data_nef_c17681_2lds 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 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 11 CYS SG 1 23 CYS SG 1 17 CYS SG 1 29 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 ASP start . . 2 A 2 PHE middle . . 3 A 3 PRO middle . false 4 A 4 LEU middle . . 5 A 5 SER middle . . 6 A 6 LYS middle . . 7 A 7 GLU middle . . 8 A 8 TYR middle . . 9 A 9 GLU middle . . 10 A 10 THR middle . . 11 A 11 CYS middle -HG . 12 A 12 VAL middle . . 13 A 13 ARG middle . . 14 A 14 PRO middle . false 15 A 15 ARG middle . . 16 A 16 LYS middle . . 17 A 17 CYS middle -HG . 18 A 18 GLN middle . . 19 A 19 PRO middle . false 20 A 20 PRO middle . false 21 A 21 LEU middle . . 22 A 22 LYS middle . . 23 A 23 CYS middle -HG . 24 A 24 ASN middle . . 25 A 25 LYS middle . . 26 A 26 ALA middle . . 27 A 27 GLN middle . . 28 A 28 ILE middle . . 29 A 29 CYS middle -HG . 30 A 30 VAL middle . . 31 A 31 ASP middle . . 32 A 32 PRO middle . false 33 A 33 LYS middle . . 34 A 34 LYS middle . . 35 A 35 GLY middle . false 36 A 36 TRP 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 ASP H1 H 1 8.225 0.001 A 1 ASP HA H 1 4.519 0.007 A 1 ASP HBx H 1 2.416 0.005 A 1 ASP HBy H 1 2.516 0.002 A 1 ASP CA C 13 54.062 0 A 1 ASP CB C 13 41.515 0.024 A 1 ASP N N 15 122.299 0.011 A 2 PHE H H 1 8.111 0.003 A 2 PHE HA H 1 4.795 0.021 A 2 PHE HBx H 1 2.775 0.018 A 2 PHE HBy H 1 3.085 0.014 A 2 PHE HDx H 1 7.258 0.013 A 2 PHE HDy H 1 7.258 0.013 A 2 PHE HEx H 1 7.258 0.013 A 2 PHE HEy H 1 7.258 0.013 A 2 PHE CA C 13 55.848 0 A 2 PHE CB C 13 39.777 0.026 A 2 PHE N N 15 120.168 0.04 A 3 PRO HA H 1 4.543 0.003 A 3 PRO HBx H 1 1.918 0.009 A 3 PRO HBy H 1 2.328 0.008 A 3 PRO HDx H 1 3.648 0.002 A 3 PRO HDy H 1 3.851 0.003 A 3 PRO CA C 13 62.381 0.011 A 3 PRO CB C 13 32.059 0.027 A 3 PRO CD C 13 50.554 0.018 A 4 LEU H H 1 8.549 0.014 A 4 LEU HA H 1 4.595 0.008 A 4 LEU HBx H 1 1.182 0.006 A 4 LEU HBy H 1 1.748 0.013 A 4 LEU HDx% H 1 0.84 0.017 A 4 LEU HDy% H 1 1.798 0 A 4 LEU HG H 1 0.976 0.012 A 4 LEU CA C 13 55.081 0.08 A 4 LEU CB C 13 42.364 0.013 A 4 LEU CDx C 13 23.568 0.008 A 4 LEU CDy C 13 26.935 0 A 4 LEU CG C 13 26.354 0.005 A 4 LEU N N 15 122.876 0.012 A 5 SER H H 1 9.307 0.023 A 5 SER HA H 1 4.441 0.018 A 5 SER HBx H 1 3.817 0.002 A 5 SER HBy H 1 3.846 0.001 A 5 SER CA C 13 59.423 0.021 A 5 SER CB C 13 66.092 0.022 A 5 SER N N 15 121.367 0.007 A 6 LYS H H 1 8.804 0.009 A 6 LYS HA H 1 4.223 0.008 A 6 LYS HBx H 1 1.503 0.002 A 6 LYS HBy H 1 1.977 0.005 A 6 LYS HDx H 1 1.657 0 A 6 LYS HDy H 1 1.657 0 A 6 LYS HEx H 1 3.032 0.005 A 6 LYS HEy H 1 3.032 0.005 A 6 LYS HGx H 1 1.369 0.002 A 6 LYS HGy H 1 1.503 0.001 A 6 LYS CA C 13 54.22 0.024 A 6 LYS CB C 13 33.256 0.023 A 6 LYS CG C 13 25.135 0.033 A 6 LYS N N 15 122.742 0.028 A 7 GLU H H 1 8.034 0.017 A 7 GLU HA H 1 3.266 0.004 A 7 GLU HBx H 1 1.651 0 A 7 GLU HBy H 1 1.651 0 A 7 GLU HGx H 1 1.194 0.003 A 7 GLU HGy H 1 1.663 0.007 A 7 GLU CA C 13 59.098 0.019 A 7 GLU CB C 13 29.29 0 A 7 GLU CG C 13 35.626 0.016 A 7 GLU N N 15 120.659 0.023 A 8 TYR H H 1 9.324 0.01 A 8 TYR HA H 1 3.935 0.009 A 8 TYR HBx H 1 3.296 0.003 A 8 TYR HBy H 1 3.41 0.008 A 8 TYR HDx H 1 7.019 0.005 A 8 TYR HDy H 1 7.019 0.005 A 8 TYR HEx H 1 6.797 0.003 A 8 TYR HEy H 1 6.797 0.003 A 8 TYR CA C 13 60.557 0.003 A 8 TYR CB C 13 35.248 0.042 A 8 TYR CDx C 13 132.536 0 A 8 TYR CEx C 13 118.327 0 A 8 TYR N N 15 116.938 0.038 A 9 GLU H H 1 8.132 0.013 A 9 GLU HA H 1 4.507 0.003 A 9 GLU HBx H 1 2.088 0.002 A 9 GLU HBy H 1 2.368 0.002 A 9 GLU CA C 13 55.436 0 A 9 GLU CB C 13 30.638 0.012 A 9 GLU N N 15 119.307 0.038 A 10 THR H H 1 8.095 0.006 A 10 THR HA H 1 4.586 0.003 A 10 THR HB H 1 4.307 0.01 A 10 THR HG2% H 1 1.125 0.012 A 10 THR CA C 13 61.753 0.012 A 10 THR CB C 13 69.408 0.026 A 10 THR CG2 C 13 19.894 0.06 A 10 THR N N 