data_nef_c34113_5nce 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 PDB 5NCE 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 3 CYS SG 1 49 CYS SG 1 14 CYS SG 1 34 CYS SG 1 20 CYS SG 1 43 CYS SG 1 24 CYS SG 1 45 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 ARG start . . 2 A 2 MET middle . . 3 A 3 CYS middle -HG . 4 A 4 LYS middle . . 5 A 5 THR middle . . 6 A 6 PRO middle . false 7 A 7 SER middle . . 8 A 8 GLY middle . false 9 A 9 LYS middle . . 10 A 10 PHE middle . . 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 TYR middle . . 14 A 14 CYS middle -HG . 15 A 15 VAL middle . . 16 A 16 ASN middle . . 17 A 17 ASN middle . . 18 A 18 THR middle . . 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 LYS middle . . 22 A 22 ASN middle . . 23 A 23 VAL middle . . 24 A 24 CYS middle -HG . 25 A 25 ARG middle . . 26 A 26 THR middle . . 27 A 27 GLU middle . . 28 A 28 GLY middle . false 29 A 29 PHE middle . . 30 A 30 PRO middle . false 31 A 31 THR middle . . 32 A 32 GLY middle . false 33 A 33 SER middle . . 34 A 34 CYS middle -HG . 35 A 35 ASP middle . . 36 A 36 PHE middle . . 37 A 37 HIS middle . . 38 A 38 VAL middle . . 39 A 39 ALA middle . . 40 A 40 GLY middle . false 41 A 41 ARG middle . . 42 A 42 LYS middle . . 43 A 43 CYS middle -HG . 44 A 44 TYR middle . . 45 A 45 CYS middle -HG . 46 A 46 TYR middle . . 47 A 47 LYS middle . . 48 A 48 PRO 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 1 ARG HA H 1 4.109 0.020 A 1 ARG HBx H 1 1.979 0.020 A 1 ARG HBy H 1 1.979 0.020 A 1 ARG HDx H 1 3.241 0.020 A 1 ARG HDy H 1 3.241 0.020 A 1 ARG HE H 1 7.319 0.020 A 1 ARG HGx H 1 1.682 0.020 A 1 ARG HGy H 1 1.682 0.020 A 1 ARG C C 13 172.212 0.400 A 1 ARG CA C 13 55.883 0.400 A 1 ARG CB C 13 31.196 0.400 A 1 ARG CD C 13 43.471 0.400 A 1 ARG CG C 13 26.907 0.400 A 1 ARG NE N 15 89.009 0.400 A 2 MET H H 1 8.746 0.020 A 2 MET HA H 1 5.101 0.020 A 2 MET HB2 H 1 2.044 0.020 A 2 MET HB3 H 1 1.831 0.020 A 2 MET HG2 H 1 2.515 0.020 A 2 MET HG3 H 1 2.571 0.020 A 2 MET C C 13 175.649 0.400 A 2 MET CA C 13 54.349 0.400 A 2 MET CB C 13 34.238 0.400 A 2 MET CG C 13 32.547 0.400 A 2 MET N N 15 121.109 0.400 A 3 CYS H H 1 9.312 0.020 A 3 CYS HA H 1 4.989 0.020 A 3 CYS HB2 H 1 3.064 0.020 A 3 CYS HB3 H 1 2.932 0.020 A 3 CYS C C 13 173.476 0.400 A 3 CYS CA C 13 60.158 0.400 A 3 CYS CB C 13 39.492 0.400 A 3 CYS N N 15 124.616 0.400 A 4 LYS H H 1 8.553 0.020 A 4 LYS HA H 1 4.841 0.020 A 4 LYS HB2 H 1 1.152 0.020 A 4 LYS HB3 H 1 1.205 0.020 A 4 LYS HD2 H 1 0.993 0.020 A 4 LYS HD3 H 1 1.169 0.020 A 4 LYS HE2 H 1 2.236 0.020 A 4 LYS HE3 H 1 2.241 0.020 A 4 LYS HG2 H 1 0.696 0.020 A 4 LYS HG3 H 1 0.907 0.020 A 4 LYS C C 13 175.639 0.400 A 4 LYS CA C 13 54.759 0.400 A 4 LYS CB C 13 35.806 0.400 A 4 LYS CD C 13 29.839 0.400 A 4 LYS CE C 13 41.468 0.400 A 4 LYS CG C 13 23.901 0.400 A 4 LYS N N 15 123.715 0.400 A 5 THR H H 1 8.889 0.020 A 5 THR HA H 1 4.818 0.020 A 5 THR HB H 1 3.608 0.020 A 5 THR HG2% H 1 1.109 0.020 A 5 THR C C 13 170.679 0.400 A 5 THR CA C 13 59.349 0.400 A 5 THR CB C 13 72.823 0.400 A 