data_nef_c34292_6gw7 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 6GW7 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 LEU middle . . 3 A 3 LYS middle . . 4 A 4 ASP middle . . 5 A 5 TYR middle . . 6 A 6 HIS middle . . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 GLU middle . . 10 A 10 MET middle . . 11 A 11 PRO middle . false 12 A 12 GLU middle . . 13 A 13 MET middle . . 14 A 14 GLU middle . . 15 A 15 ASP middle . . 16 A 16 GLU middle . . 17 A 17 PHE middle . . 18 A 18 LEU middle . . 19 A 19 GLU middle . . 20 A 20 TYR middle . . 21 A 21 CYS middle . . 22 A 22 ALA middle . . 23 A 23 LYS middle . . 24 A 24 ASN middle . . 25 A 25 PRO middle . false 26 A 26 SER middle . . 27 A 27 TYR middle . . 28 A 28 GLU middle . . 29 A 29 GLU middle . . 30 A 30 ALA middle . . 31 A 31 TYR middle . . 32 A 32 LEU middle . . 33 A 33 LYS middle . . 34 A 34 PHE middle . . 35 A 35 GLY middle . false 36 A 36 ASP middle . . 37 A 37 LYS middle . . 38 A 38 LEU middle . . 39 A 39 LEU middle . . 40 A 40 GLU middle . . 41 A 41 TYR middle . . 42 A 42 GLU middle . . 43 A 43 LEU middle . . 44 A 44 LEU middle . . 45 A 45 GLY middle . false 46 A 46 LYS middle . . 47 A 47 ILE middle . . 48 A 48 LYS middle . . 49 A 49 ARG middle . . 50 A 50 ILE middle . . 51 A 51 ASN middle . . 52 A 52 HIS middle . . 53 A 53 ILE middle . . 54 A 54 VAL middle . . 55 A 55 VAL middle . . 56 A 56 LEU middle . . 57 A 57 ALA middle . . 58 A 58 HIS middle . . 59 A 59 HIS end . . 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 1 MET HA H 1 4.102 0.000 A 1 MET HB2 H 1 2.158 0.000 A 1 MET HB3 H 1 2.158 0.000 A 1 MET HG2 H 1 2.582 0.000 A 1 MET HG3 H 1 2.582 0.000 A 1 MET CA C 13 55.046 0.000 A 1 MET CB C 13 33.165 0.000 A 1 MET CG C 13 31.061 0.000 A 2 LEU H H 1 8.679 0.000 A 2 LEU HA H 1 4.379 0.000 A 2 LEU HDx% H 1 0.922 0.000 A 2 LEU HDy% H 1 0.877 0.000 A 2 LEU HG H 1 1.617 0.000 A 2 LEU CA C 13 55.578 0.000 A 2 LEU CB C 13 42.357 0.000 A 2 LEU CDy C 13 24.381 0.000 A 2 LEU CDx C 13 24.042 0.000 A 2 LEU CG C 13 27.172 0.000 A 2 LEU N N 15 125.563 0.000 A 3 LYS H H 1 8.228 0.000 A 3 LYS HA H 1 4.273 0.000 A 3 LYS HBy H 1 1.821 0.000 A 3 LYS HBx H 1 1.754 0.000 A 3 LYS HD2 H 1 1.675 0.000 A 3 LYS HD3 H 1 1.675 0.000 A 3 LYS HE2 H 1 2.988 0.000 A 3 LYS HE3 H 1 2.988 0.000 A 3 LYS HG2 H 1 1.448 0.000 A 3 LYS HG3 H 1 1.448 0.000 A 3 LYS CA C 13 56.533 0.000 A 3 LYS CB C 13 33.153 0.007 A 3 LYS CD C 13 29.319 0.000 A 3 LYS CE C 13 42.046 0.000 A 3 LYS CG C 13 25.037 0.000 A 3 LYS N N 15 121.809 0.000 A 4 ASP H H 1 8.181 0.000 A 4 ASP HA H 1 4.544 0.000 A 4 ASP HB2 H 1 2.561 0.000 A 4 ASP HB3 H 1 2.561 0.000 A 4 ASP CA C 13 54.025 0.000 A 4 ASP CB C 13 41.510 0.000 A 4 ASP N N 15 120.879 0.000 A 5 TYR H H 1 8.079 0.000 A 5 TYR HA H 1 4.445 0.000 A 5 TYR HBy H 1 2.999 0.000 A 5 TYR HBx H 1 2.900 0.000 A 5 TYR HD1 H 1 7.083 0.000 A 5 TYR HD2 H 1 7.083 0.000 A 5 TYR HE1 H 1 6.805 0.000 A 5 TYR HE2 H 1 6.805 0.000 A 5 TYR CA C 13 58.305 0.000 A 5 TYR CB C 13 38.669 0.017 A 5 TYR CD1 C 13 133.432 0.000 A 5 TYR CD2 C 13 133.432 0.000 A 5 TYR CE1 C 13 118.709 0.000 A 5 TYR CE2 C 13 118.709 0.000 A 5 TYR N N 15 121.459 0.000 A 6 HIS H H 1 8.374 0.000 A 6 HIS HA H 1 4.532 0.000 A 6 HIS