139 36.213 2.252 E211CG-CG-HG3 36.139 36.312 2.351 G212CA-CA-HA2 46.179 46.221 4.223 G212CA-CA-HA3 46.053 46.119 4.113 L214CD1-CB-HD1 23.337 41.554 0.818 L214CD1-CD1-HD1 23.337 23.369 0.814 L214CD1-CD2-HD1 23.337 26.599 0.812 L214CD2-CB-HD2 26.562 41.591 0.947 L214CD2-CD1-HD2 26.562 23.330 0.949 L214CD2-CD2-HD2 26.562 26.588 0.942 D216CA-CA-HA 57.333 57.377 4.531 D216CA-CB-HA 57.333 39.408 4.518 D216CB-CA-HB2 39.445 57.300 2.709 D216CB-CB-HB2 39.445 39.510 2.699 A217CA-CA-HA 55.547 55.533 3.929 A217CB-CB-HB 18.800 18.813 1.492 S219CA-CA-HA 62.106 62.111 4.419 S219CA-CB-HA 62.106 62.804 4.425 S219CB-CA-HB2 62.850 62.031 4.082 S219CB-CB-HB2 62.850 62.924 4.070 L220CD1-CB-HD1 22.793 42.999 0.816 L220CD1-CD1-HD1 22.793 22.729 0.816 L220CD1-CD2-HD1 22.793 25.742 0.813 L220CD1-CG-HD1 22.793 26.726 0.814 L220CD2-CB-HD2 25.674 43.173 0.742 L220CD2-CD1-HD2 25.674 22.825 0.737 L220CD2-CD2-HD2 25.674 25.759 0.732 L220CG-CD1-HG 26.814 22.705 1.851 L220CG-CD2-HG 26.814 25.588 1.847 L220CG-CG-HG 26.814 26.814 1.851 T221CA-CA-HA 68.592 68.711 3.674 T221CA-CB-HA 68.592 67.071 3.665 T221CB-CA-HB 67.032 68.511 4.279 D222CA-CA-HA 58.255 58.311 4.584 D222CA-CB-HA 58.255 40.925 4.584 D222CB-CA-HB2 40.993 58.311 2.960 D222CB-CB-HB2 40.993 41.071 2.960 Q223CA-CA-HA 59.014 59.012 3.996 Q223CA-CB-HA 59.019 28.386 3.997 Q223CA-CG-HA 59.014 34.227 3.994 Q223CB-CA-HB2 28.498 59.136 2.224 Q223CB-CB-HB2 28.498 28.460 2.223 Q223CB-CG-HB2 28.498 34.248 2.222 Q223CG-CB-HG2 34.276 28.469 2.487 Q223CG-CG-HG2 34.276 34.347 2.484 A224CA-CA-HA 55.470 55.461 4.100 A224CB-CB-HB 18.858 18.851 1.543 I225CD1-CD1-HD1 15.069 15.126 0.843 I225CD1-CG1-HD1 15.069 31.052 0.841 I225CG2-CB-HG2 17.503 38.427 0.748 I225CG2-CG2-HG2 17.503 17.565 0.761 A226CA-CA-HA 54.646 54.654 4.159 A226CA-CB-HA 54.646 18.554 4.164 A226CB-CA-HB 18.551 54.784 1.528 A226CB-CB-HB 18.551 18.524 1.528 S227CA-CA-HA 60.297 60.180 4.436 S227CA-CB-HA 60.297 63.864 4.443 S227CB-CA-HB2 63.871 60.269 4.022 S227CB-CB-HB2 63.871 63.920 4.026 G228CA-CA-HA2 45.267 45.455 4.017 G228CA-CA-HA2 45.417 45.415 4.410 G228CA-CA-HA3 45.401 45.458 4.019 D229CA-CA-HA 54.850 54.817 4.530 D229CA-CB-HA 54.850 40.100 4.526 D229CB-CA-HB2 40.157 54.760 2.959 D229CB-CA-HB3 40.098 54.825 2.715 G230CA-CA-HA2 45.564 45.544 4.437 G230CA-CA-HA3 45.781 45.641 3.551 Q231CB-CA-HB2 31.431 53.914 1.994 Q231CB-CB-HB2 31.431 31.422 1.996 Q231CB-CG-HB2 31.431 33.318 1.988 Q231CG-CA-HG2 33.293 53.994 2.270 Q231CG-CA-HG3 33.293 53.944 2.171 Q231CG-CB-HG2 33.304 31.362 2.260 Q231CG-CB-HG3 33.293 31.362 2.166 Q231CG-CG-HG2 33.304 33.468 2.262 Q231CG-CG-HG3 33.293 33.338 2.157 V232CA-CA-HA 61.932 62.015 4.042 V232CB-CB-HB 30.436 30.407 2.114 V232CB-CG2-HB 30.436 22.766 2.122 V232CG1-CA-HG1 22.773 62.015 0.737 V232CG1-CB-HG1 22.779 30.407 0.743 V232CG1-CG1-HG1 22.773 22.775 0.739 V232CG2-CA-HG2 22.773 62.091 0.792 V232CG2-CB-HG2 22.779 30.298 0.808 V232CG2-CG2-HG2 22.773 22.741 0.789 S233CB-CA-HB2 66.140 55.502 4.296 S233CB-CB-HB2 66.140 66.254 4.292 Q235CA-CA-HA 59.464 59.491 4.010 Q235CA-CG-HA 59.464 33.822 4.011 Q235CB-CG-HB2 28.121 33.581 1.993 Q235CG-CA-HG2 33.666 59.542 2.401 Q235CG-CB-HG2 33.666 28.221 2.403 Q235CG-CG-HG2 33.666 33.594 2.400 A236CA-CA-HA 54.944 54.970 4.160 A236CA-CB-HA 54.944 18.568 4.164 A236CB-CA-HB 18.565 54.728 1.511 A236CB-CB-HB 18.565 18.530 1.506 V237CA-CA-HA 66.799 66.832 3.670 V237CA-CA-HA 66.932 66.890 3.670 V237CB-CB-HB 31.819 31.842 2.085 V237CB-CG1-HB 31.819 22.719 2.095 V237CB-CG2-HB 31.819 24.666 2.096 V237CG1-CB-HG1 22.765 31.742 0.989 V237CG1-CG1-HG1 22.765 22.753 0.988 V237CG1-CG2-HG2 22.765 24.445 0.992 V237CG2-CB-HG2 24.514 31.786 1.070 V237CG2-CG1-HG2 24.514 22.665 1.070 V237CG2-CG2-HG2 24.514 24.622 1.073 S238CA-CA-HA 62.135 62.362 4.117 S238CB-CA-HB2 62.619 62.096 3.907 S238CB-CB-HB2 62.619 62.579 3.911 A239CA-CA-HA 54.427 54.442 4.204 A239CA-CB-HA 54.427 18.225 4.195 A239CB-CA-HB 18.383 54.489 1.509 A239CB-CB-HB 18.383 18.347 1.498 M240CA-CA-HA 57.856 57.907 4.223 M240CA-CB-HA 57.856 33.569 4.240 M240CA-CG-HA 57.856 31.422 4.235 M240CB-CA-HB2 33.835 57.937 2.240 M240CB-CB-HB2 33.835 33.819 2.236 M240CB-CG-HB2 33.835 31.402 2.232 M240CE-CE-HE 17.590 17.673 2.096 M240CG-CA-HG2 31.515 57.846 2.563 M240CG-CB-HG2 31.515 33.779 2.567 M240CG-CG-HG2 31.515 31.382 2.564 L241CA-CB-HA 55.720 42.360 4.331 L241CA-CD1-HA 55.720 26.660 4.337 L241CD1-CA-HD1 26.679 55.488 0.754 L241CD1-CB-HD1 26.679 42.331 0.754 L241CD1-CD1-HD1 26.679 26.763 0.753 L241CD1-CD2-HD1 26.679 22.412 0.755 L241CD2-CB-HD2 22.417 42.436 0.824 L241CD2-CD1-HD2 22.417 26.788 0.814 L241CD2-CD2-HD2 22.417 22.496 0.816 G242CA-CA-HA2 46.443 46.457 3.767 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 7 2 . . N 15 15N . . . . . . . . . . 50595 7 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_8 _Spectral_peak_list.Entry_ID 50595 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D HCCH-TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 27.508 0.939 1.562 ?-?-? 16.783 0.684 1.671 ?-?-? 