data_nef_c19849_2mm9 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19850 PDB 2mm9 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 VAL middle . . 3 A 3 THR middle . . 4 A 4 LYS middle . . 5 A 5 GLU middle . . 6 A 6 GLN middle . . 7 A 7 VAL middle . . 8 A 8 GLU middle . . 9 A 9 ALA middle . . 10 A 10 SER middle . . 11 A 11 LEU middle . . 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 LYS middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 PRO middle . false 18 A 18 ILE middle . . 19 A 19 HIS middle . . 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 VAL middle . . 23 A 23 ILE middle . . 24 A 24 ASP middle . . 25 A 25 ILE middle . . 26 A 26 SER middle . . 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 CYS middle . . 30 A 30 GLY middle . false 31 A 31 SER middle . . 32 A 32 SER middle . . 33 A 33 PHE middle . . 34 A 34 GLU middle . . 35 A 35 VAL middle . . 36 A 36 GLU middle . . 37 A 37 VAL middle . . 38 A 38 VAL middle . . 39 A 39 SER middle . . 40 A 40 GLU middle . . 41 A 41 GLN middle . . 42 A 42 PHE middle . . 43 A 43 GLU middle . . 44 A 44 GLY middle . false 45 A 45 LYS middle . . 46 A 46 ARG middle . . 47 A 47 LEU middle . . 48 A 48 LEU middle . . 49 A 49 GLU middle . . 50 A 50 ARG middle . . 51 A 51 HIS middle . . 52 A 52 ARG middle . . 53 A 53 MET middle . . 54 A 54 VAL middle . . 55 A 55 ASN middle . . 56 A 56 ALA middle . . 57 A 57 ALA middle . . 58 A 58 LEU middle . . 59 A 59 GLU middle . . 60 A 60 GLU middle . . 61 A 61 GLU middle . . 62 A 62 MET middle . . 63 A 63 LYS middle . . 64 A 64 GLU middle . . 65 A 65 ILE middle . . 66 A 66 HIS middle . . 67 A 67 ALA middle . . 68 A 68 LEU middle . . 69 A 69 SER middle . . 70 A 70 ILE middle . . 71 A 71 LYS middle . . 72 A 72 LYS middle . . 73 A 73 ALA middle . . 74 A 74 GLN middle . . 75 A 75 THR middle . . 76 A 76 PRO middle . false 77 A 77 GLN middle . . 78 A 78 GLN middle . . 79 A 79 TRP middle . . 80 A 80 LYS middle . . 81 A 81 PRO middle . false 82 A 82 PRO middle . false 83 A 83 SER middle . . 84 A 84 GLN middle . . 85 A 85 ASP middle . . 86 A 86 SER middle . . 87 A 87 ALA middle . . 88 A 88 THR middle . . 89 A 89 LEU middle . . 90 A 90 THR middle . . 91 A 91 LYS middle . . 92 A 92 ASP middle . . 93 A 93 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.177 0.000 A 1 MET C C 13 173.409 0.000 A 1 MET CA C 13 51.836 0.004 A 2 VAL H H 1 8.729 0.028 A 2 VAL HA H 1 4.508 0.024 A 2 VAL HB H 1 1.898 0.001 A 2 VAL HGx% H 1 0.891 0.023 A 2 VAL HGy% H 1 0.770 0.023 A 2 VAL C C 13 174.797 0.000 A 2 VAL CA C 13 61.285 0.069 A 2 VAL CB C 13 33.821 0.000 A 2 VAL N N 15 120.462 0.072 A 3 THR H H 1 7.740 0.029 A 3 THR HA H 1 4.794 0.014 A 3 THR HB H 1 4.270 0.000 A 3 THR C C 13 175.419 0.064 A 3 THR CA C 13 59.466 0.145 A 3 THR N N 15 113.531 0.106 A 4 LYS H H 1 9.168 0.026 A 4 LYS HA H 1 3.437 0.014 A 4 LYS HBy H 1 2.017 0.011 A 4 LYS HBx H 1 1.836 0.004 A 4 LYS HE3 H 1 3.504 0.000 A 4 LYS