data_nef_c30682_6ux5 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6UX5 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 1 49 CYS SG 1 15 CYS SG 1 44 CYS SG 1 22 CYS SG 1 37 CYS SG 1 28 CYS SG 1 34 CYS SG stop_ 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 SER start . . 2 A 2 SER middle . . 3 A 3 THR middle . . 4 A 4 PRO middle . false 5 A 5 ASP middle . . 6 A 6 GLY middle . false 7 A 7 THR middle . . 8 A 8 TRP middle . . 9 A 9 VAL middle . . 10 A 10 LYS middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 HIS middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle -HG . 16 A 16 PHE middle . . 17 A 17 THR middle . . 18 A 18 LYS middle . . 19 A 19 TYR middle . . 20 A 20 LYS middle . . 21 A 21 SER middle . . 22 A 22 CYS middle -HG . 23 A 23 GLN middle . . 24 A 24 MET middle . . 25 A 25 SER middle . . 26 A 26 ASP middle . . 27 A 27 SER middle . . 28 A 28 CYS middle -HG . 29 A 29 HIS middle . . 30 A 30 ASP middle . . 31 A 31 GLU middle . . 32 A 32 GLN middle . . 33 A 33 SER middle . . 34 A 34 CYS middle -HG . 35 A 35 HIS middle . . 36 A 36 GLN middle . . 37 A 37 CYS middle -HG . 38 A 38 HIS middle . . 39 A 39 VAL middle . . 40 A 40 LYS middle . . 41 A 41 HIS middle . . 42 A 42 THR middle . . 43 A 43 ASP middle . . 44 A 44 CYS middle -HG . 45 A 45 VAL middle . . 46 A 46 ASN middle . . 47 A 47 THR middle . . 48 A 48 GLY middle . false 49 A 49 CYS middle -HG . 50 A 50 PRO end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 SER HA H 1 4.555 0.001 A 2 SER HB2 H 1 3.862 0.001 A 2 SER HB3 H 1 3.862 0.001 A 2 SER C C 13 173.831 0.000 A 2 SER CA C 13 58.550 0.000 A 2 SER CB C 13 64.037 0.000 A 3 THR H H 1 8.297 0.002 A 3 THR HA H 1 4.564 0.002 A 3 THR HB H 1 4.123 0.002 A 3 THR HG2% H 1 1.235 0.004 A 3 THR CA C 13 60.003 0.043 A 3 THR CB C 13 69.910 0.032 A 3 THR CG2 C 13 21.556 0.069 A 3 THR N N 15 118.416 0.012 A 4 PRO HA H 1 4.245 0.002 A 4 PRO HBy H 1 1.905 0.007 A 4 PRO HBx H 1 1.825 0.006 A 4 PRO HDx H 1 3.594 0.005 A 4 PRO HDy H 1 3.708 0.005 A 4 PRO HGy H 1 1.814 0.001 A 4 PRO HGx H 1 1.698 0.004 A 4 PRO C C 13 176.234 0.000 A 4 PRO CA C 13 63.176 0.167 A 4 PRO CB C 13 32.158 0.049 A 4 PRO CD C 13 50.983 0.161 A 4 PRO CG C 13 27.341 0.001 A 5 ASP H H 1 8.408 0.002 A 5 ASP HA H 1 4.628 0.003 A 5 ASP HBy H 1 2.880 0.004 A 5 ASP HBx H 1 2.763 0.003 A 5 ASP C C 13 176.894 0.000 A 5 ASP