data_nef_c25910_2n9l save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25909 PDB 2N9K PDB 2N9L 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 GLY middle . false 3 A 3 THR middle . . 4 A 4 TYR middle . . 5 A 5 LYS middle . . 6 A 6 LEU middle . . 7 A 7 ILE middle . . 8 A 8 LEU middle . . 9 A 9 ASN middle . . 10 A 10 GLY middle . false 11 A 11 LYS middle . . 12 A 12 THR middle . . 13 A 13 LEU middle . . 14 A 14 LYS middle . . 15 A 15 GLY middle . false 16 A 16 GLU middle . . 17 A 17 THR middle . . 18 A 18 THR middle . . 19 A 19 THR middle . . 20 A 20 GLU middle . . 21 A 21 ALA middle . . 22 A 22 VAL middle . . 23 A 23 ASP middle . . 24 A 24 ALA middle . . 25 A 25 ALA middle . . 26 A 26 THR middle . . 27 A 27 ALA middle . . 28 A 28 GLU middle . . 29 A 29 LYS middle . . 30 A 30 VAL middle . . 31 A 31 PHE middle . . 32 A 32 LYS middle . . 33 A 33 GLN middle . . 34 A 34 TYR middle . . 35 A 35 ALA middle . . 36 A 36 ASN middle . . 37 A 37 ASP middle . . 38 A 38 ASN middle . . 39 A 39 GLY middle . false 40 A 40 VAL middle . . 41 A 41 ASP middle . . 42 A 42 GLY middle . false 43 A 43 GLU middle . . 44 A 44 TRP middle . . 45 A 45 THR middle . . 46 A 46 TYR middle . . 47 A 47 ASP middle . . 48 A 48 ASP middle . . 49 A 49 ALA middle . . 50 A 50 THR middle . . 51 A 51 LYS middle . . 52 A 52 THR middle . . 53 A 53 PHE middle . . 54 A 54 THR middle . . 55 A 55 VAL middle . . 56 A 56 THR middle . . 57 A 57 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.547 0.020 A 1 MET HBx H 1 1.920 0.020 A 1 MET HBy H 1 1.920 0.020 A 1 MET HE% H 1 0.691 0.020 A 1 MET HGx H 1 1.928 0.020 A 1 MET HGy H 1 1.928 0.020 A 1 MET C C 13 175.807 0.400 A 1 MET CA C 13 53.747 0.400 A 1 MET CB C 13 33.623 0.400 A 1 MET CE C 13 12.477 0.400 A 1 MET CG C 13 33.604 0.400 A 2 GLY H H 1 8.454 0.020 A 2 GLY HAx H 1 3.700 0.020 A 2 GLY HAy H 1 4.135 0.020 A 2 GLY C C 13 176.605 0.400 A 2 GLY CA C 13 44.589 0.400 A 2 GLY N N 15 113.750 0.400 A 3 THR H H 1 8.076 0.020 A 3 THR HA H 1 4.594 0.020 A 3 THR HB H 1 4.255 0.020 A 3 THR HG2% H 1 1.122 0.020 A 3 THR C C 13 173.943 0.400 A 3 THR CA C 13 62.633 0.400 A 3 THR CB C 13 72.413 0.400 A 3 THR CG2 C 13 21.617 0.400 A 3 THR N N 15 118.182 0.400 A 4 TYR H H 1 9.273 0.020 A 4 TYR HA H 1 5.271 0.020 A 4 TYR HBx H 1 2.785 0.020 A 4 TYR HBy H 1 3.269 0.020 A 4 TYR HD1 H 1 7.106 0.020 A 4 TYR HD2 H 1 7.106 0.020 A 4 TYR HE1 H 1 6.912 0.020 A 4 TYR HE2 H 1 6.912 0.020 A 4 TYR C C 13 174.213 0.400 A 4 TYR CA C 13 56.625 0.400 A 4 TYR CB C 13 42.657 0.400 A 4 TYR CD1 C 13 133.297 0.400 A 4 TYR CD2 C 13 133.269 0.400 A 4 TYR CE1 C 13 117.437 0.400 A 4 TYR CE2 C 13 117.601 0.400 A 4 TYR N N 15 128.256 0.400 A 5 LYS H H 1 9.075 0.020 A 5 LYS HA H 1 5.169 0.020 A 5 LYS HBx H 1 1.594 0.020 A 5 LYS HBy H 1 1.594 0.020 A 5 LYS HDx H 1 1.591 0.020 A 5 LYS HDy H 1 1.591 0.020 A 5 LYS HEx H 1 2.900 0.020 A 5 LYS HEy H 1 2.900 0.020 A 5 LYS HGx H 1 1.395 0.020 A 5 LYS HGy H 1 1.395 0.020 A 5 LYS C C 13 172.616 0.400 A 5 LYS CA C 13 54.875 0.400 A 5 LYS CB C 13 28.908 0.400 A 5 LYS CD C 13 28.906 0.400 A 5 LYS CE C 13 41.941 0.400 A 5 LYS CG C 13 25.219 0.400 A 5 LYS N N 15 124.678 0.400 A 6 LEU H H 1 8.541 0.020 A 6 LEU HA H 1 4.839 0.020 A 6 LEU C C 13 174.425 0.400 A 6 LEU CA C 13 52.459 