HGx H 1 1.281 0.008 A 4 LYS HGy H 1 1.490 0.006 A 4 LYS C C 13 177.186 0.000 A 4 LYS CA C 13 59.716 0.084 A 4 LYS CB C 13 33.210 0.000 A 4 LYS N N 15 121.981 0.014 A 5 GLU H H 1 8.835 0.023 A 5 GLU HA H 1 4.052 0.021 A 5 GLU HBx H 1 1.882 0.017 A 5 GLU HBy H 1 2.036 0.004 A 5 GLU HG2 H 1 2.503 0.000 A 5 GLU C C 13 179.351 0.000 A 5 GLU CA C 13 60.508 0.070 A 5 GLU CB C 13 28.394 0.000 A 5 GLU N N 15 117.723 0.076 A 6 GLN H H 1 7.867 0.023 A 6 GLN HA H 1 4.009 0.023 A 6 GLN HB2 H 1 2.033 0.011 A 6 GLN HE21 H 1 6.934 0.007 A 6 GLN HE22 H 1 7.687 0.007 A 6 GLN HGy H 1 2.388 0.015 A 6 GLN HGx H 1 2.233 0.010 A 6 GLN C C 13 178.109 0.000 A 6 GLN CA C 13 58.878 0.087 A 6 GLN CB C 13 28.873 0.000 A 6 GLN N N 15 122.133 0.044 A 6 GLN NE2 N 15 111.949 0.044 A 7 VAL H H 1 7.447 0.027 A 7 VAL HA H 1 3.137 0.017 A 7 VAL HB H 1 1.654 0.000 A 7 VAL HGx% H 1 0.393 0.014 A 7 VAL HGy% H 1 0.054 0.009 A 7 VAL C C 13 177.807 0.000 A 7 VAL CA C 13 66.513 0.019 A 7 VAL CB C 13 31.241 0.000 A 7 VAL N N 15 120.130 0.070 A 8 GLU H H 1 8.529 0.028 A 8 GLU HA H 1 3.570 0.004 A 8 GLU HBx H 1 1.848 0.015 A 8 GLU HBy H 1 2.060 0.018 A 8 GLU C C 13 174.166 0.022 A 8 GLU CA C 13 59.699 0.023 A 8 GLU CB C 13 29.844 0.000 A 8 GLU N N 15 117.342 0.082 A 9 ALA H H 1 8.301 0.032 A 9 ALA HA H 1 4.420 0.017 A 9 ALA C C 13 177.996 0.000 A 9 ALA CA C 13 55.523 0.000 A 9 ALA N N 15 124.344 0.179 A 10 SER H H 1 8.303 0.014 A 10 SER HA H 1 4.374 0.022 A 10 SER HB3 H 1 3.799 0.016 A 10 SER C C 13 175.219 0.000 A 10 SER CA C 13 62.207 0.000 A 10 SER N N 15 117.198 0.858 A 11 LEU H H 1 7.973 0.021 A 11 LEU HA H 1 3.814 0.013 A 11 LEU HBx H 1 0.926 0.017 A 11 LEU HBy H 1 1.864 0.006 A 11 LEU HD2% H 1 0.791 0.026 A 11 LEU C C 13 179.247 0.000 A 11 LEU CA C 13 58.209 0.048 A 11 LEU CB C 13 42.528 0.000 A 11 LEU N N 15 118.287 0.040 A 12 THR H H 1 8.440 0.026 A 12 THR HA H 1 3.530 0.020 A 12 THR HB H 1 4.173 0.012 A 12 THR HG2% H 1 1.107 0.009 A 12 THR C C 13 176.464 0.000 A 12 THR CA C 13 67.016 0.083 A 12 THR CB C 13 68.586 0.000 A 12 THR N N 15 116.416 0.074 A 13 SER H H 1 8.022 0.027 A 13 SER HA H 1 4.105 0.021 A 13 SER HB3 H 1 3.937 0.013 A 13 SER C C 13 176.285 0.000 A 13 SER CA C 13 61.032 0.084 A 13 SER CB C 13 63.045 0.000 A 13 SER N N 15 115.144 0.090 A 14 LYS H H 1 7.466 0.026 A 14 LYS HA H 1 4.310 0.014 A 14 LYS HB2 H 1 1.798 0.019 A 14 LYS C C 13 178.041 0.000 A 14 LYS CA C 13 57.842 0.027 A 14 LYS CB C 13 33.857 0.000 A 14 LYS N N 15 116.028 0.081 A 15 LEU H H 1 7.842 0.022 A 15 LEU HA H 1 4.419 0.017 A 15 LEU HBx H 1 1.004 0.018 A 15 LEU HBy H 1 1.624 0.013 A 15 LEU HD2% H 1 0.652 0.002 A 15 LEU CA C 13 53.924 0.094 A 15 LEU CB C 13 42.360 0.000 A 15 LEU N N 15 114.405 0.036 A 16 LYS H H 1 7.421 0.023 A 16 LYS HA H 1 4.120 0.023 A 16 LYS HB2 H 1 1.755 0.019 A 16 LYS HG2 H 1 1.286 0.021 A 16 LYS CA C 13 56.297 0.000 A 16 LYS N N 15 116.513 0.062 A 17 PRO C C 13 177.159 0.000 A 17 PRO CA C 13 62.895 0.035 A 17 PRO