data_nef_c19142_2m6j 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 4 CYS SG 1 22 CYS SG 1 11 CYS SG 1 17 CYS SG 1 25 ILE C 1 26 NH2 N 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 ILE start . . 2 A 2 LYS middle . . 3 A 3 SER middle . . 4 A 4 CYS middle -HG . 5 A 5 GLU middle . . 6 A 6 THR middle . . 7 A 7 PHE middle . . 8 A 8 ILE middle . . 9 A 9 VAL middle . . 10 A 10 ALA middle . . 11 A 11 CYS middle -HG . 12 A 12 ASP middle . . 13 A 13 GLY middle . false 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 ALA middle . . 17 A 17 CYS middle -HG . 18 A 18 ARG middle . . 19 A 19 GLU middle . . 20 A 20 VAL middle . . 21 A 21 LYS middle . . 22 A 22 CYS middle -HG . 23 A 23 LYS middle . . 24 A 24 THR middle . . 25 A 25 ILE middle . . 26 A 26 NH2 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 ILE HA H 1 3.885 0.02 A 1 ILE HB H 1 1.968 0.02 A 1 ILE HD1% H 1 0.927 0.02 A 1 ILE HG1y H 1 1.501 0.02 A 1 ILE HG1x H 1 1.222 0.02 A 1 ILE HG2% H 1 0.991 0.02 A 1 ILE CA C 13 60.564 0.3 A 1 ILE CB C 13 39.308 0.3 A 1 ILE CD1 C 13 13.211 0.3 A 1 ILE CG1 C 13 26.728 0.3 A 1 ILE CG2 C 13 16.939 0.3 A 2 LYS H H 1 8.713 0.02 A 2 LYS HA H 1 4.739 0.02 A 2 LYS HB2 H 1 1.739 0.02 A 2 LYS HB3 H 1 1.739 0.02 A 2 LYS HD2 H 1 1.612 0.02 A 2 LYS HD3 H 1 1.612 0.02 A 2 LYS HE2 H 1 2.935 0.02 A 2 LYS HE3 H 1 2.935 0.02 A 2 LYS HGy H 1 1.411 0.02 A 2 LYS HGx H 1 1.353 0.02 A 2 LYS CB C 13 34.071 0.3 A 2 LYS CD C 13 29.460 0.3 A 2 LYS CG C 13 24.854 0.3 A 3 SER H H 1 8.714 0.02 A 3 SER HA H 1 4.634 0.02 A 3 SER HB2 H 1 3.791 0.02 A 3 SER HB3 H 1 3.791 0.02 A 3 SER CB C 13 64.237 0.3 A 3 SER N N 15 119.185 0.2 A 4 CYS H H 1 8.709 0.02 A 4 CYS HA H 1 5.304 0.02 A 4 CYS HBy H 1 3.007 0.02 A 4 CYS HBx H 1 2.785 0.02 A 4 CYS CB C 13 42.045 0.3 A 4 CYS N N 15 123.655 0.2 A 5 GLU H H 1 8.754 0.02 A 5 GLU HA H 1 4.530 0.02 A 5 GLU HB2 H 1 1.916 0.02 A 5 GLU HB3 H 1 1.916 0.02 A 5 GLU HGy H 1 2.233 0.02 A 5 GLU HGx H 1 2.149 0.02 A 5 GLU CB C 13 32.354 0.3 A 5 GLU CG C 13 34.808 0.3 A 5 GLU N N 15 122.846 0.2 A 6 THR H H 1 8.314 0.02 A 6 THR HA H 1 4.837 0.02 A 6 THR HB H 1 3.914 0.02 A 6 THR HG2% H 1 1.060 0.02 A 6 THR CB C 13 69.935 0.3 A 6 THR CG2 C 13 21.794 0.3 A 6 THR N N 15 117.072 0.2 A 7 PHE H H 1 9.018 0.02 A 7 PHE HA H 1 4.798 0.02 A 7 PHE HBy H 1 3.075 0.02 A 7 PHE HBx H 1 2.844 0.02 A 7 PHE HD1 H 1 7.164 0.02 A 7 PHE HD2 H 1 7.164 0.02 A 7 PHE HE1 H 1 7.246 0.02 A 7 PHE HE2 H 1 7.246 0.02 A 7 PHE HZ H 1 7.216 0.02 A 7 PHE CB C 13 41.581 0.3 A 7 PHE CD1 C 13 132.039 0.3 A 7 PHE CD2 C 13 132.039 0.3 A 7 PHE CE1 C 13 131.297 0.3 A 7 PHE CE2 C 13 131.297 0.3 A 7 PHE CZ C 13 129.735 0.3 A 8 ILE H H 1 8.542 0.02 A 8 ILE HA H 1 4.694 0.02 A 8 ILE HB H 1 1.811 0.02 A 8 ILE HD1% H 1 0.770 0.02 A 8 ILE HG1y H 1 1.481 0.02 A 8 ILE HG1x H 1 1.152 0.02 A 8 ILE HG2% H 1 0.815 0.02 A 8 ILE CB C 13 37.983 0.3 A 8 ILE CD1 C 13 12.112 0.3 A 8 ILE CG1 C 13 27.511 0.3 A 8 ILE CG2 C 13 17.959 0.3 A 8 ILE N N 15 121.914 0.2 A 9 VAL H H 1 8.714 0.02 A 9 VAL HA H 1 4.555 0.02 A 9 VAL HB H 1 2.100 0.02 A 9 VAL HGx% H 1 0.877 0.02 A 9 VAL HGy% H 1 0.809 0.02 A 9 VAL CB C 13 35.122 0.3 A 9 VAL CG1 C 13 21.418 0.3 A 9 VAL CG2 C 13 19.765 0.3 A 9 VAL N N 15 125.551 0.2 A 10 ALA H H 1 8.405 0.02 A 10 ALA HA H 1 4.646 0.02 A 10 ALA HB% H 1 1.353 0.02 A 10 ALA CB C 13 18.917 0.3 A 10 ALA N N 15 126.210 0.2 A 11 CYS H H 1 8.599 0.02 A 11 CYS HA H 1 4.930 0.02 A 11 CYS HB2 H 1 3.188 0.02 A 11 CYS HB3 H 1 3.188 0.02 A 11 CYS CB C 13 42.835 0.3 A 11 CYS N N 15 120.017 0.2 A 12 ASP H H 1 8.649 0.02 A 12 ASP HA H 1 4.450 0.02 A 12 ASP HBy H 1 2.808 0.02 A 12 ASP HBx H 1 2.663 0.02 A 12 ASP CA C 13 54.846 0.3 A 12 ASP CB C 13 39.776 0.3 A 12 ASP N N 15 119.719 0.2 A 13 GLY H H 1 8.546 0.02 A 13 GLY HAy H 1 4.026 0.02 A 13 GLY HAx H 1 3.793 