119.950 177.526 8.072 M1CA-HA-HA 55.522 4.510 4.513 M1CA-HA-HB2 55.522 4.512 2.017 M1CA-HA-HB3 55.522 4.512 1.967 M1CA-HA-HG2 55.616 4.512 2.533 M1CB-HB2-HA 33.124 2.018 4.517 M1CB-HB2-HB2 33.124 2.011 2.017 M1CB-HB2-HB3 33.124 2.016 1.967 M1CB-HB2-HG2 33.124 2.012 2.532 M1CB-HB3-HA 33.124 1.968 4.516 M1CB-HB3-HB2 33.124 1.968 2.017 M1CB-HB3-HB3 33.124 1.964 1.964 M1CB-HB3-HG2 33.124 1.968 2.533 M1CE-HE-HE 17.075 2.081 2.078 M1CG-HG2-HA 32.039 2.532 4.517 M1CG-HG2-HB2 32.039 2.539 2.017 M1CG-HG2-HB3 32.039 2.538 1.970 M1CG-HG2-HG2 31.947 2.535 2.534 S2CA-HA-HA 58.104 4.404 4.417 S2CA-HA-HB2 58.099 4.405 3.768 S2CB-HB2-HA 63.853 3.760 4.406 S2CB-HB2-HB2 63.860 3.767 3.768 Y3CA-HA-HA 57.596 4.603 4.618 Y3CA-HA-HB2 57.596 4.613 2.900 Y3CA-HA-HB3 57.596 4.613 3.082 Y3CB-HB2-HA 39.001 2.894 4.620 Y3CB-HB2-HB2 39.001 2.897 2.894 Y3CB-HB2-HB3 39.001 2.900 3.089 Y3CB-HB3-HA 38.987 3.084 4.610 Y3CB-HB3-HB2 38.987 3.087 2.897 Y3CB-HB3-HB3 38.987 3.084 3.077 Q4CA-HA-HA 55.720 4.339 4.344 Q4CA-HA-HB2 55.727 4.337 1.904 Q4CB-HB2-HB2 30.067 1.904 1.894 Q4CB-HB2-HB3 30.067 1.904 2.028 Q4CB-HB2-HG2 30.067 1.908 2.299 Q4CB-HB3-HB3 30.116 2.039 2.022 Q4CB-HB3-HG2 30.116 2.025 2.292 Q4CG-HG2-HA 33.890 2.297 4.339 Q4CG-HG2-HB2 33.890 2.294 1.904 Q4CG-HG2-HB3 33.890 2.292 2.023 Q4CG-HG2-HG2 33.890 2.297 2.291 V5CG1-HG1-HB 21.865 0.955 2.218 V5CG1-HG1-HG1 21.865 0.951 0.944 V5CG2-HG2-HB 20.504 0.940 2.211 V5CG2-HG2-HG2 20.504 0.939 0.941 L6CD1-HD1-HD1 22.903 0.784 0.779 L6CD1-HD1-HD2 22.903 0.786 0.708 L6CD2-HD2-HD1 25.776 0.708 0.785 L6CD2-HD2-HD2 25.776 0.708 0.701 W10CA-HA-HA 58.357 4.289 4.288 R11CG-HG2-HD2 27.000 1.741 3.224 R11CG-HG2-HG2 27.000 1.743 1.737 T14CA-HA-HA 59.789 4.387 4.372 T14CA-HA-HB 59.789 4.384 4.445 T14CB-HB-HA 72.291 4.465 4.384 T14CB-HB-HB 72.291 4.458 4.455 T14CG2-HG2-HA 21.498 1.113 4.392 T14CG2-HG2-HB 21.498 1.122 4.457 T14CG2-HG2-HG2 21.498 1.122 1.122 F15CA-HA-HA 60.509 4.277 4.275 F15CA-HA-HB2 60.509 4.266 3.207 F15CB-HB2-HA 38.023 3.204 4.257 F15CB-HB2-HB2 38.023 3.213 3.202 A16CA-HA-HA 54.150 4.183 4.195 A16CA-HA-HB 54.150 4.200 1.378 A16CB-HB-HA 18.476 1.399 4.196 A16CB-HB-HB 18.499 1.395 1.387 D17CA-HA-HB2 54.870 4.628 3.126 D17CB-HB2-HA 43.351 3.141 4.627 D17CB-HB2-HB2 43.351 3.145 3.150 V18CA-HA-HA 63.265 3.801 3.791 V18CB-HB-HB 31.707 2.226 2.232 V18CG1-HG1-HB 22.528 0.901 2.241 V18CG1-HG1-HG1 22.528 0.898 0.903 V18CG2-HG2-HB 21.703 0.867 2.258 V18CG2-HG2-HG2 21.703 0.856 0.864 V19CB-HB-HB 32.315 1.929 1.930 V19CB-HB-HG1 32.315 1.914 0.900 V19CB-HB-HG2 32.315 1.916 0.942 V19CG1-HG1-HB 21.605 0.903 1.913 V19CG2-HG2-HB 21.567 0.940 1.910 V19CG2-HG2-HG2 21.567 0.947 0.939 E22CA-HA-HA 61.674 3.858 3.863 E22CB-HB2-HB2 28.992 2.090 2.085 E22CB-HB2-HG2 28.992 2.088 2.341 E22CG-HG2-HB2 36.412 2.348 2.083 V24CA-HA-HA 64.370 3.827 3.835 V24CB-HB-HB 32.850 1.987 1.962 V24CB-HB-HG1 32.850 1.996 0.726 V24CG1-HG1-HB 21.676 0.736 1.998 V24CG1-HG1-HG1 21.676 0.732 0.724 V24CG2-HG2-HB 20.814 0.705 1.995 V24CG2-HG2-HG1 20.814 0.713 0.731 V24CG2-HG2-HG2 20.814 0.704 0.694 L25CA-HA-HA 58.077 3.607 3.605 L25CA-HA-HB2 58.077 3.614 1.722 L25CB-HB2-HA 41.074 1.720 3.609 L25CB-HB2-HB2 41.074 1.733 1.725 L25CB-HB2-HD1 41.074 1.734 0.883 L25CB-HB2-HD2 41.074 1.724 0.560 L25CB-HB2-HG 41.074 1.728 1.434 L25CD1-HD1-HB2 25.941 0.886 1.733 L25CD1-HD1-HD1 25.941 0.889 0.886 L25CD1-HD1-HD2 25.941 0.886 0.565 L25CD1-HD1-HG 25.941 0.894 1.417 L25CD2-HD2-HB2 22.752 0.568 1.727 L25CD2-HD2-HD1 22.752 0.572 0.881 L25CD2-HD2-HD2 22.752 0.570 0.567 L25CD2-HD2-HG 22.752 0.572 1.424 T26CA-HA-HA 66.220 3.941 3.941 T26CA-HA-HB 66.291 3.938 4.198 T26CB-HB-HA 68.700 4.196 3.943 T26CB-HB-HB 68.700 4.187 4.208 T26CG2-HG2-HG2 21.718 1.287 1.277 A27CA-HA-HA 55.202 4.307 4.309 A27CA-HA-HB 55.202 4.311 1.725 A27CB-HB-HA 18.867 1.720 4.321 A27CB-HB-HB 18.867 1.724 1.722 L28CB-HB2-HB2 42.261 1.486 1.487 L28CB-HB2-HD2 42.261 1.489 0.532 L28CD1-HD1-HB2 23.902 0.518 1.491 L28CD1-HD1-HD1 23.902 0.527 0.523 L28CD1-HD1-HG 23.902 0.520 1.444 L28CD2-HD2-HG 25.796 0.542 1.449 L28CG-HG-HD2 25.965 1.447 0.526 A29CA-HA-HA 55.526 3.888 3.898 A29CA-HA-HB 55.526 3.895 1.429 A29CB-HB-HA 18.060 1.448 3.894 A29CB-HB-HB 18.087 1.448 1.442 N30CA-HA-HA 56.379 4.454 4.458 N30CA-HA-HB2 56.379 4.449 2.969 N30CA-HA-HB3 56.379 4.447 2.801 N30CB-HB2-HA 38.571 2.977 4.461 N30CB-HB2-HB2 38.571 2.978 2.967 N30CB-HB2-HB3 38.571 2.971 2.820 N30CB-HB3-HB2 38.515 2.807 2.978 N30CB-HB3-HB3 38.515 2.810 2.811 G31CA-HA2-HA3 48.035 4.062 3.918 G31CA-HA2-HA3 48.035 4.065 4.060 G31CA-HA3-HA2 47.935 3.912 4.076 G31CA-HA3-HA3 47.935 3.910 3.911 L32CD1-HD1-HD1 25.345 0.785 0.775 L32CD1-HD1-HD2 25.345 0.783 0.659 L32CD2-HD2-HD1 23.234 0.652 0.783 L32CD2-HD2-HD2 23.234 0.668 0.659 S33CA-HA-HA 61.455 4.298 4.301 S33CA-HA-HB2 61.455 4.295 4.010 S33CB-HB2-HA 63.242 4.013 4.303 S33CB-HB2-HB2 63.242 4.015 4.016 L34CA-HA-HA 55.078 4.434 4.443 L34CA-HA-HB2 55.078 4.447 1.792 L34CA-HA-HB3 55.078 4.441 1.659 L34CA-HA-HD1 55.078 4.440 0.904 L34CB-HB2-HA 42.869 1.788 4.451 L34CB-HB2-HB2 42.869 1.790 1.792 L34CB-HB2-HD1 42.869 1.789 0.900 L34CB-HB3-HA 42.852 1.666 4.440 L34CB-HB3-HB3 42.852 1.663 1.674 L34CB-HB3-HD1 42.852 1.656 0.904 L34CD1-HD1-HA 25.196 0.902 4.447 L34CD1-HD1-HB2 25.196 0.902 1.777 L34CD1-HD1-HD1 25.196 0.908 0.904 L34CD1-HD1-HG 25.196 0.897 1.942 L34CD2-HD2-HB2 22.779 0.898 1.787 L34CD2-HD2-HD2 22.779 0.902 0.906 L34CD2-HD2-HG 22.779 0.903 1.939 L34CG-HG-HD1 27.475 1.940 0.917 G35CA-HA2-HA2 46.263 4.152 4.155 G35CA-HA2-HA3 46.263 4.150 3.593 G35CA-HA3-HA2 46.370 3.590 4.165 G35CA-HA3-HA3 46.370 3.592 3.601 R36CA-HA-HA 54.900 4.542 4.538 R36CA-HA-HG2 54.900 4.557 1.536 R36CB-HB2-HB2 29.836 1.862 1.835 R36CB-HB2-HB3 29.836 1.858 1.665 R36CB-HB2-HD2 29.836 1.860 3.211 R36CB-HB3-HA 29.860 1.698 4.548 R36CB-HB3-HB3 29.860 1.690 1.702 R36CB-HB3-HD2 29.860 1.690 3.191 R36CD-HD2-HB2 43.509 3.197 1.847 R36CD-HD2-HB3 43.509 3.201 1.673 R36CD-HD2-HD2 43.509 3.211 3.201 R36CD-HD2-HG2 43.509 3.205 1.540 R36CG-HG2-HD2 26.912 1.522 3.205 