CB C 13 33.307 0.000 A 18 ILE H H 1 7.917 0.020 A 18 ILE HA H 1 4.294 0.000 A 18 ILE HB H 1 1.753 0.006 A 18 ILE HD1% H 1 1.029 0.020 A 18 ILE HG1x H 1 0.868 0.000 A 18 ILE HG1y H 1 1.253 0.008 A 18 ILE C C 13 175.085 0.000 A 18 ILE CA C 13 61.027 0.033 A 18 ILE CB C 13 39.016 0.000 A 18 ILE N N 15 116.671 0.110 A 19 HIS H H 1 6.968 0.027 A 19 HIS HA H 1 4.442 0.018 A 19 HIS HB3 H 1 2.122 0.019 A 19 HIS HD2 H 1 6.260 0.001 A 19 HIS HE1 H 1 8.340 0.010 A 19 HIS C C 13 171.727 0.000 A 19 HIS CA C 13 56.374 0.015 A 19 HIS CB C 13 32.559 0.000 A 19 HIS N N 15 117.574 0.318 A 20 LEU H H 1 7.928 0.134 A 20 LEU HA H 1 4.806 0.020 A 20 LEU HB3 H 1 1.480 0.024 A 20 LEU C C 13 173.636 0.000 A 20 LEU CA C 13 53.424 0.010 A 20 LEU CB C 13 45.564 0.000 A 20 LEU N N 15 128.803 0.264 A 21 GLU H H 1 8.703 0.026 A 21 GLU HA H 1 4.510 0.027 A 21 GLU HBx H 1 1.902 0.000 A 21 GLU HBy H 1 2.024 0.000 A 21 GLU HGy H 1 1.835 0.012 A 21 GLU HGx H 1 1.670 0.014 A 21 GLU C C 13 174.143 0.000 A 21 GLU CA C 13 55.709 0.071 A 21 GLU CB C 13 33.593 0.000 A 21 GLU N N 15 125.639 0.142 A 22 VAL H H 1 8.936 0.011 A 22 VAL HA H 1 4.617 0.012 A 22 VAL HB H 1 1.960 0.000 A 22 VAL HG2% H 1 0.684 0.007 A 22 VAL C C 13 173.843 0.000 A 22 VAL CA C 13 61.359 0.093 A 22 VAL CB C 13 33.671 0.000 A 22 VAL N N 15 126.675 0.160 A 23 ILE H H 1 9.099 0.021 A 23 ILE HA H 1 4.473 0.020 A 23 ILE HB H 1 1.850 0.006 A 23 ILE HD1% H 1 1.123 0.000 A 23 ILE HG12 H 1 0.814 0.010 A 23 ILE HG2% H 1 1.418 0.010 A 23 ILE C C 13 175.007 0.000 A 23 ILE CA C 13 59.446 0.020 A 23 ILE CB C 13 41.237 0.000 A 23 ILE N N 15 126.078 0.028 A 24 ASP H H 1 9.152 0.023 A 24 ASP HA H 1 4.610 0.017 A 24 ASP HBy H 1 3.037 0.000 A 24 ASP HBx H 1 2.361 0.000 A 24 ASP C C 13 176.888 0.000 A 24 ASP CA C 13 53.864 0.068 A 24 ASP CB C 13 41.032 0.000 A 24 ASP N N 15 127.026 0.129 A 25 ILE H H 1 7.915 0.019 A 25 ILE HA H 1 4.592 0.004 A 25 ILE HB H 1 2.066 0.000 A 25 ILE HD1% H 1 0.515 0.001 A 25 ILE HG12 H 1 1.287 0.003 A 25 ILE C C 13 175.765 0.016 A 25 ILE CA C 13 61.112 0.082 A 25 ILE CB C 13 36.913 0.000 A 25 ILE N N 15 123.148 0.033 A 26 SER H H 1 9.175 0.032 A 26 SER HA H 1 4.520 0.001 A 26 SER HBx H 1 3.571 0.017 A 26 SER HBy H 1 4.067 0.016 A 26 SER C C 13 175.488 0.000 A 26 SER CA C 13 58.030 0.071 A 26 SER CB C 13 64.605 0.000 A 26 SER N N 15 119.373 0.041 A 27 GLY H H 1 8.417 0.025 A 27 GLY HA3 H 1 3.868 0.020 A 27 GLY C C 13 175.418 0.000 A 27 GLY CA C 13 46.435 0.068 A 27 GLY N N 15 111.902 0.048 A 28 GLY H H 1 7.864 0.016 A 28 GLY HAx H 1 3.637 0.014 A 28 GLY HAy H 1 4.211 0.015 A 28 GLY C C 13 177.627 0.000 A 28 GLY CA C 13 45.628 0.093 A 28 GLY N N 15 106.936 0.055 A 29 CYS H H 1 7.380 0.017 A 29 CYS HA H 1 4.363 0.001 A 29 CYS HBy H 1 2.894 0.001 A 29 CYS HBx H 1 2.825 0.000 A 29 CYS CA C 13 59.440 0.101 A 29 CYS CB C 13 27.858 0.000 A 29 CYS N N 15 116.829 0.031 A 30 GLY H H 1 8.965 0.046 A 30 GLY HAy H 1 4.080 0.005 A 30 GLY HAx H 1 3.548 