0.02 A 13 GLY CA C 13 46.260 0.3 A 13 GLY N N 15 107.940 0.2 A 14 GLY H H 1 8.171 0.02 A 14 GLY HAy H 1 4.119 0.02 A 14 GLY HAx H 1 3.802 0.02 A 14 GLY CA C 13 45.480 0.3 A 14 GLY N N 15 108.342 0.2 A 15 LYS H H 1 7.709 0.02 A 15 LYS HA H 1 4.378 0.02 A 15 LYS HBy H 1 1.871 0.02 A 15 LYS HBx H 1 1.836 0.02 A 15 LYS HD2 H 1 1.696 0.02 A 15 LYS HD3 H 1 1.696 0.02 A 15 LYS HE2 H 1 3.015 0.02 A 15 LYS HE3 H 1 3.015 0.02 A 15 LYS HGy H 1 1.477 0.02 A 15 LYS HGx H 1 1.395 0.02 A 15 LYS HZ1 H 1 7.520 0.02 A 15 LYS HZ2 H 1 7.520 0.02 A 15 LYS HZ3 H 1 7.520 0.02 A 15 LYS CA C 13 55.874 0.3 A 15 LYS CB C 13 33.597 0.3 A 15 LYS CD C 13 29.086 0.3 A 15 LYS CE C 13 42.358 0.3 A 15 LYS CG C 13 25.159 0.3 A 15 LYS N N 15 120.019 0.2 A 16 ALA H H 1 8.288 0.02 A 16 ALA HA H 1 4.646 0.02 A 16 ALA HB% H 1 1.271 0.02 A 16 ALA CB C 13 19.305 0.3 A 16 ALA N N 15 123.520 0.2 A 17 CYS H H 1 8.916 0.02 A 17 CYS HA H 1 4.870 0.02 A 17 CYS HBy H 1 3.075 0.02 A 17 CYS HBx H 1 2.980 0.02 A 17 CYS CB C 13 40.951 0.3 A 18 ARG H H 1 8.546 0.02 A 18 ARG HA H 1 4.811 0.02 A 18 ARG HB2 H 1 1.659 0.02 A 18 ARG HB3 H 1 1.659 0.02 A 18 ARG HD2 H 1 3.122 0.02 A 18 ARG HD3 H 1 3.122 0.02 A 18 ARG HE H 1 7.216 0.02 A 18 ARG HGy H 1 1.543 0.02 A 18 ARG HGx H 1 1.424 0.02 A 18 ARG CB C 13 31.645 0.3 A 18 ARG CD C 13 43.387 0.3 A 18 ARG CG C 13 27.739 0.3 A 18 ARG N N 15 122.376 0.2 A 19 GLU H H 1 8.997 0.02 A 19 GLU HA H 1 4.611 0.02 A 19 GLU HBy H 1 1.904 0.02 A 19 GLU HBx H 1 1.716 0.02 A 19 GLU HGy H 1 2.243 0.02 A 19 GLU HGx H 1 2.186 0.02 A 19 GLU CB C 13 31.571 0.3 A 19 GLU CG C 13 33.912 0.3 A 20 VAL H H 1 8.581 0.02 A 20 VAL HA H 1 4.682 0.02 A 20 VAL HB H 1 1.937 0.02 A 20 VAL HGx% H 1 0.897 0.02 A 20 VAL HGy% H 1 0.859 0.02 A 20 VAL CB C 13 33.366 0.3 A 20 VAL CG1 C 13 20.949 0.3 A 20 VAL CG2 C 13 21.717 0.3 A 20 VAL N N 15 123.513 0.2 A 21 LYS H H 1 8.902 0.02 A 21 LYS HA H 1 4.722 0.02 A 21 LYS HBy H 1 1.859 0.02 A 21 LYS HBx H 1 1.811 0.02 A 21 LYS HDy H 1 1.575 0.02 A 21 LYS HDx H 1 1.513 0.02 A 21 LYS HE2 H 1 2.784 0.02 A 21 LYS HE3 H 1 2.784 0.02 A 21 LYS HG2 H 1 1.369 0.02 A 21 LYS HG3 H 1 1.369 0.02 A 21 LYS CB C 13 34.934 0.3 A 21 LYS CD C 13 29.078 0.3 A 21 LYS CG C 13 24.796 0.3 A 22 CYS H H 1 8.986 0.02 A 22 CYS HA H 1 5.391 0.02 A 22 CYS HBy H 1 3.035 0.02 A 22 CYS HBx H 1 2.839 0.02 A 22 CYS CB C 13 39.670 0.3 A 23 LYS H H 1 8.844 0.02 A 23 LYS HA H 1 4.575 0.02 A 23 LYS HBy H 1 1.841 0.02 A 23 LYS HBx H 1 1.786 0.02 A 23 LYS HD2 H 1 1.658 0.02 A 23 LYS HD3 H 1 1.658 0.02 A 23 LYS HE2 H 1 2.944 0.02 A 23 LYS HE3 H 1 2.944 0.02 A 23 LYS HGy H 1 1.447 0.02 A 23 LYS HGx H 1 1.376 0.02 A 23 LYS CB C 13 34.782 0.3 A 23 LYS CD C 13 29.377 0.3 A 23 LYS CE C 13 42.120 0.3 A 23 LYS CG C 13 24.386 0.3 A 23 LYS N N 15 122.935 0.2 A 24 THR H H 1 8.518 0.02 A 24 THR HA H 1 4.494 0.02 A 24 THR HB H 1 4.091 0.02 A 24 THR HG2% H 1 1.168 0.02 A 24 THR CA C 13 62.443 0.3 A 24 THR CB C 13 69.712 0.3 A 24 THR CG2 C 13 21.802 0.3 A 24 THR N N 15 117.783 0.2 A 25 ILE H H 1 8.342 0.02 A 25 ILE HA H 1 4.236 0.02 A 25 ILE HB H 1 1.828 0.02 A 25 ILE HD1% H 1 0.838 0.02 A 25 ILE HG1y H 1 1.447 0.02 A 25 ILE HG1x H 1 1.134 0.02 A 25 ILE HG2% H 1 0.920 0.02 A 25 ILE CA C 13 60.566 0.3 A 25 ILE CB C 13 38.911 0.3 A 25 ILE CD1 C 13 12.968 0.3 A 25 ILE CG1 C 13 27.145 0.3 A 25 ILE CG2 C 13 17.502 0.3 A 25 ILE N N 15 125.151 0.2 A 26 NH2 HN1 H 1 7.163 0.02 A 26 NH2 HN2 H 1 7.753 0.02 A 26 NH2 N N 15 111.962 0.2 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 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 5 GLU HGx A 7 PHE H 1.0 . 5.50 2 2 A 19 GLU H A 19 GLU HGy 1.0 . 5.50 3 3 A 19 GLU H A 19 GLU HGx 1.0 . 5.50 4 4 A 19 GLU H A 19 GLU HBy 1.0 . 3.74 5 5 A 19 GLU H A 19 GLU HBx 1.0 . 3.54 6 6 A 21 LYS H A 21 LYS HDy 1.0 . 