data_nef_c26062_2ndi 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 2NDI stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 15 CYS SG 1 9 CYS SG 1 29 CYS SG 1 14 CYS SG 1 39 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 GLY start . false 2 A 2 LEU middle . . 3 A 3 CYS middle -HG . 4 A 4 SER middle . . 5 A 5 GLU middle . . 6 A 6 ASN middle . . 7 A 7 GLY middle . false 8 A 8 ASP middle . . 9 A 9 CYS middle -HG . 10 A 10 ALA middle . . 11 A 11 ALA middle . . 12 A 12 ASP middle . . 13 A 13 GLU middle . . 14 A 14 CYS middle -HG . 15 A 15 CYS middle -HG . 16 A 16 VAL middle . . 17 A 17 ASP middle . . 18 A 18 THR middle . . 19 A 19 VAL middle . . 20 A 20 PHE middle . . 21 A 21 GLU middle . . 22 A 22 GLY middle . false 23 A 23 ASP middle . . 24 A 24 MET middle . . 25 A 25 VAL middle . . 26 A 26 THR middle . . 27 A 27 ARG middle . . 28 A 28 SER middle . . 29 A 29 CYS middle -HG . 30 A 30 GLU middle . . 31 A 31 LYS middle . . 32 A 32 THR middle . . 33 A 33 THR middle . . 34 A 34 GLY middle . false 35 A 35 ASN middle . . 36 A 36 PHE middle . . 37 A 37 THR middle . . 38 A 38 GLU middle . . 39 A 39 CYS middle -HG . 40 A 40 PRO middle . false 41 A 41 GLY middle . false 42 A 42 LEU middle . . 43 A 43 THR middle . . 44 A 44 PRO middle . false 45 A 45 ILE middle . . 46 A 46 ALA 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 GLY H1 H 1 7.714 . A 1 GLY HA2 H 1 3.785 . A 1 GLY HA3 H 1 3.785 . A 1 GLY CA C 13 45.182 . A 2 LEU H H 1 8.436 . A 2 LEU HA H 1 4.577 . A 2 LEU HB2 H 1 1.613 . A 2 LEU HB3 H 1 1.574 . A 2 LEU HD1% H 1 0.798 . A 2 LEU HD2% H 1 0.850 . A 2 LEU HG H 1 1.623 . A 2 LEU CA C 13 55.390 . A 2 LEU CB C 13 42.546 . A 2 LEU CD1 C 13 23.024 . A 2 LEU CD2 C 13 25.087 . A 2 LEU CG C 13 27.087 . A 3 CYS H H 1 7.923 . A 3 CYS HA H 1 4.791 . A 3 CYS HB2 H 1 3.099 . A 3 CYS HB3 H 1 3.227 . A 4 SER H H 1 8.911 . A 4 SER HA H 1 4.474 . A 4 SER HB2 H 1 3.777 . A 4 SER HB3 H 1 3.838 . A 4 SER CA C 13 58.958 . A 4 SER CB C 13 64.696 . A 5 GLU H H 1 8.046 . A 5 GLU HA H 1 4.495 . A 5 GLU HB2 H 1 1.883 . A 5 GLU HB3 H 1 2.223 . A 5 GLU HG2 H 1 2.205 . A 5 GLU HG3 H 1 2.311 . A 5 GLU CA C 13 54.435 . A 5 GLU CB C 13 30.458 . A 5 GLU CG C 13 32.191 . A 6 ASN H H 1 8.956 . A 6 ASN HA H 1 4.270 . A 6 ASN HB2 H 1 2.679 . A 6 ASN HB3 H 1 2.868 . A 6 ASN HD21 H 1 7.606 . A 6 ASN HD22 H 1 6.937 . A 6 ASN CA C 13 56.623 . A 6 ASN CB C 13 38.041 . A 7 GLY H H 1 8.465 . A 7 GLY HA2 H 1 3.914 . A 7 GLY HA3 H 1 3.842 . A 7 GLY CA C 13 46.005 . A 8 ASP H H 1 7.611 . A 8 ASP HA H 1 4.620 . A 8 ASP HB2 H 1 2.796 . A 8 ASP HB3 H 1 2.994 . A 8 ASP CB C 13 41.111 . A 9 CYS H H 1 7.872 . A 9 CYS HA H 1 4.904 . A 9 CYS HB2 H 1 2.657 . A 9 CYS HB3 H 1 3.414 . A 9 CYS CB C 13 39.884 . A 10 ALA H H 1 7.784 . A 10 ALA HA H 1 4.249 . A 10 ALA HB% H 1 1.275 . A 10 ALA CA C 13 51.715 . A 10 ALA CB C 13 19.509 . A 11 ALA H H 1 8.179 . A 11 ALA HA H 1 4.001 . A 11 ALA HB% H 1 1.287 . A 11 ALA CA C 13 54.117 . A 11 ALA CB C 13 18.276 . A 12 ASP H H 1 8.150 . A 12 ASP HA H 1 4.379 . A 12 ASP HB2 H 1 2.746 . A 12 ASP HB3 H 1 3.024 . A 12 ASP CA C 13 52.855 . A 12 ASP CB C 13 37.491 . A 13 GLU H H 1 7.644 . A 13 GLU HA H 1 4.906 . A 13 GLU HB2 H 1 1.613 . A 13 GLU HB3 H 1 2.110 . A 13 GLU HG2 H 1 1.844 . A 13 GLU HG3 H 1 2.245 . A 13 GLU CA C 13 54.279 . A 13 GLU CB C 13 33.587 . A 13 GLU CG C 13 34.211 . A 14 CYS H H 1 8.562 . A 14 CYS HA H 1 4.836 . A 14 CYS HB2 H 1 2.562 . A 14 CYS HB3 H 1 2.980 . A 14 CYS CA C 13 52.564 . A 14 CYS CB C 13 42.391 . A 15 CYS H H 1 9.017 . A 15 CYS HA H 1 4.790 . A 15 CYS HB2 H 1 2.698 . A 15 CYS HB3 H 1 2.698 . A 15 CYS CA C 13 55.772 . A 15 CYS CB C 13 39.212 . A 16 VAL H H 1 8.676 . A 16 VAL HA H 1 4.475 . A 16 VAL HB H 1 1.972 . A 16 VAL HG1% H 1 0.714 . A 16 VAL HG2% H 1 0.743 . A 16 VAL CA C 13 60.302 . A 16 VAL CB C 13 35.546 . A 16 VAL CG1 C 13 19.855 . A 16 VAL CG2 C 13 21.521 . A 17 ASP H H 1 8.606 . A 17 ASP HA H 1 4.957 . A 17 ASP HB2 H 1 2.496 . A 17 ASP HB3 H 1 2.674 . A 17 ASP CA C 13 53.339 . A 17 ASP CB C 13 38.756 . A 18 THR H H 1 8.762 . A 18 THR HA H 1 4.370 . A 18 THR HB H 1 3.898 . A 18 THR HG2% H 1 0.923 . A 18 THR CA C 13 61.552 . A 18 THR CB C 13 70.647 . A 18 THR CG2 C 13 21.456 . A 19 VAL H H 1 8.147 . A 19 VAL HA H 1 4.361 . A 19 VAL HB H 1 1.836 . A 19 VAL HG1% H 1 0.724 . A 19 VAL HG2% H 1 0.783 . A 19 VAL CA C 13 61.921 . A 19 VAL CB C 13 33.067 . A 19 VAL CG1 C 13 21.129 . A 19 VAL CG2 C 13 21.039 . A 20 PHE H H 1 8.802 . A 20 PHE HA H 1 4.732 . A 20 PHE HB2 H 1 2.921 . A 20 PHE HB3 H 1 2.964 . A 20 PHE HD1 H 1 7.159 . A 20 PHE HD2 H 1 7.159 . A 20 PHE HE1 H 1 7.207 . A 20 PHE HE2 H 1 7.207 . A 20 PHE CA C 13 56.978 . A 20 PHE CB C 13 40.819 . A 20 PHE CD1 C 13 131.499 . A 20 PHE CD2 C 13 