R36CG-HG2-HG2 26.912 1.520 1.509 I37CB-HB-HA 38.579 1.910 4.308 I37CB-HB-HB 38.579 1.909 1.912 I37CB-HB-HD1 38.579 1.910 0.764 I37CB-HB-HG12 38.579 1.910 1.302 I37CB-HB-HG13 38.579 1.908 1.221 I37CD1-HD1-HD1 12.329 0.765 0.762 I37CD1-HD1-HG12 12.212 0.767 1.308 I37CG1-HG12-HB 26.533 1.306 1.913 I37CG1-HG12-HD1 26.533 1.286 0.764 I37CG1-HG13-HB 26.548 1.239 1.913 I37CG2-HG2-HB 17.652 0.911 1.911 I37CG2-HG2-HG12 17.652 0.901 1.314 I37CG2-HG2-HG2 17.652 0.906 0.901 H39CA-HA-HB2 57.808 4.676 3.200 H39CB-HB3-HB3 31.418 3.220 3.211 A40CA-HA-HA 51.439 5.798 5.822 A40CA-HA-HB 51.439 5.809 1.342 A40CB-HB-HA 22.683 1.343 5.818 A40CB-HB-HB 22.683 1.342 1.346 Y41CA-HA-HA 56.863 4.806 4.830 Y41CA-HA-HB2 56.863 4.804 2.910 Y41CB-HB2-HA 42.384 2.912 4.820 Y41CB-HB2-HB2 42.396 2.909 2.915 L42CD1-HD1-HD1 26.508 0.680 0.671 L42CD1-HD1-HD2 26.508 0.680 0.760 L42CD1-HD1-HG 26.508 0.684 1.378 L42CD2-HD2-HD1 25.305 0.764 0.670 L42CD2-HD2-HG 25.297 0.763 1.376 L42CG-HG-HD1 27.783 1.377 0.679 L42CG-HG-HD2 27.783 1.375 0.764 L42CG-HG-HG 27.783 1.377 1.381 F43CA-HA-HA 56.648 5.585 5.581 F43CB-HB2-HA 40.931 2.935 5.570 S44CA-HA-HB2 56.257 6.151 3.571 S44CB-HB2-HA 66.885 3.574 6.163 S44CB-HB2-HB2 66.885 3.572 3.573 G45CA-HA2-HA3 44.704 4.483 3.936 G45CA-HA3-HA2 44.690 3.941 4.515 G45CA-HA3-HA3 44.690 3.941 3.933 T46CA-HA-HA 62.697 4.286 4.287 T46CB-HB-HB 69.849 4.336 4.327 T46CG2-HG2-HB 21.572 1.431 4.334 T46CG2-HG2-HG2 21.572 1.442 1.442 T46CG2-HG2-HG2 21.924 1.431 1.436 G48CA-HA2-HA2 45.550 3.950 3.962 V49CA-HA-HA 62.600 4.593 4.604 V49CB-HB-HB 32.123 2.354 2.353 V49CB-HB-HG1 32.123 2.354 0.922 V49CB-HB-HG2 32.123 2.355 1.023 V49CG1-HG1-HB 21.582 0.920 2.359 V49CG1-HG1-HG1 21.582 0.920 0.912 V49CG1-HG1-HG2 21.582 0.916 1.023 V49CG2-HG2-HB 19.839 1.013 2.365 V49CG2-HG2-HG1 19.839 1.024 0.918 V49CG2-HG2-HG2 19.839 1.020 1.023 G50CA-HA2-HA2 45.481 3.820 3.835 G50CA-HA2-HA3 45.481 3.824 4.466 G50CA-HA3-HA2 45.437 4.460 3.826 G50CA-HA3-HA3 45.437 4.460 4.460 K51CA-HA-HA 61.358 3.607 3.609 T52CA-HA-HA 65.226 3.782 3.787 T52CA-HA-HB 65.226 3.782 4.237 T52CB-HB-HA 68.583 4.243 3.783 T52CB-HB-HB 68.583 4.244 4.229 T52CG2-HG2-HG2 22.635 1.144 1.146 S53CA-HA-HA 61.539 4.129 4.130 S53CB-HB2-HA 62.566 3.694 4.179 I54CA-HA-HA 64.643 3.460 3.460 I54CB-HB-HG13 36.194 1.462 1.545 I54CD1-HD1-HB 13.181 0.736 1.456 I54CD1-HD1-HD1 13.181 0.727 0.721 I54CD1-HD1-HG13 13.181 0.732 1.552 I54CG1-HG12-HB 30.011 1.036 1.460 I54CG1-HG12-HD1 30.011 1.005 0.725 I54CG1-HG13-HB 29.850 1.556 1.445 I54CG1-HG13-HD1 29.850 1.565 0.720 I54CG1-HG13-HG13 29.850 1.566 1.560 I54CG2-HG2-HB 17.878 0.353 1.449 I54CG2-HG2-HG13 17.881 0.371 1.553 I54CG2-HG2-HG2 17.878 0.357 0.356 A55CA-HA-HA 55.281 3.596 3.597 A55CA-HA-HB 55.281 3.599 1.232 A55CB-HB-HB 17.894 1.228 1.230 R56CA-HA-HA 60.597 3.542 3.546 L57CA-HA-HA 57.886 3.716 3.709 L57CD1-HD1-HD1 25.316 0.316 0.309 L57CD1-HD1-HD2 25.316 0.321 0.244 L57CD1-HD1-HG 25.316 0.305 1.519 L57CD2-HD2-HD1 23.168 0.244 0.306 L57CD2-HD2-HD2 23.168 0.245 0.243 L57CD2-HD2-HG 23.168 0.247 1.512 L57CG-HG-HD1 26.272 1.505 0.306 L57CG-HG-HD2 26.272 1.504 0.246 L57CG-HG-HG 26.272 1.508 1.502 L58CD1-HD1-HD1 24.000 0.823 0.831 L58CD1-HD1-HD2 24.000 0.818 0.354 L58CD1-HD1-HG 24.000 0.822 1.298 L58CD2-HD2-HD1 26.372 0.354 0.824 L58CD2-HD2-HD2 26.372 0.358 0.355 L58CD2-HD2-HG 26.372 0.356 1.309 L58CG-HG-HD1 27.383 1.312 0.822 L58CG-HG-HD2 27.383 1.308 0.355 A59CA-HA-HA 55.849 3.807 3.802 A59CA-HA-HB 55.849 3.813 1.476 A59CB-HB-HB 18.364 1.492 1.493 K60CA-HA-HA 59.243 4.002 4.002 K60CA-HA-HB2 59.243 4.006 1.700 K60CB-HB2-HA 34.137 1.700 3.985 K60CB-HB2-HB2 34.137 1.706 1.705 K60CD-HD2-HB2 29.707 1.577 1.703 K60CD-HD2-HD2 29.707 1.588 1.591 K60CD-HD2-HE2 29.707 1.591 2.880 K60CD-HD2-HE3 29.707 1.587 2.708 K60CD-HD2-HG2 29.707 1.581 1.227 K60CE-HE2-HE3 41.990 2.869 2.720 K60CE-HE3-HD2 41.993 2.705 1.585 K60CE-HE3-HE2 41.993 2.709 2.868 K60CE-HE3-HE3 41.993 2.712 2.712 K60CG-HG2-HB2 25.004 1.234 1.714 K60CG-HG2-HD2 25.002 1.230 1.590 G61CA-HA2-HA3 48.236 4.046 4.058 G61CA-HA2-HA3 48.236 4.040 3.890 G61CA-HA3-HA2 48.224 3.885 4.067 G61CA-HA3-HA3 48.224 3.884 3.899 L62CA-HA-HA 57.160 4.249 4.262 L62CB-HB2-HD2 42.410 1.912 0.670 L62CD1-HD1-HD1 25.448 0.464 0.467 L62CD1-HD1-HD2 25.448 0.468 0.664 L62CD2-HD2-HD1 23.487 0.679 0.476 L62CD2-HD2-HD2 23.487 0.681 0.660 N63CA-HA-HA 53.640 5.173 5.184 N63CA-HA-HB2 53.640 5.182 2.799 N63CB-HB2-HA 42.104 2.801 5.195 C64CA-HA-HA 62.474 4.179 4.178 C64CB-HB2-HB2 27.355 3.015 3.004 E65CB-HB2-HA 30.677 2.224 4.129 E65CB-HB2-HB2 30.677 2.236 2.209 E65CB-HB2-HG2 30.677 2.234 2.442 E65CB-HB2-HG3 30.677 2.236 2.729 E65CG-HG2-HB2 37.957 2.435 2.222 E65CG-HG2-HG2 37.957 2.436 2.434 E65CG-HG2-HG2 38.014 2.731 2.430 E65CG-HG2-HG3 37.957 2.434 2.727 E65CG-HG3-HB2 38.014 2.735 2.248 E65CG-HG3-HG3 38.014 2.728 2.725 T66CA-HA-HA 64.198 4.268 4.273 T66CA-HA-HB 64.198 4.270 4.381 T66CB-HB-HA 70.102 4.373 4.260 T66CB-HB-HB 70.102 4.374 4.364 T66CG2-HG2-HG2 21.924 1.458 1.446 G67CA-HA2-HA2 43.837 4.326 4.326 G67CA-HA2-HA3 43.837 4.312 3.639 G67CA-HA3-HA2 43.823 3.655 4.324 G67CA-HA3-HA3 43.823 3.644 3.639 I68CA-HA-HA 62.493 4.469 4.486 I68CD1-HD1-HD1 14.297 1.186 1.181 I68CG2-HG2-HB 18.743 0.966 1.746 I68CG2-HG2-HG2 18.743 0.966 0.965 T69CA-HA-HA 59.109 4.691 4.686 T69CA-HA-HB 59.109 4.683 3.887 A70CA-HA-HA 52.064 4.208 4.207 A70CA-HA-HB 52.050 4.203 1.418 A70CB-HB-HA 19.307 1.422 4.209 A70CB-HB-HB 19.307 1.419 1.411 T71CA-HA-HA 56.839 4.571 4.568 T71CA-HA-HB 56.839 4.568 4.192 T71CB-HB-HB 69.133 