5.50 7 7 A 23 LYS H A 23 LYS HD2 1.0 . 5.50 8 8 A 23 LYS H A 23 LYS HD3 1.0 . 5.50 9 9 A 21 LYS H A 21 LYS HG2 1.0 . 4.69 10 10 A 21 LYS H A 21 LYS HG3 1.0 . 4.69 11 11 A 23 LYS H A 2 LYS HE2 1.0 . 5.50 12 12 A 23 LYS H A 2 LYS HE3 1.0 . 5.50 13 13 A 7 PHE H A 7 PHE HBy 1.0 . 3.88 14 14 A 15 LYS H A 15 LYS HBx 1.0 . 3.75 15 15 A 15 LYS H A 15 LYS HBy 1.0 . 2.99 16 16 A 15 LYS H A 15 LYS HD2 1.0 . 5.50 17 17 A 15 LYS H A 15 LYS HD3 1.0 . 5.50 18 18 A 18 ARG HGx A 18 ARG HE 1.0 . 4.19 19 19 A 18 ARG HE A 18 ARG HGy 1.0 . 4.01 20 20 A 18 ARG HE A 18 ARG HA 1.0 . 4.81 21 21 A 6 THR H A 6 THR HG2% 1.0 . 3.71 22 22 A 25 ILE H A 25 ILE HG1y 1.0 . 4.00 23 23 A 25 ILE H A 25 ILE HG1x 1.0 . 4.00 24 24 A 25 ILE H A 25 ILE HG2% 1.0 . 4.22 25 25 A 25 ILE H A 25 ILE HD1% 1.0 . 4.68 26 26 A 20 VAL H A 20 VAL HGy% 1.0 . 3.01 27 27 A 20 VAL H A 20 VAL HGx% 1.0 . 3.93 28 28 A 18 ARG HGy A 18 ARG H 1.0 . 3.51 29 29 A 18 ARG HGx A 18 ARG H 1.0 . 4.43 30 30 A 18 ARG H A 18 ARG HB2 1.0 . 2.71 31 31 A 8 ILE H A 8 ILE HB 1.0 . 2.80 32 32 A 8 ILE H A 8 ILE HG2% 1.0 . 3.97 33 33 A 8 ILE H A 8 ILE HD1% 1.0 . 3.94 34 34 A 18 ARG H A 18 ARG HD2 1.0 . 5.50 35 35 A 18 ARG H A 18 ARG HD3 1.0 . 5.50 36 36 A 24 THR H A 24 THR HB 1.0 . 3.18 37 37 A 5 GLU HGx A 5 GLU H 1.0 . 3.95 38 38 A 5 GLU H A 5 GLU HGy 1.0 . 3.94 39 39 A 8 ILE HG2% A 9 VAL H 1.0 . 3.34 40 40 A 9 VAL H A 9 VAL HGy% 1.0 . 3.46 41 41 A 3 SER H A 2 LYS HGx 1.0 . 3.65 42 42 A 3 SER H A 2 LYS HGy 1.0 . 3.65 43 43 A 9 VAL H A 9 VAL HGx% 1.0 . 3.58 44 44 A 9 VAL H A 9 VAL HB 1.0 . 3.95 45 45 A 18 ARG HA A 9 VAL H 1.0 . 4.67 46 46 A 12 ASP HA A 13 GLY H 1.0 . 3.26 47 47 A 12 ASP H A 12 ASP HBy 1.0 . 3.50 48 48 A 12 ASP H A 12 ASP HBx 1.0 . 3.50 49 49 A 12 ASP H A 11 CYS HB2 1.0 . 3.45 50 50 A 12 ASP H A 11 CYS HB3 1.0 . 3.77 51 51 A 12 ASP H A 11 CYS HA 1.0 . 3.56 52 52 A 16 ALA H A 16 ALA HB% 1.0 . 2.73 53 53 A 16 ALA H A 15 LYS HA 1.0 . 2.65 54 54 A 15 LYS HBx A 16 ALA H 1.0 . 2.82 55 55 A 15 LYS HBy A 16 ALA H 1.0 . 3.49 56 56 A 16 ALA H A 15 LYS HD2 1.0 . 5.50 57 57 A 16 ALA H A 15 LYS HD3 1.0 . 5.50 58 58 A 16 ALA H A 15 LYS HGy 1.0 . 4.95 59 59 A 16 ALA H A 15 LYS HGx 1.0 . 4.95 60 60 A 8 ILE HG2% A 16 ALA H 1.0 . 5.50 61 61 A 18 ARG H A 17 CYS HA 1.0 . 2.57 62 62 A 18 ARG H A 17 CYS HBx 1.0 . 3.42 63 63 A 10 ALA H A 10 ALA HB% 1.0 . 2.58 64 64 A 10 ALA HA A 11 CYS H 1.0 . 2.52 65 65 A 10 ALA HB% A 11 CYS H 1.0 . 3.65 66 66 A 10 ALA H A 9 VAL HA 1.0 . 2.58 67 67 A 9 VAL HB A 10 ALA H 1.0 . 2.89 68 68 A 9 VAL HGx% A 10 ALA H 1.0 . 3.65 69 69 A 25 ILE H A 24 THR HG2% 1.0 . 3.56 70 70 A 25 ILE H A 24 THR HA 1.0 . 2.60 71 71 A 24 THR H A 23 LYS HBy 1.0 . 4.34 72 72 A 24 THR H A 23 LYS HBx 1.0 . 4.34 73 73 A 24 THR H A 23 LYS HGy 1.0 . 5.25 74 74 A 24 THR H A 23 LYS HGx 1.0 . 5.25 75 75 A 22 CYS H A 22 CYS HBx 1.0 . 3.86 76 76 A 15 LYS H A 16 ALA H 1.0 . 4.61 77 77 A 13 GLY H A 14 GLY H 1.0 . 3.18 78 78 A 7 PHE H A 6 THR HA 1.0 . 3.34 79 79 A 7 PHE H A 6 THR HG2% 1.0 . 3.63 80 80 A 6 THR H A 5 GLU HA 1.0 . 2.56 81 81 A 5 GLU HGx A 6 THR H 1.0 . 4.48 82 82 A 6 THR H A 5 GLU HGy 1.0 . 5.50 83 83 A 6 THR H A 5 GLU HB2 1.0 . 3.30 84 84 A 5 GLU H A 4 CYS HBx 1.0 . 3.33 85 85 A 5 GLU H A 4 CYS HBy 1.0 . 4.05 86 86 A 5 GLU H A 4 CYS HA 1.0 . 2.64 87 87 A 23 LYS H A 22 CYS HBx 1.0 . 3.36 88 88 A 23 LYS H A 22 CYS HA 1.0 . 2.72 89 89 A 22 CYS H A 21 LYS HA 1.0 . 2.87 90 90 A 22 CYS H A 21 LYS HBx 1.0 . 4.31 91 91 A 22 CYS H A 21 LYS HBy 1.0 . 4.31 92 92 A 21 LYS H A 20 VAL HGx% 1.0 . 3.43 93 93 A 20 VAL H A 19 GLU HA 1.0 . 2.40 94 94 A 20 VAL H A 19 GLU HGy 1.0 . 4.81 95 95 A 19 GLU HBy A 20 VAL H 1.0 . 5.50 96 96 A 19 GLU HBx A 20 VAL H 1.0 . 3.83 97 97 A 25 ILE H A 24 THR HB 1.0 . 4.29 98 98 A 8 ILE H A 8 ILE HG1x 1.0 . 3.85 99 99 A 8 ILE H A 8 ILE HG1y 1.0 . 3.85 100 100 A 8 ILE HB A 9 VAL H 1.0 . 