0.400 A 6 LEU N N 15 128.375 0.400 A 7 ILE H H 1 9.020 0.020 A 7 ILE HA H 1 4.221 0.020 A 7 ILE HB H 1 1.906 0.020 A 7 ILE HD1% H 1 0.693 0.020 A 7 ILE HG1x H 1 1.331 0.020 A 7 ILE HG1y H 1 1.331 0.020 A 7 ILE HG2% H 1 0.683 0.020 A 7 ILE C C 13 174.566 0.400 A 7 ILE CA C 13 60.226 0.400 A 7 ILE CB C 13 37.977 0.400 A 7 ILE CD1 C 13 12.621 0.400 A 7 ILE CG1 C 13 27.284 0.400 A 7 ILE CG2 C 13 17.053 0.400 A 7 ILE N N 15 128.123 0.400 A 8 LEU H H 1 8.640 0.020 A 8 LEU HA H 1 4.383 0.020 A 8 LEU HBx H 1 1.295 0.020 A 8 LEU HBy H 1 1.373 0.020 A 8 LEU HDx% H 1 0.682 0.020 A 8 LEU HDy% H 1 0.682 0.020 A 8 LEU HG H 1 1.222 0.020 A 8 LEU C C 13 174.640 0.400 A 8 LEU CA C 13 54.428 0.400 A 8 LEU CB C 13 42.014 0.400 A 8 LEU CD1 C 13 25.211 0.400 A 8 LEU CD2 C 13 25.486 0.400 A 8 LEU CG C 13 27.288 0.400 A 8 LEU N N 15 127.628 0.400 A 9 ASN H H 1 8.830 0.020 A 9 ASN HA H 1 5.214 0.020 A 9 ASN HBx H 1 2.443 0.020 A 9 ASN HBy H 1 2.930 0.020 A 9 ASN C C 13 175.683 0.400 A 9 ASN CA C 13 50.778 0.400 A 9 ASN CB C 13 37.691 0.400 A 9 ASN N N 15 128.380 0.400 A 10 GLY H H 1 7.831 0.020 A 10 GLY HAx H 1 3.984 0.020 A 10 GLY HAy H 1 4.316 0.020 A 10 GLY C C 13 173.311 0.400 A 10 GLY CA C 13 44.735 0.400 A 10 GLY N N 15 111.563 0.400 A 11 LYS H H 1 9.419 0.020 A 11 LYS HA H 1 3.990 0.020 A 11 LYS HBx H 1 1.771 0.020 A 11 LYS HBy H 1 1.771 0.020 A 11 LYS HDx H 1 1.604 0.020 A 11 LYS HDy H 1 1.604 0.020 A 11 LYS HEx H 1 2.908 0.020 A 11 LYS HEy H 1 2.908 0.020 A 11 LYS HGx H 1 1.398 0.020 A 11 LYS HGy H 1 1.398 0.020 A 11 LYS C C 13 178.822 0.400 A 11 LYS CA C 13 58.885 0.400 A 11 LYS CB C 13 32.330 0.400 A 11 LYS CD C 13 28.855 0.400 A 11 LYS CE C 13 41.953 0.400 A 11 LYS CG C 13 25.302 0.400 A 11 LYS N N 15 122.942 0.400 A 12 THR H H 1 8.743 0.020 A 12 THR HA H 1 4.312 0.020 A 12 THR HB H 1 4.193 0.020 A 12 THR HG2% H 1 1.100 0.020 A 12 THR C C 13 173.575 0.400 A 12 THR CA C 13 61.517 0.400 A 12 THR CB C 13 69.598 0.400 A 12 THR CG2 C 13 21.561 0.400 A 12 THR N N 15 110.192 0.400 A 13 LEU H H 1 7.273 0.020 A 13 LEU HA H 1 4.401 0.020 A 13 LEU HBx H 1 1.359 0.020 A 13 LEU HBy H 1 1.478 0.020 A 13 LEU HDx% H 1 0.699 0.020 A 13 LEU HDy% H 1 0.810 0.020 A 13 LEU HG H 1 1.333 0.020 A 13 LEU C C 13 173.148 0.400 A 13 LEU CA C 13 54.953 0.400 A 13 LEU CB C 13 43.166 0.400 A 13 LEU CD1 C 13 25.277 0.400 A 13 LEU CD2 C 13 24.095 0.400 A 13 LEU CG C 13 27.278 0.400 A 13 LEU N N 15 127.300 0.400 A 14 LYS H H 1 8.062 0.020 A 14 LYS HA H 1 5.097 0.020 A 14 LYS HBx H 1 1.649 0.020 A 14 LYS HBy H 1 1.804 0.020 A 14 LYS HEx H 1 2.858 0.020 A 14 LYS HEy H 1 2.917 0.020 A 14 LYS HGx H 1 1.396 0.020 A 14 LYS HGy H 1 1.396 0.020 A 14 LYS C C 13 176.255 0.400 A 14 LYS CA C 13 53.661 0.400 A 14 LYS CB C 13 34.743 0.400 A 14 LYS CE C 13 42.453 0.400 A 14 LYS CG C 13 25.319 0.400 A 14 LYS N N 15 125.544 0.400 A 15 GLY H H 1 8.349 0.020 A 15 GLY HAx H 1 4.026 0.020 A 15 GLY HAy H 1 4.210 0.020 A 15 GLY C C 13 171.151 0.400 A 15 GLY CA C 13 45.006 0.400 A 15 GLY N N 15 111.144 0.400 A 16 GLU H H 1 8.346 0.020 A 16 GLU HA H 1 5.546 0.020 A 16 GLU HBx H 1 1.870 0.020 A 16 GLU HBy H 1 1.870 0.020 A 16 GLU HGx H 1 2.139 0.020 A 16 GLU HGy H 1 2.139 0.020 A 16 GLU C C 13 175.034 0.400 A 16 GLU CA C 13 54.528 0.400 A 16 GLU CB C 13 33.817 