4.190 4.194 T71CG2-HG2-HB 20.927 1.060 4.191 T71CG2-HG2-HG2 20.927 1.043 1.042 C73CA-HA-HA 61.749 4.371 4.372 G74CA-HA2-HA2 47.082 4.347 4.361 G74CA-HA2-HA3 47.082 4.349 3.615 G74CA-HA3-HA2 47.065 3.630 4.341 G74CA-HA3-HA3 47.065 3.615 3.631 V75CA-HA-HA 61.744 4.537 4.538 V75CB-HB-HB 34.356 2.299 2.299 V75CB-HB-HG2 34.278 2.297 0.855 V75CG1-HG1-HB 19.068 0.830 2.292 V75CG1-HG1-HG1 19.068 0.833 0.837 V75CG2-HG2-HB 21.318 0.863 2.301 V75CG2-HG2-HG2 21.318 0.863 0.860 D77CA-HA-HA 58.397 4.236 4.233 D77CA-HA-HB2 58.397 4.227 2.728 D77CB-HB2-HA 40.098 2.732 4.225 D77CB-HB2-HB2 40.098 2.734 2.740 N78CA-HA-HA 56.541 3.799 3.799 N78CA-HA-HB2 56.541 3.784 2.934 N78CB-HB2-HA 36.967 2.938 3.804 C79CA-HA-HA 66.330 3.602 3.597 R80CA-HA-HA 59.617 3.827 3.830 R80CB-HB2-HA 30.237 1.712 3.841 R80CB-HB2-HB2 30.237 1.725 1.712 R80CB-HB2-HD2 30.237 1.717 3.150 R80CB-HB2-HG2 30.237 1.718 1.430 R80CD-HB2-HG2 43.253 3.158 1.430 R80CG-HG2-HB2 27.866 1.433 1.724 R80CG-HG2-HD2 27.866 1.428 3.157 E81CB-HB2-HB2 29.386 1.901 1.894 E81CB-HB2-HG2 29.388 1.898 2.138 E83CA-HA-HA 59.064 3.910 3.915 E83CA-HA-HG2 59.064 3.912 2.251 E83CB-HB2-HA 29.524 2.149 3.914 E83CB-HB2-HB2 29.524 2.160 2.155 E83CB-HB2-HG2 29.524 2.155 2.253 E83CG-HG2-HB2 35.562 2.266 2.145 E83CG-HG2-HG2 35.562 2.267 2.266 Q84CA-HA-HA 55.890 4.220 4.224 Q84CB-HB2-HG2 29.628 1.945 2.574 Q84CB-HB3-HB3 29.628 1.937 1.942 Q84CG-HG2-HB3 34.059 2.564 1.931 G85CA-HA2-HA2 46.664 4.044 4.028 R86CA-HA-HB2 54.489 4.731 1.908 R86CA-HA-HB3 54.489 4.742 1.643 R86CA-HA-HD2 54.489 4.734 3.207 R86CA-HA-HG2 54.489 4.730 1.506 R86CB-HB2-HB2 31.413 1.907 1.912 R86CB-HB2-HB3 31.413 1.908 1.643 R86CB-HB2-HD2 31.413 1.903 3.207 R86CB-HB2-HG2 31.413 1.900 1.506 R86CB-HB3-HB2 31.366 1.646 1.902 R86CB-HB3-HD2 31.366 1.638 3.210 R86CB-HB3-HG2 31.366 1.641 1.498 R86CD-HD2-HB2 43.589 3.202 1.904 R86CD-HD2-HB3 43.589 3.195 1.641 R86CD-HD2-HD2 43.589 3.212 3.223 R86CD-HD2-HG2 43.589 3.201 1.508 R86CG-HG2-HB2 26.978 1.516 1.897 R86CG-HG2-HB3 26.978 1.510 1.644 R86CG-HG2-HD2 26.978 1.486 3.205 F87CA-HA-HA 55.616 5.035 5.048 F87CB-HB2-HA 40.433 3.053 5.052 F87CB-HB2-HB2 40.433 3.062 3.048 V88CB-HB-HG1 31.424 2.006 0.751 V88CB-HB-HG2 31.424 2.007 0.708 V88CG1-HG1-HB 20.025 0.751 2.007 V88CG1-HG1-HG1 20.025 0.751 0.758 V88CG1-HG1-HG2 20.025 0.750 0.711 V88CG2-HG2-HB 19.834 0.718 2.006 V88CG2-HG2-HG1 19.834 0.719 0.751 V88CG2-HG2-HG2 19.834 0.716 0.709 D89CA-HA-HB2 54.137 4.708 3.305 D89CB-HB2-HB2 42.542 3.309 3.310 L90CD1-HD1-HD1 27.508 0.943 0.934 L90CD1-HD1-HD2 27.508 0.939 0.760 L90CD2-HD2-HD1 24.586 0.764 0.941 L90CD2-HD2-HD2 24.586 0.767 0.767 I91CB-HB-HB 38.065 1.313 1.303 I91CB-HB-HD1 38.065 1.305 0.459 I91CB-HB-HG12 38.065 1.303 1.074 I91CD1-HD1-HD1 13.623 0.462 0.458 I91CD1-HD1-HG12 13.640 0.455 1.085 I91CD1-HD1-HG13 13.640 0.462 0.938 I91CG1-HG12-HB 28.214 1.087 1.316 I91CG1-HG12-HD1 28.214 1.083 0.459 I91CG2-HG2-HB 18.994 0.848 1.320 I93CA-HA-HA 60.383 4.277 4.287 I93CB-HB-HA 41.881 1.887 4.294 I93CB-HB-HG12 41.881 1.866 1.155 I93CB-HB-HG2 41.881 1.870 0.866 I93CD1-HD1-HD1 14.082 0.983 0.986 I93CG2-HG2-HG2 17.218 0.875 0.866 D94CA-HA-HA 52.340 4.880 4.883 D94CA-HA-HB2 52.340 4.869 2.933 D94CA-HA-HB3 52.340 4.869 2.715 D94CB-HB2-HA 40.376 2.926 4.853 D94CB-HB2-HB2 40.376 2.934 2.942 D94CB-HB2-HB3 40.376 2.933 2.714 D94CB-HB3-HA 40.350 2.724 4.872 D94CB-HB3-HB3 40.350 2.721 2.736 A95CA-HA-HA 54.289 3.966 3.969 A95CA-HA-HB 54.289 3.969 1.251 A95CB-HB-HA 19.339 1.246 3.979 A95CB-HB-HB 19.339 1.249 1.246 A96CA-HA-HA 53.066 4.203 4.208 A96CA-HA-HB 53.066 4.203 1.469 S97CA-HA-HA 58.583 4.387 4.400 S97CA-HA-HB2 58.583 4.394 3.960 T99CA-HA-HA 58.233 3.829 3.828 T99CB-HA-HA 65.089 3.828 3.831 V101CA-HA-HA 64.469 3.945 3.954 V101CB-HB-HB 32.304 2.138 2.133 V101CB-HB-HG1 32.304 2.134 0.990 V101CG1-HG1-HB 21.241 1.002 2.131 V101CG1-HG1-HG1 21.244 0.997 0.986 V101CG2-HG2-HG2 21.280 1.035 1.034 E102CA-HA-HA 58.238 4.185 4.186 E102CA-HA-HB2 58.235 4.184 1.997 E102CA-HA-HG2 58.238 4.193 2.306 E102CB-HB2-HB2 29.485 2.003 2.017 E102CB-HB2-HG2 29.485 2.009 2.293 E102CG-HG2-HA 36.623 2.303 4.186 E102CG-HG2-HB2 36.623 2.305 2.010 E102CG-HG2-HG2 36.623 2.300 2.303 D103CA-HA-HA 55.677 4.583 4.589 D103CA-HA-HB2 55.677 4.582 2.733 D103CB-HB2-HA 41.218 2.729 4.580 D103CB-HB2-HB2 41.218 2.734 2.733 T104CA-HA-HA 64.539 4.044 4.047 T104CA-HA-HB 64.539 4.041 4.308 T104CB-HB-HA 69.007 4.308 4.046 T104CG2-HG2-HG2 22.193 1.179 1.181 R105CA-HA-HA 58.191 4.057 4.064 R105CB-HB2-HB2 30.142 1.855 1.845 R105CB-HB2-HD2 30.142 1.856 3.086 R105CD-HD2-HD2 43.332 3.089 3.086 R105CG-HG2-HA 26.875 1.600 4.057 R105CG-HG2-HB2 26.875 1.607 1.855 R105CG-HG2-HD2 26.875 1.601 3.090 R105CG-HG2-HG2 26.875 1.601 1.597 D106CA-HA-HA 56.109 4.493 4.502 D106CA-HA-HB2 56.109 4.493 2.732 D106CB-HB2-HA 41.058 2.732 4.496 D106CB-HB2-HB2 41.058 2.733 2.719 L107CB-HB2-HA 42.764 1.547 4.165 L107CB-HB2-HB2 42.764 1.545 1.541 L107CD1-HD1-HD1 23.913 0.898 0.905 L107CD1-HD1-HG 23.913 0.904 1.769 L107CD2-HD2-HD2 25.412 0.913 0.899 L107CD2-HD2-HG 25.412 0.904 1.772 L107CG-HG-HD2 27.134 1.775 0.904 L107CG-HG-HG 27.134 1.778 1.774 L108CD1-HD1-HD1 25.989 0.781 0.774 L108CD1-HD1-HD2 25.989 0.790 0.575 L108CD1-HD1-HG 25.989 0.787 1.587 L108CD2-HD2-HD1 22.752 0.593 0.779 L108CD2-HD2-HG 22.752 0.581 1.587 D109CA-HA-HA 56.126 4.569 4.590 D109CA-HA-HB2 56.126 4.575 2.727 D109CB-HB2-HA 41.113 2.733 4.561 D109CB-HB2-HB2 41.113 2.732 2.755 N110CA-HA-HA 53.304 4.893 4.887 N110CA-HA-HB2 53.304 4.885 2.816 N110CB-HB2-HA 38.745 2.802 4.884 