4.16 101 101 A 1 ILE HG2% A 2 LYS H 1.0 . 3.85 102 102 A 2 LYS H A 1 ILE HD1% 1.0 . 4.70 103 103 A 2 LYS H A 1 ILE HB 1.0 . 4.03 104 104 A 2 LYS H A 1 ILE HA 1.0 . 2.75 105 105 A 21 LYS H A 21 LYS HDx 1.0 . 5.50 106 106 A 8 ILE H A 7 PHE HD2 1.0 . 4.36 107 107 A 16 ALA H A 17 CYS H 1.0 . 4.64 108 108 A 6 THR H A 5 GLU H 1.0 . 4.45 109 109 A 23 LYS H A 24 THR H 1.0 . 4.60 110 110 A 15 LYS H A 14 GLY H 1.0 . 3.15 111 111 A 10 ALA H A 11 CYS H 1.0 . 4.20 112 112 A 11 CYS H A 14 GLY H 1.0 . 5.13 113 113 A 7 PHE H A 7 PHE HD1 1.0 . 3.81 114 114 A 7 PHE H A 7 PHE HD2 1.0 . 4.28 115 115 A 19 GLU H A 18 ARG HB3 1.0 . 4.29 116 116 A 19 GLU H A 9 VAL HGx% 1.0 . 4.97 117 117 A 20 VAL HGx% A 22 CYS H 1.0 . 5.36 118 118 A 5 GLU H A 21 LYS HBx 1.0 . 5.41 119 119 A 5 GLU H A 21 LYS HBy 1.0 . 5.41 120 120 A 20 VAL HGx% A 5 GLU H 1.0 . 3.70 121 121 A 8 ILE HD1% A 9 VAL H 1.0 . 4.75 122 122 A 23 LYS H A 25 ILE HD1% 1.0 . 5.50 123 123 A 8 ILE H A 9 VAL HGx% 1.0 . 3.98 124 124 A 9 VAL HGy% A 11 CYS H 1.0 . 4.24 125 125 A 13 GLY H A 10 ALA HB% 1.0 . 4.87 126 126 A 18 ARG H A 16 ALA HB% 1.0 . 5.50 127 127 A 19 GLU HBy A 18 ARG H 1.0 . 5.15 128 128 A 2 LYS HE2 A 3 SER H 1.0 . 5.50 129 129 A 2 LYS HE3 A 3 SER H 1.0 . 5.50 130 130 A 17 CYS HBx A 11 CYS H 1.0 . 4.77 131 131 A 11 CYS H A 17 CYS HBy 1.0 . 5.25 132 132 A 15 LYS HBy A 12 ASP H 1.0 . 5.08 133 133 A 9 VAL HGy% A 12 ASP H 1.0 . 5.50 134 134 A 12 ASP HA A 14 GLY H 1.0 . 4.47 135 135 A 15 LYS HBy A 14 GLY H 1.0 . 5.03 136 136 A 10 ALA HB% A 14 GLY H 1.0 . 4.42 137 137 A 7 PHE HBy A 8 ILE H 1.0 . 3.28 138 138 A 13 GLY H A 12 ASP HBx 1.0 . 4.38 139 139 A 3 SER H A 2 LYS HD2 1.0 . 5.50 140 140 A 3 SER H A 2 LYS HD3 1.0 . 5.50 141 141 A 3 SER H A 24 THR HA 1.0 . 4.22 142 142 A 5 GLU H A 20 VAL HA 1.0 . 4.60 143 143 A 25 ILE H A 2 LYS HA 1.0 . 4.81 144 144 A 15 LYS H A 13 GLY H 1.0 . 4.50 145 145 A 15 LYS H A 11 CYS H 1.0 . 4.22 146 146 A 23 LYS H A 3 SER H 1.0 . 3.82 147 147 A 21 LYS H A 5 GLU H 1.0 . 3.48 148 148 A 13 GLY H A 12 ASP H 1.0 . 4.75 149 149 A 19 GLU H A 20 VAL H 1.0 . 5.05 150 150 A 19 GLU H A 18 ARG H 1.0 . 4.30 151 151 A 18 ARG H A 17 CYS H 1.0 . 5.20 152 152 A 11 CYS H A 17 CYS H 1.0 . 4.29 153 153 A 21 LYS H A 7 PHE HD1 1.0 . 5.02 154 154 A 9 VAL HA A 7 PHE HD2 1.0 . 4.86 155 155 A 7 PHE HD2 A 8 ILE HA 1.0 . 4.83 156 156 A 7 PHE HD1 A 20 VAL HA 1.0 . 5.35 157 157 A 6 THR HA A 7 PHE HD1 1.0 . 4.36 158 158 A 7 PHE HD1 A 7 PHE HBx 1.0 . 2.99 159 159 A 7 PHE HBy A 7 PHE HD2 1.0 . 2.93 160 160 A 7 PHE HD1 A 21 LYS HE2 1.0 . 5.46 161 161 A 7 PHE HD1 A 21 LYS HE3 1.0 . 5.46 162 162 A 5 GLU HGx A 7 PHE HD1 1.0 . 4.37 163 163 A 9 VAL HB A 7 PHE HD2 1.0 . 4.87 164 164 A 19 GLU HBy A 7 PHE HD2 1.0 . 3.61 165 165 A 19 GLU HBx A 7 PHE HD2 1.0 . 4.48 166 166 A 7 PHE HD1 A 21 LYS HDy 1.0 . 5.07 167 167 A 7 PHE HD1 A 21 LYS HDx 1.0 . 5.07 168 168 A 6 THR HG2% A 7 PHE HD1 1.0 . 5.50 169 169 A 9 VAL HGx% A 7 PHE HD2 1.0 . 3.51 170 170 A 9 VAL HGy% A 7 PHE HD2 1.0 . 4.04 171 171 A 7 PHE HBx A 7 PHE HE1 1.0 . 4.84 172 172 A 7 PHE HBy A 7 PHE HE2 1.0 . 4.89 173 173 A 19 GLU HBy A 7 PHE HE2 1.0 . 3.04 174 174 A 7 PHE HE1 A 21 LYS HBy 1.0 . 3.73 175 175 A 7 PHE HE1 A 21 LYS HBx 1.0 . 3.73 176 176 A 9 VAL HB A 7 PHE HE2 1.0 . 5.10 177 177 A 19 GLU HBx A 7 PHE HE2 1.0 . 4.45 178 178 A 7 PHE HE1 A 21 LYS HE2 1.0 . 5.34 179 179 A 7 PHE HE1 A 21 LYS HE3 1.0 . 5.34 180 180 A 9 VAL HGx% A 7 PHE HE2 1.0 . 3.49 181 181 A 9 VAL HGy% A 7 PHE HE2 1.0 . 3.90 182 182 A 1 ILE HG2% A 1 ILE HA 1.0 . 3.45 183 183 A 1 ILE HD1% A 1 ILE HA 1.0 . 4.18 184 184 A 20 VAL HGx% A 4 CYS HA 1.0 . 4.82 185 185 A 5 GLU HGx A 5 GLU HA 1.0 . 4.09 186 186 A 5 GLU HGy A 5 GLU HA 1.0 . 3.91 187 187 A 6 THR HG2% A 6 THR HA 1.0 . 3.34 188 188 A 20 VAL HGy% A 6 THR HA 1.0 . 4.42 189 189 A 5 GLU HA A 6 THR HB 1.0 . 