131.499 . A 20 PHE CE1 C 13 131.487 . A 20 PHE CE2 C 13 131.487 . A 21 GLU H H 1 8.366 . A 21 GLU HA H 1 4.016 . A 21 GLU HB2 H 1 1.772 . A 21 GLU HB3 H 1 1.968 . A 21 GLU HG2 H 1 1.962 . A 21 GLU HG3 H 1 2.095 . A 21 GLU CA C 13 55.899 . A 21 GLU CB C 13 27.990 . A 21 GLU CG C 13 32.803 . A 22 GLY H H 1 8.456 . A 22 GLY HA2 H 1 3.971 . A 22 GLY HA3 H 1 3.529 . A 22 GLY CA C 13 46.383 . A 23 ASP H H 1 8.244 . A 23 ASP HA H 1 4.603 . A 23 ASP HB2 H 1 2.843 . A 23 ASP HB3 H 1 2.843 . A 23 ASP CA C 13 52.907 . A 23 ASP CB C 13 38.630 . A 24 MET H H 1 7.990 . A 24 MET HA H 1 4.571 . A 24 MET HB2 H 1 2.420 . A 24 MET HB3 H 1 2.481 . A 24 MET HE% H 1 1.973 . A 24 MET HG2 H 1 1.974 . A 24 MET HG3 H 1 1.974 . A 24 MET CA C 13 55.181 . A 24 MET CB C 13 31.917 . A 24 MET CE C 13 16.931 . A 24 MET CG C 13 33.412 . A 25 VAL H H 1 8.361 . A 25 VAL HA H 1 4.501 . A 25 VAL HB H 1 1.836 . A 25 VAL HG1% H 1 0.722 . A 25 VAL HG2% H 1 0.777 . A 25 VAL CA C 13 61.914 . A 25 VAL CB C 13 33.464 . A 25 VAL CG1 C 13 21.122 . A 25 VAL CG2 C 13 21.042 . A 26 THR H H 1 8.547 . A 26 THR HA H 1 4.490 . A 26 THR HB H 1 3.945 . A 26 THR HG2% H 1 0.990 . A 26 THR CA C 13 60.630 . A 26 THR CB C 13 70.718 . A 26 THR CG2 C 13 20.940 . A 27 ARG H H 1 8.225 . A 27 ARG HA H 1 5.107 . A 27 ARG HB2 H 1 1.714 . A 27 ARG HB3 H 1 1.714 . A 27 ARG HD2 H 1 2.967 . A 27 ARG HD3 H 1 3.016 . A 27 ARG HE H 1 6.923 . A 27 ARG HG2 H 1 1.457 . A 27 ARG HG3 H 1 1.457 . A 27 ARG CA C 13 55.546 . A 27 ARG CB C 13 32.316 . A 27 ARG CD C 13 43.926 . A 27 ARG CG C 13 27.597 . A 28 SER H H 1 8.680 . A 28 SER HA H 1 4.889 . A 28 SER HB2 H 1 3.642 . A 28 SER HB3 H 1 3.642 . A 28 SER CA C 13 57.534 . A 28 SER CB C 13 66.541 . A 29 CYS H H 1 8.181 . A 29 CYS HA H 1 5.114 . A 29 CYS HB2 H 1 2.678 . A 29 CYS HB3 H 1 2.897 . A 29 CYS CA C 13 54.668 . A 29 CYS CB C 13 39.889 . A 30 GLU H H 1 9.198 . A 30 GLU HA H 1 4.691 . A 30 GLU HB2 H 1 1.658 . A 30 GLU HB3 H 1 2.033 . A 30 GLU HG2 H 1 2.274 . A 30 GLU HG3 H 1 2.274 . A 30 GLU CA C 13 54.092 . A 30 GLU CB C 13 31.967 . A 30 GLU CG C 13 32.429 . A 31 LYS H H 1 8.735 . A 31 LYS HA H 1 4.409 . A 31 LYS HB2 H 1 1.714 . A 31 LYS HB3 H 1 1.811 . A 31 LYS HD2 H 1 1.621 . A 31 LYS HD3 H 1 1.621 . A 31 LYS HE2 H 1 2.931 . A 31 LYS HE3 H 1 2.931 . A 31 LYS HG2 H 1 1.432 . A 31 LYS HG3 H 1 1.476 . A 31 LYS HZ1 H 1 7.467 . A 31 LYS HZ2 H 1 