15 112.232 0.016 A 11 CYS H H 1 8.344 0.012 A 11 CYS HA H 1 4.533 0.009 A 11 CYS HBx H 1 2.952 0.009 A 11 CYS HBy H 1 3.273 0.006 A 11 CYS CA C 13 55.588 0.069 A 11 CYS CB C 13 44.094 0.045 A 11 CYS N N 15 119.943 0.018 A 12 VAL H H 1 7.402 0.011 A 12 VAL HA H 1 3.811 0.004 A 12 VAL HB H 1 1.804 0.007 A 12 VAL HGx% H 1 1.005 0.001 A 12 VAL HGy% H 1 1.01 0 A 12 VAL CA C 13 63.381 0.052 A 12 VAL CB C 13 32.099 0 A 12 VAL CGy C 13 21.909 0.044 A 12 VAL CGx C 13 20.785 0 A 12 VAL N N 15 121.481 0.021 A 13 ARG H H 1 8.598 0.005 A 13 ARG HA H 1 4.303 0.008 A 13 ARG CA C 13 55.594 0 A 13 ARG CB C 13 29.255 0 A 13 ARG N N 15 129.794 0.045 A 14 PRO HA H 1 4.555 0.002 A 14 PRO HBx H 1 2.085 0.005 A 14 PRO HBy H 1 2.43 0.004 A 14 PRO HDx H 1 3.293 0.008 A 14 PRO HDy H 1 3.543 0.02 A 14 PRO HGx H 1 1.542 0 A 14 PRO HGy H 1 1.994 0.013 A 14 PRO CA C 13 63.969 0.006 A 14 PRO CB C 13 33.342 0.057 A 14 PRO CD C 13 49.322 0.023 A 14 PRO CG C 13 24.423 0.061 A 15 ARG H H 1 8.693 0.012 A 15 ARG HA H 1 4.278 0.006 A 15 ARG HBx H 1 1.526 0.008 A 15 ARG HBy H 1 1.671 0.007 A 15 ARG HDx H 1 2.801 0 A 15 ARG HDy H 1 2.833 0 A 15 ARG HGx H 1 1.346 0.004 A 15 ARG HGy H 1 1.346 0.004 A 15 ARG CA C 13 56.888 0 A 15 ARG CB C 13 30.539 0.042 A 15 ARG CD C 13 43.052 0.004 A 15 ARG CG C 13 28.223 0.012 A 15 ARG N N 15 126.618 0.021 A 16 LYS H H 1 8.609 0.002 A 16 LYS HA H 1 4.541 0.005 A 16 LYS HBy H 1 1.815 0.003 A 16 LYS HGx H 1 1.382 0.005 A 16 LYS CA C 13 54.204 0 A 16 LYS CB C 13 36.222 0.011 A 16 LYS N N 15 119.478 0.075 A 17 CYS H H 1 8.815 0.005 A 17 CYS HA H 1 4.599 0.009 A 17 CYS HBx H 1 2.314 0.007 A 17 CYS HBy H 1 2.666 0.009 A 17 CYS CA C 13 54.273 0.108 A 17 CYS CB C 13 39.626 0.023 A 17 CYS N N 15 117.793 0.018 A 18 GLN H H 1 9.357 0.007 A 18 GLN HA H 1 4.268 0.01 A 18 GLN HBx H 1 1.833 0.003 A 18 GLN HBy H 1 1.959 0.003 A 18 GLN HE2x H 1 6.834 0 A 18 GLN HE2y H 1 7.473 0 A 18 GLN HGx H 1 2.246 0.001 A 18 GLN HGy H 1 2.439 0.004 A 18 GLN CA C 13 53.981 0.027 A 18 GLN CB C 13 29.268 0.026 A 18 GLN CG C 13 33.022 0.071 A 18 GLN N N 15 125.666 0.026 A 18 GLN NE2 N 15 111.695 0 A 19 PRO HBx H 1 1.791 0.002 A 19 PRO HBy H 1 2.348 0 A 19 PRO HDx H 1 3.665 0.018 A 19 PRO HDy H 1 4.088 0.013 A 19 PRO HGx H 1 2.01 0 A 19 PRO HGy H 1 2.113 0.002 A 19 PRO CB C 13 30.732 0.021 A 19 PRO CD C 13 50.786 0.038 A 19 PRO CG C 13 28.08 0.021 A 20 PRO HA H 1 4.666 0.007 A 20 PRO HBx H 1 1.969 0 A 20 PRO HBy H 1 2.476 0.012 A 20 PRO HDx H 1 3.32 0.008 A 20 PRO HDy H 1 3.521 0.002 A 20 PRO HGx H 1 1.541 0 A 20 PRO HGy H 1 1.963 0 A 20 PRO CA C 13 64.107 0.04 A 20 PRO CB C 13 32.51 0.007 A 20 PRO CD C 13 49.13 0.041 A 20 PRO CG C 13 24.349 0.006 A 21 LEU H H 1 8.711 0.007 A 21 LEU HA H 1 4.184 0.008 A 21 LEU HBx H 1 1.028 0.009 A 21 LEU HBy H 1 1.885 0.005 A 21 LEU HDx% H 1 0.564 0.018 A 21 LEU HDy% H 1 1.694 0.003 A 21 LEU HG H 1 0.754 0.002 A 21 LEU CA C 13 55.562 0.042 A 21 LEU CB C 13 41.751 0.018 A 21 LEU CDx C 13 21.566 0.037 A 21 LEU CDy C 13 26.879 0 A 21 LEU CG C 13 26.4 0.091 A 21 LEU N N 15 122.986 0.025 A 22 LYS H H 1 9.008 0.015 A 22 LYS HA H 1 4.544 0.004 A 22 LYS HBx H 1 1.537 0.001 A 22 LYS HGx H 1 1.244 0.004 A 22 LYS HGy H 1 1.277 0.004 A 22 LYS CA C 13 53.608 0 A 22 LYS CB C 13 36.331 0.011 A 22 LYS CG C 13 24.553 0.036 A 22 LYS N N 15 118.732 0.032 A 23 CYS H H 1 8.65 0.014 A 23 CYS HA H 1 4.71 0.017 A 23 CYS HBx H 1 3.038 0.011 A 23 CYS HBy H 1 3.12 0.007 A 23 CYS CB C 13 40.073 0.013 A 23 CYS N N 15 123.466 0.031 A 24 ASN H H 1 8.862 0.011 A 24 ASN HA H 1 4.756 0.003 A 24 ASN HBx H 1 2.74 0.005 A 24 ASN HBy H 1 3.648 0.007 A 24 ASN HD2x H 1 6.653 0.009 A 24 ASN HD2y H 1 7.06 0.009 A 24 ASN CA C 13 51.925 0 A 24 ASN CB C 13 38.905 0.03 A 24 ASN N N 15 130.764 0.025 A 24 ASN ND2 N 15 109.768 0.05 A 25 LYS H H 1 8.268 0.008 A 25 LYS HA H 1 4.022 