4.52 190 190 A 18 ARG HGx A 6 THR HG2% 1.0 . 4.28 191 191 A 6 THR HG2% A 5 GLU HB2 1.0 . 4.36 192 192 A 6 THR HG2% A 5 GLU HA 1.0 . 4.73 193 193 A 6 THR HG2% A 20 VAL HA 1.0 . 4.72 194 194 A 18 ARG HGy A 6 THR HG2% 1.0 . 4.71 195 195 A 6 THR HG2% A 18 ARG HB3 1.0 . 3.38 196 196 A 6 THR HG2% A 18 ARG HD2 1.0 . 3.51 197 197 A 6 THR HG2% A 8 ILE H 1.0 . 5.23 198 198 A 8 ILE HB A 8 ILE HD1% 1.0 . 3.36 199 199 A 8 ILE HG2% A 16 ALA HB% 1.0 . 3.03 200 200 A 8 ILE HD1% A 16 ALA HB% 1.0 . 4.17 201 201 A 18 ARG HB2 A 8 ILE HD1% 1.0 . 5.27 202 202 A 8 ILE HD1% A 18 ARG HB3 1.0 . 5.50 203 203 A 18 ARG HGy A 8 ILE HD1% 1.0 . 4.20 204 204 A 18 ARG HGx A 8 ILE HD1% 1.0 . 4.28 205 205 A 8 ILE HG2% A 8 ILE HA 1.0 . 3.13 206 206 A 8 ILE HD1% A 8 ILE HA 1.0 . 3.76 207 207 A 8 ILE HG2% A 16 ALA HA 1.0 . 3.48 208 208 A 8 ILE HD1% A 7 PHE HA 1.0 . 5.32 209 209 A 18 ARG HA A 8 ILE HD1% 1.0 . 5.50 210 210 A 9 VAL HGy% A 19 GLU HA 1.0 . 4.93 211 211 A 5 GLU HGx A 20 VAL HGx% 1.0 . 5.50 212 212 A 9 VAL HGy% A 17 CYS HBx 1.0 . 3.18 213 213 A 9 VAL HGy% A 17 CYS HBy 1.0 . 3.56 214 214 A 7 PHE HBy A 9 VAL HGy% 1.0 . 4.91 215 215 A 7 PHE HBy A 9 VAL HGx% 1.0 . 3.40 216 216 A 9 VAL HB A 17 CYS HBx 1.0 . 4.81 217 217 A 9 VAL HB A 10 ALA HB% 1.0 . 4.29 218 218 A 19 GLU HBx A 9 VAL HGx% 1.0 . 4.67 219 219 A 19 GLU HBx A 9 VAL HGy% 1.0 . 4.24 220 220 A 19 GLU HBy A 9 VAL HGy% 1.0 . 4.14 221 221 A 9 VAL HGx% A 9 VAL HA 1.0 . 3.04 222 222 A 9 VAL HGy% A 9 VAL HA 1.0 . 3.38 223 223 A 11 CYS HB2 A 10 ALA HA 1.0 . 4.35 224 224 A 22 CYS HBx A 2 LYS HGx 1.0 . 4.51 225 225 A 11 CYS HB2 A 10 ALA HB% 1.0 . 5.36 226 226 A 11 CYS HB2 A 17 CYS HA 1.0 . 4.18 227 227 A 12 ASP HA A 11 CYS HB3 1.0 . 4.57 228 228 A 11 CYS HA A 10 ALA HB% 1.0 . 4.91 229 229 A 20 VAL HGx% A 4 CYS HBx 1.0 . 3.01 230 230 A 20 VAL HGy% A 4 CYS HBx 1.0 . 5.26 231 231 A 20 VAL HGx% A 4 CYS HBy 1.0 . 4.00 232 232 A 9 VAL HGx% A 17 CYS HBy 1.0 . 5.50 233 233 A 9 VAL HGy% A 11 CYS HB2 1.0 . 4.08 234 234 A 11 CYS HB2 A 17 CYS HBx 1.0 . 3.63 235 235 A 11 CYS HB2 A 17 CYS HBy 1.0 . 3.54 236 236 A 16 ALA HB% A 15 LYS HA 1.0 . 4.08 237 237 A 16 ALA HB% A 17 CYS HA 1.0 . 5.06 238 238 A 18 ARG HB2 A 17 CYS HA 1.0 . 4.65 239 239 A 8 ILE HG2% A 17 CYS HA 1.0 . 5.50 240 240 A 9 VAL HGy% A 17 CYS HA 1.0 . 5.50 241 241 A 19 GLU HA A 19 GLU HGy 1.0 . 3.94 242 242 A 19 GLU HA A 19 GLU HGx 1.0 . 3.94 243 243 A 20 VAL HGy% A 19 GLU HA 1.0 . 3.93 244 244 A 25 ILE HD1% A 3 SER HA 1.0 . 3.93 245 245 A 20 VAL HGy% A 20 VAL HA 1.0 . 3.35 246 246 A 20 VAL HGx% A 20 VAL HA 1.0 . 3.14 247 247 A 22 CYS HBx A 2 LYS HGy 1.0 . 4.51 248 248 A 22 CYS HBx A 2 LYS HD2 1.0 . 5.02 249 249 A 22 CYS HBx A 2 LYS HD3 1.0 . 5.02 250 250 A 24 THR HG2% A 24 THR HA 1.0 . 3.21 251 251 A 25 ILE HD1% A 1 ILE HA 1.0 . 5.50 252 252 A 25 ILE HD1% A 25 ILE HB 1.0 . 3.59 253 253 A 1 ILE HG2% A 25 ILE HB 1.0 . 4.58 254 254 A 25 ILE HG2% A 25 ILE HA 1.0 . 3.51 255 255 A 25 ILE HD1% A 25 ILE HA 1.0 . 4.37 256 256 A 24 THR HG2% A 25 ILE HA 1.0 . 5.44 257 257 A 3 SER H A 22 CYS HBx 1.0 . 5.05 258 258 A 15 LYS HA A 15 LYS HD2 1.0 . 5.37 259 259 A 15 LYS HA A 15 LYS HD3 1.0 . 5.37 260 260 A 15 LYS HA A 15 LYS HGy 1.0 . 3.92 261 261 A 15 LYS HA A 15 LYS HGx 1.0 . 3.92 262 262 A 18 ARG HD2 A 18 ARG HB3 1.0 . 2.95 263 263 A 10 ALA HB% A 9 VAL HA 1.0 . 4.23 264 264 A 25 ILE HG2% A 3 SER HB2 1.0 . 5.21 265 265 A 25 ILE HG2% A 3 SER HB3 1.0 . 5.21 266 266 A 1 ILE HD1% A 2 LYS HA 1.0 . 5.28 267 267 A 25 ILE HG2% A 24 THR HA 1.0 . 5.50 268 268 A 20 VAL HGy% A 18 ARG HD2 1.0 . 4.89 269 269 A 8 ILE HG2% A 18 ARG HD3 1.0 . 4.86 270 270 A 8 ILE HD1% A 18 ARG HD3 1.0 . 4.55 271 271 A 4 CYS HBx A 5 GLU HB3 1.0 . 5.50 272 272 A 4 CYS HBx A 20 VAL HB 1.0 . 5.50 273 273 A 19 GLU HBy A 7 PHE HBy 1.0 . 5.50 274 274 A 6 THR HG2% A 8 ILE HD1% 1.0 . 