0.003 A 30 GLY C C 13 173.383 0.000 A 30 GLY CA C 13 46.086 0.065 A 30 GLY N N 15 111.626 0.087 A 31 SER H H 1 8.220 0.020 A 31 SER HA H 1 4.639 0.014 A 31 SER HBx H 1 3.632 0.012 A 31 SER HBy H 1 3.742 0.019 A 31 SER C C 13 174.246 0.000 A 31 SER CA C 13 58.203 0.115 A 31 SER CB C 13 64.459 0.000 A 31 SER N N 15 111.735 0.052 A 32 SER H H 1 7.253 0.023 A 32 SER HA H 1 5.346 0.012 A 32 SER HBx H 1 3.393 0.016 A 32 SER HBy H 1 3.500 0.000 A 32 SER C C 13 176.363 0.000 A 32 SER CA C 13 57.400 0.096 A 32 SER CB C 13 62.866 0.000 A 32 SER N N 15 116.259 0.056 A 33 PHE H H 1 7.995 0.039 A 33 PHE HA H 1 5.656 0.016 A 33 PHE HBy H 1 2.793 0.005 A 33 PHE HBx H 1 2.365 0.011 A 33 PHE HDx H 1 6.790 0.023 A 33 PHE HDy H 1 6.790 0.023 A 33 PHE HEx H 1 6.900 0.020 A 33 PHE HEy H 1 6.900 0.020 A 33 PHE HZ H 1 7.043 0.007 A 33 PHE C C 13 174.163 0.000 A 33 PHE CA C 13 56.382 0.028 A 33 PHE CB C 13 44.450 0.000 A 33 PHE N N 15 118.533 0.112 A 34 GLU H H 1 9.436 0.026 A 34 GLU HA H 1 5.560 0.019 A 34 GLU HB3 H 1 1.932 0.016 A 34 GLU HG2 H 1 2.076 0.004 A 34 GLU C C 13 175.902 0.000 A 34 GLU CA C 13 54.376 0.025 A 34 GLU CB C 13 33.543 0.000 A 34 GLU N N 15 122.301 0.082 A 35 VAL H H 1 8.784 0.026 A 35 VAL HA H 1 5.369 0.018 A 35 VAL HB H 1 1.778 0.010 A 35 VAL HG2% H 1 0.710 0.016 A 35 VAL C C 13 174.616 0.000 A 35 VAL CA C 13 59.364 0.046 A 35 VAL CB C 13 36.178 0.000 A 35 VAL N N 15 118.350 0.021 A 36 GLU H H 1 8.859 0.026 A 36 GLU HA H 1 4.969 0.021 A 36 GLU HB3 H 1 1.934 0.016 A 36 GLU HG2 H 1 2.356 0.022 A 36 GLU C C 13 174.745 0.000 A 36 GLU CA C 13 55.191 0.079 A 36 GLU CB C 13 33.086 0.000 A 36 GLU N N 15 123.537 0.048 A 37 VAL H H 1 8.497 0.024 A 37 VAL HA H 1 4.612 0.017 A 37 VAL HB H 1 1.933 0.017 A 37 VAL HGx% H 1 0.915 0.016 A 37 VAL HGy% H 1 0.796 0.023 A 37 VAL C C 13 172.679 0.000 A 37 VAL CA C 13 60.290 0.065 A 37 VAL CB C 13 35.021 0.000 A 37 VAL N N 15 120.272 0.173 A 38 VAL H H 1 8.169 0.016 A 38 VAL HA H 1 5.257 0.001 A 38 VAL HB H 1 1.375 0.000 A 38 VAL HGx% H 1 0.054 0.021 A 38 VAL HGy% H 1 0.430 0.018 A 38 VAL C C 13 175.842 0.000 A 38 VAL CA C 13 59.474 0.077 A 38 VAL CB C 13 33.115 0.000 A 38 VAL N N 15 127.971 0.033 A 39 SER H H 1 8.304 0.054 A 39 SER HA H 1 4.821 0.013 A 39 SER HB3 H 1 4.532 0.022 A 39 SER C C 13 175.323 0.000 A 39 SER CA C 13 55.888 0.074 A 39 SER CB C 13 64.183 0.000 A 39 SER N N 15 117.426 0.105 A 40 GLU H H 1 9.911 0.030 A 40 GLU HA H 1 4.119 0.012 A 40 GLU HB3 H 1 2.085 0.000 A 40 GLU HGy H 1 2.363 0.003 A 40 GLU HGx H 1 2.246 0.019 A 40 GLU C C 13 177.887 0.000 A 40 GLU CA C 13 58.681 0.091 A 40 GLU CB C 13 29.630 0.000 A 40 GLU N N 15 131.571 0.052 A 41 GLN H H 1 8.219 0.025 A 41 GLN HA H 1 3.984 0.008 A 41 GLN HE21 H 1 7.283 0.008 A 41 GLN HE22 H 1 6.655 0.009 A 41 GLN C C 13 176.391 0.000 A 41 GLN CA C 13 57.443 0.019 A 41 GLN CB C 13 27.903 0.000 A 41 GLN N N 15 117.534 0.058 A 41 GLN NE2 N 15 109.331 0.029 A 42 PHE H H 1 6.894 0.025 A 