0.400 A 16 GLU CG C 13 35.960 0.400 A 16 GLU N N 15 120.581 0.400 A 17 THR H H 1 8.636 0.020 A 17 THR HA H 1 4.622 0.020 A 17 THR HB H 1 3.845 0.020 A 17 THR HG2% H 1 0.328 0.020 A 17 THR C C 13 171.834 0.400 A 17 THR CA C 13 60.610 0.400 A 17 THR CB C 13 69.030 0.400 A 17 THR CG2 C 13 19.301 0.400 A 17 THR N N 15 117.658 0.400 A 18 THR H H 1 7.970 0.020 A 18 THR HA H 1 5.794 0.020 A 18 THR HB H 1 4.233 0.020 A 18 THR C C 13 173.871 0.400 A 18 THR CA C 13 59.750 0.400 A 18 THR CB C 13 73.077 0.400 A 18 THR N N 15 113.707 0.400 A 19 THR H H 1 9.018 0.020 A 19 THR HA H 1 4.606 0.020 A 19 THR HB H 1 3.804 0.020 A 19 THR C C 13 171.009 0.400 A 19 THR CA C 13 62.179 0.400 A 19 THR CB C 13 70.463 0.400 A 19 THR N N 15 116.670 0.400 A 20 GLU H H 1 7.922 0.020 A 20 GLU HA H 1 5.528 0.020 A 20 GLU HBx H 1 1.858 0.020 A 20 GLU HBy H 1 1.858 0.020 A 20 GLU HGx H 1 2.177 0.020 A 20 GLU HGy H 1 2.177 0.020 A 20 GLU C C 13 176.205 0.400 A 20 GLU CA C 13 54.574 0.400 A 20 GLU CB C 13 30.757 0.400 A 20 GLU CG C 13 36.241 0.400 A 20 GLU N N 15 126.491 0.400 A 21 ALA H H 1 9.183 0.020 A 21 ALA HA H 1 4.740 0.020 A 21 ALA HB% H 1 1.189 0.020 A 21 ALA C C 13 177.223 0.400 A 21 ALA CA C 13 50.945 0.400 A 21 ALA CB C 13 23.578 0.400 A 21 ALA N N 15 126.835 0.400 A 22 VAL H H 1 8.519 0.020 A 22 VAL HA H 1 4.137 0.020 A 22 VAL HB H 1 2.102 0.020 A 22 VAL HGx% H 1 0.923 0.020 A 22 VAL HGy% H 1 0.923 0.020 A 22 VAL C C 13 174.432 0.400 A 22 VAL CA C 13 63.321 0.400 A 22 VAL CB C 13 32.120 0.400 A 22 VAL CG1 C 13 20.666 0.400 A 22 VAL CG2 C 13 20.840 0.400 A 22 VAL N N 15 117.316 0.400 A 23 ASP H H 1 7.191 0.020 A 23 ASP HA H 1 4.580 0.020 A 23 ASP HBx H 1 2.926 0.020 A 23 ASP HBy H 1 2.926 0.020 A 23 ASP C C 13 174.391 0.400 A 23 ASP CA C 13 52.345 0.400 A 23 ASP CB C 13 42.149 0.400 A 23 ASP N N 15 116.395 0.400 A 24 ALA H H 1 8.315 0.020 A 24 ALA HA H 1 3.349 0.020 A 24 ALA HB% H 1 1.163 0.020 A 24 ALA C C 13 179.001 0.400 A 24 ALA CA C 13 54.346 0.400 A 24 ALA CB C 13 17.327 0.400 A 24 ALA N N 15 123.019 0.400 A 25 ALA H H 1 7.982 0.020 A 25 ALA HA H 1 3.891 0.020 A 25 ALA HB% H 1 1.210 0.020 A 25 ALA C C 13 180.736 0.400 A 25 ALA CA C 13 54.646 0.400 A 25 ALA CB C 13 17.623 0.400 A 25 ALA N N 15 122.203 0.400 A 26 THR H H 1 8.258 0.020 A 26 THR HA H 1 3.973 0.020 A 26 THR HB H 1 4.104 0.020 A 26 THR C C 13 175.969 0.400 A 26 THR CA C 13 66.690 0.400 A 26 THR CB C 13 66.977 0.400 A 26 THR N N 15 118.231 0.400 A 27 ALA H H 1 6.992 0.020 A 27 ALA HA H 1 3.008 0.020 A 27 ALA HB% H 1 0.447 0.020 A 27 ALA C C 13 176.928 0.400 A 27 ALA CA C 13 54.544 0.400 A 27 ALA CB C 13 17.299 0.400 A 27 ALA N N 15 125.522 0.400 A 28 GLU H H 1 8.284 0.020 A 28 GLU HA H 1 2.575 0.020 A 28 GLU HBx H 1 1.777 0.020 A 28 GLU HBy H 1 1.777 0.020 A 28 GLU C C 13 177.127 0.400 A 28 GLU CA C 13 59.522 0.400 A 28 GLU CB C 13 32.612 0.400 A 28 GLU N N 15 118.584 0.400 A 29 LYS H H 1 6.861 0.020 A 29 LYS HA H 1 3.654 0.020 A 29 LYS HBx H 1 1.802 0.020 A 29 LYS HBy H 1 1.802 0.020 A 29 LYS HDx H 1 1.561 0.020 A 29 LYS HDy H 1 1.561 0.020 A 29 LYS HEx H 1 2.817 0.020 A 29 LYS HEy H 1 2.817 0.020 A 29 LYS HGx H 1 1.262 0.020 A 29 LYS HGy H 1 1.262 0.020 A 29 LYS C C 13 179.844 0.400 A 29 LYS CA C 13 59.589 0.400 A 29 LYS CB C 13 32.200 0.400 A 29 LYS