5 THR CG2 C 13 20.706 0.400 A 5 THR N N 15 120.718 0.400 A 6 PRO HA H 1 3.823 0.020 A 6 PRO HB2 H 1 1.829 0.020 A 6 PRO HB3 H 1 1.703 0.020 A 6 PRO HDx H 1 3.828 0.020 A 6 PRO HDy H 1 3.828 0.020 A 6 PRO HG2 H 1 1.841 0.020 A 6 PRO HG3 H 1 2.078 0.020 A 6 PRO CA C 13 63.185 0.400 A 6 PRO CB C 13 31.588 0.400 A 6 PRO CD C 13 51.121 0.400 A 6 PRO CG C 13 27.606 0.400 A 7 SER H H 1 7.838 0.020 A 7 SER HA H 1 4.290 0.020 A 7 SER HB2 H 1 3.359 0.020 A 7 SER HB3 H 1 3.859 0.020 A 7 SER C C 13 177.291 0.400 A 7 SER CA C 13 58.776 0.400 A 7 SER CB C 13 63.681 0.400 A 7 SER N N 15 116.918 0.400 A 8 GLY H H 1 10.629 0.020 A 8 GLY HA2 H 1 4.223 0.020 A 8 GLY HA3 H 1 3.735 0.020 A 8 GLY C C 13 174.876 0.400 A 8 GLY CA C 13 45.574 0.400 A 8 GLY N N 15 119.990 0.400 A 9 LYS H H 1 7.948 0.020 A 9 LYS HA H 1 4.329 0.020 A 9 LYS HB2 H 1 1.536 0.020 A 9 LYS HB3 H 1 1.677 0.020 A 9 LYS HDx H 1 1.592 0.020 A 9 LYS HDy H 1 1.592 0.020 A 9 LYS HEx H 1 2.952 0.020 A 9 LYS HEy H 1 2.952 0.020 A 9 LYS HG2 H 1 1.258 0.020 A 9 LYS HG3 H 1 1.353 0.020 A 9 LYS C C 13 176.653 0.400 A 9 LYS CA C 13 56.225 0.400 A 9 LYS CB C 13 34.839 0.400 A 9 LYS CD C 13 29.142 0.400 A 9 LYS CE C 13 42.166 0.400 A 9 LYS CG C 13 25.348 0.400 A 9 LYS N N 15 119.077 0.400 A 10 PHE H H 1 8.153 0.020 A 10 PHE HA H 1 4.060 0.020 A 10 PHE HB2 H 1 2.914 0.020 A 10 PHE HB3 H 1 2.988 0.020 A 10 PHE HDx H 1 7.073 0.020 A 10 PHE HDy H 1 7.073 0.020 A 10 PHE HEx H 1 6.959 0.020 A 10 PHE HEy H 1 6.959 0.020 A 10 PHE HZ H 1 7.518 0.020 A 10 PHE CA C 13 59.655 0.400 A 10 PHE CB C 13 39.012 0.400 A 10 PHE CD1 C 13 132.443 0.400 A 10 PHE CE2 C 13 130.738 0.400 A 10 PHE CZ C 13 130.635 0.400 A 10 PHE N N 15 122.302 0.400 A 11 LYS H H 1 7.856 0.020 A 11 LYS HA H 1 4.444 0.020 A 11 LYS HB2 H 1 1.511 0.020 A 11 LYS HB3 H 1 1.649 0.020 A 11 LYS HD2 H 1 1.511 0.020 A 11 LYS HD3 H 1 1.560 0.020 A 11 LYS HEx H 1 2.913 0.020 A 11 LYS HEy H 1 2.913 0.020 A 11 LYS HG2 H 1 1.257 0.020 A 11 LYS HG3 H 1 1.307 0.020 A 11 LYS C C 13 173.350 0.400 A 11 LYS CA C 13 55.220 0.400 A 11 LYS CB C 13 34.195 0.400 A 11 LYS CD C 13 28.879 0.400 A 11 LYS CE C 13 42.213 0.400 A 11 LYS CG C 13 24.461 0.400 A 11 LYS N N 15 127.915 0.400 A 12 GLY H H 1 7.993 0.020 A 12 GLY HA2 H 1 3.954 0.020 A 12 GLY HA3 H 1 3.686 0.020 A 12 GLY C C 13 175.541 0.400 A 12 GLY CA C 13 44.102 0.400 A 13 TYR H H 1 8.254 0.020 A 13 TYR HA H 1 4.665 0.020 A 13 TYR HB2 H 1 3.017 0.020 A 13 TYR HB3 H 1 2.914 0.020 A 13 TYR HDx H 1 7.173 0.020 A 13 TYR HDy H 1 7.173 0.020 A 13 TYR HEx H 1 6.836 0.020 A 13 TYR HEy H 1 6.836 0.020 A 13 TYR CA C 13 57.787 0.400 A 13 TYR CB C 13 38.713 0.400 A 13 TYR CD1 C 13 133.039 0.400 A 13 TYR CE1 C 13 118.274 0.400 A 13 TYR N N 15 119.314 0.400 A 14 CYS H H 1 8.483 0.020 A 14 CYS HA H 1 4.692 0.020 A 14 CYS HBx H 1 2.904 0.020 A 14 CYS HBy H 1 2.904 0.020 A 14 CYS C C 13 173.121 0.400 A 14 CYS CA C 13 62.337 0.400 A 14 CYS CB C 13 38.843 0.400 A 14 CYS N N 15 125.967 0.400 A 15 VAL H H 1 8.393 0.020 A 15 VAL HA H 1 4.355 0.020 A 15 VAL HB H 1 2.265 0.020 A 15 VAL HGx% H 