data_nef_c25632_2n31 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 2N31 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 -4 GLY start . false 2 A -3 PRO middle . false 3 A -2 LEU middle . . 4 A -1 GLY middle . false 5 A 0 SER middle . . 6 A 1 MET middle . . 7 A 2 ALA middle . . 8 A 3 THR middle . . 9 A 4 THR middle . . 10 A 5 VAL middle . . 11 A 6 SER middle . . 12 A 7 THR middle . . 13 A 8 GLN middle . . 14 A 9 ARG middle . . 15 A 10 GLY middle . false 16 A 11 PRO middle . false 17 A 12 VAL middle . . 18 A 13 TYR middle . . 19 A 14 ILE middle . . 20 A 15 GLY middle . false 21 A 16 GLU middle . . 22 A 17 LEU middle . . 23 A 18 PRO middle . false 24 A 19 GLN middle . . 25 A 20 ASP middle . . 26 A 21 PHE middle . . 27 A 22 LEU middle . . 28 A 23 ARG middle . . 29 A 24 ILE middle . . 30 A 25 THR middle . . 31 A 26 PRO middle . false 32 A 27 THR middle . . 33 A 28 GLN middle . . 34 A 29 GLN middle . . 35 A 30 GLN middle . . 36 A 31 ARG middle . . 37 A 32 GLN middle . . 38 A 33 VAL middle . . 39 A 34 GLN middle . . 40 A 35 LEU middle . . 41 A 36 ASP middle . . 42 A 37 ALA middle . . 43 A 38 GLN middle . . 44 A 39 ALA middle . . 45 A 40 ALA middle . . 46 A 41 GLN middle . . 47 A 42 GLN middle . . 48 A 43 LEU middle . . 49 A 44 GLN middle . . 50 A 45 TYR middle . . 51 A 46 GLY middle . false 52 A 47 GLY middle . false 53 A 48 ALA middle . . 54 A 49 VAL middle . . 55 A 50 GLY middle . false 56 A 51 THR middle . . 57 A 52 VAL middle . . 58 A 53 GLY end . false 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 H H 1 8.263 0.003 A 1 MET HA H 1 4.440 0.003 A 1 MET HBx H 1 2.013 0.001 A 1 MET HBy H 1 2.013 0.001 A 1 MET HGy H 1 2.673 0.002 A 1 MET HGx H 1 2.586 0.002 A 1 MET C C 13 173.440 0.031 A 1 MET CA C 13 52.547 0.064 A 1 MET CB C 13 29.604 0.000 A 1 MET N N 15 122.393 0.060 A 2 ALA H H 1 8.763 0.004 A 2 ALA HA H 1 4.125 0.000 A 2 ALA C C 13 173.517 0.072 A 2 ALA CA C 13 49.733 0.094 A 2 ALA CB C 13 14.252 0.035 A 2 ALA N N 15 125.131 0.085 A 3 THR H H 1 7.533 0.006 A 3 THR HA H 1 4.518 0.001 A 3 THR HG2% H 1 1.106 0.005 A 3 THR C C 13 169.880 0.000 A 3 THR CA C 13 57.255 0.034 A 3 THR CB C 13 68.760 0.176 A 3 THR N N 15 112.892 0.091 A 4 THR H H 1 8.107 0.008 A 4 THR HA H 1 5.257 0.006 A 4 THR HB H 1 4.046 0.003 A 4 THR HG2% H 1 1.192 0.004 A 4 THR C C 13 172.063 0.000 A 4 THR CA C 13 60.261 0.000 A 4 THR CB C 13 66.733 0.109 A 4 THR N N 15 118.818 0.061 A 5 VAL H H 1 9.496 0.005 A 5 VAL HA H 1 4.254 0.001 A 5 VAL HB H 1 1.834 0.002 A 5 VAL HGx% H 1 0.841 0.002 A 5 VAL HGy% H 1 0.841 0.002 A 5 VAL C C 13 172.368 0.000 A 5 VAL CA C 13 58.509 0.169 A 5 VAL CB C 13 32.279 0.141 A 5 VAL N N 15 129.690 0.044 A 6 SER H H 1 8.668 0.003 A 6 SER HA H 1 4.372 0.003 A 6 SER