CD C 13 28.969 0.400 A 29 LYS CE C 13 41.925 0.400 A 29 LYS CG C 13 25.064 0.400 A 29 LYS N N 15 118.504 0.400 A 30 VAL H H 1 7.203 0.020 A 30 VAL HA H 1 3.550 0.020 A 30 VAL HB H 1 1.677 0.020 A 30 VAL HGx% H 1 0.729 0.020 A 30 VAL HGy% H 1 0.827 0.020 A 30 VAL C C 13 179.643 0.400 A 30 VAL CA C 13 65.870 0.400 A 30 VAL CB C 13 31.729 0.400 A 30 VAL CG1 C 13 20.255 0.400 A 30 VAL CG2 C 13 21.439 0.400 A 30 VAL N N 15 122.501 0.400 A 31 PHE H H 1 8.398 0.020 A 31 PHE C C 13 178.161 0.400 A 31 PHE CA C 13 55.903 0.400 A 31 PHE N N 15 122.601 0.400 A 32 LYS H H 1 9.078 0.020 A 32 LYS HA H 1 4.085 0.020 A 32 LYS HBx H 1 1.520 0.020 A 32 LYS HBy H 1 1.520 0.020 A 32 LYS C C 13 179.432 0.400 A 32 LYS CA C 13 59.714 0.400 A 32 LYS CB C 13 31.660 0.400 A 32 LYS N N 15 124.739 0.400 A 33 GLN H H 1 7.325 0.020 A 33 GLN HA H 1 3.986 0.020 A 33 GLN HBx H 1 2.124 0.020 A 33 GLN HBy H 1 2.124 0.020 A 33 GLN HGx H 1 2.356 0.020 A 33 GLN HGy H 1 2.356 0.020 A 33 GLN C C 13 176.867 0.400 A 33 GLN CA C 13 58.531 0.400 A 33 GLN CB C 13 27.914 0.400 A 33 GLN CG C 13 33.572 0.400 A 33 GLN N N 15 121.561 0.400 A 34 TYR H H 1 8.165 0.020 A 34 TYR HA H 1 4.206 0.020 A 34 TYR HBx H 1 3.226 0.020 A 34 TYR HBy H 1 3.226 0.020 A 34 TYR HD1 H 1 6.921 0.020 A 34 TYR HD2 H 1 6.908 0.020 A 34 TYR HE1 H 1 6.655 0.020 A 34 TYR HE2 H 1 6.655 0.020 A 34 TYR C C 13 178.875 0.400 A 34 TYR CA C 13 61.673 0.400 A 34 TYR CB C 13 38.779 0.400 A 34 TYR CD1 C 13 132.620 0.400 A 34 TYR CD2 C 13 132.573 0.400 A 34 TYR CE1 C 13 118.036 0.400 A 34 TYR CE2 C 13 117.971 0.400 A 34 TYR N N 15 122.729 0.400 A 35 ALA H H 1 9.126 0.020 A 35 ALA HA H 1 3.754 0.020 A 35 ALA HB% H 1 1.772 0.020 A 35 ALA C C 13 174.251 0.400 A 35 ALA CA C 13 56.260 0.400 A 35 ALA CB C 13 17.622 0.400 A 35 ALA N N 15 124.565 0.400 A 36 ASN H H 1 8.156 0.020 A 36 ASN HA H 1 4.370 0.020 A 36 ASN HBx H 1 2.865 0.020 A 36 ASN HBy H 1 2.865 0.020 A 36 ASN C C 13 179.225 0.400 A 36 ASN CA C 13 56.845 0.400 A 36 ASN CB C 13 38.724 0.400 A 36 ASN N N 15 119.406 0.400 A 37 ASP H H 1 8.854 0.020 A 37 ASP HA H 1 4.291 0.020 A 37 ASP HBx H 1 2.777 0.020 A 37 ASP HBy H 1 2.777 0.020 A 37 ASP C C 13 176.917 0.400 A 37 ASP CA C 13 56.791 0.400 A 37 ASP CB C 13 41.927 0.400 A 37 ASP N N 15 123.289 0.400 A 38 ASN H H 1 7.302 0.020 A 38 ASN HA H 1 4.528 0.020 A 38 ASN C C 13 173.809 0.400 A 38 ASN CA C 13 53.604 0.400 A 38 ASN N N 15 117.154 0.400 A 39 GLY H H 1 7.716 0.020 A 39 GLY HAx H 1 3.838 0.020 A 39 GLY HAy H 1 3.838 0.020 A 39 GLY C C 13 177.482 0.400 A 39 GLY CA C 13 46.647 0.400 A 39 GLY N N 15 109.931 0.400 A 40 VAL H H 1 8.027 0.020 A 40 VAL HA H 1 4.099 0.020 A 40 VAL HB H 1 1.672 0.020 A 40 VAL HGx% H 1 0.578 0.020 A 40 VAL HGy% H 1 0.760 0.020 A 40 VAL C C 13 173.752 0.400 A 40 VAL CA C 13 61.738 0.400 A 40 VAL CB C 13 32.918 0.400 A 40 VAL CG1 C 13 21.242 0.400 A 40 VAL CG2 C 13 21.382 0.400 A 40 VAL N N 15 122.793 0.400 A 41 ASP H H 1 8.588 0.020 A 41 ASP HA H 1 4.825 0.020 A 41 ASP HBx H 1 2.507 0.020 A 41 ASP HBy H 1 2.682 0.020 A 41 ASP C C 13 174.270 0.400 A 41 ASP CA C 13 52.473 0.400 A 41 ASP CB C 13 42.513 0.400 A 41 ASP N N 15 129.935 0.400 A 42 GLY H H 1 7.672 0.020 A 42 GLY HAx H 1 3.499 0.020 A 42 GLY HAy H 1 4.250 0.020 A 42 GLY C C 13 171.778 0.400 