42 PHE HA H 1 4.526 0.014 A 42 PHE HB2 H 1 2.968 0.013 A 42 PHE HDx H 1 7.190 0.017 A 42 PHE HDy H 1 7.190 0.017 A 42 PHE HEx H 1 7.247 0.018 A 42 PHE HEy H 1 7.247 0.018 A 42 PHE HZ H 1 6.781 0.013 A 42 PHE C C 13 175.064 0.000 A 42 PHE CA C 13 54.139 0.083 A 42 PHE CB C 13 37.636 0.000 A 42 PHE N N 15 113.224 0.033 A 43 GLU H H 1 7.469 0.027 A 43 GLU HA H 1 3.967 0.003 A 43 GLU HB3 H 1 1.985 0.000 A 43 GLU CA C 13 58.361 0.057 A 43 GLU CB C 13 29.234 0.000 A 43 GLU N N 15 121.136 0.120 A 44 GLY H H 1 9.014 0.023 A 44 GLY HAx H 1 3.691 0.006 A 44 GLY HAy H 1 4.138 0.014 A 44 GLY C C 13 174.101 0.000 A 44 GLY CA C 13 45.625 0.070 A 44 GLY N N 15 114.819 0.051 A 45 LYS H H 1 7.932 0.024 A 45 LYS HA H 1 4.689 0.000 A 45 LYS HBy H 1 1.909 0.014 A 45 LYS HBx H 1 1.567 0.006 A 45 LYS HGy H 1 1.458 0.016 A 45 LYS HGx H 1 1.311 0.018 A 45 LYS HZ1 H 1 7.065 0.000 A 45 LYS HZ2 H 1 7.065 0.000 A 45 LYS HZ3 H 1 7.065 0.000 A 45 LYS C C 13 177.858 0.000 A 45 LYS CA C 13 53.561 0.007 A 45 LYS CB C 13 33.441 0.000 A 45 LYS N N 15 118.678 0.034 A 46 ARG H H 1 9.288 0.027 A 46 ARG HA H 1 4.293 0.001 A 46 ARG HBx H 1 1.753 0.002 A 46 ARG HBy H 1 2.076 0.000 A 46 ARG CA C 13 55.779 0.000 A 46 ARG N N 15 125.430 0.031 A 47 LEU H H 1 8.320 0.005 A 47 LEU HA H 1 3.702 0.002 A 47 LEU HBx H 1 1.018 0.014 A 47 LEU HBy H 1 1.443 0.019 A 47 LEU C C 13 178.476 0.000 A 47 LEU CA C 13 60.689 0.000 A 47 LEU N N 15 124.205 0.043 A 48 LEU H H 1 8.587 0.016 A 48 LEU HA H 1 3.772 0.016 A 48 LEU HBx H 1 1.414 0.017 A 48 LEU HBy H 1 1.583 0.014 A 48 LEU HD1% H 1 0.856 0.023 A 48 LEU C C 13 179.985 0.000 A 48 LEU CA C 13 58.623 0.000 A 48 LEU N N 15 115.874 0.102 A 49 GLU H H 1 6.964 0.023 A 49 GLU HA H 1 4.108 0.016 A 49 GLU HB3 H 1 1.985 0.009 A 49 GLU HG2 H 1 2.275 0.010 A 49 GLU C C 13 177.944 0.000 A 49 GLU CA C 13 58.418 0.000 A 49 GLU N N 15 118.216 0.046 A 50 ARG H H 1 7.991 0.015 A 50 ARG HA H 1 3.917 0.005 A 50 ARG HB2 H 1 1.758 0.017 A 50 ARG CA C 13 59.074 0.000 A 50 ARG CB C 13 29.011 0.000 A 50 ARG N N 15 119.674 0.162 A 51 HIS H H 1 8.294 0.017 A 51 HIS HA H 1 3.996 0.023 A 51 HIS HB3 H 1 3.234 0.010 A 51 HIS HD2 H 1 6.214 0.001 A 51 HIS HE1 H 1 7.705 0.001 A 51 HIS C C 13 176.638 0.000 A 51 HIS N N 15 117.056 0.043 A 52 ARG H H 1 8.001 0.023 A 52 ARG HA H 1 4.218 0.000 A 52 ARG HB2 H 1 1.967 0.010 A 52 ARG C C 13 179.014 0.000 A 52 ARG CA C 13 59.992 0.000 A 52 ARG CB C 13 29.559 0.000 A 52 ARG N N 15 120.626 0.407 A 53 MET H H 1 8.162 0.022 A 53 MET HA H 1 4.006 0.019 A 53 MET HBx H 1 2.544 0.012 A 53 MET HBy H 1 2.546 0.004 A 53 MET C C 13 179.286 0.000 A 53 MET CA C 13 59.404 0.074 A 53 MET CB C 13 34.976 0.000 A 53 MET N N 15 119.087 0.042 A 54 VAL H H 1 7.790 0.021 A 54 VAL HA H 1 3.425 0.014 A 54 VAL HB H 1 2.230 0.013 A 54 VAL HG2% H 1 0.703 0.018 A 54 VAL C C 13 176.296 0.000 A 54 VAL CA C 13 66.833 0.094 A 54 VAL CB C 13 31.444 0.000 A 54 VAL N N 15 120.886 0.033 A 55 ASN H H 1 8.032 0.025 