data_nef_c36142_5yz6 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 5YZ6 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 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 19 MET start . . 2 A 20 GLY middle . false 3 A 21 CYS middle -HG . 4 A 22 THR middle . . 5 A 23 TYR middle . . 6 A 24 THR middle . . 7 A 25 ILE middle . . 8 A 26 GLN middle . . 9 A 27 PRO middle . false 10 A 28 GLY middle . false 11 A 29 ASP middle . . 12 A 30 THR middle . . 13 A 31 PHE middle . . 14 A 32 TRP middle . . 15 A 33 ALA middle . . 16 A 34 ILE middle . . 17 A 35 ALA middle . . 18 A 36 GLN middle . . 19 A 37 ARG middle . . 20 A 38 ARG middle . . 21 A 39 GLY middle . false 22 A 40 THR middle . . 23 A 41 THR middle . . 24 A 42 VAL middle . . 25 A 43 ASP middle . . 26 A 44 VAL middle . . 27 A 45 ILE middle . . 28 A 46 GLN middle . . 29 A 47 SER middle . . 30 A 48 LEU middle . . 31 A 49 ASN middle . . 32 A 50 PRO middle . false 33 A 51 GLY middle . false 34 A 52 VAL middle . . 35 A 53 VAL middle . . 36 A 54 PRO middle . false 37 A 55 THR middle . . 38 A 56 ARG middle . . 39 A 57 LEU middle . . 40 A 58 GLN middle . . 41 A 59 VAL middle . . 42 A 60 GLY middle . false 43 A 61 GLN middle . . 44 A 62 VAL middle . . 45 A 63 ILE middle . . 46 A 64 ASN middle . . 47 A 65 VAL middle . . 48 A 66 PRO middle . false 49 A 67 CYS end -HG . 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 19 MET HA H 1 4.092 . A 19 MET HBx H 1 2.100 . A 19 MET HE% H 1 2.016 . A 19 MET HGx H 1 2.568 . A 19 MET C C 13 169.712 . A 19 MET CA C 13 52.285 . A 19 MET CB C 13 29.939 . A 19 MET CE C 13 13.885 . A 19 MET CG C 13 28.094 . A 20 GLY H H 1 8.574 . A 20 GLY HAx H 1 3.922 . A 20 GLY HAy H 1 4.150 . A 20 GLY C C 13 170.438 . A 20 GLY CA C 13 42.234 . A 20 GLY N N 15 111.658 . A 21 CYS H H 1 8.485 . A 21 CYS HA H 1 4.844 . A 21 CYS HBx H 1 2.676 . A 21 CYS HBy H 1 3.286 . A 21 CYS C C 13 171.243 . A 21 CYS CA C 13 56.324 . A 21 CYS CB C 13 42.753 . A 21 CYS N N 15 119.251 . A 22 THR H H 1 8.293 . A 22 THR HA H 1 5.340 . A 22 THR HB H 1 4.055 . A 22 THR HG2% H 1 0.939 . A 22 THR C C 13 170.556 . A 22 THR CA C 13 57.160 . A 22 THR CB C 13 70.133 . A 22 THR CG2 C 13 18.332 . A 22 THR N N 15 111.529 . A 23 TYR H H 1 8.874 . A 23 TYR HA H 1 4.465 . A 23 TYR HBx H 1 2.180 . A 23 TYR HBy H 1 2.764 . A 23 TYR HDx H 1 6.743 . A 23 TYR HEx H 1 6.741 . A 23 TYR C C 13 169.990 . A 23 TYR CA C 13 54.840 . A 23 TYR CB C 13 40.846 . A 23 TYR CDx C 13 128.972 . A 23 TYR CEx C 13 116.000 . A 23 TYR N N 15 121.506 . A 24 THR H H 1 7.233 . A 24 THR HA H 1 4.509 . A 24 THR HB H 1 3.483 . A 24 THR HG2% H 1 0.825 . A 24 THR C C 13 169.916 . A 24 THR CA C 13 58.906 . A 24 