CA C 13 54.203 0.054 A 5 ASP CB C 13 41.991 0.042 A 5 ASP N N 15 121.408 0.057 A 6 GLY H H 1 8.705 0.003 A 6 GLY HA2 H 1 4.047 0.006 A 6 GLY HA3 H 1 4.047 0.006 A 6 GLY C C 13 176.362 0.000 A 6 GLY CA C 13 47.070 0.012 A 6 GLY N N 15 109.054 0.036 A 7 THR H H 1 8.358 0.002 A 7 THR HA H 1 4.082 0.006 A 7 THR HB H 1 4.397 0.004 A 7 THR HG2% H 1 1.354 0.009 A 7 THR C C 13 175.962 0.000 A 7 THR CA C 13 65.810 0.071 A 7 THR CB C 13 68.812 0.035 A 7 THR CG2 C 13 22.167 0.047 A 7 THR N N 15 117.075 0.076 A 8 TRP H H 1 8.224 0.002 A 8 TRP HA H 1 4.295 0.004 A 8 TRP HBy H 1 3.654 0.003 A 8 TRP HBx H 1 3.438 0.001 A 8 TRP HD1 H 1 7.347 0.005 A 8 TRP HE1 H 1 9.816 0.003 A 8 TRP HH2 H 1 7.380 0.003 A 8 TRP HZ2 H 1 7.110 0.003 A 8 TRP C C 13 177.820 0.000 A 8 TRP CA C 13 62.621 0.040 A 8 TRP CB C 13 30.041 0.038 A 8 TRP N N 15 126.860 0.025 A 8 TRP NE1 N 15 129.720 0.017 A 9 VAL H H 1 8.367 0.002 A 9 VAL HA H 1 3.607 0.002 A 9 VAL HB H 1 2.208 0.003 A 9 VAL HGx% H 1 1.327 0.004 A 9 VAL HGy% H 1 1.029 0.006 A 9 VAL C C 13 178.606 0.000 A 9 VAL CA C 13 66.867 0.050 A 9 VAL CB C 13 32.397 0.091 A 9 VAL CGy C 13 23.056 0.032 A 9 VAL CGx C 13 21.333 0.001 A 9 VAL N N 15 118.227 0.020 A 10 LYS H H 1 8.064 0.002 A 10 LYS HA H 1 4.147 0.005 A 10 LYS HB2 H 1 1.933 0.000 A 10 LYS HB3 H 1 1.933 0.000 A 10 LYS HDx H 1 1.678 0.002 A 10 LYS HDy H 1 1.768 0.003 A 10 LYS HE2 H 1 3.041 0.004 A 10 LYS HE3 H 1 3.041 0.004 A 10 LYS HGx H 1 1.465 0.007 A 10 LYS HGy H 1 1.544 0.001 A 10 LYS C C 13 177.673 0.000 A 10 LYS CA C 13 59.809 0.210 A 10 LYS CB C 13 32.537 0.007 A 10 LYS CD C 13 29.146 0.000 A 10 LYS CE C 13 42.082 0.168 A 10 LYS CG C 13 25.147 0.116 A 10 LYS N N 15 121.369 0.039 A 11 CYS H H 1 8.062 0.001 A 11 CYS HA H 1 4.391 0.005 A 11 CYS HBy H 1 3.398 0.002 A 11 CYS HBx H 1 3.263 0.004 A 11 CYS C C 13 176.119 0.000 A 11 CYS CA C 13 59.225 0.003 A 11 CYS CB C 13 38.973 0.017 A 11 CYS N N 15 120.199 0.036 A 12 ARG H H 1 8.378 0.003 A 12 ARG HA H 1 3.633 0.003 A 12 ARG HBy H 1 1.842 0.003 A 12 ARG HBx H 1 1.517 0.003 A 12 ARG HD2 H 1 2.785 0.008 A 12 ARG HD3 H 1 2.786 0.008 A 12 ARG HE H 1 6.375 0.004 A 12 ARG HGx H 1 0.454 0.005 A 12 ARG HGy H 1 0.743 0.006 A 12 ARG C C 13 180.171 0.000 A 12 ARG CA C 13 57.930 0.028 A 12 ARG CB C 13 29.276 0.011 A 12 ARG CD C 13 42.535 0.000 A 12 ARG CG C 13 25.195 0.000 A 12 ARG N N 15 122.433 0.048 