A 55 ASN HA H 1 4.013 0.016 A 55 ASN HBy H 1 2.686 0.023 A 55 ASN HBx H 1 2.488 0.000 A 55 ASN HD21 H 1 7.047 0.008 A 55 ASN HD22 H 1 6.648 0.007 A 55 ASN C C 13 178.422 0.000 A 55 ASN CA C 13 57.129 0.052 A 55 ASN CB C 13 38.867 0.000 A 55 ASN N N 15 116.881 0.049 A 55 ASN ND2 N 15 108.566 0.047 A 56 ALA H H 1 8.578 0.022 A 56 ALA HA H 1 4.083 0.009 A 56 ALA HB% H 1 1.419 0.016 A 56 ALA C C 13 180.700 0.000 A 56 ALA CA C 13 54.600 0.025 A 56 ALA CB C 13 18.262 0.000 A 56 ALA N N 15 121.164 0.042 A 57 ALA H H 1 7.609 0.021 A 57 ALA HA H 1 4.032 0.002 A 57 ALA HB% H 1 1.402 0.003 A 57 ALA C C 13 177.240 0.000 A 57 ALA CA C 13 54.087 0.042 A 57 ALA CB C 13 18.462 0.000 A 57 ALA N N 15 121.156 0.088 A 58 LEU H H 1 6.995 0.030 A 58 LEU HA H 1 4.895 0.016 A 58 LEU HBy H 1 1.681 0.016 A 58 LEU HBx H 1 1.543 0.012 A 58 LEU C C 13 176.446 0.000 A 58 LEU CA C 13 52.521 0.029 A 58 LEU CB C 13 42.753 0.000 A 58 LEU N N 15 116.065 0.019 A 59 GLU H H 1 7.034 0.030 A 59 GLU HA H 1 3.774 0.000 A 59 GLU HBx H 1 1.928 0.023 A 59 GLU HBy H 1 1.990 0.001 A 59 GLU CA C 13 60.736 0.058 A 59 GLU CB C 13 30.007 0.000 A 59 GLU N N 15 120.288 0.070 A 60 GLU H H 1 8.622 0.034 A 60 GLU HA H 1 4.030 0.001 A 60 GLU HB3 H 1 1.829 0.001 A 60 GLU HG2 H 1 2.217 0.000 A 60 GLU C C 13 179.270 0.000 A 60 GLU CA C 13 58.693 0.068 A 60 GLU CB C 13 29.316 0.000 A 60 GLU N N 15 116.322 0.166 A 61 GLU H H 1 8.946 0.014 A 61 GLU HA H 1 3.890 0.022 A 61 GLU HBx H 1 1.657 0.011 A 61 GLU HBy H 1 2.109 0.020 A 61 GLU C C 13 179.010 0.000 A 61 GLU CA C 13 60.962 0.036 A 61 GLU CB C 13 28.475 0.000 A 61 GLU N N 15 121.506 0.147 A 62 MET H H 1 8.693 0.007 A 62 MET HA H 1 4.312 0.014 A 62 MET HB3 H 1 2.073 0.021 A 62 MET CA C 13 56.302 0.017 A 62 MET CB C 13 30.553 0.000 A 62 MET N N 15 116.213 0.159 A 63 LYS H H 1 7.470 0.040 A 63 LYS HA H 1 4.085 0.009 A 63 LYS HB2 H 1 1.823 0.010 A 63 LYS HG2 H 1 1.412 0.016 A 63 LYS C C 13 177.541 0.000 A 63 LYS CA C 13 58.728 0.067 A 63 LYS CB C 13 32.525 0.000 A 63 LYS N N 15 116.969 0.106 A 64 GLU H H 1 7.773 0.020 A 64 GLU HA H 1 4.465 0.001 A 64 GLU HBx H 1 1.799 0.016 A 64 GLU HBy H 1 2.133 0.000 A 64 GLU C C 13 175.679 0.000 A 64 GLU CA C 13 55.603 0.023 A 64 GLU CB C 13 32.270 0.000 A 64 GLU N N 15 115.556 0.055 A 65 ILE H H 1 7.502 0.044 A 65 ILE HA H 1 4.079 0.015 A 65 ILE HB H 1 1.898 0.014 A 65 ILE HD1% H 1 0.711 0.025 A 65 ILE HG12 H 1 0.852 0.017 A 65 ILE HG2% H 1 0.955 0.001 A 65 ILE CA C 13 61.708 0.056 A 65 ILE CB C 13 40.082 0.000 A 65 ILE N N 15 120.461 0.081 A 66 HIS H H 1 9.196 0.029 A 66 HIS HA H 1 4.545 0.024 A 66 HIS HBy H 1 3.146 0.016 A 66 HIS HBx H 1 3.059 0.000 A 66 HIS HD2 H 1 7.047 0.009 A 66 HIS HE1 H 1 8.344 0.000 A 66 HIS CA C 13 57.683 0.037 A 66 HIS CB C 13 30.277 0.000 A 66 HIS N N 15 125.683 0.338 A 67 ALA H H 1 7.493 0.050 A 67 ALA HA H 1 4.424 0.018 A 67 ALA HB% H 1 1.214 0.016 A 67 ALA C C 13 173.834 0.000 A 67 ALA CA C 13 52.149 0.040 A 67 ALA