THR CB C 13 65.834 . A 24 THR CG2 C 13 18.508 . A 24 THR N N 15 124.634 . A 25 ILE H H 1 8.801 . A 25 ILE HA H 1 3.826 . A 25 ILE HB H 1 2.317 . A 25 ILE HD1% H 1 0.821 . A 25 ILE HG1x H 1 1.299 . A 25 ILE HG1y H 1 1.796 . A 25 ILE HG2% H 1 0.741 . A 25 ILE C C 13 173.795 . A 25 ILE CA C 13 57.955 . A 25 ILE CB C 13 32.791 . A 25 ILE CD1 C 13 8.480 . A 25 ILE CG1 C 13 24.283 . A 25 ILE CG2 C 13 15.876 . A 25 ILE N N 15 125.279 . A 26 GLN H H 1 9.141 . A 26 GLN HA H 1 4.573 . A 26 GLN HBx H 1 1.762 . A 26 GLN HBy H 1 2.105 . A 26 GLN HE2x H 1 6.750 . A 26 GLN HE2y H 1 7.280 . A 26 GLN HGx H 1 2.292 . A 26 GLN HGy H 1 2.440 . A 26 GLN C C 13 170.599 . A 26 GLN CA C 13 50.286 . A 26 GLN CB C 13 26.175 . A 26 GLN CG C 13 30.907 . A 26 GLN N N 15 130.255 . A 26 GLN NE2 N 15 113.058 . A 27 PRO HA H 1 4.074 . A 27 PRO HBx H 1 1.782 . A 27 PRO HBy H 1 2.219 . A 27 PRO HDx H 1 3.586 . A 27 PRO HDy H 1 3.657 . A 27 PRO HGx H 1 1.902 . A 27 PRO HGy H 1 2.099 . A 27 PRO C C 13 174.948 . A 27 PRO CA C 13 61.813 . A 27 PRO CB C 13 28.505 . A 27 PRO CD C 13 47.898 . A 27 PRO CG C 13 25.219 . A 28 GLY H H 1 8.773 . A 28 GLY HAx H 1 3.562 . A 28 GLY HAy H 1 4.156 . A 28 GLY C C 13 172.159 . A 28 GLY CA C 13 42.237 . A 28 GLY N N 15 113.306 . A 29 ASP H H 1 7.816 . A 29 ASP HA H 1 4.453 . A 29 ASP HBx H 1 2.334 . A 29 ASP HBy H 1 3.136 . A 29 ASP C C 13 172.970 . A 29 ASP CA C 13 53.714 . A 29 ASP CB C 13 39.357 . A 29 ASP N N 15 120.646 . A 30 THR H H 1 6.668 . A 30 THR HA H 1 4.586 . A 30 THR HB H 1 4.493 . A 30 THR HG1 H 1 5.594 . A 30 THR HG2% H 1 1.235 . A 30 THR C C 13 172.342 . A 30 THR CA C 13 55.744 . A 30 THR CB C 13 70.484 . A 30 THR CG2 C 13 18.937 . A 30 THR N N 15 106.255 . A 31 PHE H H 1 9.765 . A 31 PHE HA H 1 4.279 . A 31 PHE HBx H 1 2.943 . A 31 PHE HBy H 1 3.346 . A 31 PHE HDx H 1 7.020 . A 31 PHE HEx H 1 7.127 . A 31 PHE HZ H 1 6.865 . A 31 PHE C C 13 174.711 . A 31 PHE CA C 13 56.724 . A 31 PHE CB C 13 34.359 . A 31 PHE CDx C 13 126.635 . A 31 PHE CEx C 13 128.745 . A 31 PHE CZ C 13 125.687 . A 31 PHE N N 15 121.529 . A 32 TRP H H 1 8.379 . A 32 TRP HA H 1 3.948 . A 32 TRP HBx H 1 3.123 . A 32 TRP HBy H 1 3.273 . A 32 TRP HD1 H 1 7.167 . A 32 TRP HE1 H 1 10.140 . A 32 TRP HE3 H 1 7.404 . A 32 TRP HH2 H 1 7.122 . A 32 TRP HZ2 H 1 7.365 . A 32 TRP HZ3 H 1 7.075 . A 32 TRP C C 13 174.560 . A 32 TRP CA C 13 58.506 . A 32 TRP CB C 13 25.990 . A 32 TRP CD1 C 13 124.418 . A 32 TRP CE3 C 13 117.722 . A 32 TRP CH2 C 13 122.025 . A 32 TRP CZ2 C 13 111.936 . A 32 TRP CZ3 C 13 119.315 . A 32 TRP N N 15 117.990 . A 32 TRP NE1 N 15 129.830 . A 33 ALA H H 1 7.845 . A 33 ALA HA H 1 3.783 . A 33 ALA HB% H 1 1.407 . A 33 ALA