A 42 GLY CA C 13 45.243 0.400 A 42 GLY N N 15 109.126 0.400 A 43 GLU H H 1 8.089 0.020 A 43 GLU HA H 1 4.628 0.020 A 43 GLU HBx H 1 1.950 0.020 A 43 GLU HBy H 1 1.999 0.020 A 43 GLU HGx H 1 2.279 0.020 A 43 GLU HGy H 1 2.279 0.020 A 43 GLU C C 13 176.874 0.400 A 43 GLU CA C 13 55.350 0.400 A 43 GLU CB C 13 31.207 0.400 A 43 GLU CG C 13 36.018 0.400 A 43 GLU N N 15 122.448 0.400 A 44 TRP H H 1 9.284 0.020 A 44 TRP HA H 1 5.313 0.020 A 44 TRP HBx H 1 3.080 0.020 A 44 TRP HBy H 1 3.277 0.020 A 44 TRP HD1 H 1 7.506 0.020 A 44 TRP HE1 H 1 10.441 0.020 A 44 TRP HE3 H 1 7.545 0.020 A 44 TRP HH2 H 1 6.667 0.020 A 44 TRP HZ2 H 1 7.272 0.020 A 44 TRP C C 13 176.867 0.400 A 44 TRP CA C 13 57.688 0.400 A 44 TRP CB C 13 30.268 0.400 A 44 TRP CD1 C 13 126.876 0.400 A 44 TRP CE3 C 13 119.348 0.400 A 44 TRP CH2 C 13 122.685 0.400 A 44 TRP CZ2 C 13 114.137 0.400 A 44 TRP N N 15 130.232 0.400 A 44 TRP NE1 N 15 132.686 0.400 A 45 THR H H 1 9.192 0.020 A 45 THR HA H 1 4.626 0.020 A 45 THR HB H 1 3.813 0.020 A 45 THR HG2% H 1 1.117 0.020 A 45 THR C C 13 172.518 0.400 A 45 THR CA C 13 60.392 0.400 A 45 THR CB C 13 72.517 0.400 A 45 THR CG2 C 13 21.437 0.400 A 45 THR N N 15 116.544 0.400 A 46 TYR H H 1 8.512 0.020 A 46 TYR HA H 1 4.375 0.020 A 46 TYR HBx H 1 2.852 0.020 A 46 TYR HBy H 1 2.852 0.020 A 46 TYR C C 13 173.077 0.400 A 46 TYR CA C 13 56.663 0.400 A 46 TYR CB C 13 38.701 0.400 A 46 TYR N N 15 122.420 0.400 A 47 ASP H H 1 7.613 0.020 A 47 ASP HA H 1 4.520 0.020 A 47 ASP HBx H 1 2.196 0.020 A 47 ASP HBy H 1 2.495 0.020 A 47 ASP C C 13 174.266 0.400 A 47 ASP CA C 13 51.864 0.400 A 47 ASP CB C 13 42.670 0.400 A 47 ASP N N 15 130.329 0.400 A 48 ASP H H 1 8.422 0.020 A 48 ASP HA H 1 4.019 0.020 A 48 ASP HBx H 1 2.484 0.020 A 48 ASP HBy H 1 2.711 0.020 A 48 ASP C C 13 177.981 0.400 A 48 ASP CA C 13 56.198 0.400 A 48 ASP CB C 13 41.614 0.400 A 48 ASP N N 15 126.699 0.400 A 49 ALA H H 1 8.202 0.020 A 49 ALA HA H 1 4.021 0.020 A 49 ALA HB% H 1 1.413 0.020 A 49 ALA C C 13 179.522 0.400 A 49 ALA CA C 13 54.829 0.400 A 49 ALA CB C 13 18.168 0.400 A 49 ALA N N 15 121.819 0.400 A 50 THR H H 1 6.890 0.020 A 50 THR HA H 1 4.318 0.020 A 50 THR HB H 1 4.324 0.020 A 50 THR C C 13 174.943 0.400 A 50 THR CA C 13 60.343 0.400 A 50 THR CB C 13 69.532 0.400 A 50 THR N N 15 105.089 0.400 A 51 LYS H H 1 7.764 0.020 A 51 LYS HA H 1 4.079 0.020 A 51 LYS HBx H 1 2.460 0.020 A 51 LYS HBy H 1 2.460 0.020 A 51 LYS HGx H 1 2.077 0.020 A 51 LYS HGy H 1 2.077 0.020 A 51 LYS C C 13 174.733 0.400 A 51 LYS CA C 13 57.119 0.400 A 51 LYS CB C 13 33.975 0.400 A 51 LYS CG C 13 28.791 0.400 A 51 LYS N N 15 125.512 0.400 A 52 THR H H 1 7.261 0.020 A 52 THR HA H 1 5.437 0.020 A 52 THR HB H 1 3.691 0.020 A 52 THR HG2% H 1 0.928 0.020 A 52 THR C C 13 174.733 0.400 A 52 THR CA C 13 62.078 0.400 A 52 THR CB C 13 63.076 0.400 A 52 THR CG2 C 13 20.691 0.400 A 52 THR N N 15 112.742 0.400 A 53 PHE H H 1 10.363 0.020 A 53 PHE HA H 1 5.641 0.020 A 53 PHE HBx H 1 3.225 0.020 A 53 PHE HBy H 1 3.225 0.020 A 53 PHE HD1 H 1 7.752 0.020 A 53 PHE HD2 H 1 7.100 0.020 A 53 PHE HE1 H 1 7.100 0.020 A 53 PHE HE2 H 1 7.100 0.020 A 53 PHE C C 13 174.377 0.400 A 53 PHE CA C 13 56.995 0.400 A 53 PHE CB C 13 42.679 0.400 A 53 PHE CD1 C 13 133.162 0.400 A 53 PHE CD2 C 13 