CB C 13 21.441 0.000 A 67 ALA N N 15 120.229 0.156 A 68 LEU H H 1 8.557 0.025 A 68 LEU HA H 1 4.994 0.017 A 68 LEU HBy H 1 1.786 0.014 A 68 LEU HBx H 1 1.203 0.016 A 68 LEU C C 13 175.157 0.000 A 68 LEU CA C 13 53.191 0.055 A 68 LEU CB C 13 44.768 0.000 A 68 LEU N N 15 124.546 0.038 A 69 SER H H 1 8.854 0.023 A 69 SER HA H 1 4.677 0.009 A 69 SER HBx H 1 3.665 0.017 A 69 SER HBy H 1 3.765 0.012 A 69 SER C C 13 173.548 0.000 A 69 SER CA C 13 55.803 0.075 A 69 SER CB C 13 63.549 0.000 A 69 SER N N 15 122.077 0.045 A 70 ILE H H 1 8.922 0.027 A 70 ILE HA H 1 4.106 0.021 A 70 ILE HB H 1 1.019 0.016 A 70 ILE HG12 H 1 0.362 0.019 A 70 ILE C C 13 175.059 0.000 A 70 ILE CA C 13 60.633 0.047 A 70 ILE CB C 13 36.427 0.000 A 70 ILE N N 15 129.143 0.043 A 71 LYS H H 1 8.676 0.016 A 71 LYS HA H 1 4.072 0.001 A 71 LYS HB2 H 1 1.677 0.000 A 71 LYS HGy H 1 1.418 0.020 A 71 LYS HGx H 1 1.298 0.009 A 71 LYS C C 13 177.201 0.000 A 71 LYS CA C 13 57.938 0.025 A 71 LYS CB C 13 33.426 0.000 A 71 LYS N N 15 130.019 0.026 A 72 LYS H H 1 7.195 0.018 A 72 LYS HA H 1 4.475 0.014 A 72 LYS HB2 H 1 1.566 0.008 A 72 LYS HG2 H 1 1.312 0.020 A 72 LYS C C 13 174.013 0.000 A 72 LYS CA C 13 55.964 0.056 A 72 LYS CB C 13 37.694 0.000 A 72 LYS N N 15 113.659 0.080 A 73 ALA H H 1 8.847 0.022 A 73 ALA HA H 1 5.202 0.014 A 73 ALA HB% H 1 0.606 0.017 A 73 ALA C C 13 175.410 0.000 A 73 ALA CA C 13 50.948 0.081 A 73 ALA CB C 13 17.688 0.000 A 73 ALA N N 15 129.019 0.060 A 74 GLN H H 1 8.398 0.064 A 74 GLN HA H 1 4.846 0.017 A 74 GLN C C 13 175.603 0.000 A 74 GLN CA C 13 54.773 0.069 A 74 GLN CB C 13 34.955 0.000 A 74 GLN N N 15 120.993 0.112 A 75 THR H H 1 8.920 0.033 A 75 THR HA H 1 4.866 0.006 A 75 THR CA C 13 59.600 0.000 A 75 THR N N 15 111.917 0.138 A 76 PRO C C 13 177.659 0.000 A 76 PRO CA C 13 66.443 0.048 A 76 PRO CB C 13 31.876 0.000 A 77 GLN H H 1 8.481 0.026 A 77 GLN HA H 1 4.066 0.008 A 77 GLN HB2 H 1 2.051 0.010 A 77 GLN HE21 H 1 7.413 0.006 A 77 GLN HE22 H 1 6.767 0.010 A 77 GLN HG3 H 1 2.423 0.002 A 77 GLN C C 13 177.630 0.000 A 77 GLN CA C 13 58.652 0.060 A 77 GLN CB C 13 28.238 0.000 A 77 GLN N N 15 114.329 0.052 A 77 GLN NE2 N 15 109.246 0.039 A 78 GLN H H 1 7.503 0.023 A 78 GLN HA H 1 4.093 0.018 A 78 GLN HB2 H 1 1.890 0.007 A 78 GLN HE21 H 1 7.595 0.009 A 78 GLN HE22 H 1 6.994 0.009 A 78 GLN HG2 H 1 1.675 0.015 A 78 GLN HG3 H 1 2.340 0.000 A 78 GLN C C 13 176.403 0.000 A 78 GLN CA C 13 57.293 0.006 A 78 GLN CB C 13 30.974 0.000 A 78 GLN N N 15 116.831 0.095 A 78 GLN NE2 N 15 112.650 0.028 A 79 TRP H H 1 7.668 0.016 A 79 TRP HA H 1 4.387 0.005 A 79 TRP HBy H 1 3.173 0.010 A 79 TRP HBx H 1 2.967 0.007 A 79 TRP HD1 H 1 7.150 0.013 A 79 TRP HE1 H 1 9.959 0.005 A 79 TRP HE3 H 1 7.394 0.013 A 79 TRP HH2 H 1 6.967 0.025 A 79 TRP HZ2 H 1 6.681 0.001 A 79 TRP HZ3 H 1 6.907 0.001 A 79 TRP C C 13 175.429 0.000 A 79 TRP CA C 13 58.561 0.030 A 79 TRP CB C 13 30.914 0.000 A 79 TRP N N 15 120.561 0.052 A 79 TRP NE1 