HBy H 1 3.198 0.000 A 6 HIS HBx H 1 3.098 0.000 A 6 HIS CA C 13 56.011 0.000 A 6 HIS CB C 13 29.116 0.000 A 6 HIS N N 15 119.923 0.000 A 7 LEU H H 1 8.053 0.000 A 7 LEU HA H 1 4.257 0.000 A 7 LEU HB2 H 1 1.612 0.000 A 7 LEU HB3 H 1 1.612 0.000 A 7 LEU HDx% H 1 0.931 0.000 A 7 LEU HDy% H 1 0.852 0.000 A 7 LEU HG H 1 1.497 0.000 A 7 LEU CA C 13 55.475 0.000 A 7 LEU CB C 13 42.497 0.000 A 7 LEU CDy C 13 24.654 0.000 A 7 LEU CDx C 13 23.838 0.000 A 7 LEU CG C 13 27.737 0.000 A 7 LEU N N 15 122.430 0.000 A 8 LYS H H 1 8.387 0.000 A 8 LYS HA H 1 4.225 0.000 A 8 LYS HBy H 1 1.753 0.000 A 8 LYS HBx H 1 1.679 0.000 A 8 LYS HD2 H 1 1.913 0.000 A 8 LYS HD3 H 1 1.913 0.000 A 8 LYS HE2 H 1 2.949 0.000 A 8 LYS HE3 H 1 2.949 0.000 A 8 LYS HGy H 1 1.351 0.000 A 8 LYS HGx H 1 1.286 0.000 A 8 LYS CA C 13 56.434 0.000 A 8 LYS CB C 13 33.151 0.020 A 8 LYS CD C 13 31.628 0.000 A 8 LYS CE C 13 42.068 0.000 A 8 LYS CG C 13 24.864 0.002 A 8 LYS N N 15 122.577 0.000 A 9 GLU H H 1 8.327 0.000 A 9 GLU HA H 1 4.286 0.000 A 9 GLU HBy H 1 2.049 0.012 A 9 GLU HBx H 1 1.928 0.000 A 9 GLU HG2 H 1 2.279 0.000 A 9 GLU HG3 H 1 2.279 0.000 A 9 GLU CA C 13 56.291 0.000 A 9 GLU CB C 13 30.300 0.187 A 9 GLU CG C 13 36.282 0.000 A 9 GLU N N 15 121.581 0.000 A 10 MET H H 1 8.383 0.000 A 10 MET HA H 1 4.794 0.000 A 10 MET HBy H 1 2.097 0.000 A 10 MET HBx H 1 1.966 0.000 A 10 MET HGy H 1 2.615 0.000 A 10 MET HGx H 1 2.559 0.000 A 10 MET CA C 13 53.494 0.000 A 10 MET CB C 13 32.579 0.009 A 10 MET CG C 13 32.299 0.025 A 10 MET N N 15 122.555 0.000 A 11 PRO HA H 1 4.412 0.000 A 11 PRO HBy H 1 2.293 0.000 A 11 PRO HBx H 1 1.913 0.000 A 11 PRO HDx H 1 3.703 0.000 A 11 PRO HDy H 1 3.783 0.000 A 11 PRO HGx H 1 1.990 0.000 A 11 PRO HGy H 1 2.027 0.000 A 11 PRO CA C 13 63.824 0.000 A 11 PRO CB C 13 32.232 0.010 A 11 PRO CD C 13 50.793 0.010 A 11 PRO CG C 13 27.660 0.000 A 12 GLU H H 1 8.658 0.000 A 12 GLU HA H 1 4.257 0.000 A 12 GLU HB2 H 1 1.983 0.000 A 12 GLU HB3 H 1 1.983 0.000 A 12 GLU HG2 H 1 2.279 0.000 A 12 GLU HG3 H 1 2.279 0.000 A 12 GLU CA C 13 57.299 0.000 A 12 GLU CB C 13 30.036 0.000 A 12 GLU CG C 13 36.447 0.000 A 12 GLU N N 15 120.553 0.000 A 13 MET H H 1 8.302 0.000 A 13 MET HA H 1 4.447 0.000 A 13 MET HB2 H 1 2.090 0.000 A 13 MET HB3 H 1 2.090 0.000 A 13 MET HGy H 1 2.567 0.000 A 13 MET HGx H 1 2.483 0.000 A 13 MET CA C 13 56.072 0.000 A 13 MET CB C 13 33.129 0.000 A 13 MET CG C 13 32.369 0.022 A 13 MET N N 15 120.266 0.000 A 14 GLU H H 1 8.360 0.000 A 14 GLU HA H 1 4.202 0.000 A 14 GLU HBy H 1 2.102 0.000 A 14 GLU HBx H 1 2.045 0.000 A 14 GLU HG2 H 1 2.290 0.000 A 14 GLU HG3 H 1 2.290 0.000 A 14 GLU CA C 13 57.601 0.000 A 14 GLU CB C 13 30.157 0.009 A 14 GLU CG C 13 36.373 0.000 A 14 GLU N N 15 121.757 0.000 A 15 ASP H H 1 8.255 0.000 A 15 ASP HA H 1 4.557 0.000 A 15 ASP HBy H 1 2.880 0.000 A 15 ASP HBx H 1 2.650 0.000 A 15 ASP CA C 13 55.395 0.000 A 15 ASP CB C 13 41.360 0.013 A 15 ASP N N 15 121.168 0.000 A 16 GLU H H 1 8.746 0.000 A 16 GLU HA H 1 4.106 0.000 A 16 GLU HB2 H 1 2.163 0.000 A 16 GLU HB3 H 1 2.163 0.000 A 16 GLU HGy H 1 2.445 0.000 A 16 GLU HGx H 1 2.348 0.000 A 16 GLU CA C 13 59.550 0.000 A 16 GLU CB C 13 29.697 0.000 A 16 GLU CG C 13 36.456 0.025 A 16 