C C 13 177.820 . A 33 ALA CA C 13 52.331 . A 33 ALA CB C 13 16.115 . A 33 ALA N N 15 121.982 . A 34 ILE H H 1 7.966 . A 34 ILE HA H 1 3.127 . A 34 ILE HB H 1 1.361 . A 34 ILE HD1% H 1 0.630 . A 34 ILE HG1x H 1 0.458 . A 34 ILE HG1y H 1 1.620 . A 34 ILE HG2% H 1 0.084 . A 34 ILE C C 13 174.436 . A 34 ILE CA C 13 62.141 . A 34 ILE CB C 13 35.978 . A 34 ILE CD1 C 13 12.712 . A 34 ILE CG1 C 13 25.353 . A 34 ILE CG2 C 13 13.672 . A 34 ILE N N 15 118.593 . A 35 ALA H H 1 8.114 . A 35 ALA HA H 1 3.332 . A 35 ALA HB% H 1 0.977 . A 35 ALA C C 13 176.501 . A 35 ALA CA C 13 52.485 . A 35 ALA CB C 13 14.429 . A 35 ALA N N 15 120.481 . A 36 GLN H H 1 7.646 . A 36 GLN HA H 1 3.711 . A 36 GLN HBx H 1 1.629 . A 36 GLN HBy H 1 1.712 . A 36 GLN HE2x H 1 6.591 . A 36 GLN HE2y H 1 6.761 . A 36 GLN HGx H 1 1.710 . A 36 GLN C C 13 176.891 . A 36 GLN CA C 13 55.630 . A 36 GLN CB C 13 25.659 . A 36 GLN CG C 13 30.464 . A 36 GLN N N 15 115.471 . A 36 GLN NE2 N 15 112.121 . A 37 ARG H H 1 7.717 . A 37 ARG HA H 1 3.901 . A 37 ARG HBx H 1 1.711 . A 37 ARG HBy H 1 1.738 . A 37 ARG HDx H 1 2.946 . A 37 ARG HDy H 1 3.119 . A 37 ARG HE H 1 7.125 . A 37 ARG HGx H 1 1.552 . A 37 ARG HGy H 1 1.637 . A 37 ARG C C 13 175.384 . A 37 ARG CA C 13 55.993 . A 37 ARG CB C 13 27.959 . A 37 ARG CD C 13 40.957 . A 37 ARG CG C 13 24.711 . A 37 ARG N N 15 118.798 . A 37 ARG NE N 15 120.078 . A 38 ARG H H 1 7.592 . A 38 ARG HA H 1 4.224 . A 38 ARG HBx H 1 1.287 . A 38 ARG HBy H 1 1.931 . A 38 ARG HDx H 1 2.579 . A 38 ARG HDy H 1 2.837 . A 38 ARG HE H 1 7.481 . A 38 ARG HGx H 1 1.365 . A 38 ARG C C 13 173.352 . A 38 ARG CA C 13 51.925 . A 38 ARG CB C 13 27.304 . A 38 ARG CD C 13 39.255 . A 38 ARG CG C 13 24.779 . A 38 ARG N N 15 114.037 . A 38 ARG NE N 15 118.503 . A 39 GLY H H 1 7.498 . A 39 GLY HAx H 1 3.807 . A 39 GLY C C 13 171.671 . A 39 GLY CA C 13 44.076 . A 39 GLY N N 15 109.243 . A 40 THR H H 1 8.023 . A 40 THR HA H 1 4.772 . A 40 THR HB H 1 3.764 . A 40 THR HG1 H 1 6.296 . A 40 THR HG2% H 1 0.858 . A 40 THR C C 13 170.004 . A 40 THR CA C 13 54.951 . A 40 THR CB C 13 66.092 . A 40 THR CG2 C 13 15.961 . A 40 THR N N 15 115.184 . A 41 THR H H 1 8.678 . A 41 THR HA H 1 4.752 . A 41 THR HB H 1 4.497 . A 41 THR HG2% H 1 1.080 . A 41 THR C C 13 173.090 . A 41 THR CA C 13 55.809 . A 41 THR CB C 13 69.271 . A 41 THR CG2 C 13 18.929 . A 41 THR N N 15 110.787 . A 42 VAL H H 1 8.940 . A 42 VAL HA H 1 3.272 . A 42 VAL HB H 1 2.058 . A 42 VAL HGx% H 1 1.002 . A 42 VAL C C 13 174.156 . A 42 VAL CA C 13 64.020 . A 42 VAL CB C 13 28.809 . A 42 VAL CGx C 13 19.157 . A 42 VAL N N 15 120.233 . A 43 ASP H H 1 8.164 . A 43 ASP HA H 1 4.287 . A 43 ASP HBx H 1 2.468 . A 43 