HBx H 1 3.794 0.002 A 6 SER HBy H 1 3.794 0.002 A 6 SER C C 13 171.570 0.000 A 6 SER CA C 13 56.089 0.065 A 6 SER CB C 13 60.592 0.014 A 6 SER N N 15 120.903 0.069 A 7 THR H H 1 7.407 0.003 A 7 THR HA H 1 4.934 0.001 A 7 THR HG2% H 1 1.278 0.006 A 7 THR CA C 13 57.538 0.000 A 7 THR CB C 13 69.909 0.000 A 7 THR N N 15 116.484 0.054 A 8 GLN HGx H 1 2.436 0.000 A 8 GLN HGy H 1 2.436 0.000 A 8 GLN C C 13 173.823 0.000 A 8 GLN CA C 13 55.613 0.000 A 8 GLN CB C 13 25.848 0.000 A 9 ARG H H 1 8.035 0.005 A 9 ARG HA H 1 4.535 0.000 A 9 ARG HBx H 1 2.129 0.003 A 9 ARG HBy H 1 2.129 0.003 A 9 ARG HDy H 1 3.219 0.000 A 9 ARG HDx H 1 2.937 0.000 A 9 ARG HGy H 1 1.642 0.001 A 9 ARG HGx H 1 1.558 0.003 A 9 ARG C C 13 171.934 0.000 A 9 ARG CA C 13 52.568 0.099 A 9 ARG CB C 13 28.330 0.112 A 9 ARG N N 15 116.473 0.048 A 10 GLY H H 1 7.351 0.004 A 10 GLY HAy H 1 4.529 0.000 A 10 GLY HAx H 1 3.908 0.000 A 10 GLY CA C 13 41.206 0.000 A 10 GLY N N 15 108.317 0.082 A 11 PRO HA H 1 5.126 0.004 A 11 PRO HDy H 1 3.908 0.000 A 11 PRO HDx H 1 3.598 0.002 A 11 PRO C C 13 174.645 0.000 A 12 VAL H H 1 8.845 0.007 A 12 VAL HA H 1 4.814 0.001 A 12 VAL HB H 1 2.125 0.000 A 12 VAL HGx% H 1 0.913 0.008 A 12 VAL HGy% H 1 0.821 0.010 A 12 VAL C C 13 170.232 0.000 A 12 VAL CA C 13 56.062 0.115 A 12 VAL CB C 13 32.332 0.147 A 12 VAL N N 15 113.268 0.064 A 13 TYR H H 1 9.297 0.002 A 13 TYR HA H 1 5.254 0.002 A 13 TYR HBx H 1 2.697 0.006 A 13 TYR HBy H 1 2.697 0.006 A 13 TYR C C 13 172.439 0.000 A 13 TYR CA C 13 53.806 0.000 A 13 TYR CB C 13 37.538 0.000 A 13 TYR N N 15 125.816 0.076 A 14 ILE H H 1 7.840 0.003 A 14 ILE HA H 1 4.889 0.003 A 14 ILE HB H 1 1.696 0.004 A 14 ILE HD1% H 1 0.135 0.004 A 14 ILE HG1y H 1 1.497 0.004 A 14 ILE HG1x H 1 0.854 0.008 A 14 ILE HG2% H 1 0.725 0.015 A 14 ILE C C 13 171.359 0.000 A 14 ILE CA C 13 56.400 0.000 A 14 ILE CB C 13 39.815 0.000 A 14 ILE N N 15 116.485 0.033 A 15 GLY H H 1 7.610 0.004 A 15 GLY HAy H 1 4.129 0.007 A 15 GLY HAx H 1 3.606 0.002 A 15 GLY C C 13 169.880 0.000 A 15 GLY CA C 13 40.526 0.028 A 15 GLY N N 15 110.867 0.050 A 16 GLU H H 1 8.160 0.000 A 16 GLU HA H 1 4.272 0.000 A 16 GLU HBy H 1 1.862 0.002 A 16 GLU HBx H 1 1.772 0.005 A 16 GLU HGx H 1 2.163 0.007 A 16 GLU HGy H 1 2.163 0.007 A 16 GLU C C 13 174.152 0.000 A 16 GLU CA C 13 53.759 0.000 A 16 GLU CB C 13 26.764 0.000 A 16 GLU N N 15 119.050 0.035 A 17 LEU H H 1 8.706 0.006 A 17 LEU HA H 1 4.069 0.000 A 17 LEU HBx H 1 1.874 0.000 A 17 LEU HBy H 1 1.874 0.000 A 17 LEU HDx% H 1 0.755 0.003 A 17 LEU HDy% H 1 0.207 0.001 A 17 LEU HG H 1 1.722 0.000 A 17 LEU CA C 13 50.139 0.000 A 17 LEU CB C 13 37.933 0.000 A 17 LEU N N 15 125.638 0.032 A 19 GLN HBx H 1 2.115 0.008 A 19 GLN HBy H 1 2.115 0.008 A 19 GLN HGx