GLU N N 15 123.151 0.000 A 17 PHE H H 1 8.183 0.000 A 17 PHE HA H 1 3.899 0.000 A 17 PHE HBy H 1 2.754 0.000 A 17 PHE HBx H 1 2.639 0.000 A 17 PHE HD1 H 1 5.669 0.000 A 17 PHE HD2 H 1 5.669 0.000 A 17 PHE HE1 H 1 6.418 0.000 A 17 PHE HE2 H 1 6.418 0.000 A 17 PHE HZ H 1 6.699 0.000 A 17 PHE CA C 13 60.456 0.000 A 17 PHE CB C 13 38.825 0.007 A 17 PHE CD1 C 13 131.028 0.000 A 17 PHE CD2 C 13 131.028 0.000 A 17 PHE CE1 C 13 130.210 0.000 A 17 PHE CE2 C 13 130.210 0.000 A 17 PHE CZ C 13 128.147 0.000 A 17 PHE N N 15 121.088 0.000 A 18 LEU H H 1 8.121 0.000 A 18 LEU HA H 1 3.597 0.000 A 18 LEU HBy H 1 1.863 0.000 A 18 LEU HBx H 1 1.432 0.000 A 18 LEU HDx% H 1 1.002 0.000 A 18 LEU HDy% H 1 0.768 0.000 A 18 LEU HG H 1 1.866 0.000 A 18 LEU CA C 13 58.072 0.000 A 18 LEU CB C 13 40.915 0.000 A 18 LEU CDy C 13 26.081 0.000 A 18 LEU CDx C 13 23.233 0.000 A 18 LEU CG C 13 26.678 0.000 A 18 LEU N N 15 120.700 0.000 A 19 GLU H H 1 8.116 0.000 A 19 GLU HA H 1 3.914 0.000 A 19 GLU HB2 H 1 2.059 0.000 A 19 GLU HB3 H 1 2.059 0.000 A 19 GLU HGy H 1 2.352 0.000 A 19 GLU HGx H 1 2.285 0.000 A 19 GLU CA C 13 59.369 0.000 A 19 GLU CB C 13 29.409 0.000 A 19 GLU CG C 13 36.138 0.007 A 19 GLU N N 15 118.358 0.000 A 20 TYR H H 1 7.623 0.000 A 20 TYR HA H 1 4.172 0.000 A 20 TYR HBy H 1 3.274 0.000 A 20 TYR HBx H 1 3.186 0.000 A 20 TYR HD1 H 1 7.135 0.000 A 20 TYR HD2 H 1 7.135 0.000 A 20 TYR HE1 H 1 6.734 0.000 A 20 TYR HE2 H 1 6.734 0.000 A 20 TYR CA C 13 61.357 0.000 A 20 TYR CB C 13 38.225 0.011 A 20 TYR CD1 C 13 133.934 0.000 A 20 TYR CD2 C 13 133.934 0.000 A 20 TYR CE1 C 13 118.131 0.000 A 20 TYR CE2 C 13 118.131 0.000 A 20 TYR N N 15 120.734 0.000 A 21 CYS H H 1 7.937 0.000 A 21 CYS HA H 1 3.494 0.000 A 21 CYS HBy H 1 2.528 0.000 A 21 CYS HBx H 1 2.122 0.000 A 21 CYS CA C 13 63.638 0.000 A 21 CYS CB C 13 26.796 0.004 A 21 CYS N N 15 116.282 0.000 A 22 ALA H H 1 7.779 0.000 A 22 ALA HA H 1 4.043 0.000 A 22 ALA HB% H 1 1.467 0.000 A 22 ALA CA C 13 53.857 0.000 A 22 ALA CB C 13 18.218 0.000 A 22 ALA N N 15 121.254 0.000 A 23 LYS H H 1 7.034 0.000 A 23 LYS HA H 1 4.221 0.000 A 23 LYS HBy H 1 1.914 0.000 A 23 LYS HBx H 1 1.664 0.000 A 23 LYS HD2 H 1 2.042 0.000 A 23 LYS HD3 H 1 2.042 0.000 A 23 LYS HE2 H 1 2.947 0.000 A 23 LYS HE3 H 1 2.947 0.000 A 23 LYS HGy H 1 1.442 0.000 A 23 LYS HGx H 1 1.394 0.000 A 23 LYS CA C 13 56.172 0.000 A 23 LYS CB C 13 31.648 0.014 A 23 LYS CD C 13 30.300 0.000 A 23 LYS CE C 13 42.097 0.000 A 23 LYS CG C 13 24.910 0.001 A 23 LYS N N 15 114.667 0.000 A 24 ASN H H 1 7.927 0.000 A 24 ASN HA H 1 5.158 0.000 A 24 ASN HBy H 1 3.011 0.000 A 24 ASN HBx H 1 2.619 0.000 A 24 ASN CA C 13 53.540 0.000 A 24 ASN CB C 13 37.538 0.004 A 24 ASN N N 15 115.442 0.000 A 25 PRO HA H 1 4.511 0.000 A 25 PRO HBy H 1 2.148 0.000 A 25 PRO HBx H 1 1.752 0.000 A 25 PRO HDx H 1 3.232 0.000 A 25 PRO HDy H 1 3.776 0.000 A 25 PRO HGx H 1 1.491 0.000 A 25 PRO HGy H 1 1.707 0.000 A 25 PRO CA C 13 62.929 0.000 A 25 PRO CB C 13 33.139 0.079 A 25 PRO CD C 13 51.058 0.010 A 25 PRO CG C 13 27.840 0.031 A 26 SER H H 1 8.470 0.000 A 26 SER HA H 1 4.789 0.000 A 26 SER HBx H 1 4.105 0.000 A 26 SER HBy H 1 4.430 0.000 A 26 SER CA C 13 58.012 0.000 A 26 SER CB C 13 64.201 0.013 A 