131.881 0.400 A 53 PHE CE1 C 13 133.167 0.400 A 53 PHE CE2 C 13 131.747 0.400 A 53 PHE N N 15 132.937 0.400 A 54 THR H H 1 9.011 0.020 A 54 THR HA H 1 5.140 0.020 A 54 THR HB H 1 3.555 0.020 A 54 THR HG2% H 1 0.740 0.020 A 54 THR C C 13 172.417 0.400 A 54 THR CA C 13 61.408 0.400 A 54 THR CB C 13 65.839 0.400 A 54 THR CG2 C 13 20.142 0.400 A 54 THR N N 15 119.069 0.400 A 55 VAL H H 1 8.122 0.020 A 55 VAL HA H 1 4.382 0.020 A 55 VAL HB H 1 -0.288 0.020 A 55 VAL HGx% H 1 -0.418 0.020 A 55 VAL HGy% H 1 0.317 0.020 A 55 VAL CA C 13 57.834 0.400 A 55 VAL CB C 13 32.223 0.400 A 55 VAL CG1 C 13 20.473 0.400 A 55 VAL CG2 C 13 19.495 0.400 A 55 VAL N N 15 125.268 0.400 A 56 THR H H 1 8.306 0.020 A 56 THR C C 13 173.901 0.400 A 56 THR CA C 13 61.272 0.400 A 56 THR N N 15 125.548 0.400 A 57 GLU H H 1 7.740 0.020 A 57 GLU HA H 1 2.842 0.020 A 57 GLU HBx H 1 1.560 0.020 A 57 GLU HBy H 1 1.560 0.020 A 57 GLU HGx H 1 2.843 0.020 A 57 GLU CA C 13 58.031 0.400 A 57 GLU CB C 13 28.978 0.400 A 57 GLU N N 15 135.874 0.400 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 1 MET C A 2 GLY N A 2 GLY CA A 2 GLY C 1.0 -159.5 -32.4 PHI 2 2 A 2 GLY N A 2 GLY CA A 2 GLY C A 3 THR N 1.0 107.7 174.5 PSI 3 3 A 2 GLY C A 3 THR N A 3 THR CA A 3 THR C 1.0 -141.1 -96.1 PHI 4 4 A 3 THR N A 3 THR CA A 3 THR C A 4 TYR N 1.0 104.7 145.5 PSI 5 5 A 3 THR C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -147.4 -95.8 PHI 6 6 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 LYS N 1.0 97.4 178.9 PSI 7 7 A 4 TYR C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -130.8 -74.6 PHI 8 8 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 LEU N 1.0 85.3 151.6 PSI 9 9 A 5 LYS C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -135.6 -83.2 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ILE N 1.0 100.1 145.9 PSI 11 11 A 6 LEU C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -132.6 -91.3 PHI 12 12 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 LEU N 1.0 94.6 149.7 PSI 13 13 A 7 ILE C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -139.2 -67.7 PHI 14 14 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 ASN N 1.0 113.9 133.9 PSI 15 15 A 8 LEU C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -139.3 -72.2 PHI 16 16 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 GLY N 1.0 80.4 145.4 PSI 17 17 A 9 ASN C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -191.0 -42.0 PHI 18 18 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 LYS N 1.0 97.7 208.0 PSI 19 19 A 10 GLY C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -98.2 -42.0 PHI 20 20 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 THR N 1.0 -57.3 11.7 PSI 21 21 A 11 LYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -140.7 -52.9 PHI 22 22 A 12 THR N A 12 THR CA A 12 THR C A 13 LEU N 1.0 -35.6 26.2 PSI 23 23 A 12 THR C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -146.4 -55.5 PHI 24 24 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 LYS N 1.0 86.4 169.9 PSI 25 25 A 13 LEU C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -151.7 -83.7 PHI 26 26 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 GLY N 1.0 99.8 165.4 PSI 27 27 A 14 LYS C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -191.2 -110.0 PHI 