0.008 A 25 LYS HBx H 1 1.813 0 A 25 LYS HBy H 1 1.813 0 A 25 LYS CA C 13 58.98 0.036 A 25 LYS CB C 13 31.875 0 A 25 LYS N N 15 117.853 0.021 A 26 ALA H H 1 7.285 0.008 A 26 ALA HA H 1 4.37 0.005 A 26 ALA HB% H 1 1.365 0.004 A 26 ALA CA C 13 51.595 0.061 A 26 ALA CB C 13 18.192 0.004 A 26 ALA N N 15 122.085 0.025 A 27 GLN H H 1 8.217 0.011 A 27 GLN HA H 1 3.827 0.006 A 27 GLN HBx H 1 1.819 0.004 A 27 GLN HBy H 1 2.364 0.004 A 27 GLN HE2x H 1 6.775 0.008 A 27 GLN HE2y H 1 7.526 0.001 A 27 GLN HGx H 1 2.088 0.003 A 27 GLN HGy H 1 2.154 0.008 A 27 GLN CA C 13 57.322 0.037 A 27 GLN CB C 13 26.287 0.024 A 27 GLN CG C 13 35.135 0.025 A 27 GLN N N 15 112.592 0.02 A 27 GLN NE2 N 15 112.444 0.058 A 28 ILE H H 1 7.727 0.009 A 28 ILE HA H 1 4.631 0.005 A 28 ILE HB H 1 1.422 0.016 A 28 ILE HD1% H 1 0.756 0.002 A 28 ILE HG1x H 1 0.942 0.006 A 28 ILE HG1y H 1 1.244 0.009 A 28 ILE HG2% H 1 0.727 0.008 A 28 ILE CA C 13 59.43 0.028 A 28 ILE CB C 13 41.862 0.015 A 28 ILE CD1 C 13 13.28 0.012 A 28 ILE CG1 C 13 26.101 0.094 A 28 ILE CG2 C 13 18.119 0.063 A 28 ILE N N 15 117.853 0.018 A 29 CYS H H 1 8.151 0.011 A 29 CYS HA H 1 4.965 0.012 A 29 CYS HBx H 1 2.382 0.005 A 29 CYS HBy H 1 3.009 0.01 A 29 CYS CA C 13 54.759 0.054 A 29 CYS CB C 13 40.213 0.027 A 29 CYS N N 15 121.223 0.02 A 30 VAL H H 1 9.37 0.009 A 30 VAL HA H 1 4.77 0.016 A 30 VAL HB H 1 1.935 0.008 A 30 VAL HGx% H 1 0.691 0.001 A 30 VAL HGy% H 1 0.744 0.002 A 30 VAL CA C 13 58.888 0 A 30 VAL CB C 13 36.172 0.021 A 30 VAL CGy C 13 21.961 0.003 A 30 VAL CGx C 13 18.881 0.004 A 30 VAL N N 15 117.79 0.023 A 31 ASP H H 1 9.17 0.01 A 31 ASP HA H 1 4.745 0.004 A 31 ASP HBx H 1 2.326 0.012 A 31 ASP HBy H 1 2.789 0.006 A 31 ASP CA C 13 50.856 0 A 31 ASP CB C 13 42.34 0.026 A 31 ASP N N 15 122.993 0.023 A 32 PRO HA H 1 4.402 0.011 A 32 PRO HBx H 1 2.024 0.003 A 32 PRO HBy H 1 2.189 0.002 A 32 PRO HDx H 1 4.023 0.005 A 32 PRO HDy H 1 4.108 0.004 A 32 PRO HGx H 1 1.938 0 A 32 PRO CA C 13 64.273 0.013 A 32 PRO CB C 13 32.4 0.024 A 32 PRO CD C 13 51.384 0.036 A 32 PRO CG C 13 27.384 0 A 33 LYS H H 1 8.457 0.015 A 33 LYS HA H 1 4.13 0.007 A 33 LYS CA C 13 57.578 0 A 33 LYS N N 15 118.066 0.022 A 34 LYS H H 1 7.784 0.006 A 34 LYS HA H 1 4.26 0.001 A 34 LYS CA C 13 56.803 0 A 34 LYS CB C 13 33.071 0 A 34 LYS N N 15 118.755 0.033 A 35 GLY H H 1 7.842 0.004 A 35 GLY HAx H 1 3.764 0.011 A 35 GLY HAy H 1 3.986 0.004 A 35 GLY CA C 13 45.45 0.012 A 35 GLY N N 15 108.028 0.009 A 36 TRP H H 1 7.459 0.009 A 36 TRP HA H 1 4.481 0.007 A 36 TRP HBx H 1 3.073 0.005 A 36 TRP HBy H 1 3.306 0.007 A 36 TRP HD1 H 1 7.214 0 A 36 TRP HE1 H 1 10.074 0 A 36 TRP CA C 13 58.576 0.051 A 36 TRP CB C 13 30.627 0.013 A 36 TRP N N 15 125.781 0.028 A 36 TRP NE1 N 15 128.617 0 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 22 LYS H A 22 LYS HGy 1.0 . 7.83 2 1 A 22 LYS H A 22 LYS HGx 1.0 . 7.83 3 2 A 6 LYS H A 5 SER HBx 1.0 . 3.73 4 2 A 5 SER HBy A 6 LYS H 1.0 . 3.73 5 3 A 12 VAL H A 12 VAL HGx% 1.0 . 8.01 6 3 A 12 VAL H A 12 VAL HGy% 1.0 . 8.01 7 4 A 12 VAL HB A 13 ARG H 1.0 . 4.30 8 5 A 13 ARG H A 12 VAL HGx% 1.0 . 8.89 9 5 A 12 VAL HGy% A 13 ARG H 1.0 . 8.89 10 6 A 22 LYS H A 29 CYS HA 1.0 . 6.90 11 7 A 29 CYS HA A 24 ASN H 1.0 . 6.06 12 8 A 26 ALA HB% A 27 GLN H 1.0 . 8.02 13 9 A 1 ASP H1 A 2 PHE HA 1.0 . 4.97 14 10 A 9 GLU H A 8 TYR HBy 1.0 . 7.88 15 10 A 8 TYR HBx A 9 GLU H 1.0 . 7.88 16 11 A 12 VAL H A 13 ARG HA 1.0 . 6.69 17 12 A 17 CYS H A 5 SER HBx 1.0 . 7.88 18 12 A 5 SER HBy A 17 CYS H 1.0 . 7.88 19 13 A 18 GLN H A 5 SER HBx 1.0 . 7.88 20 13 A 5 SER HBy A 18 GLN H 1.0 . 7.88 21 14 A 28 ILE HG2% A 30 VAL H 1.0 . 6.51 22 15 A 12 VAL H A 11 CYS H 1.0 . 4.61 23 16 A 35 GLY H A 36 TRP H 1.0 . 5.28 24 17 A 33 LYS H A 34 LYS H 1.0 . 4.76 25 18 A 22 LYS H A 30 VAL H 1.0 . 5.23 26 19 A 4 LEU H A 4 LEU HG 1.0 . 