H 1 2.534 0.013 A 19 GLN HGy H 1 2.534 0.013 A 19 GLN C C 13 173.201 0.000 A 19 GLN CA C 13 56.494 0.000 A 19 GLN CB C 13 25.625 0.000 A 20 ASP H H 1 8.376 0.006 A 20 ASP HA H 1 4.472 0.003 A 20 ASP HBx H 1 2.867 0.007 A 20 ASP HBy H 1 2.867 0.007 A 20 ASP C C 13 172.967 0.000 A 20 ASP CA C 13 50.988 0.098 A 20 ASP CB C 13 38.162 0.046 A 20 ASP N N 15 112.321 0.032 A 21 PHE H H 1 7.228 0.004 A 21 PHE HA H 1 4.095 0.004 A 21 PHE HBy H 1 2.986 0.003 A 21 PHE HBx H 1 2.892 0.004 A 21 PHE C C 13 173.037 0.000 A 21 PHE CA C 13 57.791 0.076 A 21 PHE CB C 13 37.517 0.120 A 21 PHE N N 15 122.586 0.070 A 22 LEU H H 1 9.212 0.006 A 22 LEU HA H 1 3.402 0.001 A 22 LEU HBx H 1 1.813 0.000 A 22 LEU HBy H 1 1.813 0.000 A 22 LEU HDx% H 1 1.002 0.002 A 22 LEU HD21 H 1 0.844 0.001 A 22 LEU HD22 H 1 0.719 0.001 A 22 LEU HD23 H 1 0.633 0.003 A 22 LEU HG H 1 1.651 0.000 A 22 LEU C C 13 170.643 0.000 A 22 LEU CA C 13 53.372 0.000 A 22 LEU CB C 13 36.862 0.157 A 22 LEU N N 15 125.387 0.028 A 23 ARG H H 1 7.470 0.009 A 23 ARG HA H 1 4.611 0.001 A 23 ARG HBx H 1 1.760 0.000 A 23 ARG HBy H 1 1.760 0.000 A 23 ARG HDy H 1 3.306 0.002 A 23 ARG HDx H 1 3.062 0.001 A 23 ARG HGx H 1 1.608 0.002 A 23 ARG HGy H 1 1.608 0.002 A 23 ARG C C 13 173.225 0.000 A 23 ARG CA C 13 51.880 0.001 A 23 ARG CB C 13 31.029 0.064 A 23 ARG N N 15 114.125 0.013 A 24 ILE H H 1 8.885 0.006 A 24 ILE HA H 1 4.172 0.002 A 24 ILE HB H 1 1.772 0.002 A 24 ILE HD1% H 1 0.782 0.003 A 24 ILE HG1y H 1 1.393 0.009 A 24 ILE HG1x H 1 1.239 0.004 A 24 ILE HG2% H 1 0.923 0.004 A 24 ILE C C 13 173.741 0.000 A 24 ILE CA C 13 58.208 0.037 A 24 ILE CB C 13 35.697 0.034 A 24 ILE N N 15 120.895 0.055 A 25 THR H H 1 8.477 0.005 A 25 THR HA H 1 4.647 0.000 A 25 THR CA C 13 57.599 0.000 A 25 THR CB C 13 67.269 0.000 A 25 THR N N 15 123.198 0.036 A 26 PRO HA H 1 4.493 0.000 A 26 PRO HBx H 1 2.314 0.000 A 26 PRO HBy H 1 2.314 0.000 A 26 PRO HDy H 1 3.899 0.001 A 26 PRO HDx H 1 3.730 0.002 A 26 PRO HGy H 1 2.044 0.004 A 26 PRO HGx H 1 1.919 0.006 A 26 PRO C C 13 174.452 0.005 A 26 PRO CA C 13 60.456 0.087 A 26 PRO CB C 13 29.405 0.037 A 27 THR H H 1 8.335 0.004 A 27 THR HA H 1 4.263 0.000 A 27 THR HG2% H 1 1.239 0.002 A 27 THR C C 13 172.202 0.049 A 27 THR CA C 13 59.504 0.018 A 27 THR CB C 13 67.503 0.089 A 27 THR N N 15 115.094 0.067 A 28 GLN H H 1 8.630 0.007 A 28 GLN HA H 1 4.267 0.000 A 28 GLN HBy H 1 2.087 0.000 A 28 GLN HBx H 1 2.018 0.000 A 28 GLN HGx H 1 2.375 0.000 A 28 GLN HGy H 1 2.375 0.000 A 28 GLN C C 13 173.772 0.000 A 28 GLN CA C 13 53.766 0.000 A 28 GLN CB C 13 26.110 0.000 A 28 GLN N N 15 122.489 0.040 A 29 GLN HA H 1 4.256 0.000 A 29 GLN HBy H 1 2.070 0.000 A 29 GLN HBx H 1 1.993 0.000 A 29 GLN HGx H 1 2.378 0.000 A 29 GLN HGy H 1 