28 28 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 GLU N 1.0 121.7 191.6 PSI 29 29 A 15 GLY C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -157.2 -97.6 PHI 30 30 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 THR N 1.0 119.8 171.2 PSI 31 31 A 16 GLU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -176.3 -86.6 PHI 32 32 A 17 THR N A 17 THR CA A 17 THR C A 18 THR N 1.0 96.5 223.0 PSI 33 33 A 17 THR C A 18 THR N A 18 THR CA A 18 THR C 1.0 -160.3 -108.2 PHI 34 34 A 18 THR N A 18 THR CA A 18 THR C A 19 THR N 1.0 138.1 168.0 PSI 35 35 A 18 THR C A 19 THR N A 19 THR CA A 19 THR C 1.0 -145.5 -94.2 PHI 36 36 A 19 THR N A 19 THR CA A 19 THR C A 20 GLU N 1.0 103.6 137.4 PSI 37 37 A 19 THR C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -137.7 -89.3 PHI 38 38 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ALA N 1.0 110.8 155.9 PSI 39 39 A 20 GLU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -180.0 -52.0 PHI 40 40 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 VAL N 1.0 113.6 200.3 PSI 41 41 A 21 ALA C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -113.0 -63.8 PHI 42 42 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 ASP N 1.0 -43.6 8.2 PSI 43 43 A 22 VAL C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -200.8 -68.8 PHI 44 44 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 ALA N 1.0 133.4 182.7 PSI 45 45 A 23 ASP C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -80.4 -47.5 PHI 46 46 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ALA N 1.0 -50.8 -14.7 PSI 47 47 A 24 ALA C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -74.3 -52.4 PHI 48 48 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 THR N 1.0 -47.7 -27.7 PSI 49 49 A 25 ALA C A 26 THR N A 26 THR CA A 26 THR C 1.0 -75.6 -55.6 PHI 50 50 A 26 THR N A 26 THR CA A 26 THR C A 27 ALA N 1.0 -48.9 -26.2 PSI 51 51 A 26 THR C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -72.6 -51.6 PHI 52 52 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 GLU N 1.0 -59.2 -30.6 PSI 53 53 A 27 ALA C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -71.1 -51.1 PHI 54 54 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 LYS N 1.0 -53.9 -33.4 PSI 55 55 A 28 GLU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -74.4 -54.4 PHI 56 56 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 VAL N 1.0 -58.1 -21.1 PSI 57 57 A 29 LYS C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -71.0 -51.0 PHI 58 58 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 PHE N 1.0 -55.9 -35.9 PSI 59 59 A 31 PHE C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -70.5 -46.0 PHI 60 60 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 GLN N 1.0 -43.3 -21.4 PSI 61 61 A 32 LYS C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -73.6 -51.3 PHI 62 62 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 TYR N 1.0 -57.5 -24.6 PSI 63 63 A 33 GLN C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -73.2 -53.2 PHI 64 64 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 ALA N 1.0 -53.1 -29.6 PSI 65 65 A 34 TYR C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -72.6 -52.6 PHI 66 66 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ASN N 1.0 -54.1 -33.3 PSI 67 67 A 35 ALA