A 12 ARG NE N 15 84.4 0.033 A 13 HIS H H 1 8.533 0.003 A 13 HIS HA H 1 4.549 0.004 A 13 HIS HBx H 1 3.375 0.003 A 13 HIS HBy H 1 3.456 0.000 A 13 HIS HD2 H 1 7.339 0.003 A 13 HIS HE1 H 1 8.365 0.001 A 13 HIS C C 13 177.362 0.003 A 13 HIS CA C 13 59.650 0.007 A 13 HIS CB C 13 29.067 0.073 A 13 HIS CE1 C 13 137.453 0.000 A 13 HIS N N 15 120.845 0.042 A 14 ASP H H 1 9.256 0.003 A 14 ASP HA H 1 4.467 0.004 A 14 ASP HBy H 1 2.907 0.005 A 14 ASP HBx H 1 2.721 0.004 A 14 ASP C C 13 179.335 0.000 A 14 ASP CA C 13 57.762 0.058 A 14 ASP CB C 13 40.099 0.036 A 14 ASP N N 15 123.462 0.088 A 15 CYS H H 1 8.956 0.002 A 15 CYS HA H 1 4.552 0.005 A 15 CYS HBy H 1 2.944 0.008 A 15 CYS HBx H 1 2.770 0.004 A 15 CYS C C 13 178.155 0.000 A 15 CYS CA C 13 56.859 0.009 A 15 CYS CB C 13 36.712 0.091 A 15 CYS N N 15 116.768 0.044 A 16 PHE H H 1 8.522 0.004 A 16 PHE HA H 1 4.285 0.004 A 16 PHE HBy H 1 3.571 0.002 A 16 PHE HBx H 1 3.310 0.001 A 16 PHE HD1 H 1 7.137 0.002 A 16 PHE HD2 H 1 7.137 0.002 A 16 PHE HE1 H 1 7.237 0.002 A 16 PHE HE2 H 1 7.237 0.002 A 16 PHE C C 13 176.391 0.003 A 16 PHE CA C 13 62.881 0.005 A 16 PHE CB C 13 38.819 0.015 A 16 PHE CD1 C 13 129.460 0.000 A 16 PHE CD2 C 13 129.460 0.000 A 16 PHE N N 15 124.197 0.088 A 17 THR H H 1 8.923 0.003 A 17 THR HA H 1 3.694 0.003 A 17 THR HB H 1 4.314 0.002 A 17 THR HG2% H 1 1.204 0.003 A 17 THR C C 13 177.402 0.043 A 17 THR CA C 13 67.009 0.007 A 17 THR CB C 13 68.634 0.035 A 17 THR CG2 C 13 21.858 0.066 A 17 THR N N 15 117.263 0.047 A 18 LYS H H 1 7.739 0.002 A 18 LYS HA H 1 4.052 0.004 A 18 LYS HB2 H 1 1.908 0.007 A 18 LYS HB3 H 1 1.908 0.007 A 18 LYS HDx H 1 1.634 0.000 A 18 LYS HDy H 1 1.716 0.001 A 18 LYS HE2 H 1 2.959 0.000 A 18 LYS HE3 H 1 2.959 0.000 A 18 LYS HG2 H 1 1.486 0.005 A 18 LYS HG3 H 1 1.486 0.000 A 18 LYS C C 13 178.471 0.000 A 18 LYS CA C 13 59.732 0.328 A 18 LYS CB C 13 32.775 0.178 A 18 LYS CD C 13 29.302 0.005 A 18 LYS CE C 13 42.242 0.010 A 18 LYS CG C 13 25.064 0.136 A 18 LYS N N 15 121.441 0.042 A 19 TYR H H 1 7.737 0.003 A 19 TYR HA H 1 4.814 0.005 A 19 TYR HBy H 1 3.017 0.006 A 19 TYR HBx H 1 2.908 0.005 A 19 TYR HD1 H 1 6.554 0.002 A 19 TYR HD2 H 1 6.554 0.002 A 19 TYR HE1 H 1 6.440 0.003 A 19 TYR HE2 H 1 6.440 0.003 A 19 TYR C C 13 176.897 0.000 A 19 TYR CA C 13 59.832 0.001 A 19 TYR CB C 13 38.057 0.005 A 19 TYR CD1 C 13 133.375 0.000 A 19 TYR