7.467 . A 31 LYS HZ3 H 1 7.467 . A 31 LYS CA C 13 57.022 . A 31 LYS CB C 13 32.905 . A 31 LYS CD C 13 29.112 . A 31 LYS CE C 13 42.095 . A 31 LYS CG C 13 25.025 . A 32 THR H H 1 8.279 . A 32 THR HA H 1 4.358 . A 32 THR HB H 1 4.110 . A 32 THR HG2% H 1 1.004 . A 32 THR CA C 13 61.434 . A 32 THR CB C 13 69.840 . A 32 THR CG2 C 13 21.790 . A 33 THR H H 1 8.149 . A 33 THR HA H 1 4.338 . A 33 THR HB H 1 4.187 . A 33 THR HG2% H 1 1.116 . A 33 THR CA C 13 61.694 . A 33 THR CB C 13 69.959 . A 33 THR CG2 C 13 21.395 . A 34 GLY H H 1 8.243 . A 34 GLY HA2 H 1 3.896 . A 34 GLY HA3 H 1 3.778 . A 34 GLY CA C 13 45.205 . A 35 ASN H H 1 8.240 . A 35 ASN HA H 1 4.549 . A 35 ASN HB2 H 1 2.523 . A 35 ASN HB3 H 1 2.569 . A 35 ASN HD21 H 1 7.427 . A 35 ASN HD22 H 1 6.780 . A 35 ASN CA C 13 53.289 . A 35 ASN CB C 13 38.557 . A 36 PHE H H 1 8.068 . A 36 PHE HA H 1 4.581 . A 36 PHE HB2 H 1 2.981 . A 36 PHE HB3 H 1 3.122 . A 36 PHE HD1 H 1 7.146 . A 36 PHE HD2 H 1 7.146 . A 36 PHE HE1 H 1 7.225 . A 36 PHE HE2 H 1 7.225 . A 36 PHE CA C 13 57.806 . A 36 PHE CB C 13 39.259 . A 36 PHE CE1 C 13 131.488 . A 36 PHE CE2 C 13 131.488 . A 37 THR H H 1 8.046 . A 37 THR HA H 1 4.110 . A 37 THR HB H 1 4.096 . A 37 THR HG2% H 1 1.047 . A 37 THR CA C 13 62.448 . A 37 THR CB C 13 69.437 . A 37 THR CG2 C 13 21.711 . A 38 GLU H H 1 7.775 . A 38 GLU HA H 1 4.351 . A 38 GLU HB2 H 1 1.835 . A 38 GLU HB3 H 1 2.011 . A 38 GLU HG2 H 1 2.304 . A 38 GLU HG3 H 1 2.304 . A 38 GLU CA C 13 54.983 . A 38 GLU CB C 13 29.606 . A 38 GLU CG C 13 32.685 . A 39 CYS H H 1 8.545 . A 39 CYS HA H 1 4.799 . A 39 CYS HB2 H 1 2.655 . A 39 CYS HB3 H 1 3.131 . A 39 CYS CA C 13 53.291 . A 39 CYS CB C 13 38.357 . A 40 PRO HA H 1 4.351 . A 40 PRO HB2 H 1 1.872 . A 40 PRO HB3 H 1 2.200 . A 40 PRO HD2 H 1 3.526 . A 40 PRO HD3 H 1 3.681 . A 40 PRO HG2 H 1 1.882 . A 40 PRO HG3 H 1 1.962 . A 40 PRO CA C 13 63.300 . A 40 PRO CB C 13 32.052 . A 40 PRO CD C 13 50.485 . A 40 PRO CG C 13 27.378 . A 41 GLY H H 1 8.401 . A 41 GLY HA2 H 1 3.898 . A 41 GLY HA3 H 1 3.792 . A 41 GLY CA C 13 45.145 . A 42 LEU H H 1 8.090 . A 42 LEU HA H 1 4.353 . A 42 LEU HB2 H 1 1.469 . A 42 LEU HB3 H 1 1.530 . A 42 LEU HD1% H 1 0.736 . A 42 LEU HD2% H 1 0.779 . A 42 LEU HG H 1 1.507 . A 42 LEU CA C 13 54.989 . A 42 LEU CB C 13 42.701 . A 42 LEU CD1 C 13 23.568 . A 42 LEU CD2 C 13 25.028 . A 42 LEU CG C 13 27.006 . A 43 THR