C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -75.5 -54.9 PHI 68 68 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 ASP N 1.0 -50.0 -30.0 PSI 69 69 A 36 ASN C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -74.7 -54.7 PHI 70 70 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ASN N 1.0 -38.3 -10.7 PSI 71 71 A 37 ASP C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -120.7 -69.9 PHI 72 72 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 GLY N 1.0 -21.7 32.7 PSI 73 73 A 38 ASN C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 60.5 116.2 PHI 74 74 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 VAL N 1.0 -9.2 32.0 PSI 75 75 A 39 GLY C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -126.6 -45.4 PHI 76 76 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ASP N 1.0 103.2 166.7 PSI 77 77 A 40 VAL C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -167.3 -61.7 PHI 78 78 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 GLY N 1.0 99.2 167.3 PSI 79 79 A 41 ASP C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -216.0 -54.6 PHI 80 80 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 GLU N 1.0 99.1 202.9 PSI 81 81 A 42 GLY C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -137.6 -69.8 PHI 82 82 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 TRP N 1.0 105.9 151.5 PSI 83 83 A 43 GLU C A 44 TRP N A 44 TRP CA A 44 TRP C 1.0 -133.7 -66.7 PHI 84 84 A 44 TRP N A 44 TRP CA A 44 TRP C A 45 THR N 1.0 100.5 155.3 PSI 85 85 A 44 TRP C A 45 THR N A 45 THR CA A 45 THR C 1.0 -174.7 -86.8 PHI 86 86 A 45 THR N A 45 THR CA A 45 THR C A 46 TYR N 1.0 120.7 176.5 PSI 87 87 A 45 THR C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -150.3 -65.3 PHI 88 88 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 ASP N 1.0 84.0 148.1 PSI 89 89 A 46 TYR C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -141.5 -70.6 PHI 90 90 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ASP N 1.0 61.5 174.6 PSI 91 91 A 47 ASP C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -73.4 -51.8 PHI 92 92 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 ALA N 1.0 -53.7 -4.3 PSI 93 93 A 48 ASP C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -101.2 -48.1 PHI 94 94 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 THR N 1.0 -58.8 3.4 PSI 95 95 A 49 ALA C A 50 THR N A 50 THR CA A 50 THR C 1.0 -135.0 -79.1 PHI 96 96 A 50 THR N A 50 THR CA A 50 THR C A 51 LYS N 1.0 -13.3 8.9 PSI 97 97 A 51 LYS C A 52 THR N A 52 THR CA A 52 THR C 1.0 -131.9 -46.9 PHI 98 98 A 52 THR N A 52 THR CA A 52 THR C A 53 PHE N 1.0 100.6 153.7 PSI 99 99 A 52 THR C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -148.2 -81.5 PHI 100 100 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 THR N 1.0 102.9 147.2 PSI 101 101 A 53 PHE C A 54 THR N A 54 THR CA A 54 THR C 1.0 -133.1 -78.1 PHI 102 102 A 54 THR N A 54 THR CA A 54 THR C A 55 VAL N 1.0 95.5 135.4 PSI 103 103 A 54 THR C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -124.8 -84.4 PHI 104 104 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 THR N 1.0 96.5 148.5 PSI 105 105 A 55 VAL C A 56 THR N A 56 THR CA A 56 THR C 1.0 -152.2 -46.9 PHI 106 106 A 56 THR N A 56 THR CA A 56 THR C A 57 GLU N 1.0 88.7 145.9 PSI stop_ save_