ASP HBy H 1 2.544 . A 43 ASP C C 13 176.322 . A 43 ASP CA C 13 54.267 . A 43 ASP CB C 13 37.276 . A 43 ASP N N 15 117.750 . A 44 VAL H H 1 7.447 . A 44 VAL HA H 1 3.509 . A 44 VAL HB H 1 2.150 . A 44 VAL HGx% H 1 0.684 . A 44 VAL HGy% H 1 0.805 . A 44 VAL C C 13 176.135 . A 44 VAL CA C 13 63.604 . A 44 VAL CB C 13 28.434 . A 44 VAL CGx C 13 18.518 . A 44 VAL CGy C 13 20.083 . A 44 VAL N N 15 121.989 . A 45 ILE H H 1 7.359 . A 45 ILE HA H 1 3.249 . A 45 ILE HB H 1 1.473 . A 45 ILE HD1% H 1 0.316 . A 45 ILE HG1x H 1 0.997 . A 45 ILE HG1y H 1 1.280 . A 45 ILE HG2% H 1 -0.118 . A 45 ILE C C 13 176.437 . A 45 ILE CA C 13 61.993 . A 45 ILE CB C 13 33.358 . A 45 ILE CD1 C 13 8.673 . A 45 ILE CG1 C 13 25.406 . A 45 ILE CG2 C 13 13.785 . A 45 ILE N N 15 117.910 . A 46 GLN H H 1 8.980 . A 46 GLN HA H 1 4.075 . A 46 GLN HBx H 1 2.175 . A 46 GLN HBy H 1 2.323 . A 46 GLN HE2x H 1 6.973 . A 46 GLN HE2y H 1 7.307 . A 46 GLN HGx H 1 2.328 . A 46 GLN HGy H 1 2.388 . A 46 GLN C C 13 177.125 . A 46 GLN CA C 13 56.798 . A 46 GLN CB C 13 26.290 . A 46 GLN CG C 13 32.066 . A 46 GLN N N 15 119.980 . A 46 GLN NE2 N 15 112.836 . A 47 SER H H 1 8.131 . A 47 SER HA H 1 4.123 . A 47 SER HBx H 1 3.919 . A 47 SER HBy H 1 3.919 . A 47 SER C C 13 173.077 . A 47 SER CA C 13 58.912 . A 47 SER CB C 13 59.823 . A 47 SER N N 15 116.735 . A 48 LEU H H 1 7.325 . A 48 LEU HA H 1 4.235 . A 48 LEU HBx H 1 1.334 . A 48 LEU HBy H 1 1.525 . A 48 LEU HDx% H 1 0.435 . A 48 LEU HDy% H 1 0.662 . A 48 LEU HG H 1 1.722 . A 48 LEU C C 13 173.819 . A 48 LEU CA C 13 52.240 . A 48 LEU CB C 13 40.782 . A 48 LEU CDy C 13 22.607 . A 48 LEU CDx C 13 19.090 . A 48 LEU CG C 13 23.532 . A 48 LEU N N 15 118.473 . A 49 ASN H H 1 7.595 . A 49 ASN HA H 1 5.235 . A 49 ASN HBx H 1 2.533 . A 49 ASN HD2x H 1 8.266 . A 49 ASN HD2y H 1 9.032 . A 49 ASN C C 13 175.932 . A 49 ASN CA C 13 48.855 . A 49 ASN CB C 13 38.402 . A 49 ASN N N 15 118.214 . A 49 ASN ND2 N 15 121.779 . A 50 PRO HA H 1 4.408 . A 50 PRO HBx H 1 1.923 . A 50 PRO HBy H 1 2.222 . A 50 PRO HDx H 1 3.345 . A 50 PRO HDy H 1 3.528 . A 50 PRO HGx H 1 1.966 . A 50 PRO C C 13 175.762 . A 50 PRO CA C 13 61.649 . A 50 PRO CB C 13 28.669 . A 50 PRO CD C 13 47.551 . A 50 PRO CG C 13 24.744 . A 51 GLY H H 1 8.795 . A 51 GLY HAx H 1 3.799 . A 51 GLY HAy H 1 3.919 . A 51 GLY C C 13 171.359 . A 51 GLY CA C 13 42.273 . A 51 GLY N N 15 109.802 . A 52 VAL H H 1 7.514 . A 52 VAL HA H 1 3.949 . A 52 VAL HB H 1 2.169 . A 52 VAL HGx% H 1 0.735 . A 52 VAL HGy% H 1 0.882 . A 52 VAL C C 13 172.563 . A 52 VAL CA C 13 59.501 . A 52 VAL CB C 13 29.171 . A 52 VAL CGx C 13 19.033 . A 52 VAL CGy C 13 20.103 . A 52 VAL N N 15 121.496 . A 53 VAL H H 