2.378 0.000 A 29 GLN N N 15 121.081 0.000 A 30 GLN H H 1 8.438 0.000 A 31 ARG HBx H 1 1.807 0.000 A 31 ARG HBy H 1 1.807 0.000 A 31 ARG HGx H 1 1.637 0.000 A 31 ARG HGy H 1 1.637 0.000 A 32 GLN H H 1 8.388 0.003 A 32 GLN HA H 1 4.249 0.002 A 32 GLN HBx H 1 2.063 0.000 A 32 GLN HBy H 1 2.063 0.000 A 32 GLN HGx H 1 2.374 0.001 A 32 GLN HGy H 1 2.374 0.001 A 32 GLN C C 13 173.639 0.015 A 32 GLN CA C 13 53.771 0.035 A 32 GLN CB C 13 26.409 0.003 A 32 GLN N N 15 121.700 0.000 A 33 VAL H H 1 8.106 0.006 A 33 VAL HA H 1 4.034 0.002 A 33 VAL HB H 1 2.071 0.000 A 33 VAL HGx% H 1 0.950 0.007 A 33 VAL HGy% H 1 0.950 0.007 A 33 VAL C C 13 173.898 0.031 A 33 VAL CA C 13 60.799 0.089 A 33 VAL CB C 13 29.696 0.051 A 33 VAL N N 15 120.952 0.043 A 34 GLN H H 1 8.289 0.005 A 34 GLN HA H 1 4.309 0.005 A 34 GLN HBx H 1 2.057 0.001 A 34 GLN HBy H 1 2.057 0.001 A 34 GLN HGx H 1 2.369 0.006 A 34 GLN HGy H 1 2.369 0.006 A 34 GLN C C 13 173.739 0.026 A 34 GLN CA C 13 53.732 0.046 A 34 GLN CB C 13 26.372 0.068 A 34 GLN N N 15 123.254 0.036 A 35 LEU H H 1 8.317 0.005 A 35 LEU HA H 1 4.298 0.000 A 35 LEU HBx H 1 1.673 0.008 A 35 LEU HBy H 1 1.673 0.008 A 35 LEU HDx% H 1 0.876 0.004 A 35 LEU HDy% H 1 0.876 0.004 A 35 LEU HG H 1 1.564 0.000 A 35 LEU C C 13 175.147 0.051 A 35 LEU CA C 13 53.541 0.055 A 35 LEU CB C 13 39.603 0.072 A 35 LEU N N 15 123.751 0.037 A 36 ASP H H 1 8.401 0.004 A 36 ASP HA H 1 4.542 0.002 A 36 ASP HBx H 1 2.694 0.005 A 36 ASP HBy H 1 2.694 0.005 A 36 ASP C C 13 174.118 0.043 A 36 ASP CA C 13 52.137 0.068 A 36 ASP CB C 13 38.240 0.110 A 36 ASP N N 15 121.155 0.103 A 37 ALA H H 1 8.220 0.006 A 37 ALA HA H 1 4.223 0.000 A 37 ALA HB% H 1 1.433 0.001 A 37 ALA C C 13 176.195 0.017 A 37 ALA CA C 13 51.291 0.168 A 37 ALA CB C 13 15.878 0.089 A 37 ALA N N 15 124.188 0.071 A 38 GLN H H 1 8.233 0.006 A 38 GLN HA H 1 4.215 0.000 A 38 GLN HBy H 1 2.136 0.001 A 38 GLN HBx H 1 2.072 0.006 A 38 GLN HGx H 1 2.397 0.002 A 38 GLN HGy H 1 2.397 0.002 A 38 GLN C C 13 174.283 0.050 A 38 GLN CA C 13 54.215 0.051 A 38 GLN CB C 13 26.131 0.018 A 38 GLN N N 15 118.170 0.022 A 39 ALA H H 1 8.092 0.004 A 39 ALA HA H 1 4.216 0.000 A 39 ALA HB% H 1 1.438 0.000 A 39 ALA C C 13 175.898 0.046 A 39 ALA CA C 13 50.840 0.011 A 39 ALA CB C 13 15.836 0.163 A 39 ALA N N 15 123.959 0.059 A 40 ALA H H 1 8.131 0.010 A 40 ALA HA H 1 4.217 0.000 A 40 ALA HB% H 1 1.426 0.000 A 40 ALA C C 13 175.945 0.041 A 40 ALA CA C 13 50.579 0.123 A 40 ALA CB C 13 15.831 0.093 A 40 ALA N N 15 121.646 0.080 A 41 GLN H H 1 8.085 0.003 A 41 GLN HA H 1 4.223 0.000 A 41 GLN HBy H 1 2.131 0.000 A 41 GLN HBx H 1 2.042 0.000 A 41 GLN HGx H 1 2.403 0.000 A 41 GLN HGy H 1 2.403 0.000 A 41 GLN C C 13 173.838 0.032 A 41 GLN CA C 13 53.970 0.000 A 41 