1 0.963 0.020 A 15 VAL HGy% H 1 0.987 0.020 A 15 VAL C C 13 174.952 0.400 A 15 VAL CA C 13 62.406 0.400 A 15 VAL CB C 13 33.735 0.400 A 15 VAL CG1 C 13 21.451 0.400 A 15 VAL CG2 C 13 20.042 0.400 A 15 VAL N N 15 121.674 0.400 A 16 ASN H H 1 8.036 0.020 A 16 ASN HA H 1 4.921 0.020 A 16 ASN HB2 H 1 2.826 0.020 A 16 ASN HB3 H 1 3.073 0.020 A 16 ASN HD21 H 1 7.675 0.020 A 16 ASN HD22 H 1 6.990 0.020 A 16 ASN C C 13 176.455 0.400 A 16 ASN CA C 13 52.536 0.400 A 16 ASN CB C 13 40.543 0.400 A 16 ASN N N 15 119.380 0.400 A 16 ASN ND2 N 15 113.416 0.400 A 17 ASN H H 1 9.115 0.020 A 17 ASN HA H 1 4.424 0.020 A 17 ASN HB2 H 1 2.887 0.020 A 17 ASN HB3 H 1 2.978 0.020 A 17 ASN HD21 H 1 7.617 0.020 A 17 ASN HD22 H 1 6.992 0.020 A 17 ASN C C 13 177.326 0.400 A 17 ASN CA C 13 56.779 0.400 A 17 ASN CB C 13 38.893 0.400 A 17 ASN CG C 13 175.317 0.400 A 17 ASN N N 15 124.384 0.400 A 17 ASN ND2 N 15 112.570 0.400 A 18 THR H H 1 8.319 0.020 A 18 THR HA H 1 3.870 0.020 A 18 THR HB H 1 4.257 0.020 A 18 THR HG2% H 1 1.247 0.020 A 18 THR C C 13 175.476 0.400 A 18 THR CA C 13 66.857 0.400 A 18 THR CB C 13 68.408 0.400 A 18 THR CG2 C 13 22.262 0.400 A 18 THR N N 15 117.398 0.400 A 19 ASN H H 1 7.954 0.020 A 19 ASN HA H 1 4.579 0.020 A 19 ASN HB2 H 1 2.986 0.020 A 19 ASN HB3 H 1 3.070 0.020 A 19 ASN HD21 H 1 7.019 0.020 A 19 ASN HD22 H 1 7.665 0.020 A 19 ASN C C 13 175.803 0.400 A 19 ASN CA C 13 56.249 0.400 A 19 ASN CB C 13 38.191 0.400 A 19 ASN N N 15 120.001 0.400 A 19 ASN ND2 N 15 111.794 0.400 A 20 CYS H H 1 7.306 0.020 A 20 CYS HA H 1 4.464 0.020 A 20 CYS HB2 H 1 2.465 0.020 A 20 CYS HB3 H 1 2.827 0.020 A 20 CYS C C 13 174.674 0.400 A 20 CYS CA C 13 57.713 0.400 A 20 CYS CB C 13 36.109 0.400 A 20 CYS N N 15 116.869 0.400 A 21 LYS H H 1 8.508 0.020 A 21 LYS HA H 1 3.544 0.020 A 21 LYS HBx H 1 2.063 0.020 A 21 LYS HBy H 1 2.063 0.020 A 21 LYS HDx H 1 1.805 0.020 A 21 LYS HDy H 1 1.805 0.020 A 21 LYS HE2 H 1 3.056 0.020 A 21 LYS HE3 H 1 3.094 0.020 A 21 LYS HG2 H 1 1.353 0.020 A 21 LYS HG3 H 1 1.602 0.020 A 21 LYS C C 13 178.010 0.400 A 21 LYS CA C 13 60.930 0.400 A 21 LYS CB C 13 31.894 0.400 A 21 LYS CD C 13 30.051 0.400 A 21 LYS CE C 13 42.247 0.400 A 21 LYS CG C 13 25.244 0.400 A 21 LYS N N 15 121.202 0.400 A 22 ASN H H 1 8.286 0.020 A 22 ASN HA H 1 4.465 0.020 A 22 ASN HB2 H 1 3.018 0.020 A 22 ASN HB3 H 1 2.892 0.020 A 22 ASN HD21 H 1 7.652 0.020 A 22 ASN HD22 H 1 6.877 0.020 A 22 ASN CA C 13 56.282 0.400 A 22 ASN CB C 13 37.636 0.400 A 22 ASN CG C 13 175.779 0.400 A 22 ASN N N 15 116.570 0.400 A 22 ASN ND2 N 15 111.474 0.400 A 23 VAL H H 1 8.176 0.020 A 23 VAL HA H 1 3.850 0.020 A 23 VAL HB H 1 2.333 0.020 A 23 VAL HGx% H 1 1.061 0.020 A 23 VAL HGy% H 1 1.181 0.020 A 23 VAL C C 13 180.054 0.400 A 23 VAL CA C 13 67.010 0.400 A 23 VAL CB C 13 31.908 0.400 A 23 VAL CG1 C 13 22.451 0.400 A 23 VAL CG2 C 13 23.418 0.400 A 23 VAL N N 15 122.323 0.400 A 24 CYS H H 1 9.012 0.020 A 24 CYS HA H 1 4.596 0.020 A 24 CYS HB2 H 1 2.890 0.020 A 24 CYS HB3 H 1 2.613 0.020 A 24 CYS CA C 13 59.830 0.400 A 24 CYS CB C 13 37.402 