1 8.630 . A 53 VAL HA H 1 4.293 . A 53 VAL HB H 1 1.876 . A 53 VAL HGx% H 1 0.831 . A 53 VAL HGy% H 1 0.881 . A 53 VAL C C 13 173.689 . A 53 VAL CA C 13 56.954 . A 53 VAL CB C 13 29.516 . A 53 VAL CGy C 13 18.257 . A 53 VAL CGx C 13 18.145 . A 53 VAL N N 15 131.413 . A 54 PRO HA H 1 3.241 . A 54 PRO HBx H 1 1.371 . A 54 PRO HBy H 1 1.682 . A 54 PRO HDx H 1 3.735 . A 54 PRO HDy H 1 4.098 . A 54 PRO HGx H 1 1.649 . A 54 PRO HGy H 1 1.843 . A 54 PRO C C 13 174.139 . A 54 PRO CA C 13 62.395 . A 54 PRO CB C 13 29.195 . A 54 PRO CD C 13 48.639 . A 54 PRO CG C 13 24.638 . A 55 THR H H 1 6.640 . A 55 THR HA H 1 4.209 . A 55 THR HB H 1 4.425 . A 55 THR HG2% H 1 1.125 . A 55 THR C C 13 172.030 . A 55 THR CA C 13 58.602 . A 55 THR CB C 13 65.711 . A 55 THR CG2 C 13 19.407 . A 55 THR N N 15 103.279 . A 56 ARG H H 1 7.683 . A 56 ARG HA H 1 4.574 . A 56 ARG HBx H 1 1.431 . A 56 ARG HBy H 1 1.931 . A 56 ARG HDx H 1 3.065 . A 56 ARG HE H 1 7.084 . A 56 ARG HGx H 1 1.413 . A 56 ARG C C 13 172.673 . A 56 ARG CA C 13 51.656 . A 56 ARG CB C 13 27.773 . A 56 ARG CD C 13 40.567 . A 56 ARG CG C 13 24.357 . A 56 ARG N N 15 122.825 . A 56 ARG NE N 15 120.075 . A 57 LEU H H 1 7.772 . A 57 LEU HA H 1 4.415 . A 57 LEU HBx H 1 1.113 . A 57 LEU HBy H 1 1.613 . A 57 LEU HDx% H 1 0.554 . A 57 LEU HDy% H 1 0.695 . A 57 LEU HG H 1 1.577 . A 57 LEU C C 13 174.429 . A 57 LEU CA C 13 51.884 . A 57 LEU CB C 13 40.109 . A 57 LEU CDx C 13 20.417 . A 57 LEU CDy C 13 22.539 . A 57 LEU CG C 13 23.497 . A 57 LEU N N 15 121.957 . A 58 GLN H H 1 8.298 . A 58 GLN HA H 1 4.517 . A 58 GLN HBx H 1 1.750 . A 58 GLN HBy H 1 1.914 . A 58 GLN HE2x H 1 6.738 . A 58 GLN HE2y H 1 7.331 . A 58 GLN HGx H 1 2.249 . A 58 GLN C C 13 172.411 . A 58 GLN CA C 13 50.693 . A 58 GLN CB C 13 28.558 . A 58 GLN CG C 13 30.858 . A 58 GLN N N 15 121.456 . A 58 GLN NE2 N 15 112.549 . A 59 VAL H H 1 8.453 . A 59 VAL HA H 1 3.152 . A 59 VAL HB H 1 1.790 . A 59 VAL HGx% H 1 0.828 . A 59 VAL HGy% H 1 0.833 . A 59 VAL C C 13 175.009 . A 59 VAL CA C 13 62.428 . A 59 VAL CB C 13 28.253 . A 59 VAL CGx C 13 18.516 . A 59 VAL CGy C 13 20.020 . A 59 VAL N N 15 123.807 . A 60 GLY H H 1 8.664 . A 60 GLY HAx H 1 3.251 . A 60 GLY HAy H 1 4.262 . A 60 GLY C C 13 170.923 . A 60 GLY CA C 13 42.071 . A 60 GLY N N 15 116.253 . A 61 GLN H H 1 7.932 . A 61 GLN HA H 1 4.101 . A 61 GLN HBx H 1 2.081 . A 61 GLN HBy H 1 2.305 . A 61 GLN HE2x H 1 6.343 . A 61 GLN HE2y H 1 7.565 . A 61 GLN HGy H 1 2.334 . A 61 GLN HGx H 1 2.332 . A 61 GLN C C 13 171.195 . A 61 GLN CA C 13 53.307 . A 61 GLN CB C 13 26.888 . A 61 GLN CG C 13 30.363 . A 61 GLN N N 15 122.850 . A 61 GLN NE2 N 15 108.327 . A 62 VAL H H 1 8.516 . A 62 