GLN CB C 13 26.423 0.012 A 41 GLN N N 15 118.411 0.059 A 42 GLN H H 1 8.316 0.005 A 42 GLN HA H 1 4.245 0.000 A 42 GLN HBx H 1 2.060 0.000 A 42 GLN HBy H 1 2.060 0.000 A 42 GLN HGx H 1 2.383 0.004 A 42 GLN HGy H 1 2.383 0.004 A 42 GLN C C 13 173.794 0.045 A 42 GLN CA C 13 53.947 0.107 A 42 GLN CB C 13 26.278 0.130 A 42 GLN N N 15 121.337 0.041 A 43 LEU H H 1 8.086 0.003 A 43 LEU HA H 1 4.263 0.004 A 43 LEU HBx H 1 1.630 0.000 A 43 LEU HBy H 1 1.630 0.000 A 43 LEU HDx% H 1 0.880 0.000 A 43 LEU HDy% H 1 0.880 0.000 A 43 LEU HG H 1 1.505 0.000 A 43 LEU C C 13 174.838 0.026 A 43 LEU CA C 13 53.590 0.075 A 43 LEU CB C 13 39.488 0.162 A 43 LEU N N 15 122.334 0.042 A 44 GLN H H 1 8.171 0.007 A 44 GLN HA H 1 4.246 0.003 A 44 GLN HBy H 1 2.119 0.000 A 44 GLN HBx H 1 2.032 0.000 A 44 GLN HGx H 1 2.395 0.000 A 44 GLN HGy H 1 2.395 0.000 A 44 GLN C C 13 173.180 0.017 A 44 GLN CA C 13 53.568 0.054 A 44 GLN CB C 13 26.404 0.074 A 44 GLN N N 15 119.940 0.041 A 45 TYR H H 1 8.203 0.005 A 45 TYR HA H 1 4.590 0.004 A 45 TYR HBy H 1 3.100 0.001 A 45 TYR HBx H 1 2.957 0.006 A 45 TYR C C 13 173.852 0.019 A 45 TYR CA C 13 55.558 0.048 A 45 TYR CB C 13 36.075 0.108 A 45 TYR N N 15 120.726 0.027 A 46 GLY H H 1 8.330 0.005 A 46 GLY HAx H 1 3.925 0.000 A 46 GLY HAy H 1 3.925 0.000 A 46 GLY C C 13 171.915 0.005 A 46 GLY CA C 13 42.703 0.047 A 46 GLY N N 15 110.863 0.060 A 47 GLY H H 1 7.933 0.006 A 47 GLY HAx H 1 3.920 0.001 A 47 GLY HAy H 1 3.920 0.001 A 47 GLY C C 13 170.935 0.031 A 47 GLY CA C 13 42.527 0.160 A 47 GLY N N 15 108.305 0.067 A 48 ALA H H 1 8.168 0.004 A 48 ALA HA H 1 4.376 0.001 A 48 ALA HB% H 1 1.372 0.001 A 48 ALA C C 13 175.204 0.019 A 48 ALA CA C 13 49.874 0.049 A 48 ALA CB C 13 16.353 0.091 A 48 ALA N N 15 123.644 0.029 A 49 VAL H H 1 8.160 0.004 A 49 VAL HA H 1 4.121 0.000 A 49 VAL HB H 1 2.077 0.000 A 49 VAL HGx% H 1 0.945 0.000 A 49 VAL HGy% H 1 0.945 0.000 A 49 VAL C C 13 174.043 0.051 A 49 VAL CA C 13 59.941 0.029 A 49 VAL CB C 13 29.831 0.087 A 49 VAL N N 15 119.466 0.074 A 50 GLY H H 1 8.463 0.004 A 50 GLY HAy H 1 4.109 0.000 A 50 GLY HAx H 1 3.994 0.000 A 50 GLY C C 13 171.479 0.028 A 50 GLY CA C 13 42.397 0.084 A 50 GLY N N 15 112.457 0.033 A 51 THR H H 1 8.065 0.005 A 51 THR HA H 1 4.381 0.000 A 51 THR C C 13 171.816 0.039 A 51 THR CA C 13 59.270 0.065 A 51 THR CB C 13 67.527 0.072 A 51 THR N N 15 114.123 0.058 A 52 VAL H H 1 8.228 0.007 A 52 VAL HA H 1 4.197 0.006 A 52 VAL HB H 1 2.089 0.000 A 52 VAL C C 13 172.871 0.033 A 52 VAL CA C 13 59.596 0.117 A 52 VAL CB C 13 30.058 0.058 A 52 VAL N N 15 122.518 0.075 A 53 GLY H H 1 8.052 0.006 A 53 GLY HAx H 1 3.776 0.000 A 53 GLY HAy H 1 3.776 0.000 A 53 GLY C C 13 176.184 0.000 A 53 GLY CA C 13 43.358 0.000 A 53 GLY N N 15 119.084 0.050 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 noe _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 12 VAL H A 13 TYR H 1.0 . 