6.43 27 20 A 6 LYS H A 6 LYS HDx 1.0 . 7.88 28 20 A 6 LYS H A 6 LYS HDy 1.0 . 7.88 29 21 A 28 ILE HG2% A 8 TYR H 1.0 . 7.97 30 22 A 8 TYR H A 7 GLU HBx 1.0 . 7.20 31 22 A 8 TYR H A 7 GLU HBy 1.0 . 7.20 32 23 A 8 TYR H A 28 ILE HB 1.0 . 7.00 33 24 A 9 GLU H A 28 ILE HG2% 1.0 . 8.02 34 25 A 9 GLU H A 8 TYR H 1.0 . 5.13 35 26 A 28 ILE HG2% A 10 THR H 1.0 . 8.02 36 27 A 10 THR H A 27 GLN HA 1.0 . 7.00 37 28 A 11 CYS H A 27 GLN HA 1.0 . 6.90 38 29 A 28 ILE HG2% A 11 CYS H 1.0 . 8.02 39 30 A 11 CYS H A 12 VAL HGx% 1.0 . 6.51 40 30 A 12 VAL HGy% A 11 CYS H 1.0 . 6.51 41 31 A 11 CYS H A 10 THR HG2% 1.0 . 8.02 42 32 A 15 ARG H A 15 ARG HDx 1.0 . 7.88 43 32 A 15 ARG H A 15 ARG HDy 1.0 . 7.88 44 33 A 15 ARG H A 12 VAL HGx% 1.0 . 9.10 45 33 A 12 VAL HGy% A 15 ARG H 1.0 . 9.10 46 34 A 12 VAL HB A 15 ARG H 1.0 . 6.79 47 35 A 18 GLN H A 21 LEU HG 1.0 . 5.96 48 36 A 21 LEU H A 21 LEU HDy% 1.0 . 6.25 49 37 A 22 LYS H A 28 ILE HG2% 1.0 . 8.02 50 38 A 24 ASN H A 28 ILE HG2% 1.0 . 8.02 51 39 A 25 LYS H A 26 ALA H 1.0 . 6.32 52 40 A 26 ALA H A 24 ASN HBy 1.0 . 7.00 53 41 A 26 ALA H A 25 LYS HBx 1.0 . 7.36 54 41 A 26 ALA H A 25 LYS HBy 1.0 . 7.36 55 42 A 26 ALA H A 24 ASN HBx 1.0 . 7.00 56 43 A 27 GLN H A 28 ILE HG2% 1.0 . 8.02 57 44 A 27 GLN H A 28 ILE HA 1.0 . 7.00 58 45 A 28 ILE H A 28 ILE HG1x 1.0 . 5.86 59 46 A 28 ILE H A 28 ILE HG1y 1.0 . 5.86 60 47 A 24 ASN H A 28 ILE H 1.0 . 5.49 61 48 A 28 ILE HG2% A 29 CYS H 1.0 . 7.39 62 49 A 29 CYS H A 8 TYR HA 1.0 . 6.74 63 50 A 30 VAL H A 29 CYS H 1.0 . 6.90 64 51 A 28 ILE HG2% A 31 ASP H 1.0 . 8.02 65 52 A 33 LYS H A 31 ASP HBy 1.0 . 7.00 66 53 A 36 TRP H A 30 VAL HB 1.0 . 6.74 67 54 A 28 ILE HG2% A 36 TRP H 1.0 . 8.02 68 55 A 6 LYS H A 6 LYS HEx 1.0 . 7.88 69 55 A 6 LYS H A 6 LYS HEy 1.0 . 7.88 70 56 A 12 VAL H A 13 ARG H 1.0 . 7.00 71 57 A 27 GLN H A 26 ALA H 1.0 . 4.50 72 58 A 27 GLN H A 28 ILE H 1.0 . 4.87 73 59 A 24 ASN H A 23 CYS HBy 1.0 . 7.88 74 59 A 24 ASN H A 23 CYS HBx 1.0 . 7.88 75 60 A 29 CYS HA A 23 CYS H 1.0 . 6.74 76 61 A 9 GLU H A 28 ILE HB 1.0 . 7.00 77 62 A 16 LYS H A 2 PHE HBy 1.0 . 7.00 78 63 A 16 LYS H A 2 PHE HBx 1.0 . 7.00 79 64 A 16 LYS H A 11 CYS HBx 1.0 . 7.00 80 65 A 16 LYS H A 11 CYS HBy 1.0 . 7.00 81 66 A 27 GLN H A 25 LYS HA 1.0 . 6.12 82 67 A 33 LYS H A 31 ASP HBx 1.0 . 7.00 83 68 A 34 LYS H A 32 PRO HA 1.0 . 6.38 84 69 A 35 GLY H A 32 PRO HA 1.0 . 6.48 85 70 A 27 GLN HE2x A 12 VAL HGx% 1.0 . 9.10 86 70 A 12 VAL HGy% A 27 GLN HE2x 1.0 . 9.10 87 71 A 27 GLN HE2y A 12 VAL HGx% 1.0 . 9.10 88 71 A 12 VAL HGy% A 27 GLN HE2y 1.0 . 9.10 89 72 A 12 VAL H A 10 THR HB 1.0 . 5.08 90 73 A 10 THR HB A 28 ILE HD1% 1.0 . 6.56 91 74 A 11 CYS H A 10 THR HB 1.0 . 4.40 92 75 A 28 ILE HG2% A 10 THR HA 1.0 . 6.25 93 76 A 28 ILE HG2% A 36 TRP HA 1.0 . 7.39 94 77 A 29 CYS HA A 28 ILE HG2% 1.0 . 7.39 95 78 A 28 ILE HG2% A 8 TYR HBy 1.0 . 6.67 96 79 A 8 TYR HBx A 28 ILE HG2% 1.0 . 6.67 97 80 A 17 CYS HBy A 21 LEU HBx 1.0 . 4.24 98 81 A 27 GLN HGx A 12 VAL HGx% 1.0 . 8.37 99 81 A 12 VAL HGy% A 27 GLN HGx 1.0 . 8.37 100 82 A 12 VAL HGx% A 27 GLN HGy 1.0 . 8.37 101 82 A 12 VAL HGy% A 27 GLN HGy 1.0 . 8.37 102 83 A 27 GLN HA A 27 GLN HGy 1.0 . 3.98 103 84 A 27 GLN HA A 27 GLN HGx 1.0 . 3.98 104 85 A 26 ALA HA A 27 GLN HGx 1.0 . 5.86 105 86 A 26 ALA HA A 27 GLN HGy 1.0 . 5.86 106 87 A 17 CYS HBx A 21 LEU HBx 1.0 . 4.24 107 88 A 17 CYS HBx A 21 LEU HBy 1.0 . 4.24 108 89 A 21 LEU HBy A 17 CYS HBy 1.0 . 4.24 109 90 A 28 ILE HG2% A 24 ASN HBy 1.0 . 5.99 110 91 A 28 ILE HG2% A 24 ASN HBx 1.0 . 5.99 111 92 A 31 ASP HA A 32 PRO HDy 1.0 . 3.62 112 93 A 31 ASP HA A 32 PRO HDx 1.0 . 3.62 113 94 A 30 VAL HB A 31 ASP HA 1.0 . 3.72 114 95 A 17 CYS HA A 5 SER HBx 1.0 . 6.17 115 95 A 5 SER HBy A 17 CYS HA 1.0 . 6.17 116 96 A 28 ILE HB A 8 TYR HA 1.0 . 4.24 117 97 A 24 ASN HD2x A 28 ILE HG1y 1.0 . 