26 SER N N 15 112.673 0.000 A 27 TYR H H 1 9.120 0.000 A 27 TYR HA H 1 3.871 0.000 A 27 TYR HBy H 1 2.902 0.000 A 27 TYR HBx H 1 2.637 0.000 A 27 TYR HD1 H 1 6.806 0.000 A 27 TYR HD2 H 1 6.806 0.000 A 27 TYR HE1 H 1 6.623 0.000 A 27 TYR HE2 H 1 6.623 0.000 A 27 TYR CA C 13 62.617 0.000 A 27 TYR CB C 13 38.678 0.010 A 27 TYR CD1 C 13 132.851 0.000 A 27 TYR CD2 C 13 132.851 0.000 A 27 TYR CE1 C 13 118.281 0.000 A 27 TYR CE2 C 13 118.281 0.000 A 27 TYR N N 15 126.207 0.000 A 28 GLU H H 1 8.967 0.000 A 28 GLU HA H 1 3.982 0.000 A 28 GLU HBy H 1 2.150 0.000 A 28 GLU HBx H 1 2.059 0.000 A 28 GLU HGy H 1 2.515 0.000 A 28 GLU HGx H 1 2.427 0.000 A 28 GLU CA C 13 60.632 0.000 A 28 GLU CB C 13 29.273 0.030 A 28 GLU CG C 13 37.390 0.004 A 28 GLU N N 15 116.909 0.000 A 29 GLU H H 1 7.804 0.000 A 29 GLU HA H 1 4.060 0.000 A 29 GLU HB2 H 1 2.177 0.000 A 29 GLU HB3 H 1 2.177 0.000 A 29 GLU HGx H 1 2.074 0.000 A 29 GLU HGy H 1 2.330 0.000 A 29 GLU CA C 13 59.279 0.000 A 29 GLU CB C 13 29.702 0.000 A 29 GLU CG C 13 35.802 0.022 A 29 GLU N N 15 119.327 0.000 A 30 ALA H H 1 8.438 0.000 A 30 ALA HA H 1 4.470 0.000 A 30 ALA HB% H 1 1.614 0.000 A 30 ALA CA C 13 55.190 0.000 A 30 ALA CB C 13 19.101 0.000 A 30 ALA N N 15 122.658 0.000 A 31 TYR H H 1 9.085 0.000 A 31 TYR HA H 1 3.989 0.000 A 31 TYR HBy H 1 2.816 0.000 A 31 TYR HBx H 1 2.628 0.000 A 31 TYR HD1 H 1 7.057 0.000 A 31 TYR HD2 H 1 7.057 0.000 A 31 TYR HE1 H 1 6.813 0.000 A 31 TYR HE2 H 1 6.813 0.000 A 31 TYR CA C 13 61.147 0.000 A 31 TYR CB C 13 37.882 0.001 A 31 TYR CD1 C 13 133.230 0.000 A 31 TYR CD2 C 13 133.230 0.000 A 31 TYR CE1 C 13 118.215 0.000 A 31 TYR CE2 C 13 118.215 0.000 A 31 TYR N N 15 120.463 0.000 A 32 LEU H H 1 7.848 0.000 A 32 LEU HA H 1 3.908 0.000 A 32 LEU HBy H 1 1.857 0.000 A 32 LEU HBx H 1 1.619 0.000 A 32 LEU HD1% H 1 0.951 0.000 A 32 LEU HD2% H 1 0.951 0.000 A 32 LEU HG H 1 1.802 0.000 A 32 LEU CA C 13 57.795 0.000 A 32 LEU CB C 13 41.922 0.025 A 32 LEU CD1 C 13 24.346 0.000 A 32 LEU CD2 C 13 24.346 0.000 A 32 LEU CG C 13 27.302 0.000 A 32 LEU N N 15 121.162 0.000 A 33 LYS H H 1 7.469 0.000 A 33 LYS HA H 1 3.840 0.000 A 33 LYS HBy H 1 1.435 0.000 A 33 LYS HBx H 1 1.113 0.000 A 33 LYS HDy H 1 1.236 0.000 A 33 LYS HDx H 1 0.947 0.000 A 33 LYS HEy H 1 2.680 0.000 A 33 LYS HEx H 1 2.502 0.000 A 33 LYS HGy H 1 0.880 0.000 A 33 LYS HGx H 1 0.233 0.000 A 33 LYS CA C 13 58.679 0.000 A 33 LYS CB C 13 33.955 0.011 A 33 LYS CD C 13 28.784 0.007 A 33 LYS CE C 13 41.640 0.054 A 33 LYS CG C 13 24.780 0.006 A 33 LYS N N 15 116.573 0.000 A 34 PHE H H 1 8.444 0.000 A 34 PHE HA H 1 4.594 0.000 A 34 PHE HBy H 1 2.948 0.000 A 34 PHE HBx H 1 2.563 0.000 A 34 PHE HD1 H 1 7.193 0.000 A 34 PHE HD2 H 1 7.193 0.000 A 34 PHE HE1 H 1 6.767 0.000 A 34 PHE HE2 H 1 6.767 0.000 A 34 PHE HZ H 1 6.977 0.000 A 34 PHE CA C 13 58.630 0.000 A 34 PHE CB C 13 41.383 0.030 A 34 PHE CD1 C 13 132.050 0.000 A 34 PHE CD2 C 13 132.050 0.000 A 34 PHE CE1 C 13 131.729 0.000 A 34 PHE CE2 C 13 131.729 0.000 A 34 PHE CZ C 13 129.266 0.000 A 34 PHE N N 15 113.880 0.000 A 35 GLY H H 1 8.334 0.000 A 35 GLY HAy H 1 3.639 0.000 A 35 GLY HAx H 1 3.037 0.000 A 35 GLY CA C 13 46.919 0.002 A 35 GLY N N 15 112.089 0.000 A 36 ASP H H 1 