CD2 C 13 133.375 0.000 A 19 TYR CE1 C 13 117.760 0.000 A 19 TYR CE2 C 13 117.760 0.000 A 19 TYR CG C 13 132.924 0.000 A 19 TYR N N 15 123.991 0.039 A 20 LYS H H 1 8.381 0.003 A 20 LYS HA H 1 3.510 0.007 A 20 LYS HBy H 1 1.584 0.002 A 20 LYS HBx H 1 1.498 0.002 A 20 LYS HD2 H 1 1.552 0.003 A 20 LYS HD3 H 1 1.552 0.003 A 20 LYS HEy H 1 3.012 0.001 A 20 LYS HEx H 1 2.892 0.002 A 20 LYS HGy H 1 1.219 0.006 A 20 LYS HGx H 1 1.044 0.002 A 20 LYS C C 13 178.940 0.000 A 20 LYS CA C 13 58.369 0.092 A 20 LYS CB C 13 30.779 0.127 A 20 LYS CD C 13 28.011 0.000 A 20 LYS CE C 13 42.246 0.001 A 20 LYS CG C 13 24.454 0.122 A 20 LYS N N 15 121.140 0.019 A 21 SER H H 1 7.964 0.003 A 21 SER HA H 1 4.074 0.007 A 21 SER HB2 H 1 3.885 0.004 A 21 SER HB3 H 1 3.885 0.004 A 21 SER C C 13 176.320 0.000 A 21 SER CA C 13 61.722 0.007 A 21 SER CB C 13 62.432 0.026 A 21 SER N N 15 113.648 0.055 A 22 CYS H H 1 7.974 0.004 A 22 CYS HA H 1 4.136 0.003 A 22 CYS HBy H 1 3.495 0.004 A 22 CYS HBx H 1 3.105 0.004 A 22 CYS C C 13 177.453 0.000 A 22 CYS CA C 13 60.301 0.015 A 22 CYS CB C 13 35.994 0.046 A 22 CYS N N 15 122.289 0.028 A 23 GLN H H 1 8.260 0.002 A 23 GLN HA H 1 3.831 0.003 A 23 GLN HB2 H 1 1.820 0.006 A 23 GLN HB3 H 1 1.820 0.006 A 23 GLN HE21 H 1 6.327 0.008 A 23 GLN HE22 H 1 6.204 0.004 A 23 GLN HG2 H 1 1.967 0.008 A 23 GLN HG3 H 1 1.968 0.008 A 23 GLN C C 13 176.713 0.015 A 23 GLN CA C 13 58.839 0.077 A 23 GLN CB C 13 29.290 0.005 A 23 GLN CG C 13 34.200 0.004 A 23 GLN N N 15 119.337 0.030 A 23 GLN NE2 N 15 108.052 0.012 A 24 MET H H 1 7.596 0.002 A 24 MET HA H 1 4.367 0.001 A 24 MET HBy H 1 2.221 0.002 A 24 MET HBx H 1 2.023 0.005 A 24 MET HE% H 1 2.056 0.001 A 24 MET HGy H 1 2.681 0.005 A 24 MET HGx H 1 2.550 0.009 A 24 MET C C 13 175.979 0.013 A 24 MET CA C 13 55.917 0.004 A 24 MET CB C 13 32.912 0.016 A 24 MET CE C 13 16.660 0.031 A 24 MET CG C 13 31.929 0.029 A 24 MET N N 15 115.098 0.016 A 25 SER H H 1 7.563 0.003 A 25 SER HA H 1 4.603 0.004 A 25 SER HB2 H 1 4.198 0.001 A 25 SER HB3 H 1 4.198 0.001 A 25 SER C C 13 175.016 0.030 A 25 SER CA C 13 58.600 0.011 A 25 SER CB C 13 65.831 0.031 A 25 SER N N 15 116.072 0.027 A 26 ASP H H 1 8.882 0.006 A 26 ASP HA H 1 4.473 0.005 A 26 ASP HB2 H 1 2.744 0.001 A 26 ASP HB3 H 1 2.744 0.001 A 26 ASP C C 13 176.898 0.000 A 26 ASP CA C 13 55.993 0.013 A 26 ASP CB C 13 40.119 0.005 A 26 ASP N