N110CB-HB2-HB2 38.745 2.808 2.806 N110CB-HB3-HA 38.784 2.917 4.886 N110CB-HB3-HB3 38.784 2.903 2.896 V111CA-HA-HA 64.769 4.046 4.063 V111CG1-HG1-HB 21.123 0.942 2.187 V111CG1-HG1-HG1 21.123 0.938 0.938 V111CG1-HG1-HG2 21.123 0.934 1.012 V111CG2-HG2-HB 21.979 1.009 2.194 V111CG2-HG2-HG1 21.979 1.013 0.936 V111CG2-HG2-HG2 21.979 1.013 1.012 Y113CA-HA-HA 57.829 4.495 4.497 Y113CA-HA-HB2 57.829 4.494 3.150 Y113CB-HB2-HA 38.377 3.162 4.493 Y113CB-HB2-HB2 38.377 3.153 3.176 A116CA-HA-HA 53.943 4.192 4.195 A116CA-HA-HB 53.943 4.195 1.331 A116CB-HB-HA 20.313 1.328 4.203 A116CB-HB-HB 20.313 1.336 1.326 R117CA-HA-HA 57.150 4.441 4.442 R117CA-HA-HB2 57.150 4.446 1.789 R117CA-HA-HD3 57.150 4.433 3.244 R117CA-HA-HG2 57.150 4.447 1.677 R117CA-HA-HG3 57.150 4.447 1.555 R117CB-HB2-HA 34.421 1.806 4.444 R117CB-HB2-HD2 34.421 1.799 3.328 R117CB-HB2-HD3 34.421 1.803 3.261 R117CB-HB2-HG2 34.421 1.805 1.680 R117CB-HB2-HG3 34.421 1.803 1.549 R117CB-HB3-HA 34.441 1.535 4.450 R117CB-HB3-HB3 34.441 1.534 1.561 R117CB-HB3-HD2 34.441 1.529 3.316 R117CD-HD2-HA 43.085 3.326 4.440 R117CD-HD2-HD2 43.085 3.314 3.318 R117CD-HD2-HD3 43.085 3.310 3.265 R117CD-HD2-HG3 43.085 3.317 1.561 R117CD-HD2-HG3 43.085 3.309 1.671 R117CD-HD3-HA 43.120 3.262 4.446 R117CD-HD3-HD2 43.120 3.264 3.319 R117CD-HD3-HD3 43.120 3.269 3.263 R117CD-HD3-HG3 43.120 3.264 1.664 R117CD-HD3-HG3 43.120 3.260 1.561 R117CG-HG2-HD2 27.309 1.673 3.310 R117CG-HG2-HG2 27.309 1.673 1.666 R117CG-HG2-HG3 27.309 1.672 1.554 R117CG-HG3-HD2 27.289 1.562 3.322 R117CG-HG3-HD3 27.289 1.568 3.261 R117CG-HG3-HG3 27.289 1.585 1.562 G118CA-HA2-HA2 44.656 3.914 3.931 G118CA-HA3-HA3 44.298 3.620 3.635 F120CA-HA-HA 55.704 5.248 5.248 F120CA-HA-HB2 55.704 5.247 2.971 F120CB-HB2-HA 43.671 2.978 5.251 V122CB-HB-HA 34.228 2.011 4.884 V122CB-HB-HG1 34.228 2.010 0.763 V122CG1-HG1-HB 22.354 0.769 1.999 V122CG1-HG1-HG1 22.354 0.760 0.751 Y123CA-HA-HA 56.896 5.029 5.042 L124CA-HA-HA 53.723 5.822 5.835 L124CA-HA-HB2 53.723 5.826 1.927 L124CA-HA-HB3 53.723 5.816 1.251 L124CA-HA-HD1 53.723 5.825 0.784 L124CB-HB2-HA 44.704 1.923 5.840 L124CB-HB2-HD1 44.704 1.913 0.785 L124CB-HB3-HA 44.630 1.253 5.831 L124CB-HB3-HD1 44.630 1.262 0.782 L124CD1-HD1-HA 25.280 0.783 5.842 L124CD1-HD1-HB2 25.280 0.784 1.930 L124CD1-HD1-HB3 25.280 0.781 1.259 L124CD1-HD1-HD1 25.280 0.785 0.786 L124CD1-HD1-HG 25.280 0.786 1.676 L124CD2-HD2-HD2 23.779 0.780 0.781 L124CD2-HD2-HG 23.779 0.782 1.673 L124CG-HG-HD1 29.146 1.684 0.783 I125CA-HA-HA 60.447 5.121 5.134 I125CD1-HD1-HD1 13.615 0.961 0.954 I125CG2-HG2-HB 17.868 0.911 2.070 I125CG2-HG2-HG2 17.868 0.908 0.911 D126CA-HA-HB2 53.516 5.128 2.554 D126CA-HA-HB3 53.516 5.129 2.777 D126CB-HB2-HA 43.467 2.544 5.120 D126CB-HB3-HA 43.455 2.763 5.143 V128CA-HA-HA 64.221 3.579 3.590 V128CB-HB-HB 31.660 2.190 2.185 V128CB-HB-HG1 31.660 2.188 1.045 V128CG1-HG1-HB 20.277 1.067 2.188 V128CG1-HG1-HG1 20.277 1.068 1.061 V128CG1-HG1-HG2 20.277 1.071 1.113 V128CG2-HG2-HB 22.878 1.110 2.197 V128CG2-HG2-HG2 22.878 1.106 1.099 M130CE-HE-HE 16.695 2.130 2.134 L131CD1-HD1-HD1 26.509 0.661 0.665 L131CD1-HD1-HD2 26.509 0.657 0.802 L131CD2-HD2-HD1 23.083 0.803 0.670 L131CD2-HD2-HD2 23.084 0.805 0.806 S132CA-HA-HA 57.410 4.363 4.376 S132CB-HB2-HA 64.955 4.102 4.377 H134CA-HA-HA 59.949 4.364 4.366 H134CA-HA-HB2 59.949 4.363 3.177 H134CA-HA-HB3 59.949 4.363 3.084 H134CB-HB2-HA 30.733 3.185 4.373 H134CB-HB2-HB2 30.733 3.188 3.177 H134CB-HB2-HB3 30.733 3.181 3.078 H134CB-HB3-HA 30.716 3.085 4.367 H134CB-HB3-HB2 30.716 3.092 3.164 H134CB-HB3-HB3 30.716 3.088 3.091 S135CA-HA-HA 62.439 4.295 4.296 F136CA-HA-HA 61.537 4.148 4.152 F136CA-HA-HB2 61.537 4.137 3.099 F136CB-HB2-HA 38.469 3.087 4.140 F136CB-HB2-HB2 38.469 3.083 3.084 N137CA-HA-HA 56.410 4.382 4.393 N137CA-HA-HB2 56.410 4.378 2.898 N137CA-HA-HB3 56.410 4.381 2.780 N137CB-HB2-HB2 38.065 2.895 2.894 N137CB-HB2-HB3 38.065 2.897 2.785 N137CB-HB3-HA 38.024 2.783 4.388 N137CB-HB3-HB2 38.024 2.781 2.895 N137CB-HB3-HB3 38.024 2.785 2.779 A138CA-HA-HA 55.106 4.078 4.076 A138CB-HB-HB 18.485 1.439 1.441 L139CA-HA-HA 57.886 3.693 3.695 L139CD1-HD1-HD1 25.783 0.521 0.525 L139CD1-HD1-HD2 25.783 0.521 0.201 L139CD1-HD1-HG 25.783 0.521 1.109 L139CD2-HD2-HD1 23.213 0.207 0.518 L139CD2-HD2-HD2 23.213 0.208 0.199 L139CD2-HD2-HG 23.213 0.198 1.099 L139CG-HG-HD1 26.890 1.096 0.521 L139CG-HG-HD2 26.890 1.098 0.200 L140CB-HB2-HB2 41.477 1.698 1.702 L140CB-HB2-HB3 41.477 1.703 1.426 L140CB-HB3-HB2 41.396 1.428 1.690 L140CB-HB3-HB3 41.396 1.428 1.434 L140CD1-HD1-HG 23.634 0.743 1.446 L140CD2-HD2-HD1 25.038 0.779 0.735 L140CD2-HD2-HD2 25.038 0.778 0.779 L140CG-HG-HD1 27.023 1.450 0.739 L140CG-HG-HD2 27.023 1.450 0.779 L140CG-HG-HG 27.023 1.458 1.455 K141CD-HD2-HA 28.685 1.653 3.999 K141CD-HD2-HB2 28.685 1.652 1.859 K141CD-HD2-HD2 28.685 1.651 1.653 K141CD-HD2-HE2 28.685 1.645 2.951 K141CD-HD2-HG2 28.685 1.655 1.472 K141CE-HE2-HB2 42.191 2.952 1.856 K141CE-HE2-HD2 42.191 2.949 1.649 K141CE-HE2-HE2 42.191 2.946 2.952 K141CE-HE2-HG2 42.191 2.950 1.477 K141CG-HG2-HA 24.655 1.473 3.987 K141CG-HG2-HB2 24.655 1.479 1.859 K141CG-HG2-HD2 24.655 1.476 1.649 K141CG-HG2-HE2 24.655 1.478 2.954 K141CG-HG2-HG2 24.655 1.477 1.478 T142CA-HA-HB 66.291 3.951 4.077 T142CB-HB-HA 68.116 4.075 3.915 L143CD1-HD1-HD2 23.467 0.516 0.461 L143CD1-HD1-HD2 23.467 0.517 0.511 L143CD1-HD1-HG 23.467 0.516 1.480 L143CD2-HD2-HD1 25.770 0.464 0.664 L143CD2-HD2-HD2 25.770 0.465 0.461 L143CD2-HD2-HG 25.768 0.464 1.484 L143CG-HG-HD2 26.611 1.479 0.461 L143CG-HG-HD2 26.611 1.482 