4.05 275 275 A 20 VAL HGy% A 6 THR HB 1.0 . 4.57 276 276 A 20 VAL HGx% A 6 THR HB 1.0 . 4.42 277 277 A 5 GLU HB2 A 6 THR HB 1.0 . 5.50 278 278 A 6 THR HB A 20 VAL HB 1.0 . 5.50 279 279 A 17 CYS HBx A 8 ILE HA 1.0 . 4.49 280 280 A 17 CYS HBx A 10 ALA HA 1.0 . 5.50 281 281 A 17 CYS HBx A 16 ALA HA 1.0 . 5.50 282 282 A 5 GLU HA A 4 CYS HBy 1.0 . 4.82 283 283 A 4 CYS HBy A 3 SER HA 1.0 . 4.65 284 284 A 10 ALA HA A 17 CYS HBy 1.0 . 4.87 285 285 A 17 CYS HBy A 16 ALA HA 1.0 . 5.26 286 286 A 21 LYS HA A 22 CYS HBy 1.0 . 4.66 287 287 A 18 ARG HE A 6 THR HG2% 1.0 . 4.40 288 288 A 18 ARG HE A 8 ILE HD1% 1.0 . 4.99 289 289 A 15 LYS H A 10 ALA HA 1.0 . 4.90 290 290 A 18 ARG HE A 18 ARG HB2 1.0 . 5.50 291 291 A 18 ARG HE A 18 ARG HB3 1.0 . 5.50 292 292 A 11 CYS HB2 A 11 CYS H 1.0 . 3.20 293 293 A 13 GLY H A 11 CYS HB2 1.0 . 5.45 294 294 A 13 GLY H A 11 CYS HB3 1.0 . 5.50 295 295 A 18 ARG H A 17 CYS HBy 1.0 . 4.15 296 296 A 13 GLY H A 12 ASP HBy 1.0 . 4.38 297 297 A 4 CYS HBy A 4 CYS H 1.0 . 3.03 298 298 A 9 VAL H A 17 CYS HBx 1.0 . 4.64 299 299 A 23 LYS H A 22 CYS HBy 1.0 . 4.32 300 300 A 17 CYS HBx A 17 CYS H 1.0 . 3.23 301 301 A 17 CYS H A 17 CYS HBy 1.0 . 3.58 302 302 A 22 CYS H A 22 CYS HBy 1.0 . 3.20 303 303 A 7 PHE H A 7 PHE HBx 1.0 . 3.98 304 304 A 19 GLU H A 17 CYS HBx 1.0 . 4.42 305 305 A 25 ILE H A 25 ILE HB 1.0 . 3.74 306 306 A 5 GLU H A 5 GLU HB3 1.0 . 3.32 307 307 A 21 LYS H A 21 LYS HBy 1.0 . 4.03 308 308 A 21 LYS H A 21 LYS HBx 1.0 . 4.03 309 309 A 21 LYS H A 20 VAL HB 1.0 . 3.99 310 310 A 19 GLU H A 18 ARG HB2 1.0 . 4.95 311 311 A 16 ALA HB% A 17 CYS H 1.0 . 3.76 312 312 A 9 VAL HGy% A 10 ALA H 1.0 . 3.68 313 313 A 8 ILE HG2% A 17 CYS H 1.0 . 4.11 314 314 A 21 LYS H A 20 VAL HGy% 1.0 . 4.56 315 315 A 4 CYS HBx A 4 CYS H 1.0 . 3.91 316 316 A 3 SER H A 3 SER HB2 1.0 . 3.46 317 317 A 3 SER H A 3 SER HB3 1.0 . 3.46 318 318 A 6 THR H A 6 THR HB 1.0 . 3.07 319 319 A 7 PHE H A 6 THR HB 1.0 . 4.07 320 320 A 21 LYS H A 7 PHE HE1 1.0 . 4.87 321 321 A 7 PHE H A 6 THR H 1.0 . 5.14 322 322 A 20 VAL H A 19 GLU HGx 1.0 . 4.81 323 323 A 19 GLU HBy A 17 CYS HBx 1.0 . 4.43 324 324 A 15 LYS HBy A 11 CYS HB2 1.0 . 4.38 325 325 A 15 LYS HBx A 11 CYS HB2 1.0 . 5.23 326 326 A 9 VAL HB A 17 CYS HBy 1.0 . 5.34 327 327 A 5 GLU HGx A 7 PHE HBx 1.0 . 4.60 328 328 A 24 THR H A 23 LYS HA 1.0 . 2.65 329 329 A 1 ILE HA A 2 LYS HB2 1.0 . 4.07 330 329 A 1 ILE HA A 2 LYS HB3 1.0 . 4.07 331 330 A 1 ILE HG2% A 3 SER HB2 1.0 . 4.72 332 330 A 1 ILE HG2% A 3 SER HB3 1.0 . 4.72 333 331 A 2 LYS H A 1 ILE HG1y 1.0 . 4.00 334 331 A 2 LYS H A 1 ILE HG1x 1.0 . 4.00 335 332 A 2 LYS H A 2 LYS HB2 1.0 . 2.69 336 332 A 2 LYS H A 2 LYS HB3 1.0 . 2.69 337 333 A 2 LYS HA A 2 LYS HGx 1.0 . 3.25 338 333 A 2 LYS HA A 2 LYS HGy 1.0 . 3.25 339 334 A 22 CYS HBx A 2 LYS HB2 1.0 . 4.13 340 334 A 22 CYS HBx A 2 LYS HB3 1.0 . 4.13 341 335 A 3 SER H A 2 LYS HGx 1.0 . 3.18 342 335 A 3 SER H A 2 LYS HGy 1.0 . 3.18 343 336 A 22 CYS HBx A 2 LYS HGx 1.0 . 3.78 344 336 A 22 CYS HBx A 2 LYS HGy 1.0 . 3.78 345 337 A 23 LYS H A 2 LYS HGx 1.0 . 4.63 346 337 A 23 LYS H A 2 LYS HGy 1.0 . 4.63 347 338 A 24 THR HA A 2 LYS HGx 1.0 . 4.22 348 338 A 24 THR HA A 2 LYS HGy 1.0 . 4.22 349 339 A 25 ILE H A 2 LYS HGx 1.0 . 4.53 350 339 A 25 ILE H A 2 LYS HGy 1.0 . 4.53 351 340 A 22 CYS HBx A 2 LYS HD2 1.0 . 4.34 352 340 A 22 CYS HBx A 2 LYS HD3 1.0 . 4.34 353 341 A 3 SER H A 3 SER HB2 1.0 . 3.01 354 341 A 3 SER H A 3 SER HB3 1.0 . 3.01 355 342 A 3 SER H A 25 ILE HG1x 1.0 . 4.18 356 342 A 3 SER H A 25 ILE HG1y 1.0 . 4.18 357 343 A 23 LYS H A 3 SER HB2 1.0 . 4.21 358 343 A 23 LYS H A 3 SER HB3 1.0 . 4.21 359 344 A 3 SER HB3 A 23 LYS HBy 1.0 . 4.65 360 344 A 3 SER HB2 A 23 LYS HBy 1.0 . 4.65 361 344 A 23 LYS HBx A 3 SER HB2 1.0 . 4.65 362 344 A 3 SER HB3 A 23 LYS HBx 1.0 . 