N 15 120.970 0.015 A 27 SER H H 1 8.156 0.003 A 27 SER HA H 1 4.398 0.003 A 27 SER HB2 H 1 3.912 0.002 A 27 SER HB3 H 1 3.912 0.002 A 27 SER C C 13 172.995 0.012 A 27 SER CA C 13 60.642 0.016 A 27 SER CB C 13 63.284 0.004 A 27 SER N N 15 114.860 0.099 A 28 CYS H H 1 7.650 0.004 A 28 CYS HA H 1 4.747 0.012 A 28 CYS HBy H 1 3.277 0.005 A 28 CYS HBx H 1 3.164 0.008 A 28 CYS C C 13 172.262 0.000 A 28 CYS CA C 13 54.107 0.006 A 28 CYS CB C 13 36.523 0.067 A 28 CYS N N 15 118.981 0.030 A 29 HIS H H 1 8.389 0.004 A 29 HIS HA H 1 5.075 0.005 A 29 HIS HBy H 1 3.500 0.008 A 29 HIS HBx H 1 3.107 0.004 A 29 HIS HD2 H 1 7.227 0.003 A 29 HIS HE1 H 1 8.543 0.002 A 29 HIS C C 13 172.288 0.000 A 29 HIS CA C 13 54.885 0.071 A 29 HIS CB C 13 30.063 0.018 A 29 HIS CE1 C 13 136.923 0.000 A 29 HIS N N 15 119.837 0.025 A 30 ASP H H 1 7.973 0.002 A 30 ASP HA H 1 3.839 0.004 A 30 ASP HBy H 1 3.261 0.002 A 30 ASP HBx H 1 2.928 0.002 A 30 ASP C C 13 174.435 0.001 A 30 ASP CA C 13 53.178 0.010 A 30 ASP CB C 13 39.915 0.027 A 30 ASP N N 15 119.565 0.017 A 31 GLU H H 1 8.899 0.002 A 31 GLU HA H 1 3.810 0.002 A 31 GLU HB2 H 1 1.969 0.004 A 31 GLU HB3 H 1 1.969 0.004 A 31 GLU HG2 H 1 2.195 0.002 A 31 GLU HG3 H 1 2.195 0.002 A 31 GLU C C 13 178.868 0.000 A 31 GLU CA C 13 61.117 0.017 A 31 GLU CB C 13 29.439 0.019 A 31 GLU CG C 13 36.465 0.012 A 31 GLU N N 15 119.880 0.016 A 32 GLN H H 1 8.548 0.001 A 32 GLN HA H 1 4.120 0.006 A 32 GLN HBy H 1 2.149 0.003 A 32 GLN HBx H 1 2.090 0.001 A 32 GLN HE21 H 1 7.641 0.001 A 32 GLN HE22 H 1 6.871 0.003 A 32 GLN HG2 H 1 2.476 0.006 A 32 GLN HG3 H 1 2.476 0.006 A 32 GLN C C 13 178.836 0.000 A 32 GLN CA C 13 59.537 0.007 A 32 GLN CB C 13 28.311 0.008 A 32 GLN CG C 13 34.059 0.020 A 32 GLN N N 15 118.530 0.053 A 32 GLN NE2 N 15 112.230 0.007 A 33 SER H H 1 8.765 0.002 A 33 SER HA H 1 4.238 0.004 A 33 SER HB2 H 1 3.765 0.001 A 33 SER HB3 H 1 3.765 0.001 A 33 SER C C 13 178.289 0.000 A 33 SER CA C 13 61.608 0.018 A 33 SER CB C 13 62.149 0.043 A 33 SER N N 15 117.600 0.023 A 34 CYS H H 1 8.472 0.002 A 34 CYS HA H 1 4.443 0.001 A 34 CYS HB2 H 1 3.292 0.002 A 34 CYS HB3 H 1 3.292 0.002 A 34 CYS C C 13 177.226 0.000 A 34 CYS CA C 13 60.103 0.019 A 34 CYS CB C 13 43.990 0.021 A 34 CYS N N 15 121.689 0.053 A 35 HIS H H 1 8.304 0.001 A 35 HIS HA H 1 4.648 0.005 A 35 HIS HB2 H 1 3.479 0.004 A 35 HIS HB3 H 1 3.479 0.004 