0.400 A 24 CYS N N 15 121.525 0.400 A 25 ARG H H 1 8.392 0.020 A 25 ARG HA H 1 5.100 0.020 A 25 ARG HBx H 1 2.058 0.020 A 25 ARG HBy H 1 2.058 0.020 A 25 ARG HD2 H 1 3.236 0.020 A 25 ARG HD3 H 1 3.307 0.020 A 25 ARG HE H 1 7.180 0.020 A 25 ARG HGx H 1 1.854 0.020 A 25 ARG HGy H 1 1.854 0.020 A 25 ARG C C 13 181.334 0.400 A 25 ARG CA C 13 59.352 0.400 A 25 ARG CB C 13 29.706 0.400 A 25 ARG CD C 13 43.768 0.400 A 25 ARG CG C 13 27.871 0.400 A 25 ARG N N 15 121.674 0.400 A 25 ARG NE N 15 89.623 0.400 A 26 THR H H 1 7.949 0.020 A 26 THR HA H 1 4.431 0.020 A 26 THR HB H 1 4.476 0.020 A 26 THR HG2% H 1 1.456 0.020 A 26 THR C C 13 175.520 0.400 A 26 THR CA C 13 64.816 0.400 A 26 THR CB C 13 69.287 0.400 A 26 THR CG2 C 13 21.886 0.400 A 26 THR N N 15 114.053 0.400 A 27 GLU H H 1 7.733 0.020 A 27 GLU HA H 1 4.481 0.020 A 27 GLU HB2 H 1 2.621 0.020 A 27 GLU HB3 H 1 2.654 0.020 A 27 GLU HG2 H 1 2.207 0.020 A 27 GLU HG3 H 1 2.542 0.020 A 27 GLU C C 13 175.770 0.400 A 27 GLU CA C 13 56.780 0.400 A 27 GLU CB C 13 31.349 0.400 A 27 GLU CG C 13 38.250 0.400 A 27 GLU N N 15 120.826 0.400 A 28 GLY H H 1 7.749 0.020 A 28 GLY HA2 H 1 3.697 0.020 A 28 GLY HA3 H 1 4.129 0.020 A 28 GLY C C 13 174.037 0.400 A 28 GLY CA C 13 45.312 0.400 A 28 GLY N N 15 105.459 0.400 A 29 PHE H H 1 8.152 0.020 A 29 PHE HA H 1 4.976 0.020 A 29 PHE HB2 H 1 2.656 0.020 A 29 PHE HB3 H 1 3.513 0.020 A 29 PHE HDx H 1 7.210 0.020 A 29 PHE HDy H 1 7.210 0.020 A 29 PHE HEx H 1 7.317 0.020 A 29 PHE HEy H 1 7.317 0.020 A 29 PHE HZ H 1 7.256 0.020 A 29 PHE C C 13 175.799 0.400 A 29 PHE CA C 13 55.441 0.400 A 29 PHE CB C 13 40.397 0.400 A 29 PHE CD1 C 13 132.266 0.400 A 29 PHE CE1 C 13 132.004 0.400 A 29 PHE CZ C 13 130.455 0.400 A 29 PHE N N 15 120.249 0.400 A 30 PRO HA H 1 4.500 0.020 A 30 PRO HB2 H 1 2.419 0.020 A 30 PRO HB3 H 1 2.048 0.020 A 30 PRO HD2 H 1 4.812 0.020 A 30 PRO HD3 H 1 3.910 0.020 A 30 PRO HGx H 1 2.264 0.020 A 30 PRO HGy H 1 2.264 0.020 A 30 PRO C C 13 176.977 0.400 A 30 PRO CA C 13 64.211 0.400 A 30 PRO CB C 13 32.432 0.400 A 30 PRO CD C 13 50.365 0.400 A 30 PRO CG C 13 27.849 0.400 A 31 THR H H 1 7.406 0.020 A 31 THR HA H 1 4.572 0.020 A 31 THR HB H 1 4.216 0.020 A 31 THR HG2% H 1 1.003 0.020 A 31 THR C C 13 172.098 0.400 A 31 THR CA C 13 60.074 0.400 A 31 THR CB C 13 68.830 0.400 A 31 THR CG2 C 13 19.696 0.400 A 31 THR N N 15 107.973 0.400 A 32 GLY H H 1 7.930 0.020 A 32 GLY HA2 H 1 4.926 0.020 A 32 GLY HA3 H 1 4.298 0.020 A 32 GLY C C 13 170.558 0.400 A 32 GLY CA C 13 46.844 0.400 A 32 GLY N N 15 108.438 0.400 A 33 SER H H 1 9.342 0.020 A 33 SER HA H 1 4.296 0.020 A 33 SER HB2 H 1 3.695 0.020 A 33 SER HB3 H 1 3.796 0.020 A 33 SER C C 13 173.579 0.400 A 33 SER CA C 13 58.528 0.400 A 33 SER CB C 13 65.332 0.400 A 33 SER N N 15 112.871 0.400 A 34 CYS H H 1 8.648 0.020 A 34 CYS HA H 1 5.178 0.020 A 34 CYS HBx H 1 2.576 0.020 A 34 CYS HBy H 1 2.576 0.020 A 34 CYS C C 13 174.724 0.400 A 34 CYS CA C 13 52.950 0.400 A 34 CYS CB C 13 37.303 0.400 A 34 CYS N N 15 121.829 0.400 A 35 ASP H H 1 8.829 0.020 A 35 ASP HA H 1 4.882 