N 15 130.079 0.019 A 80 LYS H H 1 7.768 0.022 A 80 LYS HA H 1 4.200 0.000 A 80 LYS HBx H 1 1.243 0.011 A 80 LYS HBy H 1 1.464 0.013 A 80 LYS HG2 H 1 0.867 0.016 A 80 LYS CA C 13 53.038 0.000 A 80 LYS N N 15 120.883 0.057 A 82 PRO C C 13 176.919 0.000 A 82 PRO CA C 13 62.940 0.040 A 82 PRO CB C 13 32.026 0.000 A 83 SER H H 1 8.264 0.023 A 83 SER HA H 1 4.315 0.020 A 83 SER HB3 H 1 3.773 0.000 A 83 SER C C 13 174.665 0.000 A 83 SER CA C 13 58.162 0.010 A 83 SER CB C 13 63.831 0.000 A 83 SER N N 15 115.592 0.018 A 84 GLN H H 1 8.430 0.024 A 84 GLN HA H 1 4.289 0.010 A 84 GLN HBx H 1 1.887 0.012 A 84 GLN HBy H 1 2.047 0.009 A 84 GLN HE21 H 1 7.500 0.015 A 84 GLN HE22 H 1 6.809 0.012 A 84 GLN HG3 H 1 2.278 0.011 A 84 GLN C C 13 175.598 0.000 A 84 GLN CA C 13 55.851 0.033 A 84 GLN CB C 13 29.619 0.000 A 84 GLN N N 15 122.131 0.034 A 84 GLN NE2 N 15 112.463 0.081 A 85 ASP H H 1 8.307 0.026 A 85 ASP HA H 1 4.534 0.001 A 85 ASP HBy H 1 2.644 0.000 A 85 ASP HBx H 1 2.550 0.000 A 85 ASP C C 13 176.431 0.000 A 85 ASP CA C 13 54.424 0.033 A 85 ASP CB C 13 41.270 0.000 A 85 ASP N N 15 121.550 0.033 A 86 SER H H 1 8.231 0.023 A 86 SER HA H 1 4.316 0.023 A 86 SER HB3 H 1 3.819 0.006 A 86 SER C C 13 174.590 0.000 A 86 SER CA C 13 58.797 0.046 A 86 SER CB C 13 63.667 0.000 A 86 SER N N 15 116.617 0.036 A 87 ALA H H 1 8.312 0.024 A 87 ALA HA H 1 4.290 0.019 A 87 ALA HB% H 1 1.360 0.010 A 87 ALA C C 13 178.018 0.000 A 87 ALA CA C 13 52.952 0.053 A 87 ALA CB C 13 19.117 0.000 A 87 ALA N N 15 125.663 0.056 A 88 THR H H 1 7.997 0.023 A 88 THR HA H 1 4.221 0.014 A 88 THR HB H 1 4.100 0.000 A 88 THR HG1 H 1 1.128 0.000 A 88 THR HG2% H 1 1.140 0.000 A 88 THR C C 13 174.488 0.000 A 88 THR CA C 13 62.115 0.064 A 88 THR CB C 13 69.626 0.000 A 88 THR N N 15 112.987 0.046 A 89 LEU H H 1 8.119 0.025 A 89 LEU HA H 1 4.356 0.011 A 89 LEU HB3 H 1 1.502 0.000 A 89 LEU HG H 1 0.821 0.002 A 89 LEU C C 13 177.367 0.000 A 89 LEU CA C 13 55.263 0.056 A 89 LEU CB C 13 42.492 0.000 A 89 LEU N N 15 124.655 0.041 A 90 THR H H 1 8.086 0.024 A 90 THR HA H 1 4.261 0.015 A 90 THR HB H 1 4.025 0.000 A 90 THR HG2% H 1 1.129 0.014 A 90 THR CA C 13 61.707 0.023 A 90 THR CB C 13 69.825 0.000 A 90 THR N N 15 115.527 0.049 A 91 LYS H H 1 8.272 0.028 A 91 LYS HA H 1 4.293 0.000 A 91 LYS HBx H 1 1.697 0.000 A 91 LYS HBy H 1 1.781 0.000 A 91 LYS HD3 H 1 1.603 0.001 A 91 LYS HG2 H 1 1.352 0.000 A 91 LYS C C 13 175.949 0.000 A 91 LYS CA C 13 56.164 0.025 A 91 LYS CB C 13 33.259 0.000 A 91 LYS N N 15 123.923 0.176 A 92 ASP H H 1 8.340 0.027 A 92 ASP HA H 1 4.510 0.017 A 92 ASP HBy H 1 2.663 0.000 A 92 ASP HBx H 1 2.518 0.017 A 92 ASP C C 13 174.733 0.000 A 92 ASP CA C 13 54.535 0.031 A 92 ASP CB C 13 41.111 0.000 A 92 ASP N N 15 122.237 0.034 A 93 ALA H H 1 7.774 0.026 A 93 ALA HA H 1 4.029 0.001 A 93 ALA HB% H 1 1.240 0.000 A 93 ALA CA C 13 53.789 0.000 A 93 ALA N N 15 129.167 0.031 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_