4.67 2 2 A 13 TYR H A 14 ILE H 1.0 . 4.93 3 3 A 12 VAL H A 5 VAL H 1.0 . 4.63 4 4 A 1 MET H A 1 MET HGy 1.0 . 3.84 5 5 A 1 MET H A 1 MET HGx 1.0 . 3.84 6 6 A 1 MET H A 1 MET HBx 1.0 . 3.10 7 6 A 1 MET H A 1 MET HBy 1.0 . 3.10 8 7 A 1 MET HGy A 2 ALA H 1.0 . 4.57 9 8 A 1 MET HGx A 2 ALA H 1.0 . 4.57 10 9 A 2 ALA H A 1 MET HBx 1.0 . 3.75 11 9 A 1 MET HBy A 2 ALA H 1.0 . 3.75 12 10 A 3 THR H A 4 THR H 1.0 . 4.41 13 11 A 2 ALA H A 3 THR H 1.0 . 4.52 14 12 A 3 THR H A 3 THR HG2% 1.0 . 4.04 15 13 A 4 THR H A 4 THR HB 1.0 . 3.35 16 14 A 4 THR H A 4 THR HG2% 1.0 . 3.86 17 15 A 4 THR H A 3 THR HG2% 1.0 . 3.73 18 16 A 5 VAL H A 4 THR H 1.0 . 4.30 19 17 A 5 VAL H A 5 VAL HGx% 1.0 . 3.86 20 17 A 5 VAL H A 5 VAL HGy% 1.0 . 3.86 21 18 A 5 VAL H A 4 THR HG2% 1.0 . 4.18 22 19 A 5 VAL H A 6 SER H 1.0 . 4.50 23 20 A 6 SER H A 6 SER HBx 1.0 . 3.42 24 20 A 6 SER H A 6 SER HBy 1.0 . 3.42 25 21 A 6 SER H A 5 VAL HB 1.0 . 4.13 26 22 A 6 SER H A 5 VAL HGx% 1.0 . 3.31 27 22 A 5 VAL HGy% A 6 SER H 1.0 . 3.31 28 23 A 12 VAL H A 7 THR H 1.0 . 4.42 29 24 A 6 SER H A 7 THR H 1.0 . 4.38 30 25 A 5 VAL H A 7 THR H 1.0 . 5.31 31 26 A 13 TYR H A 7 THR H 1.0 . 4.93 32 27 A 7 THR H A 9 ARG H 1.0 . 4.95 33 28 A 7 THR H A 6 SER HA 1.0 . 3.52 34 29 A 7 THR H A 6 SER HBx 1.0 . 3.86 35 29 A 6 SER HBy A 7 THR H 1.0 . 3.86 36 30 A 7 THR H A 9 ARG HBx 1.0 . 4.20 37 30 A 7 THR H A 9 ARG HBy 1.0 . 4.20 38 31 A 9 ARG H A 10 GLY H 1.0 . 3.99 39 32 A 9 ARG H A 8 GLN HGx 1.0 . 4.77 40 32 A 9 ARG H A 8 GLN HGy 1.0 . 4.77 41 33 A 9 ARG H A 9 ARG HBx 1.0 . 4.14 42 33 A 9 ARG H A 9 ARG HBy 1.0 . 4.14 43 34 A 9 ARG H A 9 ARG HGy 1.0 . 4.46 44 35 A 9 ARG H A 9 ARG HGx 1.0 . 4.46 45 36 A 14 ILE H A 3 THR H 1.0 . 4.50 46 37 A 14 ILE H A 5 VAL H 1.0 . 4.90 47 38 A 14 ILE H A 2 ALA H 1.0 . 5.19 48 39 A 14 ILE H A 4 THR H 1.0 . 4.70 49 40 A 14 ILE H A 14 ILE HG1x 1.0 . 4.28 50 41 A 14 ILE H A 14 ILE HG1y 1.0 . 4.28 51 42 A 2 ALA H A 15 GLY H 1.0 . 4.97 52 43 A 15 GLY H A 16 GLU H 1.0 . 4.40 53 44 A 14 ILE H A 15 GLY H 1.0 . 4.88 54 45 A 15 GLY H A 14 ILE HG2% 1.0 . 3.99 55 46 A 15 GLY H A 14 ILE HB 1.0 . 3.77 56 47 A 14 ILE H A 14 ILE HG2% 1.0 . 4.10 57 48 A 2 ALA H A 16 GLU H 1.0 . 4.10 58 49 A 3 THR H A 16 GLU H 1.0 . 4.48 59 50 A 16 GLU H A 16 GLU HGx 1.0 . 3.83 60 50 A 16 GLU H A 16 GLU HGy 1.0 . 3.83 61 51 A 16 GLU H A 1 MET HBx 1.0 . 4.21 62 51 A 1 MET HBy A 16 GLU H 1.0 . 4.21 63 52 A 16 GLU H A 16 GLU HBy 1.0 . 3.73 64 53 A 16 GLU H A 16 GLU HBx 1.0 . 3.73 65 54 A 16 GLU H A 17 LEU H 1.0 . 4.77 66 55 A 17 LEU H A 16 GLU HGx 1.0 . 4.26 67 55 A 16 GLU HGy A 17 LEU H 1.0 . 