4.65 363 345 A 3 SER HB2 A 23 LYS HGx 1.0 . 4.49 364 345 A 3 SER HB3 A 23 LYS HGx 1.0 . 4.49 365 345 A 23 LYS HGy A 3 SER HB2 1.0 . 4.49 366 345 A 3 SER HB3 A 23 LYS HGy 1.0 . 4.49 367 346 A 25 ILE HB A 3 SER HB2 1.0 . 5.34 368 346 A 25 ILE HB A 3 SER HB3 1.0 . 5.34 369 347 A 25 ILE HG2% A 3 SER HB2 1.0 . 4.39 370 347 A 25 ILE HG2% A 3 SER HB3 1.0 . 4.39 371 348 A 3 SER HB3 A 25 ILE HG1x 1.0 . 3.87 372 348 A 25 ILE HG1y A 3 SER HB2 1.0 . 3.87 373 348 A 3 SER HB3 A 25 ILE HG1y 1.0 . 3.87 374 348 A 3 SER HB2 A 25 ILE HG1x 1.0 . 3.87 375 349 A 25 ILE HD1% A 3 SER HB2 1.0 . 3.61 376 349 A 25 ILE HD1% A 3 SER HB3 1.0 . 3.61 377 350 A 7 PHE HD1 A 21 LYS HBy 1.0 . 4.70 378 350 A 7 PHE HD1 A 21 LYS HBx 1.0 . 4.70 379 351 A 7 PHE HD1 A 21 LYS HG3 1.0 . 3.51 380 351 A 7 PHE HD1 A 21 LYS HG2 1.0 . 3.51 381 352 A 7 PHE HD1 A 21 LYS HDy 1.0 . 4.28 382 352 A 7 PHE HD1 A 21 LYS HDx 1.0 . 4.28 383 353 A 7 PHE HD1 A 21 LYS HE2 1.0 . 4.70 384 353 A 7 PHE HD1 A 21 LYS HE3 1.0 . 4.70 385 354 A 7 PHE HE1 A 21 LYS HBy 1.0 . 3.12 386 354 A 7 PHE HE1 A 21 LYS HBx 1.0 . 3.12 387 355 A 7 PHE HE1 A 21 LYS HG3 1.0 . 3.74 388 355 A 7 PHE HE1 A 21 LYS HG2 1.0 . 3.74 389 356 A 7 PHE HE1 A 21 LYS HDy 1.0 . 4.40 390 356 A 7 PHE HE1 A 21 LYS HDx 1.0 . 4.40 391 357 A 7 PHE HE1 A 21 LYS HE2 1.0 . 4.53 392 357 A 7 PHE HE1 A 21 LYS HE3 1.0 . 4.53 393 358 A 7 PHE HE2 A 19 GLU HGy 1.0 . 4.28 394 358 A 7 PHE HE2 A 19 GLU HGx 1.0 . 4.28 395 359 A 8 ILE H A 8 ILE HG1x 1.0 . 3.18 396 359 A 8 ILE H A 8 ILE HG1y 1.0 . 3.18 397 360 A 8 ILE HA A 8 ILE HG1x 1.0 . 3.71 398 360 A 8 ILE HA A 8 ILE HG1y 1.0 . 3.71 399 361 A 8 ILE HG2% A 8 ILE HG1x 1.0 . 3.25 400 361 A 8 ILE HG2% A 8 ILE HG1y 1.0 . 3.25 401 362 A 18 ARG HD3 A 8 ILE HG1x 1.0 . 4.88 402 362 A 18 ARG HD3 A 8 ILE HG1y 1.0 . 4.88 403 363 A 9 VAL HGx% A 19 GLU HGy 1.0 . 5.34 404 363 A 9 VAL HGx% A 19 GLU HGx 1.0 . 5.34 405 364 A 9 VAL HGy% A 19 GLU HGy 1.0 . 4.42 406 364 A 9 VAL HGy% A 19 GLU HGx 1.0 . 4.42 407 365 A 10 ALA HB% A 13 GLY HAy 1.0 . 3.59 408 365 A 10 ALA HB% A 13 GLY HAx 1.0 . 3.59 409 366 A 10 ALA HB% A 14 GLY HAy 1.0 . 4.72 410 366 A 10 ALA HB% A 14 GLY HAx 1.0 . 4.72 411 367 A 11 CYS HB2 A 12 ASP HBx 1.0 . 4.94 412 367 A 11 CYS HB2 A 12 ASP HBy 1.0 . 4.94 413 368 A 11 CYS HB3 A 12 ASP HBx 1.0 . 5.17 414 368 A 11 CYS HB3 A 12 ASP HBy 1.0 . 5.17 415 369 A 12 ASP H A 12 ASP HBx 1.0 . 2.97 416 369 A 12 ASP H A 12 ASP HBy 1.0 . 2.97 417 370 A 12 ASP H A 13 GLY HAy 1.0 . 4.69 418 370 A 12 ASP H A 13 GLY HAx 1.0 . 4.69 419 371 A 13 GLY H A 12 ASP HBx 1.0 . 3.82 420 371 A 13 GLY H A 12 ASP HBy 1.0 . 3.82 421 372 A 15 LYS HBy A 12 ASP HBx 1.0 . 4.38 422 372 A 15 LYS HBy A 12 ASP HBy 1.0 . 4.38 423 373 A 13 GLY H A 13 GLY HAy 1.0 . 2.51 424 373 A 13 GLY H A 13 GLY HAx 1.0 . 2.51 425 374 A 15 LYS H A 13 GLY HAy 1.0 . 4.81 426 374 A 15 LYS H A 13 GLY HAx 1.0 . 4.81 427 375 A 15 LYS HBy A 14 GLY HAy 1.0 . 5.34 428 375 A 15 LYS HBy A 14 GLY HAx 1.0 . 5.34 429 376 A 14 GLY HAx A 15 LYS HGx 1.0 . 5.18 430 376 A 14 GLY HAy A 15 LYS HGx 1.0 . 5.18 431 376 A 15 LYS HGy A 14 GLY HAy 1.0 . 5.18 432 376 A 14 GLY HAx A 15 LYS HGy 1.0 . 5.18 433 377 A 15 LYS H A 15 LYS HGx 1.0 . 3.35 434 377 A 15 LYS H A 15 LYS HGy 1.0 . 3.35 435 378 A 15 LYS H A 15 LYS HE2 1.0 . 5.34 436 378 A 15 LYS H A 15 LYS HE3 1.0 . 5.34 437 379 A 15 LYS HA A 15 LYS HD2 1.0 . 4.66 438 379 A 15 LYS HA A 15 LYS HD3 1.0 . 4.66 439 380 A 16 ALA H A 15 LYS HGx 1.0 . 4.25 440 380 A 16 ALA H A 15 LYS HGy 1.0 . 4.25 441 381 A 17 CYS HBx A 19 GLU HGy 1.0 . 5.34 442 381 A 17 CYS HBx A 19 GLU HGx 1.0 . 5.34 443 382 A 19 GLU HA A 19 GLU HGy 1.0 . 3.45 444 382 A 19 GLU HA A 19 GLU HGx 1.0 . 3.45 445 383 A 20 VAL H A 19 GLU HGy 1.0 . 4.18 446 383 A 20 VAL H A 19 GLU HGx 1.0 . 4.18 447 384 A 21 LYS H A 21 LYS HBy 1.0 . 3.36 448 384 A 21 LYS H A 21 LYS HBx 1.0 . 