VAL HA H 1 4.579 . A 62 VAL HB H 1 1.801 . A 62 VAL HGx% H 1 0.742 . A 62 VAL HGy% H 1 0.858 . A 62 VAL C C 13 174.447 . A 62 VAL CA C 13 59.307 . A 62 VAL CB C 13 29.834 . A 62 VAL CGy C 13 18.645 . A 62 VAL CGx C 13 18.350 . A 62 VAL N N 15 125.994 . A 63 ILE H H 1 9.120 . A 63 ILE HA H 1 4.704 . A 63 ILE HB H 1 1.835 . A 63 ILE HD1% H 1 0.628 . A 63 ILE HG1x H 1 1.124 . A 63 ILE HG1y H 1 1.369 . A 63 ILE HG2% H 1 0.833 . A 63 ILE C C 13 171.784 . A 63 ILE CA C 13 55.992 . A 63 ILE CB C 13 38.932 . A 63 ILE CD1 C 13 12.174 . A 63 ILE CG1 C 13 23.058 . A 63 ILE CG2 C 13 14.614 . A 63 ILE N N 15 120.773 . A 64 ASN H H 1 9.594 . A 64 ASN HA H 1 5.098 . A 64 ASN HBx H 1 2.389 . A 64 ASN HBy H 1 2.626 . A 64 ASN HD2x H 1 7.109 . A 64 ASN HD2y H 1 7.265 . A 64 ASN C C 13 172.578 . A 64 ASN CA C 13 50.496 . A 64 ASN CB C 13 37.394 . A 64 ASN N N 15 119.855 . A 64 ASN ND2 N 15 115.365 . A 65 VAL H H 1 8.070 . A 65 VAL HA H 1 4.413 . A 65 VAL HB H 1 1.790 . A 65 VAL HGx% H 1 0.319 . A 65 VAL HGy% H 1 0.493 . A 65 VAL C C 13 169.348 . A 65 VAL CA C 13 55.266 . A 65 VAL CB C 13 31.115 . A 65 VAL CGx C 13 15.285 . A 65 VAL CGy C 13 20.530 . A 65 VAL N N 15 112.591 . A 66 PRO HA H 1 4.302 . A 66 PRO HBx H 1 1.787 . A 66 PRO HBy H 1 2.215 . A 66 PRO HDx H 1 3.079 . A 66 PRO HDy H 1 3.220 . A 66 PRO HGx H 1 1.782 . A 66 PRO HGy H 1 1.940 . A 66 PRO C C 13 174.036 . A 66 PRO CA C 13 60.077 . A 66 PRO CB C 13 28.531 . A 66 PRO CD C 13 47.126 . A 66 PRO CG C 13 24.993 . A 67 CYS H H 1 8.495 . A 67 CYS HA H 1 4.264 . A 67 CYS HBx H 1 2.647 . A 67 CYS HBy H 1 3.066 . A 67 CYS C C 13 176.902 . A 67 CYS CA C 13 52.979 . A 67 CYS CB C 13 38.992 . A 67 CYS N N 15 125.964 . 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 21 CYS SG A 67 CYS SG 1.0 . 2.10 2 2 A 67 CYS SG A 21 CYS CB 1.0 . 3.10 3 3 A 21 CYS SG A 67 CYS CB 1.0 . 3.10 4 4 A 27 PRO CD A 27 PRO CG 1.0 . 1.51 5 5 A 27 PRO CD A 27 PRO CB 1.0 . 2.40 6 6 A 27 PRO CD A 27 PRO HGx 1.0 . 2.13 7 7 A 27 PRO CD A 27 PRO HGy 1.0 . 2.13 8 8 A 27 PRO CG A 27 PRO N 1.0 . 2.34 9 9 A 27 PRO CG A 27 PRO HDx 1.0 . 2.13 10 10 A 27 PRO CG A 27 PRO HDy 1.0 . 2.13 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _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 21 CYS SG A 67 CYS SG 1.0 . 2.00 2 2 A 67 CYS SG A 21 CYS CB 1.0 . 3.00 3 3 A 21 CYS SG A 67 CYS CB 1.0 . 3.00 4 4 A 27 PRO CD A 27 PRO CG 1.0 . 1.49 5 5 A 27 PRO CD A 27 PRO CB 1.0 . 2.39 6 6 A 27 PRO CD A 27 PRO HGx 1.0 . 2.12 7 7 A 27 PRO CD A 27 PRO HGy 1.0 . 2.12 8 8 A 27 PRO CG A 27 PRO N 1.0 . 2.33 9 9 A 27 PRO CG A 27 PRO HDx 1.0 . 2.12 10 10 A 27 PRO CG A 27 PRO HDy 1.0 . 2.12 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 21 CYS O A 65 VAL H 1.0 . 