A 35 HIS HD2 H 1 7.249 0.002 A 35 HIS HE1 H 1 8.282 0.001 A 35 HIS C C 13 177.398 0.000 A 35 HIS CA C 13 59.644 0.030 A 35 HIS CB C 13 28.711 0.043 A 35 HIS CE1 C 13 137.310 0.000 A 35 HIS N N 15 120.861 0.050 A 36 GLN H H 1 8.055 0.002 A 36 GLN HA H 1 4.081 0.003 A 36 GLN HBx H 1 2.237 0.002 A 36 GLN HBy H 1 2.348 0.002 A 36 GLN HE21 H 1 7.021 0.001 A 36 GLN HE22 H 1 7.680 0.001 A 36 GLN HG2 H 1 2.592 0.005 A 36 GLN HG3 H 1 2.592 0.005 A 36 GLN C C 13 178.176 0.016 A 36 GLN CA C 13 58.729 0.057 A 36 GLN CB C 13 27.816 0.014 A 36 GLN CG C 13 33.725 0.073 A 36 GLN N N 15 117.614 0.022 A 36 GLN NE2 N 15 112.493 0.009 A 37 CYS H H 1 7.790 0.004 A 37 CYS HA H 1 4.559 0.001 A 37 CYS HBy H 1 3.331 0.007 A 37 CYS HBx H 1 3.131 0.002 A 37 CYS C C 13 178.218 0.015 A 37 CYS CA C 13 56.221 0.021 A 37 CYS CB C 13 35.636 0.016 A 37 CYS N N 15 115.695 0.027 A 38 HIS H H 1 7.673 0.002 A 38 HIS HA H 1 4.329 0.005 A 38 HIS HBy H 1 3.478 0.002 A 38 HIS HBx H 1 3.379 0.002 A 38 HIS HD2 H 1 7.049 0.002 A 38 HIS HE1 H 1 8.083 0.001 A 38 HIS C C 13 176.886 0.000 A 38 HIS CA C 13 59.801 0.018 A 38 HIS CB C 13 29.617 0.012 A 38 HIS CE1 C 13 138.273 0.000 A 38 HIS N N 15 121.653 0.017 A 39 VAL H H 1 7.901 0.003 A 39 VAL HA H 1 3.572 0.004 A 39 VAL HB H 1 2.069 0.001 A 39 VAL HGx% H 1 0.934 0.002 A 39 VAL HGy% H 1 0.813 0.003 A 39 VAL C C 13 178.468 0.000 A 39 VAL CA C 13 66.720 0.020 A 39 VAL CB C 13 32.051 0.016 A 39 VAL CGx C 13 21.106 0.003 A 39 VAL CGy C 13 22.148 0.004 A 39 VAL N N 15 121.808 0.076 A 40 LYS H H 1 8.139 0.002 A 40 LYS HA H 1 4.109 0.002 A 40 LYS HB2 H 1 1.897 0.008 A 40 LYS HB3 H 1 1.898 0.008 A 40 LYS HDx H 1 1.650 0.001 A 40 LYS HDy H 1 1.687 0.051 A 40 LYS HE2 H 1 2.939 0.012 A 40 LYS HE3 H 1 2.939 0.012 A 40 LYS HG2 H 1 1.598 0.003 A 40 LYS HG3 H 1 1.598 0.003 A 40 LYS C C 13 179.099 0.002 A 40 LYS CA C 13 59.328 0.010 A 40 LYS CB C 13 32.548 0.015 A 40 LYS CD C 13 29.147 0.003 A 40 LYS CE C 13 42.206 0.000 A 40 LYS CG C 13 26.017 0.000 A 40 LYS N N 15 117.676 0.033 A 41 HIS H H 1 7.806 0.002 A 41 HIS HA H 1 4.705 0.003 A 41 HIS HBy H 1 3.147 0.002 A 41 HIS HBx H 1 2.939 0.003 A 41 HIS HD2 H 1 6.749 0.002 A 41 HIS HE1 H 1 7.625 0.001 A 41 HIS C C 13 176.493 0.000 A 41 HIS CA C 13 60.454 0.023 A 41 HIS CB C 13 29.701 0.006 A 41 HIS CD2 C 13 121.553 0.000 A 41 HIS CE1 C 13 138.224 0.000 A 41 HIS N N 15 121.981 