3.36 449 385 A 21 LYS H A 21 LYS HG3 1.0 . 3.88 450 385 A 21 LYS H A 21 LYS HG2 1.0 . 3.88 451 386 A 22 CYS H A 21 LYS HBy 1.0 . 3.60 452 386 A 22 CYS H A 21 LYS HBx 1.0 . 3.60 453 387 A 21 LYS HE2 A 21 LYS HG3 1.0 . 3.29 454 387 A 21 LYS HE3 A 21 LYS HG3 1.0 . 3.29 455 387 A 21 LYS HG2 A 21 LYS HE2 1.0 . 3.29 456 387 A 21 LYS HG2 A 21 LYS HE3 1.0 . 3.29 457 388 A 22 CYS H A 21 LYS HG3 1.0 . 4.26 458 388 A 22 CYS H A 21 LYS HG2 1.0 . 4.26 459 389 A 23 LYS H A 23 LYS HBy 1.0 . 3.06 460 389 A 23 LYS H A 23 LYS HBx 1.0 . 3.06 461 390 A 23 LYS H A 23 LYS HGx 1.0 . 3.88 462 390 A 23 LYS H A 23 LYS HGy 1.0 . 3.88 463 391 A 23 LYS HA A 23 LYS HGx 1.0 . 3.74 464 391 A 23 LYS HA A 23 LYS HGy 1.0 . 3.74 465 392 A 24 THR H A 23 LYS HBy 1.0 . 3.50 466 392 A 24 THR H A 23 LYS HBx 1.0 . 3.50 467 393 A 24 THR H A 23 LYS HGx 1.0 . 4.42 468 393 A 24 THR H A 23 LYS HGy 1.0 . 4.42 469 394 A 24 THR HB A 23 LYS HGx 1.0 . 5.34 470 394 A 24 THR HB A 23 LYS HGy 1.0 . 5.34 471 395 A 25 ILE H A 25 ILE HG1x 1.0 . 3.44 472 395 A 25 ILE H A 25 ILE HG1y 1.0 . 3.44 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 3 SER H A 23 LYS O 1.0 . 2.2 2 2 A 23 LYS O A 3 SER N 1.0 . 3.2 3 3 A 5 GLU H A 21 LYS O 1.0 . 2.2 4 4 A 21 LYS O A 5 GLU N 1.0 . 3.2 5 5 A 7 PHE H A 19 GLU O 1.0 . 2.2 6 6 A 19 GLU O A 7 PHE N 1.0 . 3.2 7 7 A 23 LYS H A 3 SER O 1.0 . 2.2 8 8 A 3 SER O A 23 LYS N 1.0 . 3.2 9 9 A 21 LYS H A 5 GLU O 1.0 . 2.2 10 10 A 5 GLU O A 21 LYS N 1.0 . 3.2 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 ILE C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -135.0 -39.0 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 SER N 1.0 110.0 162.0 PSI 3 3 A 2 LYS C A 3 SER N A 3 SER CA A 3 SER C 1.0 -166.2 -37.3 PHI 4 4 A 3 SER N A 3 SER CA A 3 SER C A 4 CYS N 1.0 90.3 202.3 PSI 5 5 A 4 CYS C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -191.0 -27.0 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 THR N 1.0 133.0 173.0 PSI 7 7 A 5 GLU C A 6 THR N A 6 THR CA A 6 THR C 1.0 -148.0 -68.0 PHI 8 8 A 6 THR N A 6 THR CA A 6 THR C A 7 PHE N 1.0 101.0 153.0 PSI 9 9 A 7 PHE C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -134.0 -74.0 PHI 10 10 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 VAL N 1.0 113.0 145.0 PSI 11 11 A 8 ILE C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -140.0 -92.0 PHI 12 12 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 ALA N 1.0 126.0 162.0 PSI 13 13 A 9 VAL C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -136.0 -40.0 PHI 14 14 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 CYS N 1.0 89.0 173.0 PSI 15 15 A 10 ALA C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -76.0 -48.0 PHI 16 16 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ASP N 1.0 -54.0 -6.0 PSI 17 17 A 11 CYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -115.0 -59.0 PHI 18 18 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 GLY N 1.0 -42.0 46.0 PSI 19 19 A 12 ASP C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 54.0 122.0 PHI 20 20 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 GLY N 1.0 -13.0 23.0 PSI 21 21 A 15 LYS C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -147.0 -27.0 PHI 22 22 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 CYS N 1.0 108.0 188.0 PSI 23 23 A 16 ALA C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -147.0 -39.0 PHI 24 24 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 ARG N 1.0 58.0 186.0 PSI 25 25 A 18 ARG C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -149.0 -33.0 PHI 26 26 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 VAL N 1.0 112.0 168.0 PSI 27 27 A 23 LYS C A 24 THR N A 24 THR CA A 24 THR C 1.0 -144.0 -40.0 PHI 28 28 A 24 THR N A 24 THR CA A 24 THR C A 25 ILE N 1.0 113.0 165.0 PSI stop_ save_