2.0 2 2 A 21 CYS O A 65 VAL N 1.0 . 3.0 3 3 A 23 TYR O A 63 ILE H 1.0 . 2.0 4 4 A 23 TYR O A 63 ILE N 1.0 . 3.0 5 5 A 25 ILE O A 61 GLN H 1.0 . 2.0 6 6 A 25 ILE O A 61 GLN N 1.0 . 3.0 7 7 A 25 ILE O A 60 GLY H 1.0 . 2.0 8 8 A 25 ILE O A 60 GLY N 1.0 . 3.0 9 9 A 26 GLN O A 29 ASP H 1.0 . 2.0 10 10 A 26 GLN O A 29 ASP N 1.0 . 3.0 11 11 A 30 THR O A 34 ILE H 1.0 . 2.0 12 12 A 30 THR O A 34 ILE N 1.0 . 3.0 13 13 A 31 PHE O A 35 ALA H 1.0 . 2.0 14 14 A 31 PHE O A 35 ALA N 1.0 . 3.0 15 15 A 32 TRP O A 36 GLN H 1.0 . 2.0 16 16 A 32 TRP O A 36 GLN N 1.0 . 3.0 17 17 A 34 ILE O A 38 ARG H 1.0 . 2.0 18 18 A 34 ILE O A 38 ARG N 1.0 . 3.0 19 19 A 35 ALA O A 40 THR H 1.0 . 2.0 20 20 A 35 ALA O A 40 THR N 1.0 . 3.0 21 21 A 41 THR O A 45 ILE H 1.0 . 2.0 22 22 A 41 THR O A 45 ILE N 1.0 . 3.0 23 23 A 42 VAL O A 46 GLN H 1.0 . 2.0 24 24 A 42 VAL O A 46 GLN N 1.0 . 3.0 25 25 A 43 ASP O A 47 SER H 1.0 . 2.0 26 26 A 43 ASP O A 47 SER N 1.0 . 3.0 27 27 A 44 VAL O A 48 LEU H 1.0 . 2.0 28 28 A 44 VAL O A 48 LEU N 1.0 . 3.0 29 29 A 46 GLN O A 49 ASN H 1.0 . 2.0 30 30 A 46 GLN O A 49 ASN N 1.0 . 3.0 31 31 A 61 GLN O A 25 ILE H 1.0 . 2.0 32 32 A 61 GLN O A 25 ILE N 1.0 . 3.0 33 33 A 63 ILE O A 23 TYR H 1.0 . 2.0 34 34 A 63 ILE O A 23 TYR N 1.0 . 3.0 35 35 A 29 ASP OD2 A 26 GLN H 1.0 . 2.0 36 36 A 29 ASP OD2 A 26 GLN N 1.0 . 3.0 37 37 A 45 ILE O A 49 ASN HD2x 1.0 . 2.0 38 38 A 45 ILE O A 49 ASN ND2 1.0 . 3.0 39 39 A 49 ASN OD1 A 64 ASN H 1.0 . 2.0 40 40 A 49 ASN OD1 A 64 ASN N 1.0 . 3.0 41 41 A 64 ASN O A 49 ASN HD2y 1.0 . 2.0 42 42 A 49 ASN ND2 A 64 ASN O 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _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 21 CYS O A 65 VAL H 1.0 . 1.8 2 2 A 21 CYS O A 65 VAL N 1.0 . 2.7 3 3 A 23 TYR O A 63 ILE H 1.0 . 1.8 4 4 A 23 TYR O A 63 ILE N 1.0 . 2.7 5 5 A 25 ILE O A 61 GLN H 1.0 . 1.8 6 6 A 25 ILE O A 61 GLN N 1.0 . 2.7 7 7 A 25 ILE O A 60 GLY H 1.0 . 1.8 8 8 A 25 ILE O A 60 GLY N 1.0 . 2.7 9 9 A 26 GLN O A 29 ASP H 1.0 . 1.8 10 10 A 26 GLN O A 29 ASP N 1.0 . 2.7 11 11 A 30 THR O A 34 ILE H 1.0 . 1.8 12 12 A 30 THR O A 34 ILE N 1.0 . 2.7 13 13 A 31 PHE O A 35 ALA H 1.0 . 1.8 14 14 A 31 PHE O A 35 ALA N 1.0 . 2.7 15 15 A 32 TRP O A 36 GLN H 1.0 . 1.8 16 16 A 32 TRP O A 36 GLN N 1.0 . 2.7 17 17 A 34 ILE O A 38 ARG H 1.0 . 1.8 18 18 A 34 ILE O A 38 ARG N 1.0 . 2.7 19 19 A 35 ALA O A 40 THR H 1.0 . 1.8 20 20 A 35 ALA O A 40 THR N 1.0 . 2.7 21 21 A 41 THR O A 45 ILE H 1.0 . 1.8 22 22 A 41 THR O A 45 ILE N 1.0 . 2.7 23 23 A 42 VAL O A 46 GLN H 1.0 . 1.8 24 24 A 42 VAL O A 46 GLN N 1.0 . 2.7 25 25 A 43 ASP O A 47 SER H 1.0 . 1.8 26 26 A 43 ASP O A 47 SER N 1.0 . 