0.020 A 35 ASP HB2 H 1 2.634 0.020 A 35 ASP HB3 H 1 2.812 0.020 A 35 ASP C C 13 175.737 0.400 A 35 ASP CA C 13 53.340 0.400 A 35 ASP CB C 13 42.829 0.400 A 35 ASP CG C 13 179.351 0.400 A 35 ASP N N 15 123.984 0.400 A 36 PHE H H 1 8.552 0.020 A 36 PHE HA H 1 4.466 0.020 A 36 PHE HB2 H 1 2.881 0.020 A 36 PHE HB3 H 1 3.103 0.020 A 36 PHE HDx H 1 7.151 0.020 A 36 PHE HDy H 1 7.151 0.020 A 36 PHE HEx H 1 7.291 0.020 A 36 PHE HEy H 1 7.291 0.020 A 36 PHE HZ H 1 7.178 0.020 A 36 PHE C C 13 175.836 0.400 A 36 PHE CA C 13 58.796 0.400 A 36 PHE CB C 13 39.234 0.400 A 36 PHE CD1 C 13 131.431 0.400 A 36 PHE CE2 C 13 131.552 0.400 A 36 PHE CZ C 13 129.918 0.400 A 36 PHE N N 15 121.324 0.400 A 37 HIS H H 1 8.233 0.020 A 37 HIS HA H 1 4.554 0.020 A 37 HIS HB2 H 1 3.323 0.020 A 37 HIS HB3 H 1 3.199 0.020 A 37 HIS HD2 H 1 7.275 0.020 A 37 HIS HE1 H 1 8.437 0.020 A 37 HIS C C 13 174.115 0.400 A 37 HIS CA C 13 56.462 0.400 A 37 HIS CB C 13 29.978 0.400 A 37 HIS CD2 C 13 119.986 0.400 A 37 HIS CE1 C 13 136.893 0.400 A 37 HIS N N 15 121.634 0.400 A 38 VAL H H 1 7.914 0.020 A 38 VAL HA H 1 3.833 0.020 A 38 VAL HB H 1 2.139 0.020 A 38 VAL HGx% H 1 0.815 0.020 A 38 VAL HGy% H 1 0.916 0.020 A 38 VAL C C 13 175.861 0.400 A 38 VAL CA C 13 64.016 0.400 A 38 VAL CB C 13 32.142 0.400 A 38 VAL CG1 C 13 20.711 0.400 A 38 VAL CG2 C 13 21.049 0.400 A 38 VAL N N 15 120.453 0.400 A 39 ALA H H 1 8.666 0.020 A 39 ALA HA H 1 4.334 0.020 A 39 ALA HB% H 1 1.429 0.020 A 39 ALA C C 13 177.559 0.400 A 39 ALA CA C 13 53.174 0.400 A 39 ALA CB C 13 18.866 0.400 A 39 ALA N N 15 125.729 0.400 A 40 GLY H H 1 7.979 0.020 A 40 GLY HA2 H 1 3.831 0.020 A 40 GLY HA3 H 1 4.022 0.020 A 40 GLY C C 13 173.023 0.400 A 40 GLY CA C 13 45.437 0.400 A 40 GLY N N 15 108.297 0.400 A 41 ARG H H 1 8.109 0.020 A 41 ARG HA H 1 4.489 0.020 A 41 ARG HB2 H 1 1.692 0.020 A 41 ARG HB3 H 1 1.830 0.020 A 41 ARG HDx H 1 3.046 0.020 A 41 ARG HDy H 1 3.046 0.020 A 41 ARG HE H 1 6.974 0.020 A 41 ARG HG2 H 1 1.460 0.020 A 41 ARG HG3 H 1 1.655 0.020 A 41 ARG CA C 13 56.793 0.400 A 41 ARG CB C 13 30.960 0.400 A 41 ARG CD C 13 43.922 0.400 A 41 ARG CG C 13 27.904 0.400 A 41 ARG N N 15 119.276 0.400 A 41 ARG NE N 15 88.906 0.400 A 42 LYS H H 1 8.209 0.020 A 42 LYS HA H 1 4.497 0.020 A 42 LYS HBx H 1 1.496 0.020 A 42 LYS HBy H 1 1.496 0.020 A 42 LYS HDx H 1 1.494 0.020 A 42 LYS HDy H 1 1.494 0.020 A 42 LYS HEx H 1 2.804 0.020 A 42 LYS HEy H 1 2.804 0.020 A 42 LYS HG2 H 1 1.177 0.020 A 42 LYS HG3 H 1 1.331 0.020 A 42 LYS CA C 13 54.934 0.400 A 42 LYS CB C 13 35.864 0.400 A 42 LYS CD C 13 28.773 0.400 A 42 LYS CE C 13 42.054 0.400 A 42 LYS CG C 13 24.980 0.400 A 42 LYS N N 15 121.632 0.400 A 43 CYS H H 1 8.902 0.020 A 43 CYS HA H 1 4.667 0.020 A 43 CYS HB2 H 1 2.044 0.020 A 43 CYS HB3 H 1 1.725 0.020 A 43 CYS CA C 13 54.830 0.400 A 43 CYS CB C 13 35.822 0.400 A 43 CYS N N 15 119.719 0.400 A 44 TYR H H 1 8.534 0.020 A 44 TYR HA H 1 4.435 0.020 A 44 TYR HB2 H 1 2.865 0.020 A 44 TYR HB3 H 1 2.205 0.020 A 44 TYR HDx H 1 6.702 0.020 A 44 TYR HDy H 1 6.702 0.020 A 44 TYR HEx H 1 6.676 