4.26 68 56 A 17 LEU H A 17 LEU HBx 1.0 . 3.87 69 56 A 17 LEU H A 17 LEU HBy 1.0 . 3.87 70 57 A 17 LEU H A 17 LEU HG 1.0 . 4.08 71 58 A 17 LEU H A 17 LEU HDx% 1.0 . 4.22 72 59 A 20 ASP H A 19 GLN HBx 1.0 . 3.71 73 59 A 19 GLN HBy A 20 ASP H 1.0 . 3.71 74 60 A 20 ASP H A 19 GLN HGx 1.0 . 3.77 75 60 A 20 ASP H A 19 GLN HGy 1.0 . 3.77 76 61 A 20 ASP H A 20 ASP HBx 1.0 . 4.00 77 61 A 20 ASP H A 20 ASP HBy 1.0 . 4.00 78 62 A 13 TYR H A 20 ASP H 1.0 . 4.82 79 63 A 21 PHE H A 22 LEU H 1.0 . 4.81 80 64 A 22 LEU H A 22 LEU HG 1.0 . 4.98 81 65 A 6 SER H A 5 VAL HA 1.0 . 3.28 82 66 A 9 ARG H A 7 THR HG2% 1.0 . 4.26 83 67 A 16 GLU H A 1 MET HA 1.0 . 3.94 84 68 A 4 THR H A 3 THR HA 1.0 . 3.43 85 69 A 5 VAL H A 4 THR HB 1.0 . 4.87 86 70 A 12 VAL H A 6 SER HA 1.0 . 4.43 87 71 A 15 GLY H A 1 MET HA 1.0 . 4.72 88 72 A 2 ALA H A 16 GLU HGx 1.0 . 4.67 89 72 A 2 ALA H A 16 GLU HGy 1.0 . 4.67 90 73 A 2 ALA H A 16 GLU HBy 1.0 . 4.38 91 74 A 2 ALA H A 16 GLU HBx 1.0 . 4.38 92 75 A 3 THR H A 13 TYR HA 1.0 . 4.84 93 76 A 3 THR H A 14 ILE HG1x 1.0 . 5.03 94 77 A 3 THR H A 14 ILE HG2% 1.0 . 4.90 95 78 A 4 THR H A 5 VAL HGx% 1.0 . 4.20 96 78 A 4 THR H A 5 VAL HGy% 1.0 . 4.20 97 79 A 6 SER H A 11 PRO HA 1.0 . 4.68 98 80 A 7 THR H A 11 PRO HA 1.0 . 4.09 99 81 A 7 THR H A 7 THR HG2% 1.0 . 3.91 100 82 A 7 THR H A 5 VAL HGx% 1.0 . 4.22 101 82 A 5 VAL HGy% A 7 THR H 1.0 . 4.22 102 83 A 10 GLY H A 9 ARG HBx 1.0 . 4.18 103 83 A 9 ARG HBy A 10 GLY H 1.0 . 4.18 104 84 A 12 VAL H A 4 THR HA 1.0 . 4.64 105 85 A 12 VAL H A 12 VAL HB 1.0 . 4.08 106 86 A 12 VAL H A 5 VAL HB 1.0 . 4.13 107 87 A 12 VAL H A 4 THR HG2% 1.0 . 4.23 108 88 A 12 VAL H A 7 THR HG2% 1.0 . 4.42 109 89 A 12 VAL H A 12 VAL HGx% 1.0 . 4.17 110 90 A 12 VAL H A 12 VAL HGy% 1.0 . 4.17 111 91 A 12 VAL H A 4 THR HB 1.0 . 5.04 112 92 A 12 VAL H A 6 SER HBx 1.0 . 5.01 113 92 A 12 VAL H A 6 SER HBy 1.0 . 5.01 114 93 A 12 VAL H A 6 SER H 1.0 . 5.13 115 94 A 14 ILE H A 3 THR HA 1.0 . 5.25 116 95 A 14 ILE H A 2 ALA HA 1.0 . 4.71 117 96 A 14 ILE H A 13 TYR HBx 1.0 . 4.63 118 96 A 14 ILE H A 13 TYR HBy 1.0 . 4.63 119 97 A 15 GLY H A 14 ILE HG1y 1.0 . 4.86 120 98 A 20 ASP H A 21 PHE H 1.0 . 3.97 121 99 A 21 PHE H A 19 GLN HGx 1.0 . 4.48 122 99 A 19 GLN HGy A 21 PHE H 1.0 . 4.48 123 100 A 21 PHE H A 19 GLN HBx 1.0 . 4.35 124 100 A 19 GLN HBy A 21 PHE H 1.0 . 4.35 125 101 A 22 LEU H A 21 PHE HBy 1.0 . 5.08 126 102 A 22 LEU H A 21 PHE HBx 1.0 . 5.08 127 103 A 10 GLY H A 9 ARG HGy 1.0 . 4.81 128 104 A 10 GLY H A 9 ARG HGx 1.0 . 4.81 129 105 A 10 GLY H A 7 THR HG2% 1.0 . 4.50 130 106 A 9 ARG H A 7 THR HA 1.0 . 4.95 131 107 A 9 ARG H A 11 PRO HDx 1.0 . 5.06 132 108 A 9 ARG H A 11 PRO HDy 1.0 . 5.06 133 109 A 3 THR H A 14 ILE HB 1.0 . 5.01 134 110 A 3 THR H A 14 ILE HG1y 1.0 . 