8.797 0.000 A 36 ASP HA H 1 4.502 0.000 A 36 ASP HBy H 1 2.865 0.000 A 36 ASP HBx H 1 2.698 0.000 A 36 ASP CA C 13 57.070 0.000 A 36 ASP CB C 13 40.315 0.007 A 36 ASP N N 15 124.385 0.000 A 37 LYS H H 1 7.779 0.000 A 37 LYS HA H 1 4.060 0.000 A 37 LYS HBy H 1 1.679 0.000 A 37 LYS HBx H 1 1.260 0.000 A 37 LYS HD2 H 1 1.337 0.000 A 37 LYS HD3 H 1 1.337 0.000 A 37 LYS HEy H 1 2.799 0.000 A 37 LYS HEx H 1 2.752 0.000 A 37 LYS HGy H 1 1.289 0.000 A 37 LYS HGx H 1 0.913 0.000 A 37 LYS CA C 13 58.967 0.000 A 37 LYS CB C 13 32.431 0.005 A 37 LYS CD C 13 28.950 0.000 A 37 LYS CE C 13 41.550 0.003 A 37 LYS CG C 13 24.880 0.066 A 37 LYS N N 15 121.254 0.000 A 38 LEU H H 1 7.606 0.000 A 38 LEU HA H 1 3.987 0.000 A 38 LEU HBy H 1 2.060 0.000 A 38 LEU HBx H 1 1.615 0.000 A 38 LEU HDx% H 1 0.942 0.000 A 38 LEU HDy% H 1 0.699 0.000 A 38 LEU HG H 1 1.706 0.000 A 38 LEU CA C 13 58.559 0.000 A 38 LEU CB C 13 42.710 0.005 A 38 LEU CDx C 13 25.588 0.000 A 38 LEU CDy C 13 25.992 0.000 A 38 LEU CG C 13 27.763 0.000 A 38 LEU N N 15 117.789 0.000 A 39 LEU H H 1 7.159 0.000 A 39 LEU HA H 1 4.304 0.000 A 39 LEU HBy H 1 1.956 0.000 A 39 LEU HBx H 1 1.771 0.000 A 39 LEU HDx% H 1 1.076 0.000 A 39 LEU HDy% H 1 0.974 0.000 A 39 LEU HG H 1 1.838 0.000 A 39 LEU CA C 13 57.708 0.000 A 39 LEU CB C 13 41.154 0.005 A 39 LEU CDy C 13 25.029 0.000 A 39 LEU CDx C 13 23.968 0.000 A 39 LEU CG C 13 28.002 0.000 A 39 LEU N N 15 117.619 0.000 A 40 GLU H H 1 7.908 0.000 A 40 GLU HA H 1 4.021 0.000 A 40 GLU HBy H 1 2.195 0.000 A 40 GLU HBx H 1 2.101 0.000 A 40 GLU HG2 H 1 2.419 0.000 A 40 GLU HG3 H 1 2.419 0.000 A 40 GLU CA C 13 59.580 0.000 A 40 GLU CB C 13 29.413 0.005 A 40 GLU CG C 13 37.002 0.000 A 40 GLU N N 15 119.748 0.000 A 41 TYR H H 1 8.366 0.000 A 41 TYR HA H 1 4.176 0.000 A 41 TYR HBx H 1 2.817 0.000 A 41 TYR HBy H 1 3.208 0.000 A 41 TYR HD1 H 1 6.916 0.000 A 41 TYR HD2 H 1 6.916 0.000 A 41 TYR HE1 H 1 6.618 0.000 A 41 TYR HE2 H 1 6.618 0.000 A 41 TYR CA C 13 62.020 0.000 A 41 TYR CB C 13 38.120 0.012 A 41 TYR CD1 C 13 132.512 0.000 A 41 TYR CD2 C 13 132.512 0.000 A 41 TYR CE1 C 13 118.125 0.000 A 41 TYR CE2 C 13 118.125 0.000 A 41 TYR N N 15 117.674 0.000 A 42 GLU H H 1 8.362 0.000 A 42 GLU HA H 1 4.399 0.000 A 42 GLU HBx H 1 2.208 0.000 A 42 GLU HBy H 1 2.356 0.000 A 42 GLU HGy H 1 2.508 0.000 A 42 GLU HGx H 1 2.225 0.000 A 42 GLU CA C 13 59.876 0.000 A 42 GLU CB C 13 30.258 0.027 A 42 GLU CG C 13 36.948 0.008 A 42 GLU N N 15 123.092 0.000 A 43 LEU H H 1 8.491 0.000 A 43 LEU HA H 1 4.179 0.000 A 43 LEU HBy H 1 1.956 0.000 A 43 LEU HBx H 1 1.709 0.000 A 43 LEU HD1% H 1 0.918 0.000 A 43 LEU HD2% H 1 0.918 0.000 A 43 LEU HG H 1 1.797 0.000 A 43 LEU CA C 13 58.339 0.000 A 43 LEU CB C 13 41.656 0.010 A 43 LEU CD1 C 13 23.962 0.000 A 43 LEU CD2 C 13 23.962 0.000 A 43 LEU CG C 13 27.098 0.000 A 43 LEU N N 15 124.056 0.000 A 44 LEU H H 1 7.762 0.000 A 44 LEU HA H 1 4.289 0.000 A 44 LEU HBy H 1 1.854 0.000 A 44 LEU HBx H 1 1.609 0.000 A 44 LEU HDx% H 1 0.849 0.000 A 44 LEU HDy% H 1 0.693 0.000 A 44 LEU HG H 1 1.674 0.000 A 44 LEU CA C 13 55.398 0.000 A 44 LEU CB C 13 41.651 0.020 A 44 LEU CDx C 13 22.284 0.000 A 44 LEU CDy C 13 25.554 0.000 A 44 LEU CG C 13 29.115 0.000 A 44 LEU