0.517 L143CG-HG-HG 26.611 1.481 1.471 E144CA-HA-HA 58.899 3.911 3.919 E144CA-HA-HB2 58.899 3.910 2.078 E144CA-HA-HG2 58.899 3.911 2.461 E144CB-HB2-HB2 30.243 2.093 2.085 E144CB-HB2-HB2 30.243 1.965 1.982 E144CB-HB2-HB3 30.243 2.087 1.980 E144CB-HB2-HG2 30.243 2.092 2.464 E144CB-HB3-HA 30.243 1.963 3.916 E144CB-HB3-HG2 30.243 1.962 2.458 E144CG-HG2-HB2 36.644 2.459 2.086 E144CG-HG2-HB3 36.644 2.452 1.960 E144CG-HG2-HG2 36.644 2.459 2.451 E144CG-HG3-HG2 36.755 2.087 2.456 E144CG-HG3-HG3 36.755 2.078 2.078 E145CA-HA-HA 53.733 4.539 4.538 E145CA-HA-HB2 53.733 4.533 1.985 E145CA-HA-HB3 53.733 4.538 1.818 E145CA-HA-HG2 53.733 4.534 2.133 E145CB-HB2-HB2 30.264 1.984 1.988 E145CB-HB2-HG2 30.264 1.985 2.131 E145CB-HB3-HA 30.235 1.810 4.529 E145CB-HB3-HB3 30.235 1.816 1.813 E145CB-HB3-HG2 30.235 1.815 2.138 E145CG-HG2-HA 36.449 2.134 4.535 E145CG-HG2-HB2 36.449 2.133 1.987 E145CG-HG2-HB3 36.449 2.131 1.815 E145CG-HG2-HG2 36.449 2.135 2.141 E148CA-HA-HA 59.206 4.153 4.159 E148CA-HA-HG2 59.206 4.153 2.347 E148CB-HB2-HA 30.159 2.125 4.155 E148CB-HB2-HB2 30.159 2.124 2.111 E148CB-HB2-HG2 30.159 2.114 2.351 E148CG-HG2-HA 36.513 2.342 4.159 E148CG-HG2-HG2 36.512 2.349 2.345 H149CA-HA-HA 56.847 5.106 5.120 V150CA-HA-HA 60.473 5.410 5.411 V150CB-HB-HB 34.465 1.696 1.694 V150CB-HB-HG1 34.465 1.694 0.747 V150CB-HB-HG2 34.465 1.696 0.657 V150CG1-HG1-HA 22.674 0.749 5.408 V150CG1-HG1-HB 22.674 0.766 1.698 V150CG1-HG1-HG1 22.674 0.757 0.747 V150CG1-HG1-HG2 22.674 0.757 0.655 V150CG2-HG2-HA 22.674 0.646 5.411 V150CG2-HG2-HB 22.674 0.664 1.690 V150CG2-HG2-HG2 22.674 0.662 0.654 F152CA-HA-HA 58.043 5.182 5.180 F152CB-HB2-HA 41.612 3.108 5.196 L153CA-HA-HA 53.539 5.279 5.293 L153CA-HA-HD1 53.539 5.287 0.946 L153CA-HA-HD2 53.539 5.294 0.865 L153CD1-HD1-HD1 25.481 0.948 0.936 L153CD2-HD2-HB2 28.033 0.856 1.679 L153CD2-HD2-HD1 28.033 0.850 0.947 L153CD2-HD2-HD2 28.033 0.850 0.857 L153CG-HG-HA 28.033 0.856 5.298 L154CA-HA-HA 53.149 5.292 5.300 L154CA-HA-HD1 53.149 5.304 0.871 L154CB-HB2-HA 44.648 1.421 5.308 L154CB-HB2-HD1 44.648 1.419 0.880 L154CD1-HD1-HD1 25.381 0.884 0.892 L154CD1-HD1-HD2 25.383 0.878 1.044 L154CD2-HD2-HA 25.060 1.053 5.303 L154CD2-HD2-HD1 25.060 1.056 0.884 L154CD2-HD2-HD2 25.060 1.054 1.049 A155CA-HA-HA 50.300 6.181 6.189 A155CA-HA-HB 50.300 6.181 1.541 A155CB-HB-HA 22.647 1.543 6.189 A155CB-HB-HB 22.647 1.548 1.548 T156CA-HA-HA 61.043 5.425 5.435 T157CA-HA-HA 61.625 5.026 5.038 T157CA-HA-HB 61.624 5.033 4.492 T157CB-HB-HA 71.198 4.490 5.039 T157CG2-HG2-HG2 22.149 1.564 1.561 D158CA-HA-HA 51.625 5.027 5.036 D158CA-HA-HB2 51.625 5.032 1.718 D158CA-HA-HB3 51.625 5.029 2.053 D158CB-HB3-HA 41.167 2.070 5.030 Q160CA-HA-HA 57.718 4.154 4.163 Q160CB-HB2-HB2 27.738 2.108 2.113 Q160CB-HB2-HG2 27.738 2.112 2.440 Q160CG-HG2-HB2 34.486 2.440 2.116 Q160CG-HG2-HG2 34.486 2.438 2.435 K161CA-HA-HA 56.269 4.212 4.216 K161CB-HB2-HA 33.182 2.109 4.229 K161CB-HB2-HB2 33.182 2.117 2.121 K161CB-HB2-HD2 33.182 2.110 1.721 K161CD-HD2-HD2 29.176 1.712 1.716 K161CD-HD2-HE2 29.176 1.710 3.014 K161CD-HD2-HG2 29.176 1.714 1.432 K161CD-HD3-HD2 28.928 1.561 1.713 K161CD-HD3-HD3 28.928 1.565 1.557 K161CD-HD3-HE2 28.928 1.560 3.015 K161CE-HE2-HB2 42.300 3.024 2.102 K161CE-HE2-HD2 42.300 3.026 1.720 K161CE-HE2-HE2 42.300 3.014 3.013 K161CE-HE2-HG2 42.300 3.014 1.437 K161CE-HE2-HG3 42.300 3.010 1.337 K161CG-HG2-HD2 25.995 1.430 1.716 K161CG-HG2-HE2 25.995 1.423 3.014 K161CG-HG2-HG2 25.995 1.428 1.440 K161CG-HG3-HD2 25.933 1.331 1.719 K161CG-HG3-HE2 25.933 1.333 3.015 L162CA-HA-HB2 52.410 4.438 1.893 L162CA-HA-HD1 52.410 4.433 0.920 L162CA-HA-HG 52.410 4.438 1.169 L162CB-HB2-HA 41.903 1.912 4.448 L162CB-HB2-HB2 41.903 1.898 1.900 L162CB-HB2-HD1 41.903 1.901 0.923 L162CB-HB2-HG 41.903 1.899 1.157 L162CD1-HD1-HB2 26.730 0.926 1.910 L162CD1-HD1-HD1 26.730 0.925 0.923 L162CD2-HD2-HD2 25.095 0.928 0.924 T165CB-HB-HA 67.801 4.085 3.915 I166CA-HA-HA 62.582 3.840 3.845 I166CA-HA-HB 62.582 3.842 1.743 I166CB-HB-HA 37.914 1.755 3.841 I166CB-HB-HB 37.914 1.749 1.746 I166CB-HB-HD1 37.914 1.747 0.625 I166CB-HB-HG12 37.914 1.740 1.384 I166CB-HB-HG13 37.914 1.732 1.036 I166CB-HB-HG2 37.914 1.739 0.687 I166CD1-HD1-HB 12.059 0.630 1.754 I166CD1-HD1-HD1 12.059 0.625 0.619 I166CD1-HD1-HG12 12.059 0.629 1.389 I166CD1-HD1-HG13 12.059 0.626 1.033 I166CG1-HG12-HB 29.054 1.390 1.737 I166CG1-HG12-HD1 29.054 1.385 0.622 I166CG1-HG12-HG12 29.054 1.372 1.385 I166CG1-HG12-HG13 29.051 1.383 1.031 I166CG1-HG12-HG2 29.054 1.382 0.686 I166CG1-HG13-HB 29.029 1.035 1.740 I166CG1-HG13-HD1 29.029 1.035 0.629 I166CG1-HG13-HG12 29.029 1.035 1.388 I166CG2-HG2-HB 16.783 0.684 1.735 I166CG2-HG2-HG12 16.783 0.685 1.381 I166CG2-HG2-HG13 16.783 0.684 1.035 I166CG2-HG2-HG2 16.783 0.693 0.693 L167CD1-HD1-HD1 23.595 0.723 0.722 L167CD1-HD1-HD2 23.595 0.728 0.779 L167CD1-HD1-HG 23.595 0.725 1.445 L167CD2-HD2-HD1 25.280 0.789 0.721 L167CD2-HD2-HD2 25.280 0.783 0.781 L167CG-HG-HD1 26.580 1.456 0.722 L167CG-HG-HD2 26.580 1.449 0.792 L167CG-HG-HG 26.580 1.456 1.445 S168CA-HA-HA 60.574 4.212 4.240 S168CA-HA-HB2 60.574 4.211 3.947 S168CB-HB2-HA 63.441 3.961 4.225 S168CB-HB2-HB2 63.441 3.955 3.966 R169CA-HA-HA 55.457 4.581 4.588 R169CA-HA-HD2 55.457 4.584 3.061 R169CB-HB2-HB2 31.661 2.136 2.130 R169CB-HB2-HD2 31.661 2.127 3.069 R169CB-HB3-HB3 31.634 1.723 1.719 R169CB-HB3-HD2 31.634 1.722 3.072 R169CD-HD2-HB3 43.060 3.063 1.717 R169CD-HD2-HD2 43.060 3.065 3.069 R169CG-HG2-HD2 27.591 1.692 3.061 R169CG-HG2-HG2 27.591 1.694 1.694 C170CA-HA-HB2 57.612 4.670 2.580 