5.34 118 98 A 24 ASN HD2x A 28 ILE HG1x 1.0 . 5.34 119 99 A 15 ARG H A 15 ARG HBy 1.0 . 3.98 120 100 A 15 ARG H A 15 ARG HBx 1.0 . 3.98 121 101 A 16 LYS HA A 15 ARG HGx 1.0 . 6.11 122 101 A 15 ARG HGy A 16 LYS HA 1.0 . 6.11 123 102 A 5 SER HBy A 5 SER H 1.0 . 3.93 124 103 A 5 SER HBy A 6 LYS H 1.0 . 4.24 125 104 A 5 SER H A 5 SER HBx 1.0 . 3.93 126 105 A 6 LYS H A 5 SER HBx 1.0 . 4.24 127 106 A 13 ARG H A 12 VAL HA 1.0 . 3.15 128 107 A 8 TYR HA A 8 TYR HD% 1.0 . 6.32 129 108 A 8 TYR H A 7 GLU HA 1.0 . 3.10 130 109 A 27 GLN HA A 26 ALA H 1.0 . 4.87 131 110 A 12 VAL H A 10 THR HA 1.0 . 5.39 132 111 A 6 LYS HA A 7 GLU H 1.0 . 3.46 133 112 A 25 LYS H A 26 ALA HA 1.0 . 4.61 134 113 A 24 ASN H A 27 GLN HA 1.0 . 5.39 135 114 A 2 PHE HA A 3 PRO HDy 1.0 . 3.72 136 115 A 2 PHE HA A 3 PRO HDx 1.0 . 3.72 137 116 A 8 TYR HBx A 9 GLU H 1.0 . 5.34 138 117 A 9 GLU H A 8 TYR HBy 1.0 . 5.34 139 118 A 17 CYS H A 11 CYS HBy 1.0 . 5.23 140 119 A 17 CYS H A 11 CYS HBx 1.0 . 5.23 141 120 A 12 VAL H A 11 CYS HBx 1.0 . 5.80 142 121 A 12 VAL H A 11 CYS HBy 1.0 . 5.80 143 122 A 23 CYS H A 23 CYS HBy 1.0 . 4.04 144 123 A 23 CYS HBx A 23 CYS H 1.0 . 4.04 145 124 A 31 ASP H A 31 ASP HBx 1.0 . 3.93 146 125 A 31 ASP H A 31 ASP HBy 1.0 . 3.93 147 126 A 34 LYS H A 31 ASP HBx 1.0 . 5.54 148 127 A 34 LYS H A 31 ASP HBy 1.0 . 5.54 149 128 A 5 SER H A 4 LEU HBx 1.0 . 4.61 150 129 A 5 SER H A 4 LEU HBy 1.0 . 4.61 151 130 A 28 ILE HB A 24 ASN HD2x 1.0 . 4.87 152 131 A 28 ILE HB A 24 ASN HD2y 1.0 . 4.87 153 132 A 28 ILE HB A 28 ILE H 1.0 . 4.19 154 133 A 28 ILE HB A 29 CYS H 1.0 . 3.98 155 134 A 22 LYS H A 21 LEU HBx 1.0 . 4.45 156 135 A 30 VAL H A 21 LEU HBx 1.0 . 4.87 157 136 A 30 VAL H A 21 LEU HBy 1.0 . 4.87 158 137 A 22 LYS H A 21 LEU HBy 1.0 . 4.45 159 138 A 18 GLN H A 17 CYS HBy 1.0 . 4.56 160 139 A 17 CYS H A 17 CYS HBy 1.0 . 4.09 161 140 A 18 GLN H A 17 CYS HBx 1.0 . 4.56 162 141 A 17 CYS H A 17 CYS HBx 1.0 . 4.09 163 142 A 25 LYS H A 24 ASN HBy 1.0 . 5.65 164 143 A 25 LYS H A 24 ASN HBx 1.0 . 5.65 165 144 A 31 ASP H A 30 VAL HB 1.0 . 3.72 166 145 A 18 GLN H A 18 GLN HGx 1.0 . 5.34 167 146 A 18 GLN H A 18 GLN HGy 1.0 . 5.34 168 147 A 7 GLU H A 6 LYS HBx 1.0 . 3.88 169 148 A 7 GLU H A 6 LYS HBy 1.0 . 3.88 170 149 A 27 GLN H A 28 ILE HG1y 1.0 . 5.65 171 150 A 24 ASN HD2y A 28 ILE HG1y 1.0 . 5.34 172 151 A 24 ASN HD2y A 28 ILE HG1x 1.0 . 5.34 173 152 A 27 GLN H A 28 ILE HG1x 1.0 . 5.65 174 153 A 21 LEU HG A 7 GLU H 1.0 . 3.72 175 154 A 10 THR H A 10 THR HG2% 1.0 . 5.00 176 155 A 12 VAL H A 10 THR HG2% 1.0 . 6.04 177 156 A 18 GLN H A 18 GLN HBy 1.0 . 4.09 178 157 A 18 GLN H A 18 GLN HBx 1.0 . 4.09 179 158 A 8 TYR H A 7 GLU HGx 1.0 . 4.50 180 159 A 8 TYR H A 7 GLU HGy 1.0 . 4.50 181 160 A 7 GLU H A 7 GLU HGy 1.0 . 4.87 182 161 A 7 GLU H A 7 GLU HGx 1.0 . 4.87 183 162 A 18 GLN H A 4 LEU HG 1.0 . 4.87 184 163 A 22 LYS H A 21 LEU HG 1.0 . 5.08 185 164 A 29 CYS H A 28 ILE HD1% 1.0 . 6.51 186 165 A 28 ILE H A 28 ILE HD1% 1.0 . 6.41 187 166 A 28 ILE HD1% A 8 TYR HD% 1.0 . 8.28 188 167 A 8 TYR HA A 28 ILE HD1% 1.0 . 5.42 189 168 A 28 ILE HD1% A 10 THR HA 1.0 . 5.94 190 169 A 21 LEU H A 21 LEU HDx% 1.0 . 6.25 191 170 A 30 VAL H A 30 VAL HGx% 1.0 . 5.84 192 171 A 15 ARG H A 15 ARG HGx 1.0 . 5.02 193 171 A 15 ARG H A 15 ARG HGy 1.0 . 5.02 194 172 A 33 LYS H A 32 PRO HDy 1.0 . 4.76 195 173 A 33 LYS H A 32 PRO HDx 1.0 . 4.76 196 174 A 6 LYS H A 5 SER HA 1.0 . 3.15 197 175 A 5 SER HA A 6 LYS HEx 1.0 . 7.15 198 175 A 6 LYS HEy A 5 SER HA 1.0 . 7.15 199 176 A 12 VAL H A 15 ARG HBx 1.0 . 5.70 200 177 A 12 VAL H A 15 ARG HBy 1.0 . 5.70 201 178 A 12 VAL HA A 15 ARG HBy 1.0 . 5.80 202 179 A 12 VAL HA A 15 ARG HBx 1.0 . 5.80 203 180 A 4 LEU H A 3 PRO HBx 1.0 . 4.61 204 181 A 4 LEU H A 3 PRO HBy 1.0 . 4.61 205 182 A 28 ILE H A 27 GLN HBy 1.0 . 5.80 206 183 A 28 ILE H A 27 GLN HBx 1.0 . 