N N 15 116.001 0.000 A 45 GLY H H 1 7.992 0.000 A 45 GLY HAy H 1 4.148 0.000 A 45 GLY HAx H 1 3.991 0.000 A 45 GLY CA C 13 45.716 0.000 A 45 GLY N N 15 107.333 0.000 A 46 LYS H H 1 8.072 0.000 A 46 LYS HA H 1 4.318 0.000 A 46 LYS HBy H 1 1.991 0.000 A 46 LYS HBx H 1 1.815 0.000 A 46 LYS HD2 H 1 1.385 0.000 A 46 LYS HD3 H 1 1.385 0.000 A 46 LYS HE2 H 1 2.855 0.000 A 46 LYS HE3 H 1 2.855 0.000 A 46 LYS HGy H 1 1.434 0.000 A 46 LYS HGx H 1 1.387 0.000 A 46 LYS CA C 13 57.769 0.000 A 46 LYS CB C 13 34.704 0.004 A 46 LYS CD C 13 24.781 0.000 A 46 LYS CE C 13 42.112 0.000 A 46 LYS CG C 13 26.345 0.002 A 46 LYS N N 15 115.963 0.000 A 47 ILE H H 1 7.297 0.000 A 47 ILE HA H 1 5.113 0.000 A 47 ILE HB H 1 1.889 0.000 A 47 ILE HD1% H 1 1.057 0.000 A 47 ILE HG1y H 1 1.237 0.000 A 47 ILE HG1x H 1 0.879 0.000 A 47 ILE HG2% H 1 0.894 0.000 A 47 ILE CA C 13 58.188 0.000 A 47 ILE CB C 13 42.686 0.000 A 47 ILE CD1 C 13 15.076 0.000 A 47 ILE CG1 C 13 25.938 0.026 A 47 ILE CG2 C 13 19.413 0.000 A 47 ILE N N 15 109.700 0.000 A 48 LYS H H 1 9.133 0.000 A 48 LYS HA H 1 4.700 0.000 A 48 LYS HBy H 1 1.682 0.000 A 48 LYS HBx H 1 1.571 0.000 A 48 LYS HD2 H 1 1.373 0.000 A 48 LYS HD3 H 1 1.373 0.000 A 48 LYS HE2 H 1 2.849 0.000 A 48 LYS HE3 H 1 2.849 0.000 A 48 LYS HGy H 1 1.245 0.000 A 48 LYS HGx H 1 1.177 0.000 A 48 LYS CA C 13 54.683 0.000 A 48 LYS CB C 13 36.355 0.000 A 48 LYS CD C 13 29.227 0.000 A 48 LYS CE C 13 41.982 0.000 A 48 LYS CG C 13 24.770 0.005 A 48 LYS N N 15 119.903 0.000 A 49 ARG H H 1 8.677 0.000 A 49 ARG HA H 1 5.027 0.000 A 49 ARG HBx H 1 1.536 0.000 A 49 ARG HBy H 1 1.718 0.000 A 49 ARG HD2 H 1 2.510 0.000 A 49 ARG HD3 H 1 2.510 0.000 A 49 ARG HG2 H 1 1.279 0.000 A 49 ARG HG3 H 1 1.279 0.000 A 49 ARG CA C 13 55.043 0.000 A 49 ARG CB C 13 31.720 0.001 A 49 ARG CD C 13 43.361 0.001 A 49 ARG CG C 13 27.122 0.000 A 49 ARG N N 15 122.344 0.000 A 50 ILE H H 1 8.743 0.000 A 50 ILE HA H 1 4.195 0.000 A 50 ILE HB H 1 1.666 0.000 A 50 ILE HD1% H 1 0.754 0.000 A 50 ILE HG1y H 1 1.346 0.000 A 50 ILE HG1x H 1 0.987 0.000 A 50 ILE HG2% H 1 0.818 0.000 A 50 ILE CA C 13 60.194 0.000 A 50 ILE CB C 13 39.292 0.000 A 50 ILE CD1 C 13 13.275 0.000 A 50 ILE CG1 C 13 26.887 0.004 A 50 ILE CG2 C 13 17.244 0.000 A 50 ILE N N 15 126.424 0.000 A 51 ASN H H 1 9.200 0.000 A 51 ASN HA H 1 4.084 0.000 A 51 ASN HBy H 1 3.016 0.000 A 51 ASN HBx H 1 2.899 0.000 A 51 ASN CA C 13 55.472 0.000 A 51 ASN CB C 13 37.307 0.007 A 51 ASN N N 15 125.109 0.000 A 52 HIS H H 1 8.247 0.000 A 52 HIS HA H 1 4.354 0.000 A 52 HIS HBy H 1 3.097 0.000 A 52 HIS HBx H 1 3.030 0.000 A 52 HIS CA C 13 57.044 0.000 A 52 HIS CB C 13 30.132 0.008 A 52 HIS N N 15 121.951 0.000 A 53 ILE H H 1 8.278 0.000 A 53 ILE HA H 1 4.930 0.000 A 53 ILE HB H 1 1.860 0.000 A 53 ILE HD1% H 1 0.776 0.000 A 53 ILE HG12 H 1 1.375 0.000 A 53 ILE HG13 H 1 1.375 0.000 A 53 ILE HG2% H 1 0.754 0.000 A 53 ILE CA C 13 60.192 0.000 A 53 ILE CB C 13 41.336 0.000 A 53 ILE CD1 C 13 13.285 0.000 A 53 ILE CG1 C 13 26.411 0.000 A 53 ILE CG2 C 13 17.878 0.000 A 53 ILE N N 15 119.876 0.000 A 54 VAL H H 1 8.374 0.000 A 54 VAL HA H 1 4.604 0.000 A 54 VAL HB H 1 1.901 0.000 A 54 VAL HGx% H 1 0.949 0.000 A 54 VAL HGy% H 1 0.905 0.000 A 54 VAL