0.020 A 44 TYR HEy H 1 6.676 0.020 A 44 TYR CA C 13 57.523 0.400 A 44 TYR CB C 13 41.338 0.400 A 44 TYR CD1 C 13 132.737 0.400 A 44 TYR CE1 C 13 118.181 0.400 A 44 TYR N N 15 120.265 0.400 A 45 CYS H H 1 8.744 0.020 A 45 CYS HA H 1 5.192 0.020 A 45 CYS HB2 H 1 0.991 0.020 A 45 CYS HB3 H 1 2.217 0.020 A 45 CYS C C 13 174.135 0.400 A 45 CYS CA C 13 51.238 0.400 A 45 CYS CB C 13 35.871 0.400 A 45 CYS N N 15 118.501 0.400 A 46 TYR H H 1 8.133 0.020 A 46 TYR HA H 1 5.550 0.020 A 46 TYR HB2 H 1 2.562 0.020 A 46 TYR HB3 H 1 2.702 0.020 A 46 TYR HDx H 1 6.775 0.020 A 46 TYR HDy H 1 6.775 0.020 A 46 TYR HEx H 1 6.664 0.020 A 46 TYR HEy H 1 6.664 0.020 A 46 TYR C C 13 174.593 0.400 A 46 TYR CA C 13 56.430 0.400 A 46 TYR CB C 13 42.168 0.400 A 46 TYR CD1 C 13 132.357 0.400 A 46 TYR CE1 C 13 118.510 0.400 A 46 TYR N N 15 119.783 0.400 A 47 LYS H H 1 8.533 0.020 A 47 LYS HA H 1 4.938 0.020 A 47 LYS HB2 H 1 2.046 0.020 A 47 LYS HB3 H 1 2.110 0.020 A 47 LYS HD2 H 1 1.547 0.020 A 47 LYS HD3 H 1 1.591 0.020 A 47 LYS HE2 H 1 2.852 0.020 A 47 LYS HE3 H 1 2.896 0.020 A 47 LYS HG2 H 1 1.430 0.020 A 47 LYS HG3 H 1 1.662 0.020 A 47 LYS C C 13 172.520 0.400 A 47 LYS CA C 13 53.861 0.400 A 47 LYS CB C 13 35.001 0.400 A 47 LYS CD C 13 29.823 0.400 A 47 LYS CE C 13 42.128 0.400 A 47 LYS CG C 13 22.932 0.400 A 47 LYS N N 15 115.910 0.400 A 48 PRO HA H 1 5.038 0.020 A 48 PRO HB2 H 1 2.394 0.020 A 48 PRO HB3 H 1 1.910 0.020 A 48 PRO HD2 H 1 3.812 0.020 A 48 PRO HD3 H 1 3.718 0.020 A 48 PRO HG2 H 1 2.194 0.020 A 48 PRO HG3 H 1 1.991 0.020 A 48 PRO C C 13 176.587 0.400 A 48 PRO CA C 13 63.770 0.400 A 48 PRO CB C 13 31.951 0.400 A 48 PRO CD C 13 51.094 0.400 A 48 PRO CG C 13 28.195 0.400 A 49 CYS H H 1 8.693 0.020 A 49 CYS HA H 1 4.981 0.020 A 49 CYS HB2 H 1 3.339 0.020 A 49 CYS HB3 H 1 3.129 0.020 A 49 CYS C C 13 170.894 0.400 A 49 CYS CA C 13 53.514 0.400 A 49 CYS CB C 13 42.184 0.400 A 49 CYS N N 15 121.441 0.400 A 50 PRO HA H 1 4.234 0.020 A 50 PRO HB2 H 1 1.892 0.020 A 50 PRO HB3 H 1 2.257 0.020 A 50 PRO HD2 H 1 3.682 0.020 A 50 PRO HD3 H 1 3.747 0.020 A 50 PRO HG2 H 1 1.969 0.020 A 50 PRO HG3 H 1 2.044 0.020 A 50 PRO C C 13 181.984 0.400 A 50 PRO CA C 13 65.147 0.400 A 50 PRO CB C 13 32.009 0.400 A 50 PRO CD C 13 50.404 0.400 A 50 PRO CG C 13 27.498 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 3 CYS SG A 49 CYS SG 1.0 . 2.0 2 2 A 3 CYS SG A 49 CYS CB 1.0 . 3.0 3 3 A 49 CYS SG A 3 CYS CB 1.0 . 3.0 4 4 A 14 CYS SG A 34 CYS SG 1.0 . 2.0 5 5 A 14 CYS SG A 34 CYS CB 1.0 . 3.0 6 6 A 34 CYS SG A 14 CYS CB 1.0 . 3.0 7 7 A 20 CYS SG A 43 CYS SG 1.0 . 2.0 8 8 A 20 CYS SG A 43 CYS CB 1.0 . 3.0 9 9 A 43 CYS SG A 20 CYS CB 1.0 . 3.0 10 10 A 24 CYS SG A 45 CYS SG 1.0 . 2.0 11 11 A 24 CYS SG A 45 CYS CB 1.0 . 3.0 12 12 A 45 CYS SG A 24 CYS CB 1.0 . 3.0 13 13 A 3 CYS SG A 49 CYS SG 1.0 . 2.1 14 14 A 3 CYS SG A 49 CYS CB 1.0 . 3.1 15 15 A 49 CYS SG A 3 CYS CB 1.0 . 3.1 16 16 A 14 CYS SG A 34 CYS SG 1.0 . 2.1 17 17 A 14 CYS SG A 34 CYS CB 1.0 . 3.1 18 18 A 34 CYS SG A 14 CYS CB 1.0 . 3.1 19 19 A 20 CYS SG A 43 CYS SG 1.0 . 