5.80 207 184 A 6 LYS H A 6 LYS HGy 1.0 . 4.40 208 185 A 6 LYS H A 6 LYS HGx 1.0 . 4.40 209 186 A 7 GLU H A 6 LYS HGy 1.0 . 5.08 210 187 A 7 GLU H A 6 LYS HGx 1.0 . 5.08 211 188 A 22 LYS H A 22 LYS HGy 1.0 . 5.18 212 189 A 22 LYS H A 22 LYS HGx 1.0 . 5.18 213 190 A 22 LYS H A 21 LEU HA 1.0 . 3.31 214 191 A 30 VAL H A 21 LEU HA 1.0 . 5.18 215 192 A 28 ILE HG2% A 28 ILE H 1.0 . 6.30 216 193 A 30 VAL H A 30 VAL HGy% 1.0 . 5.84 217 194 A 2 PHE HD% A 15 ARG HGx 1.0 . 10.35 218 194 A 2 PHE HE% A 15 ARG HGx 1.0 . 10.35 219 194 A 15 ARG HGy A 2 PHE HE% 1.0 . 10.35 220 194 A 15 ARG HGy A 2 PHE HD% 1.0 . 10.35 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 disulfide_bond _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 11 CYS SG A 23 CYS SG 1.0 . 2.1 2 2 A 11 CYS SG A 23 CYS CB 1.0 . 3.1 3 3 A 23 CYS SG A 11 CYS CB 1.0 . 3.1 4 4 A 17 CYS SG A 29 CYS SG 1.0 . 2.1 5 5 A 17 CYS SG A 29 CYS CB 1.0 . 3.1 6 6 A 29 CYS SG A 17 CYS CB 1.0 . 3.1 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 disulfide_bond _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 11 CYS SG A 23 CYS SG 1.0 . 2.0 2 2 A 11 CYS SG A 23 CYS CB 1.0 . 3.0 3 3 A 23 CYS SG A 11 CYS CB 1.0 . 3.0 4 4 A 17 CYS SG A 29 CYS SG 1.0 . 2.0 5 5 A 17 CYS SG A 29 CYS CB 1.0 . 3.0 6 6 A 29 CYS SG A 17 CYS CB 1.0 . 3.0 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 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 2 PHE HA A 3 PRO HDy 1.0 . 3.27 2 1 A 2 PHE HA A 3 PRO HDx 1.0 . 3.27 3 2 A 2 PHE HBy A 3 PRO HDy 1.0 . 3.94 4 2 A 2 PHE HBx A 3 PRO HDy 1.0 . 3.94 5 2 A 3 PRO HDx A 2 PHE HBx 1.0 . 3.94 6 2 A 3 PRO HDx A 2 PHE HBy 1.0 . 3.94 7 3 A 2 PHE HE% A 3 PRO HDy 1.0 . 7.91 8 3 A 2 PHE HD% A 3 PRO HDy 1.0 . 7.91 9 3 A 3 PRO HDx A 2 PHE HE% 1.0 . 7.91 10 3 A 2 PHE HD% A 3 PRO HDx 1.0 . 7.91 11 4 A 4 LEU H A 4 LEU HBx 1.0 . 3.55 12 4 A 4 LEU H A 4 LEU HBy 1.0 . 3.55 13 5 A 4 LEU H A 4 LEU HDx% 1.0 . 7.84 14 5 A 4 LEU H A 4 LEU HDy% 1.0 . 7.84 15 6 A 5 SER H A 4 LEU HBx 1.0 . 3.92 16 6 A 5 SER H A 4 LEU HBy 1.0 . 3.92 17 7 A 15 ARG H A 4 LEU HBx 1.0 . 6.74 18 7 A 15 ARG H A 4 LEU HBy 1.0 . 6.74 19 8 A 18 GLN H A 4 LEU HBx 1.0 . 5.48 20 8 A 18 GLN H A 4 LEU HBy 1.0 . 5.48 21 9 A 4 LEU HG A 19 PRO HGx 1.0 . 5.05 22 9 A 4 LEU HG A 19 PRO HGy 1.0 . 5.05 23 10 A 5 SER H A 4 LEU HDx% 1.0 . 6.21 24 10 A 5 SER H A 4 LEU HDy% 1.0 . 6.21 25 11 A 6 LYS HA A 4 LEU HDx% 1.0 . 5.66 26 11 A 6 LYS HA A 4 LEU HDy% 1.0 . 5.66 27 12 A 16 LYS H A 4 LEU HDx% 1.0 . 7.84 28 12 A 16 LYS H A 4 LEU HDy% 1.0 . 7.84 29 13 A 4 LEU HDx% A 16 LYS HBx 1.0 . 5.62 30 13 A 4 LEU HDy% A 16 LYS HBx 1.0 . 5.62 31 13 A 16 LYS HBy A 4 LEU HDx% 1.0 . 5.62 32 13 A 4 LEU HDy% A 16 LYS HBy 1.0 . 5.62 33 14 A 17 CYS H A 4 LEU HDx% 1.0 . 7.84 34 14 A 17 CYS H A 4 LEU HDy% 1.0 . 7.84 35 15 A 5 SER H A 5 SER HBx 1.0 . 3.45 36 15 A 5 SER HBy A 5 SER H 1.0 . 3.45 37 16 A 5 SER HA A 6 LYS HBy 1.0 . 4.41 38 16 A 5 SER HA A 6 LYS HBx 1.0 . 4.41 39 17 A 6 LYS H A 5 SER HBx 1.0 . 3.73 40 17 A 5 SER HBy A 6 LYS H 1.0 . 3.73 41 18 A 6 LYS H A 6 LYS HBy 1.0 . 3.67 42 18 A 6 LYS H A 6 LYS HBx 1.0 . 3.67 43 19 A 6 LYS H A 21 LEU HDy% 1.0 . 7.84 44 19 A 6 LYS H A 21 LEU HDx% 1.0 . 7.84 45 20 A 6 LYS HA A 6 LYS HGy 1.0 . 3.74 46 20 A 6 LYS HA A 6 LYS HGx 1.0 . 3.74 47 21 A 7 GLU H A 6 LYS HBy 1.0 . 3.24 48 21 A 7 GLU H A 6 LYS HBx 1.0 . 3.24 49 22 A 6 LYS HBy A 30 VAL HGy% 1.0 . 6.73 50 22 A 6 LYS HBx A 30 VAL HGy% 1.0 . 6.73 51 22 A 30 VAL HGx% A 6 LYS HBy 1.0 . 6.73 52 22 A 6 LYS HBx A 30 VAL HGx% 1.0 . 6.73 53 23 A 7 GLU H A 6 LYS HGy 1.0 . 4.47 54 23 A 7 GLU H A 6 LYS HGx 1.0 . 4.47 55 24 A 7 GLU H A 7 GLU HGy 1.0 . 3.99 56 24 A 7 GLU H A 7 GLU HGx 1.0 . 3.99 57 25 A 7 GLU H A 21 LEU HDy% 1.0 . 7.84 58 25 A 7 GLU H A 21 LEU HDx% 1.0 . 7.84 59 26 A 7 GLU H A 30 VAL HGy% 1.0 . 7.15 60 26 A 7 GLU H A 30 VAL HGx% 1.0 . 