5.03 135 111 A 5 VAL H A 11 PRO HA 1.0 . 5.13 136 112 A 5 VAL HB A 7 THR H 1.0 . 4.50 137 113 A 13 TYR H A 12 VAL HGx% 1.0 . 4.19 138 114 A 13 TYR H A 12 VAL HGy% 1.0 . 4.19 139 115 A 2 ALA H A 14 ILE HD1% 1.0 . 3.69 140 116 A 3 THR H A 14 ILE HD1% 1.0 . 3.76 141 117 A 4 THR HG2% A 6 SER H 1.0 . 4.54 142 118 A 6 SER H A 7 THR HG2% 1.0 . 4.62 143 119 A 9 ARG H A 9 ARG HDy 1.0 . 4.96 144 120 A 9 ARG H A 9 ARG HDx 1.0 . 4.96 145 121 A 14 ILE H A 3 THR HG2% 1.0 . 4.92 146 122 A 16 GLU H A 14 ILE HD1% 1.0 . 4.15 147 123 A 17 LEU H A 17 LEU HDy% 1.0 . 4.22 148 124 A 21 PHE H A 17 LEU HDx% 1.0 . 4.96 149 125 A 14 ILE H A 14 ILE HD1% 1.0 . 4.72 150 126 A 14 ILE H A 4 THR HG2% 1.0 . 4.95 151 127 A 14 ILE H A 5 VAL HB 1.0 . 4.88 152 128 A 15 GLY H A 14 ILE HG1x 1.0 . 4.86 153 129 A 15 GLY H A 14 ILE HD1% 1.0 . 4.62 154 130 A 17 LEU H A 1 MET HA 1.0 . 4.92 155 131 A 21 PHE H A 17 LEU HDy% 1.0 . 4.96 156 132 A 2 ALA H A 15 GLY HAy 1.0 . 4.55 157 132 A 2 ALA H A 15 GLY HAx 1.0 . 4.55 158 133 A 3 THR H A 14 ILE HG1x 1.0 . 4.21 159 133 A 3 THR H A 14 ILE HG1y 1.0 . 4.21 160 134 A 3 THR H A 15 GLY HAy 1.0 . 4.38 161 134 A 3 THR H A 15 GLY HAx 1.0 . 4.38 162 135 A 9 ARG H A 11 PRO HDx 1.0 . 4.39 163 135 A 9 ARG H A 11 PRO HDy 1.0 . 4.39 164 136 A 10 GLY H A 11 PRO HDx 1.0 . 4.11 165 136 A 10 GLY H A 11 PRO HDy 1.0 . 4.11 166 137 A 12 VAL H A 12 VAL HGx% 1.0 . 3.48 167 137 A 12 VAL H A 12 VAL HGy% 1.0 . 3.48 168 138 A 14 ILE H A 14 ILE HG1x 1.0 . 3.66 169 138 A 14 ILE H A 14 ILE HG1y 1.0 . 3.66 170 139 A 15 GLY H A 14 ILE HG1x 1.0 . 4.26 171 139 A 15 GLY H A 14 ILE HG1y 1.0 . 4.26 172 140 A 21 PHE H A 17 LEU HDx% 1.0 . 4.31 173 140 A 21 PHE H A 17 LEU HDy% 1.0 . 4.31 174 141 A 22 LEU H A 22 LEU HDx% 1.0 . 4.80 175 141 A 22 LEU H A 22 LEU HD21 1.0 . 4.80 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _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 11 PRO C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -186.2 -68.0 PHI 2 2 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 TYR N 1.0 109.0 181.6 PSI 3 3 A 12 VAL C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -150.9 -71.1 PHI 4 4 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ILE N 1.0 116.6 171.0 PSI 5 5 A 13 TYR C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -166.0 -91.2 PHI 6 6 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 GLY N 1.0 131.1 185.9 PSI 7 7 A 15 GLY C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -144.1 -60.5 PHI 8 8 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 LEU N 1.0 104.7 163.7 PSI 9 9 A 16 GLU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -149.6 -40.9 PHI 10 10 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 PRO N 1.0 86.0 188.2 PSI stop_ save_