2.1 20 20 A 20 CYS SG A 43 CYS CB 1.0 . 3.1 21 21 A 43 CYS SG A 20 CYS CB 1.0 . 3.1 22 22 A 24 CYS SG A 45 CYS SG 1.0 . 2.1 23 23 A 24 CYS SG A 45 CYS CB 1.0 . 3.1 24 24 A 45 CYS SG A 24 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 18 THR H A 16 ASN OD1 1.0 . 1.8 2 2 A 21 LYS H A 17 ASN O 1.0 . 1.8 3 3 A 17 ASN O A 21 LYS N 1.0 . 2.7 4 4 A 23 VAL H A 19 ASN O 1.0 . 1.8 5 5 A 19 ASN O A 23 VAL N 1.0 . 2.7 6 6 A 28 GLY H A 24 CYS O 1.0 . 1.8 7 7 A 24 CYS O A 28 GLY N 1.0 . 2.7 8 8 A 34 CYS H A 17 ASN OD1 1.0 . 1.8 9 9 A 35 ASP H A 42 LYS O 1.0 . 1.8 10 10 A 42 LYS O A 35 ASP N 1.0 . 2.7 11 11 A 36 PHE H A 35 ASP OD2 1.0 . 1.8 12 12 A 42 LYS H A 35 ASP O 1.0 . 1.8 13 13 A 35 ASP O A 42 LYS N 1.0 . 2.7 14 14 A 44 TYR H A 33 SER O 1.0 . 1.8 15 15 A 33 SER O A 44 TYR N 1.0 . 2.7 16 16 A 49 CYS H A 1 ARG O 1.0 . 1.8 17 17 A 1 ARG O A 49 CYS N 1.0 . 2.7 18 18 A 20 CYS O A 24 CYS H 1.0 . 1.8 19 19 A 20 CYS O A 24 CYS N 1.0 . 2.7 20 20 A 21 LYS O A 25 ARG H 1.0 . 1.8 21 21 A 21 LYS O A 25 ARG N 1.0 . 2.7 22 22 A 22 ASN O A 26 THR H 1.0 . 1.8 23 23 A 22 ASN O A 26 THR N 1.0 . 2.7 24 24 A 23 VAL O A 27 GLU N 1.0 . 2.7 25 25 A 24 CYS O A 29 PHE H 1.0 . 1.8 26 26 A 24 CYS O A 29 PHE N 1.0 . 2.7 27 27 A 33 SER H A 44 TYR O 1.0 . 1.8 28 28 A 44 TYR O A 33 SER N 1.0 . 2.7 29 29 A 5 THR O A 45 CYS H 1.0 . 1.8 30 30 A 5 THR O A 45 CYS N 1.0 . 2.7 31 31 A 31 THR O A 46 TYR H 1.0 . 1.8 32 32 A 31 THR O A 46 TYR N 1.0 . 2.7 33 33 A 3 CYS O A 47 LYS N 1.0 . 2.7 34 34 A 18 THR H A 16 ASN OD1 1.0 . 3.0 35 35 A 21 LYS H A 17 ASN O 1.0 . 2.0 36 36 A 17 ASN O A 21 LYS N 1.0 . 3.0 37 37 A 23 VAL H A 19 ASN O 1.0 . 2.0 38 38 A 19 ASN O A 23 VAL N 1.0 . 3.0 39 39 A 28 GLY H A 24 CYS O 1.0 . 2.0 40 40 A 24 CYS O A 28 GLY N 1.0 . 3.0 41 41 A 34 CYS H A 17 ASN OD1 1.0 . 3.0 42 42 A 35 ASP H A 42 LYS O 1.0 . 2.0 43 43 A 42 LYS O A 35 ASP N 1.0 . 3.0 44 44 A 36 PHE H A 35 ASP OD2 1.0 . 3.0 45 45 A 42 LYS H A 35 ASP O 1.0 . 2.0 46 46 A 35 ASP O A 42 LYS N 1.0 . 3.0 47 47 A 44 TYR H A 33 SER O 1.0 . 2.0 48 48 A 33 SER O A 44 TYR N 1.0 . 3.0 49 49 A 49 CYS H A 1 ARG O 1.0 . 2.0 50 50 A 1 ARG O A 49 CYS N 1.0 . 3.0 51 51 A 20 CYS O A 24 CYS H 1.0 . 2.0 52 52 A 20 CYS O A 24 CYS N 1.0 . 3.0 53 53 A 21 LYS O A 25 ARG H 1.0 . 2.0 54 54 A 21 LYS O A 25 ARG N 1.0 . 3.0 55 55 A 22 ASN O A 26 THR H 1.0 . 2.0 56 56 A 22 ASN O A 26 THR N 1.0 . 3.0 57 57 A 23 VAL O A 27 GLU N 1.0 . 3.0 58 58 A 24 CYS O A 29 PHE H 1.0 . 2.0 59 59 A 24 CYS O A 29 PHE N 1.0 . 3.0 60 60 A 33 SER H A 44 TYR O 1.0 . 2.0 61 61 A 44 TYR O A 33 SER N 1.0 . 3.0 62 62 A 5 THR O A 45 CYS H 1.0 . 2.0 63 63 A 5 THR O A 45 CYS N 1.0 . 3.0 64 64 A 31 THR O A 46 TYR H 1.0 . 2.0 65 65 A 31 THR O A 46 TYR N 1.0 . 3.0 66 66 A 3 CYS O A 47 LYS N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 ARG C A 2 MET N A 2 MET CA A 2 MET C 1.0 -152.3 -55.7 PHI 2 2 A 2 MET N A 2 MET CA A 2 MET C A 3 CYS N 1.0 68.8 175.6 PSI 3 3 A 2 MET C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -180.0 -40.