CA C 13 61.495 0.000 A 54 VAL CB C 13 33.725 0.000 A 54 VAL CGx C 13 22.266 0.000 A 54 VAL CGy C 13 22.430 0.000 A 54 VAL N N 15 121.809 0.000 A 55 VAL H H 1 8.535 0.000 A 55 VAL HA H 1 4.681 0.000 A 55 VAL HB H 1 2.006 0.000 A 55 VAL HGx% H 1 0.835 0.000 A 55 VAL HGy% H 1 0.700 0.000 A 55 VAL CA C 13 58.584 0.000 A 55 VAL CB C 13 35.520 0.000 A 55 VAL CGy C 13 21.288 0.000 A 55 VAL CGx C 13 20.232 0.000 A 55 VAL N N 15 117.272 0.000 A 56 LEU H H 1 8.493 0.000 A 56 LEU HA H 1 4.343 0.000 A 56 LEU HBx H 1 1.471 0.000 A 56 LEU HBy H 1 1.522 0.000 A 56 LEU HDx% H 1 0.933 0.000 A 56 LEU HDy% H 1 0.875 0.000 A 56 LEU HG H 1 1.499 0.000 A 56 LEU CA C 13 55.397 0.000 A 56 LEU CB C 13 42.308 0.002 A 56 LEU CD1 C 13 25.530 0.004 A 56 LEU CD2 C 13 25.530 0.004 A 56 LEU CG C 13 27.239 0.000 A 56 LEU N N 15 122.311 0.000 A 57 ALA H H 1 7.670 0.000 A 57 ALA HA H 1 4.101 0.000 A 57 ALA HB% H 1 1.104 0.000 A 57 ALA CA C 13 52.652 0.000 A 57 ALA CB C 13 19.756 0.000 A 57 ALA N N 15 124.245 0.000 A 58 HIS H H 1 8.243 0.000 A 58 HIS N N 15 116.152 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . 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 _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 48 LYS N A 55 VAL O 1.0 2.9 3.3 2 2 A 55 VAL O A 48 LYS H 1.0 1.9 2.3 3 3 A 55 VAL N A 48 LYS O 1.0 2.9 3.3 4 4 A 48 LYS O A 55 VAL H 1.0 1.9 2.3 5 5 A 19 GLU N A 15 ASP O 1.0 2.9 3.3 6 6 A 15 ASP O A 19 GLU H 1.0 1.9 2.3 7 7 A 31 TYR N A 27 TYR O 1.0 2.9 3.3 8 8 A 27 TYR O A 31 TYR H 1.0 1.9 2.3 9 9 A 32 LEU N A 28 GLU O 1.0 2.9 3.3 10 10 A 28 GLU O A 32 LEU H 1.0 1.9 2.3 11 11 A 41 TYR N A 37 LYS O 1.0 2.9 3.3 12 12 A 37 LYS O A 41 TYR H 1.0 1.9 2.3 13 13 A 43 LEU N A 39 LEU O 1.0 2.9 3.3 14 14 A 39 LEU O A 43 LEU H 1.0 1.9 2.3 15 15 A 44 LEU N A 40 GLU O 1.0 2.9 3.3 16 16 A 40 GLU O A 44 LEU H 1.0 1.9 2.3 17 17 A 45 GLY N A 41 TYR O 1.0 2.9 3.3 18 18 A 41 TYR O A 45 GLY H 1.0 1.9 2.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 15 ASP C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -120.0 -20.0 PHI 2 2 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 PHE N 1.0 -100.0 0.0 PSI 3 3 A 16 GLU C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -120.0 -20.0 PHI 4 4 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 LEU N 1.0 -100.0 0.0 PSI 5 5 A 17 PHE C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -120.0 -20.0 PHI 6 6 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 GLU N 1.0 -100.0 0.0 PSI 7 7 A 18 LEU C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -120.0 -20.0 PHI 8 8 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 TYR N 1.0 -100.0 0.0 PSI 9 9 A 19 GLU C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -120.0 -20.0 PHI 10 10 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 CYS N 1.0 -100.0 0.0 PSI 11 11 A 21 CYS C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -120.0 80.0 PHI 12 12 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 LYS N 1.0 -100.0 60.0 PSI 13 13 A 23 LYS C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -120.0 -20.0 PHI 14 14 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 PRO N 1.0 -100.0 0.0 PSI 15 15 A 26 SER C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -120.0 -20.0 PHI 16 16 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 GLU N 1.0 -100.0 0.0 PSI 17 17 A 27 TYR C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -120.0 -20.0 PHI 18 18 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 GLU N 1.0 -100.0 0.0 PSI 19 19 A 28 GLU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -120.0 -20.0 PHI 20 20 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 ALA N 1.0 -100.0 0.0 PSI 21 21 A 29 GLU C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -120.0 -20.0 PHI 22 22 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 TYR N 1.0 -100.0 0.0 PSI 23 23 A 30 ALA C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -120.0 -20.0 PHI 24 24 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 LEU N 1.0 -100.0 0.0 PSI 25 25 A 31 TYR C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -120.0 -20.0 PHI 26 26 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 LYS N 1.0 -100.0 0.0 PSI 27 27 A 32 LEU C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -120.0 -20.0 PHI 28 28 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 PHE N 1.0 -100.0 0.0 PSI 29 29 A 35 GLY C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -120.0 -20.0 PHI 30 30 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 LYS N 1.0 -100.0 0.0 PSI 31 31 A 36 ASP C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -120.0 -20.0 PHI 32 32 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 LEU N 1.0 -100.0 0.0 PSI 33 33 A 37 LYS C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -120.0 -20.0 PHI 34 34 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 LEU N 1.0 -100.0 0.0 PSI 35 35 A 38 LEU C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -120.0 -20.0 PHI 36 36 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 GLU N 1.0 -100.0 0.0 PSI 37 37 A 39 LEU C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -120.0 -20.0 PHI 38 38 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 TYR N 1.0 -100.0 0.0 PSI 39 39 A 40 GLU C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -120.0 -20.0 PHI 40 40 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 GLU N 1.0 -100.0 0.0 PSI 41 41 A 41 TYR C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -120.0 -20.0 PHI 42 42 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 LEU N 1.0 -100.0 0.0 PSI 43 43 A 42 GLU C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -120.0 -20.0 PHI 44 44 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LEU N 1.0 -100.0 0.0 PSI 45 45 A 46 LYS C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -200.0 -80.0 PHI 46 46 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 LYS N 1.0 40.0 220.0 PSI 47 47 A 47 ILE C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -200.0 -80.0 PHI 48 48 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ARG N 1.0 40.0 220.0 PSI 49 49 A 50 ILE C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -120.0 -20.0 PHI 50 50 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 HIS N 1.0 -100.0 0.0 PSI 51 51 A 54 VAL C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -200.0 -80.0 PHI 52 52 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 LEU N 1.0 40.0 220.0 PSI stop_ save_