C170CB-HB2-HB2 30.714 2.602 2.600 L171CA-HA-HB2 54.498 4.182 1.074 L171CA-HA-HB3 54.498 4.184 0.684 L171CA-HA-HD1 54.498 4.182 0.531 L171CB-HB2-HA 41.736 1.088 4.170 L171CB-HB2-HD1 41.736 1.086 0.549 L171CB-HB3-HA 41.697 0.694 4.175 L171CB-HB3-HD1 41.697 0.679 0.547 L171CD1-HD1-HA 24.215 0.539 4.176 L171CD1-HD1-HB2 24.215 0.533 1.074 L171CD1-HD1-HD1 24.215 0.542 0.544 L171CD1-HD1-HG 24.215 0.535 0.830 L171CD2-HD2-HD2 24.129 0.523 0.513 L171CG-HG-HB2 26.634 0.832 1.071 L171CG-HG-HD1 26.634 0.840 0.539 L171CG-HG-HD2 26.634 0.837 0.513 Q172CB-HB2-HB2 30.901 1.859 1.865 Q172CB-HB2-HB3 30.901 1.864 1.633 Q172CB-HB2-HG2 30.901 1.854 2.106 Q172CB-HB3-HB2 31.003 1.619 1.860 Q172CB-HB3-HB3 31.003 1.627 1.623 Q172CB-HB3-HG2 31.003 1.618 2.100 Q172CG-HG2-HA 34.005 2.103 4.953 Q172CG-HG2-HB2 34.005 2.101 1.859 Q172CG-HG2-HB3 34.005 2.101 1.619 H174CA-HA-HA 55.197 5.271 5.277 H174CB-HB2-HA 31.512 3.170 5.280 H174CB-HB3-HA 31.596 2.871 5.274 H174CB-HB3-HB3 31.596 2.880 2.894 L175CD1-HD1-HD1 26.108 1.069 1.069 L175CD1-HD1-HD2 26.108 1.071 0.845 L175CD1-HD1-HG 26.108 1.069 1.784 L175CD2-HD2-HD1 26.201 0.848 1.069 L175CD2-HD2-HD2 26.201 0.845 0.843 L175CD2-HD2-HG 26.201 0.842 1.775 L175CG-HG-HD1 30.429 1.784 1.069 L175CG-HG-HD2 30.429 1.789 0.843 L175CG-HG-HG 30.429 1.785 1.754 K176CB-HB2-HA 35.694 2.040 4.582 K176CB-HB3-HA 35.696 1.849 4.577 K176CD-HD2-HB2 29.437 1.720 2.045 K176CD-HD2-HB3 29.437 1.733 1.818 K176CD-HD2-HD2 29.437 1.722 1.727 K176CD-HD2-HE2 29.437 1.720 2.874 K176CD-HD2-HE3 29.437 1.727 2.940 K176CD-HD2-HG2 29.437 1.720 1.580 K176CE-HE2-HB2 41.992 2.871 2.043 K176CE-HE2-HE2 41.992 2.942 2.948 K176CE-HE2-HE2 41.992 2.871 2.873 K176CE-HE2-HE3 41.992 2.871 2.953 K176CE-HE3-HB2 41.992 2.935 2.042 K176CE-HE3-HB3 41.992 2.935 1.837 K176CE-HE3-HE2 41.992 2.942 2.871 K176CG-HG2-HA 25.130 1.590 4.577 K176CG-HG2-HB2 25.130 1.591 2.059 K176CG-HG2-HE2 25.130 1.588 2.861 K176CG-HG2-HE3 25.130 1.580 2.941 K176CG-HG2-HG2 25.130 1.586 1.602 A177CB-HB-HB 19.163 1.443 1.439 L178CD1-HD1-HD1 26.429 0.927 0.921 L178CD2-HD2-HD2 22.983 0.902 0.905 D179CA-HA-HB2 53.347 4.707 2.939 D179CA-HA-HB3 53.347 4.705 2.737 D179CB-HB2-HB3 42.809 2.938 2.735 D179CB-HB3-HB2 42.750 2.731 2.948 D179CB-HB3-HB3 42.750 2.733 2.739 V180CA-HA-HA 66.644 3.547 3.543 V180CB-HB-HB 31.937 2.104 2.100 V180CB-HB-HG1 31.937 2.103 1.040 V180CB-HB-HG2 31.937 2.107 0.963 V180CG1-HG1-HB 22.660 1.043 2.102 V180CG1-HG1-HG1 22.660 1.040 1.039 V180CG1-HG1-HG2 22.660 1.040 0.964 V180CG2-HG2-HB 21.008 0.966 2.104 V180CG2-HG2-HG1 21.010 0.957 1.035 V180CG2-HG2-HG2 21.010 0.960 0.956 Q182CA-HA-HA 59.206 4.155 4.144 Q182CA-HA-HG2 59.206 4.153 2.386 Q182CB-HB2-HG2 30.153 1.909 2.385 Q182CG-HG2-HG2 35.209 2.381 2.362 Q182CG-HG3-HB2 35.240 2.619 1.904 Q182CG-HG3-HG2 35.240 2.616 2.381 I183CB-HB-HA 37.850 1.888 3.413 I183CD1-HD1-HD1 12.422 0.638 0.631 I183CG2-HG2-HB 18.054 0.713 1.870 I183CG2-HG2-HG2 18.054 0.708 0.701 R184CA-HA-HA 60.797 3.484 3.485 H185CA-HA-HA 59.859 4.171 4.180 H185CA-HA-HB2 59.859 4.160 3.196 H185CA-HA-HB3 59.859 4.159 3.296 H185CB-HB2-HB2 29.933 3.199 3.182 H185CB-HB2-HB3 29.933 3.205 3.313 L187CD1-HD1-HD1 21.749 0.566 0.557 L187CD1-HD1-HD2 21.749 0.563 0.679 L187CD1-HD1-HG 21.749 0.563 1.763 L187CD2-HD2-HD1 25.513 0.674 0.563 L187CD2-HD2-HD2 25.513 0.679 0.678 L187CD2-HD2-HG 25.513 0.672 1.773 L187CG-HG-HD2 26.283 1.783 0.677 L187CG-HG-HG 26.282 1.782 1.770 E188CA-HA-HA 60.088 3.165 3.167 I190CD1-HD1-HD1 15.206 0.002 -0.002 I190CG2-HG2-HG2 14.588 0.373 0.369 L191CD1-HD1-HD1 22.470 0.570 0.564 L191CD1-HD1-HD2 22.470 0.572 0.439 L191CD1-HD1-HG 22.470 0.569 1.715 L191CD2-HD2-HD1 26.971 0.437 0.560 L191CD2-HD2-HD2 26.971 0.442 0.441 L191CD2-HD2-HG 26.971 0.444 1.706 N192CA-HA-HA 55.951 4.595 4.594 N192CA-HA-HB2 55.951 4.600 2.740 N192CB-HB2-HB2 37.798 2.748 2.750 H195CA-HA-HA 56.620 4.204 4.211 H195CB-HB2-HB2 26.171 3.380 3.381 H195CB-HB2-HB3 26.171 3.366 3.519 H195CB-HB3-HB2 26.129 3.516 3.377 H195CB-HB3-HB3 26.129 3.514 3.525 I196CA-HA-HA 60.096 4.287 4.299 I196CB-HB-HB 39.412 1.644 1.638 I196CD1-HD1-HD1 13.157 0.819 0.814 I196CG2-HG2-HG2 17.097 0.986 0.981 A197CA-HA-HA 52.807 4.295 4.305 A197CA-HA-HB 52.807 4.305 1.400 A197CB-HB-HB 19.262 1.392 1.398 H198CA-HA-HA 54.356 5.242 5.244 R201CB-HB2-HB2 29.627 1.914 1.908 R201CB-HB2-HD2 29.627 1.924 3.195 R201CB-HB2-HD3 29.627 1.911 3.311 R201CB-HB2-HG2 29.627 1.911 1.646 R201CD-HD2-HB2 43.288 3.195 1.898 R201CD-HD2-HD2 43.288 3.188 3.187 R201CD-HD2-HD3 43.288 3.200 3.319 R201CD-HD2-HG2 43.288 3.192 1.664 R201CD-HD3-HB2 43.281 3.307 1.908 R201CD-HD3-HD2 43.281 3.307 3.182 R201CD-HD3-HD3 43.281 3.310 3.319 R201CD-HD3-HG2 43.281 3.314 1.664 R201CG-HG2-HB2 27.057 1.668 1.905 R201CG-HG2-HD2 27.057 1.646 3.198 R201CG-HG2-HD3 27.057 1.656 3.320 R201CG-HG2-HG2 27.057 1.651 1.648 A202CA-HA-HA 55.302 3.849 3.855 A202CA-HA-HB 55.302 3.852 1.401 A202CB-HB-HB 18.842 1.393 1.394 L203CA-HA-HA 57.556 3.957 3.966 L203CA-HA-HB2 57.556 3.950 2.016 L203CB-HB2-HA 41.259 2.006 3.938 L203CB-HB2-HD2 41.259 2.011 0.648 L203CD1-HD1-HG 22.752 0.581 1.789 L203CD2-HD2-HD1 25.327 0.654 0.567 L203CD2-HD2-HD2 25.327 0.653 0.652 L203CD2-HD2-HG 25.327 0.661 1.778 Q204CA-HA-HA 59.404 3.830 3.829 Q204CB-HB2-HG2 28.322 2.187 2.368 Q204CG-HG2-HB2 34.295 2.358 2.200 Q204CG-HG2-HG2 34.295 2.358 2.350 L205CD2-HD2-HD2 25.622 0.851 0.835 L206CD1-HD1-HB2 25.809 0.788 1.775 L206CD1-HD1-HD1 25.809 0.781 0.775 L206CD2-HD2-HB2 24.217 0.729 1.772 L206CD2-HD2-HD2 24.217 0.736 0.736 A207CA-HA-HA 55.198 3.825 3.827 