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 LYS N 1.0 90.0 180.0 PSI 5 5 A 3 CYS C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -187.4 -93.6 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 THR N 1.0 111.5 194.7 PSI 7 7 A 4 LYS C A 5 THR N A 5 THR CA A 5 THR C 1.0 -160.8 -104.5 PHI 8 8 A 5 THR N A 5 THR CA A 5 THR C A 6 PRO N 1.0 70.7 180.3 PSI 9 9 A 16 ASN C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -73.1 -43.6 PHI 10 10 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 THR N 1.0 -66.4 -11.2 PSI 11 11 A 17 ASN C A 18 THR N A 18 THR CA A 18 THR C 1.0 -71.9 -51.9 PHI 12 12 A 18 THR N A 18 THR CA A 18 THR C A 19 ASN N 1.0 -56.0 -24.6 PSI 13 13 A 18 THR C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -77.3 -50.5 PHI 14 14 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 CYS N 1.0 -62.3 -18.8 PSI 15 15 A 19 ASN C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -76.2 -52.3 PHI 16 16 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 LYS N 1.0 -53.6 -25.8 PSI 17 17 A 20 CYS C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -70.7 -50.7 PHI 18 18 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASN N 1.0 -54.8 -34.8 PSI 19 19 A 21 LYS C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -77.7 -53.1 PHI 20 20 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 VAL N 1.0 -61.4 -17.1 PSI 21 21 A 22 ASN C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -87.6 -43.0 PHI 22 22 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 CYS N 1.0 -71.9 -17.9 PSI 23 23 A 23 VAL C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -74.9 -53.6 PHI 24 24 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 ARG N 1.0 -52.5 -19.0 PSI 25 25 A 24 CYS C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -73.4 -53.4 PHI 26 26 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 THR N 1.0 -47.6 -19.5 PSI 27 27 A 25 ARG C A 26 THR N A 26 THR CA A 26 THR C 1.0 -85.3 -51.2 PHI 28 28 A 26 THR N A 26 THR CA A 26 THR C A 27 GLU N 1.0 -40.1 -6.1 PSI 29 29 A 32 GLY C A 33 SER N A 33 SER CA A 33 SER C 1.0 -172.7 -43.6 PHI 30 30 A 33 SER N A 33 SER CA A 33 SER C A 34 CYS N 1.0 105.9 171.0 PSI 31 31 A 33 SER C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -153.3 -53.5 PHI 32 32 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ASP N 1.0 92.0 157.1 PSI 33 33 A 34 CYS C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -148.1 -56.7 PHI 34 34 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 PHE N 1.0 78.3 186.3 PSI 35 35 A 44 TYR C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -153.6 -53.8 PHI 36 36 A 45 CYS N A 45 CYS CA A 45 CYS C A 46 TYR N 1.0 71.6 171.9 PSI 37 37 A 45 CYS C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -160.0 -99.6 PHI 38 38 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 LYS N 1.0 105.9 163.9 PSI 39 39 A 46 TYR C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -170.0 -45.0 PHI 40 40 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 PRO N 1.0 90.0 180.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 9090.909 'not observed' 2 Hz 1H 9107.468 'not observed' stop_ save_