7.15 61 27 A 7 GLU HA A 7 GLU HGy 1.0 . 3.03 62 27 A 7 GLU HA A 7 GLU HGx 1.0 . 3.03 63 28 A 7 GLU HA A 21 LEU HDy% 1.0 . 6.41 64 28 A 7 GLU HA A 21 LEU HDx% 1.0 . 6.41 65 29 A 7 GLU HA A 29 CYS HBx 1.0 . 4.16 66 29 A 7 GLU HA A 29 CYS HBy 1.0 . 4.16 67 30 A 8 TYR HA A 7 GLU HGy 1.0 . 5.48 68 30 A 8 TYR HA A 7 GLU HGx 1.0 . 5.48 69 31 A 8 TYR HD% A 7 GLU HGy 1.0 . 7.45 70 31 A 8 TYR HD% A 7 GLU HGx 1.0 . 7.45 71 32 A 8 TYR H A 21 LEU HDy% 1.0 . 7.84 72 32 A 8 TYR H A 21 LEU HDx% 1.0 . 7.84 73 33 A 8 TYR H A 29 CYS HBx 1.0 . 5.43 74 33 A 8 TYR H A 29 CYS HBy 1.0 . 5.43 75 34 A 8 TYR HA A 28 ILE HG1y 1.0 . 5.48 76 34 A 8 TYR HA A 28 ILE HG1x 1.0 . 5.48 77 35 A 28 ILE HG2% A 8 TYR HBy 1.0 . 5.87 78 35 A 8 TYR HBx A 28 ILE HG2% 1.0 . 5.87 79 36 A 8 TYR HD% A 28 ILE HG1y 1.0 . 7.35 80 36 A 8 TYR HD% A 28 ILE HG1x 1.0 . 7.35 81 37 A 10 THR HG2% A 9 GLU HBx 1.0 . 6.95 82 37 A 10 THR HG2% A 9 GLU HBy 1.0 . 6.95 83 38 A 11 CYS H A 12 VAL HGx% 1.0 . 6.51 84 38 A 12 VAL HGy% A 11 CYS H 1.0 . 6.51 85 39 A 11 CYS H A 27 GLN HBx 1.0 . 5.72 86 39 A 11 CYS H A 27 GLN HBy 1.0 . 5.72 87 40 A 17 CYS H A 11 CYS HBy 1.0 . 4.61 88 40 A 17 CYS H A 11 CYS HBx 1.0 . 4.61 89 41 A 12 VAL H A 15 ARG HBy 1.0 . 5.03 90 41 A 12 VAL H A 15 ARG HBx 1.0 . 5.03 91 42 A 12 VAL H A 27 GLN HBx 1.0 . 4.85 92 42 A 12 VAL H A 27 GLN HBy 1.0 . 4.85 93 43 A 12 VAL HA A 15 ARG HBy 1.0 . 5.05 94 43 A 12 VAL HA A 15 ARG HBx 1.0 . 5.05 95 44 A 12 VAL HA A 27 GLN HBx 1.0 . 4.75 96 44 A 12 VAL HA A 27 GLN HBy 1.0 . 4.75 97 45 A 12 VAL HA A 27 GLN HGy 1.0 . 4.56 98 45 A 12 VAL HA A 27 GLN HGx 1.0 . 4.56 99 46 A 27 GLN HE2x A 12 VAL HA 1.0 . 5.53 100 46 A 27 GLN HE2y A 12 VAL HA 1.0 . 5.53 101 47 A 12 VAL HGx% A 27 GLN HBx 1.0 . 5.02 102 47 A 12 VAL HGy% A 27 GLN HBx 1.0 . 5.02 103 47 A 27 GLN HBy A 12 VAL HGx% 1.0 . 5.02 104 47 A 12 VAL HGy% A 27 GLN HBy 1.0 . 5.02 105 48 A 12 VAL HGx% A 27 GLN HGy 1.0 . 5.39 106 48 A 12 VAL HGy% A 27 GLN HGy 1.0 . 5.39 107 48 A 27 GLN HGx A 12 VAL HGx% 1.0 . 5.39 108 48 A 12 VAL HGy% A 27 GLN HGx 1.0 . 5.39 109 49 A 12 VAL HGx% A 27 GLN HBx 1.0 . 5.02 110 49 A 12 VAL HGy% A 27 GLN HBx 1.0 . 5.02 111 49 A 27 GLN HBy A 12 VAL HGx% 1.0 . 5.02 112 49 A 12 VAL HGy% A 27 GLN HBy 1.0 . 5.02 113 50 A 15 ARG H A 14 PRO HGx 1.0 . 5.02 114 50 A 15 ARG H A 14 PRO HGy 1.0 . 5.02 115 51 A 16 LYS H A 16 LYS HGx 1.0 . 5.68 116 51 A 16 LYS H A 16 LYS HGy 1.0 . 5.68 117 52 A 17 CYS H A 16 LYS HBx 1.0 . 4.21 118 52 A 17 CYS H A 16 LYS HBy 1.0 . 4.21 119 53 A 17 CYS H A 16 LYS HGx 1.0 . 6.35 120 53 A 17 CYS H A 16 LYS HGy 1.0 . 6.35 121 54 A 17 CYS H A 17 CYS HBy 1.0 . 3.42 122 54 A 17 CYS H A 17 CYS HBx 1.0 . 3.42 123 55 A 18 GLN H A 17 CYS HBy 1.0 . 3.93 124 55 A 18 GLN H A 17 CYS HBx 1.0 . 3.93 125 56 A 21 LEU H A 17 CYS HBy 1.0 . 6.04 126 56 A 21 LEU H A 17 CYS HBx 1.0 . 6.04 127 57 A 21 LEU HA A 17 CYS HBy 1.0 . 5.04 128 57 A 21 LEU HA A 17 CYS HBx 1.0 . 5.04 129 58 A 17 CYS HBx A 21 LEU HBx 1.0 . 3.01 130 58 A 17 CYS HBy A 21 LEU HBx 1.0 . 3.01 131 58 A 21 LEU HBy A 17 CYS HBy 1.0 . 3.01 132 58 A 17 CYS HBx A 21 LEU HBy 1.0 . 3.01 133 59 A 21 LEU HG A 17 CYS HBy 1.0 . 4.16 134 59 A 21 LEU HG A 17 CYS HBx 1.0 . 4.16 135 60 A 18 GLN H A 18 GLN HGy 1.0 . 4.65 136 60 A 18 GLN H A 18 GLN HGx 1.0 . 4.65 137 61 A 18 GLN H A 19 PRO HDx 1.0 . 5.09 138 61 A 18 GLN H A 19 PRO HDy 1.0 . 5.09 139 62 A 18 GLN HBy A 19 PRO HDx 1.0 . 4.66 140 62 A 19 PRO HDy A 18 GLN HBx 1.0 . 4.66 141 62 A 19 PRO HDy A 18 GLN HBy 1.0 . 4.66 142 62 A 18 GLN HBx A 19 PRO HDx 1.0 . 4.66 143 63 A 18 GLN HGy A 19 PRO HDx 1.0 . 4.68 144 63 A 18 GLN HGx A 19 PRO HDx 1.0 . 4.68 145 63 A 19 PRO HDy A 18 GLN HGy 1.0 . 4.68 146 63 A 18 GLN HGx A 19 PRO HDy 1.0 . 4.68 147 64 A 20 PRO HDx A 21 LEU HDy% 1.0 . 6.18 148 64 A 20 PRO HDy A 21 LEU HDy% 1.0 . 6.18 149 64 A 21 LEU HDx% A 20 PRO HDx 1.0 . 