0.045 A 42 THR H H 1 8.387 0.002 A 42 THR HA H 1 3.662 0.004 A 42 THR HB H 1 4.280 0.004 A 42 THR HG2% H 1 1.178 0.005 A 42 THR C C 13 175.727 0.000 A 42 THR CA C 13 66.575 0.050 A 42 THR CB C 13 68.770 0.013 A 42 THR CG2 C 13 22.133 0.005 A 42 THR N N 15 117.663 0.027 A 43 ASP H H 1 8.015 0.001 A 43 ASP HA H 1 4.362 0.003 A 43 ASP HB2 H 1 2.650 0.004 A 43 ASP HB3 H 1 2.651 0.004 A 43 ASP C C 13 177.453 0.000 A 43 ASP CA C 13 57.789 0.034 A 43 ASP CB C 13 40.968 0.006 A 43 ASP N N 15 120.720 0.035 A 44 CYS H H 1 8.164 0.003 A 44 CYS HA H 1 4.074 0.005 A 44 CYS HBy H 1 3.489 0.005 A 44 CYS HBx H 1 3.151 0.005 A 44 CYS C C 13 177.403 0.000 A 44 CYS CA C 13 60.915 0.032 A 44 CYS CB C 13 37.202 0.021 A 44 CYS N N 15 122.145 0.066 A 45 VAL H H 1 8.099 0.001 A 45 VAL HA H 1 3.745 0.005 A 45 VAL HB H 1 1.847 0.003 A 45 VAL HG1% H 1 0.652 0.004 A 45 VAL HG2% H 1 0.652 0.004 A 45 VAL C C 13 177.923 0.000 A 45 VAL CA C 13 64.965 0.036 A 45 VAL CB C 13 31.771 0.012 A 45 VAL CG1 C 13 22.135 0.007 A 45 VAL CG2 C 13 22.135 0.007 A 45 VAL N N 15 119.330 0.030 A 46 ASN H H 1 8.545 0.002 A 46 ASN HA H 1 4.361 0.004 A 46 ASN HBy H 1 2.942 0.003 A 46 ASN HBx H 1 2.748 0.001 A 46 ASN HD21 H 1 7.643 0.002 A 46 ASN HD22 H 1 6.879 0.003 A 46 ASN C C 13 177.520 0.000 A 46 ASN CA C 13 56.006 0.008 A 46 ASN CB C 13 37.901 0.006 A 46 ASN N N 15 118.072 0.025 A 46 ASN ND2 N 15 111.560 0.059 A 47 THR H H 1 7.921 0.005 A 47 THR HA H 1 4.177 0.005 A 47 THR HB H 1 4.179 0.002 A 47 THR HG2% H 1 1.244 0.002 A 47 THR C C 13 175.671 0.029 A 47 THR CA C 13 64.776 0.015 A 47 THR CB C 13 69.674 0.015 A 47 THR CG2 C 13 21.479 0.000 A 47 THR N N 15 110.489 0.067 A 48 GLY H H 1 7.501 0.003 A 48 GLY HAy H 1 4.359 0.003 A 48 GLY HAx H 1 3.927 0.006 A 48 GLY C C 13 174.303 0.000 A 48 GLY CA C 13 47.038 0.020 A 48 GLY N N 15 106.692 0.075 A 49 CYS H H 1 9.070 0.001 A 49 CYS HA H 1 5.123 0.003 A 49 CYS HBy H 1 3.038 0.004 A 49 CYS HBx H 1 2.462 0.005 A 49 CYS CA C 13 54.184 0.046 A 49 CYS CB C 13 39.705 0.026 A 49 CYS N N 15 115.586 0.036 A 50 PRO HA H 1 4.240 0.000 A 50 PRO HBy H 1 2.347 0.000 A 50 PRO HBx H 1 2.058 0.000 A 50 PRO HDy H 1 3.703 0.003 A 50 PRO HDx H 1 3.591 0.001 A 50 PRO HGy H 1 2.080 0.000 A 50 PRO HGx H 1 2.045 0.000 A 50 PRO CA C 13 65.590 0.010 A 50 PRO CD C 13 50.444 0.010 stop_ 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_