2.7 27 27 A 44 VAL O A 48 LEU H 1.0 . 1.8 28 28 A 44 VAL O A 48 LEU N 1.0 . 2.7 29 29 A 46 GLN O A 49 ASN H 1.0 . 1.8 30 30 A 46 GLN O A 49 ASN N 1.0 . 2.7 31 31 A 61 GLN O A 25 ILE H 1.0 . 1.8 32 32 A 61 GLN O A 25 ILE N 1.0 . 2.7 33 33 A 63 ILE O A 23 TYR H 1.0 . 1.8 34 34 A 63 ILE O A 23 TYR N 1.0 . 2.7 35 35 A 29 ASP OD2 A 26 GLN H 1.0 . 1.8 36 36 A 29 ASP OD2 A 26 GLN N 1.0 . 2.7 37 37 A 45 ILE O A 49 ASN HD2x 1.0 . 1.8 38 38 A 45 ILE O A 49 ASN ND2 1.0 . 2.7 39 39 A 49 ASN OD1 A 64 ASN H 1.0 . 1.8 40 40 A 49 ASN OD1 A 64 ASN N 1.0 . 2.7 41 41 A 64 ASN O A 49 ASN HD2y 1.0 . 1.8 42 42 A 49 ASN ND2 A 64 ASN O 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 20 GLY C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -190.3 -85.9 PHI 2 2 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 THR N 1.0 119.1 182.6 PSI 3 3 A 21 CYS C A 22 THR N A 22 THR CA A 22 THR C 1.0 -164.7 -109.9 PHI 4 4 A 22 THR N A 22 THR CA A 22 THR C A 23 TYR N 1.0 139.4 179.4 PSI 5 5 A 22 THR C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -164.7 -86.9 PHI 6 6 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 THR N 1.0 101.7 148.2 PSI 7 7 A 23 TYR C A 24 THR N A 24 THR CA A 24 THR C 1.0 -146.7 -69.9 PHI 8 8 A 24 THR N A 24 THR CA A 24 THR C A 25 ILE N 1.0 96.7 156.1 PSI 9 9 A 24 THR C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -129.4 -78.3 PHI 10 10 A 43 ASP C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -84.2 -44.2 PHI 11 11 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ILE N 1.0 -56.3 6.9 PSI 12 12 A 44 VAL C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -85.5 -45.5 PHI 13 13 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 GLN N 1.0 -58.3 -6.4 PSI 14 14 A 45 ILE C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -117.8 -47.7 PHI 15 15 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 SER N 1.0 -42.2 29.1 PSI 16 16 A 60 GLY C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -131.8 -88.9 PHI 17 17 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 VAL N 1.0 97.0 137.0 PSI 18 18 A 61 GLN C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -131.1 -68.9 PHI 19 19 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 ILE N 1.0 94.9 163.3 PSI 20 20 A 62 VAL C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -173.2 -112.0 PHI 21 21 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ASN N 1.0 142.2 182.2 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 8012.82 . folded . . 2 Hz . . 20833.34 . folded . . 3 Hz . . 8021 . folded . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 6009.615 . folded . . 2 Hz . . 1800 . folded . . 3 Hz . . 6000 . folded . . stop_ save_