6.18 150 64 A 21 LEU HDx% A 20 PRO HDy 1.0 . 6.18 151 65 A 21 LEU H A 21 LEU HBx 1.0 . 3.63 152 65 A 21 LEU H A 21 LEU HBy 1.0 . 3.63 153 66 A 21 LEU H A 21 LEU HDy% 1.0 . 5.47 154 66 A 21 LEU H A 21 LEU HDx% 1.0 . 5.47 155 67 A 22 LYS H A 21 LEU HBx 1.0 . 3.75 156 67 A 22 LYS H A 21 LEU HBy 1.0 . 3.75 157 68 A 30 VAL H A 21 LEU HBx 1.0 . 4.29 158 68 A 30 VAL H A 21 LEU HBy 1.0 . 4.29 159 69 A 22 LYS H A 21 LEU HDy% 1.0 . 7.84 160 69 A 22 LYS H A 21 LEU HDx% 1.0 . 7.84 161 70 A 21 LEU HDy% A 29 CYS HBx 1.0 . 6.50 162 70 A 21 LEU HDx% A 29 CYS HBx 1.0 . 6.50 163 70 A 29 CYS HBy A 21 LEU HDy% 1.0 . 6.50 164 70 A 21 LEU HDx% A 29 CYS HBy 1.0 . 6.50 165 71 A 30 VAL H A 21 LEU HDy% 1.0 . 7.84 166 71 A 30 VAL H A 21 LEU HDx% 1.0 . 7.84 167 72 A 31 ASP H A 21 LEU HDy% 1.0 . 7.84 168 72 A 31 ASP H A 21 LEU HDx% 1.0 . 7.84 169 73 A 31 ASP HA A 21 LEU HDy% 1.0 . 5.11 170 73 A 31 ASP HA A 21 LEU HDx% 1.0 . 5.11 171 74 A 21 LEU HDx% A 31 ASP HBy 1.0 . 5.27 172 74 A 21 LEU HDy% A 31 ASP HBy 1.0 . 5.27 173 74 A 31 ASP HBx A 21 LEU HDy% 1.0 . 5.27 174 74 A 21 LEU HDx% A 31 ASP HBx 1.0 . 5.27 175 75 A 21 LEU HDy% A 32 PRO HDy 1.0 . 5.71 176 75 A 32 PRO HDx A 21 LEU HDy% 1.0 . 5.71 177 75 A 21 LEU HDx% A 32 PRO HDx 1.0 . 5.71 178 75 A 21 LEU HDx% A 32 PRO HDy 1.0 . 5.71 179 76 A 23 CYS H A 23 CYS HBy 1.0 . 3.55 180 76 A 23 CYS HBx A 23 CYS H 1.0 . 3.55 181 77 A 24 ASN HA A 23 CYS HBy 1.0 . 4.01 182 77 A 23 CYS HBx A 24 ASN HA 1.0 . 4.01 183 78 A 24 ASN HD2y A 24 ASN HBy 1.0 . 3.22 184 78 A 24 ASN HD2x A 24 ASN HBx 1.0 . 3.22 185 78 A 24 ASN HD2x A 24 ASN HBy 1.0 . 3.22 186 78 A 24 ASN HD2y A 24 ASN HBx 1.0 . 3.22 187 79 A 26 ALA H A 24 ASN HBy 1.0 . 6.16 188 79 A 26 ALA H A 24 ASN HBx 1.0 . 6.16 189 80 A 28 ILE HG2% A 24 ASN HBy 1.0 . 5.16 190 80 A 28 ILE HG2% A 24 ASN HBx 1.0 . 5.16 191 81 A 26 ALA HB% A 24 ASN HD2x 1.0 . 5.55 192 81 A 26 ALA HB% A 24 ASN HD2y 1.0 . 5.55 193 82 A 28 ILE HB A 24 ASN HD2y 1.0 . 4.15 194 82 A 28 ILE HB A 24 ASN HD2x 1.0 . 4.15 195 83 A 28 ILE HG2% A 24 ASN HD2x 1.0 . 7.10 196 83 A 28 ILE HG2% A 24 ASN HD2y 1.0 . 7.10 197 84 A 24 ASN HD2x A 28 ILE HG1x 1.0 . 4.00 198 84 A 24 ASN HD2x A 28 ILE HG1y 1.0 . 4.00 199 84 A 24 ASN HD2y A 28 ILE HG1x 1.0 . 4.00 200 84 A 24 ASN HD2y A 28 ILE HG1y 1.0 . 4.00 201 85 A 26 ALA HA A 27 GLN HBx 1.0 . 5.77 202 85 A 26 ALA HA A 27 GLN HBy 1.0 . 5.77 203 86 A 26 ALA HA A 27 GLN HGy 1.0 . 5.12 204 86 A 26 ALA HA A 27 GLN HGx 1.0 . 5.12 205 87 A 27 GLN H A 28 ILE HG1y 1.0 . 4.98 206 87 A 27 GLN H A 28 ILE HG1x 1.0 . 4.98 207 88 A 28 ILE H A 28 ILE HG1y 1.0 . 5.01 208 88 A 28 ILE H A 28 ILE HG1x 1.0 . 5.01 209 89 A 29 CYS H A 28 ILE HG1y 1.0 . 6.74 210 89 A 29 CYS H A 28 ILE HG1x 1.0 . 6.74 211 90 A 29 CYS H A 29 CYS HBx 1.0 . 3.67 212 90 A 29 CYS H A 29 CYS HBy 1.0 . 3.67 213 91 A 30 VAL H A 29 CYS HBx 1.0 . 4.11 214 91 A 30 VAL H A 29 CYS HBy 1.0 . 4.11 215 92 A 31 ASP H A 30 VAL HGy% 1.0 . 6.06 216 92 A 31 ASP H A 30 VAL HGx% 1.0 . 6.06 217 93 A 30 VAL HGy% A 36 TRP HBx 1.0 . 5.89 218 93 A 30 VAL HGx% A 36 TRP HBx 1.0 . 5.89 219 93 A 36 TRP HBy A 30 VAL HGy% 1.0 . 5.89 220 93 A 30 VAL HGx% A 36 TRP HBy 1.0 . 5.89 221 94 A 31 ASP HA A 32 PRO HDy 1.0 . 3.18 222 94 A 31 ASP HA A 32 PRO HDx 1.0 . 3.18 223 95 A 31 ASP HBx A 32 PRO HDy 1.0 . 4.42 224 95 A 31 ASP HBy A 32 PRO HDy 1.0 . 4.42 225 95 A 32 PRO HDx A 31 ASP HBy 1.0 . 4.42 226 95 A 31 ASP HBx A 32 PRO HDx 1.0 . 4.42 227 96 A 34 LYS H A 31 ASP HBy 1.0 . 4.79 228 96 A 34 LYS H A 31 ASP HBx 1.0 . 4.79 229 97 A 33 LYS H A 32 PRO HDy 1.0 . 4.06 230 97 A 33 LYS H A 32 PRO HDx 1.0 . 4.06 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 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 22 LYS H A 30 VAL O 1.0 . 3.5 2 2 A 30 VAL O A 22 LYS N 1.0 . 2.5 3 3 A 30 VAL H A 22 LYS O 1.0 . 3.5 4 4 A 22 LYS O A 30 VAL N 1.0 . 2.5 stop_ save_