A207CA-HA-HB 55.198 3.815 1.441 A207CB-HB-HA 19.094 1.445 3.831 A207CB-HB-HB 19.094 1.448 1.449 R208CA-HA-HA 59.015 4.015 4.015 R208CB-HB2-HA 30.433 1.914 4.019 R208CB-HB2-HB2 30.433 1.917 1.908 R208CB-HB2-HD2 30.433 1.921 3.214 R208CD-HD2-HD2 43.384 3.210 3.208 R208CG-HG2-HD2 27.692 1.836 3.208 R208CG-HG2-HG2 27.692 1.826 1.836 A209CA-HA-HA 53.993 4.220 4.232 A209CA-HA-HB 53.993 4.212 1.488 A209CB-HB-HA 19.228 1.474 4.229 A209CB-HB-HB 19.228 1.475 1.471 A210CA-HA-HA 53.500 3.946 3.943 A210CA-HA-HB 53.502 3.943 1.643 A210CB-HB-HA 18.985 1.646 3.948 A210CB-HB-HB 18.985 1.643 1.649 E211CA-HA-HA 57.088 3.963 3.964 E211CB-HB2-HG2 28.292 2.239 2.249 E211CB-HB2-HG3 28.292 2.239 2.356 E211CB-HB3-HB3 28.215 1.916 1.911 E211CB-HB3-HG2 28.215 1.916 2.251 E211CB-HB3-HG3 28.215 1.923 2.348 E211CG-HG2-HA 36.139 2.251 3.960 E211CG-HG2-HB3 36.139 2.251 1.917 E211CG-HG2-HG2 36.139 2.249 2.242 E211CG-HG2-HG3 36.139 2.251 2.347 E211CG-HG3-HA 36.123 2.362 3.956 E211CG-HG3-HB2 36.123 2.351 2.240 E211CG-HG3-HB3 36.123 2.355 1.917 E211CG-HG3-HG3 36.123 2.346 2.346 G212CA-HA2-HA2 46.179 4.209 4.194 G212CA-HA2-HA3 46.179 4.210 4.114 G212CA-HA3-HA2 46.053 4.101 4.199 G212CA-HA3-HA3 46.053 4.106 4.101 L214CD1-HD1-HD1 23.337 0.820 0.813 L214CD1-HD1-HD2 23.337 0.825 0.941 L214CD2-HD2-HD1 26.562 0.947 0.816 L214CD2-HD2-HD2 26.562 0.940 0.922 D216CA-HA-HA 57.333 4.518 4.524 D216CB-HB2-HA 39.445 2.708 4.521 D216CB-HB2-HB2 39.445 2.707 2.700 A217CA-HA-HA 55.547 3.926 3.936 A217CA-HA-HB 55.547 3.936 1.496 A217CB-HB-HA 18.800 1.487 3.938 A217CB-HB-HB 18.800 1.494 1.498 S219CA-HA-HA 62.106 4.411 4.419 S219CA-HA-HB2 62.106 4.425 4.085 S219CB-HB2-HA 62.850 4.075 4.443 S219CB-HB2-HB2 62.850 4.077 4.076 L220CD1-HD1-HG 22.793 0.806 1.845 L220CD2-HD2-HD1 25.674 0.736 0.813 L220CD2-HD2-HD2 25.674 0.738 0.725 L220CD2-HD2-HG 25.674 0.738 1.853 L220CG-HG-HD1 26.814 1.857 0.818 L220CG-HG-HD2 26.814 1.856 0.746 L220CG-HG-HG 26.814 1.849 1.849 T221CA-HA-HA 68.592 3.664 3.665 T221CA-HA-HB 68.592 3.659 4.267 D222CA-HA-HA 58.255 4.577 4.576 D222CB-HB2-HA 40.993 2.959 4.585 D222CB-HB2-HB2 40.993 2.970 2.946 Q223CA-HA-HA 59.014 3.991 3.994 Q223CB-HB2-HA 28.498 2.222 4.002 Q223CB-HB2-HB2 28.498 2.225 2.235 Q223CB-HB2-HG2 28.498 2.215 2.493 Q223CG-HG2-HB2 34.276 2.488 2.224 Q223CG-HG2-HG2 34.276 2.488 2.492 A224CA-HA-HA 55.470 4.102 4.084 A224CB-HB-HB 18.858 1.544 1.533 I225CD1-HD1-HD1 15.069 0.844 0.840 I225CG2-HG2-HB 17.503 0.765 1.914 I225CG2-HG2-HG2 17.503 0.763 0.762 A226CA-HA-HA 54.646 4.154 4.164 A226CA-HA-HB 54.646 4.154 1.522 A226CB-HB-HB 18.551 1.518 1.517 S227CA-HA-HB2 60.297 4.435 4.022 S227CB-HB2-HA 63.871 4.019 4.443 S227CB-HB2-HB2 63.871 4.024 4.021 G228CA-HA2-HA2 45.417 4.403 4.409 G228CA-HA2-HA3 45.417 4.400 4.027 G228CA-HA3-HA2 45.267 4.015 4.417 G228CA-HA3-HA2 45.401 4.016 4.411 G228CA-HA3-HA3 45.267 4.028 4.019 G228CA-HA3-HA3 45.401 4.011 4.012 D229CA-HA-HA 54.850 4.518 4.526 D229CA-HA-HB2 54.850 4.518 2.957 D229CA-HA-HB3 54.850 4.524 2.719 D229CB-HB2-HA 40.157 2.953 4.522 D229CB-HB2-HB2 40.157 2.965 2.960 D229CB-HB2-HB3 40.157 2.958 2.725 D229CB-HB3-HB2 40.098 2.708 2.949 D229CB-HB3-HB3 40.098 2.702 2.720 G230CA-HA2-HA2 45.564 4.437 4.437 G230CA-HA2-HA3 45.564 4.438 3.554 G230CA-HA3-HA2 45.781 3.545 4.432 G230CA-HA3-HA3 45.781 3.556 3.560 Q231CB-HB2-HB2 31.431 1.996 1.998 Q231CB-HB2-HG2 31.431 1.992 2.261 Q231CB-HB2-HG3 31.431 1.999 2.162 Q231CG-HG2-HB2 33.304 2.264 1.986 Q231CG-HG2-HG2 33.304 2.263 2.254 Q231CG-HG2-HG3 33.304 2.267 2.154 Q231CG-HG3-HB2 33.293 2.158 1.986 Q231CG-HG3-HG3 33.293 2.153 2.146 V232CA-HA-HA 61.932 4.042 4.048 V232CB-HB-HB 30.436 2.122 2.116 V232CB-HB-HG1 30.436 2.125 0.735 V232CB-HB-HG1 30.436 2.132 0.783 V232CG1-HG1-HB 22.779 0.741 2.105 V232CG1-HG1-HG1 22.779 0.750 0.776 V232CG2-HG2-HB 22.779 0.790 2.106 V232CG2-HG2-HG2 22.773 0.797 0.796 S233CA-HA-HB2 55.497 4.682 4.288 S233CB-HB2-HB2 66.140 4.288 4.295 Q235CA-HA-HA 59.464 4.008 4.012 Q235CA-HA-HG2 59.464 4.000 2.402 Q235CB-HB2-HA 28.121 1.990 3.999 Q235CB-HB2-HB2 28.121 1.998 1.996 Q235CB-HB2-HG2 28.121 1.990 2.400 Q235CG-HG2-HA 33.666 2.407 4.004 Q235CG-HG2-HB2 33.666 2.397 1.995 Q235CG-HG2-HG2 33.666 2.403 2.402 A236CA-HA-HA 54.944 4.160 4.163 A236CB-HB-HB 18.565 1.507 1.502 V237CA-HA-HA 66.799 3.673 3.681 V237CA-HA-HA 66.932 3.664 3.679 V237CB-HB-HB 31.926 2.190 2.187 V237CB-HB-HB 31.819 2.094 2.073 V237CG1-HG1-HG1 22.765 0.984 0.988 V237CG1-HG1-HG2 22.765 0.983 1.072 V237CG2-HG2-HB 24.514 1.073 2.084 V237CG2-HG2-HG1 24.514 1.082 0.986 V237CG2-HG2-HG2 24.514 1.065 1.067 S238CA-HA-HA 62.135 4.098 4.104 S238CB-HB2-HA 62.619 3.893 4.116 S238CB-HB2-HB2 62.619 3.891 3.911 A239CA-HA-HA 54.427 4.211 4.217 A239CA-HA-HB 54.427 4.203 1.490 A239CB-HB-HA 18.383 1.501 4.211 A239CB-HB-HB 18.383 1.501 1.495 M240CA-HA-HA 57.856 4.228 4.234 M240CA-HA-HB2 57.856 4.222 2.224 M240CA-HA-HG2 57.856 4.231 2.564 M240CB-HB2-HA 33.835 2.241 4.229 M240CB-HB2-HB2 33.835 2.239 2.254 M240CB-HB2-HG2 33.835 2.240 2.566 M240CE-HE-HE 17.590 2.093 2.093 M240CG-HG2-HA 31.515 2.566 4.229 M240CG-HG2-HB2 31.515 2.567 2.230 M240CG-HG2-HG2 31.515 2.566 2.560 L241CD1-HD1-HA 26.679 0.746 4.338 L241CD1-HD1-HD1 26.679 0.747 0.756 L241CD1-HD1-HD2 26.679 0.742 0.812 L241CD1-HD1-HG 26.679 0.753 1.861 L241CD2-HD2-HD2 22.417 0.814 0.814 L241CD2-HD2-HG 22.417 0.820 1.853 G242CA-HA2-HA2 46.599 3.760 3.761 G242CA-HA3-HA3 46.443 3.758 3.762 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . . . . . . . . . 50595 8 2 . . N 15 15N . . . . . . . . . . 50595 8 stop_ save_