H H 1 8.103 . A 43 THR HA H 1 4.505 . A 43 THR HB H 1 4.054 . A 43 THR HG2% H 1 1.157 . A 43 THR CA C 13 59.856 . A 43 THR CB C 13 69.670 . A 43 THR CG2 C 13 21.404 . A 44 PRO HA H 1 4.354 . A 44 PRO HB2 H 1 2.184 . A 44 PRO HB3 H 1 1.804 . A 44 PRO HD2 H 1 3.617 . A 44 PRO HD3 H 1 3.771 . A 44 PRO HG2 H 1 1.952 . A 44 PRO HG3 H 1 1.877 . A 44 PRO CA C 13 63.143 . A 44 PRO CB C 13 32.082 . A 44 PRO CD C 13 51.099 . A 44 PRO CG C 13 27.375 . A 45 ILE H H 1 8.129 . A 45 ILE HA H 1 4.042 . A 45 ILE HB H 1 1.754 . A 45 ILE HD1% H 1 0.775 . A 45 ILE HG12 H 1 1.102 . A 45 ILE HG13 H 1 1.416 . A 45 ILE HG2% H 1 0.845 . A 45 ILE CA C 13 61.070 . A 45 ILE CB C 13 38.895 . A 45 ILE CD1 C 13 12.913 . A 45 ILE CG1 C 13 27.163 . A 45 ILE CG2 C 13 17.357 . A 46 ALA H H 1 8.192 . A 46 ALA HA H 1 4.191 . A 46 ALA HB% H 1 1.292 . A 46 ALA CA C 13 52.173 . A 46 ALA CB C 13 19.382 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 32 THR H A 13 GLU HA 1.0 1.8 5.5 2 1 A 9 CYS HA A 32 THR H 1.0 1.8 5.5 3 2 A 3 CYS HA A 8 ASP HB3 1.0 1.8 5.5 4 3 A 3 CYS HA A 8 ASP HB2 1.0 1.8 5.5 5 4 A 10 ALA HA A 10 ALA HB% 1.0 1.8 3.5 6 5 A 10 ALA HB% A 13 GLU HB3 1.0 1.8 5.0 7 6 A 10 ALA HB% A 13 GLU HB2 1.0 1.8 4.0 8 7 A 10 ALA HB% A 13 GLU H 1.0 1.8 5.0 9 8 A 10 ALA HA A 10 ALA H 1.0 1.8 3.5 10 9 A 10 ALA HB% A 10 ALA H 1.0 1.8 5.0 11 10 A 10 ALA H A 11 ALA H 1.0 1.8 5.0 12 11 A 13 GLU HB3 A 10 ALA H 1.0 1.8 4.0 13 12 A 13 GLU HB2 A 10 ALA H 1.0 1.8 3.5 14 13 A 10 ALA H A 13 GLU HG3 1.0 1.8 5.5 15 14 A 13 GLU H A 10 ALA H 1.0 1.8 4.5 16 15 A 10 ALA H A 9 CYS H 1.0 1.8 5.0 17 16 A 11 ALA HA A 11 ALA HB% 1.0 1.8 2.7 18 17 A 11 ALA H A 11 ALA HA 1.0 1.8 3.5 19 18 A 11 ALA HA A 12 ASP H 1.0 1.8 4.5 20 19 A 13 GLU H A 11 ALA HA 1.0 1.8 5.0 21 20 A 11 ALA H A 11 ALA HB% 1.0 1.8 3.5 22 21 A 11 ALA HB% A 12 ASP HB3 1.0 1.8 6.0 23 22 A 11 ALA HB% A 12 ASP HB2 1.0 1.8 5.0 24 23 A 10 ALA HA A 11 ALA H 1.0 1.8 3.5 25 24 A 10 ALA HB% A 11 ALA H 1.0 1.8 5.0 26 25 A 11 ALA H A 11 ALA HA 1.0 1.8 3.5 27 26 A 11 ALA H A 12 ASP H 1.0 1.8 3.5 28 27 A 13 GLU H A 11 ALA H 1.0 1.8 4.2 29 28 A 12 ASP H A 12 ASP HA 1.0 1.8 3.5 30 29 A 12 ASP H A 12 ASP HB3 1.0 1.8 4.0 31 30 A 12 ASP H A 12 ASP HB2 1.0 1.8 4.0 32 31 A 33 THR H A 32 THR HB 1.0 1.8 5.0 33 32 A 13 GLU HA A 13 GLU H 1.0 1.8 3.5 34 33 A 13 GLU HA A 14 CYS H 1.0 1.8 3.5 35 34 A 13 GLU HB3 A 13 GLU H 1.0 1.8 4.0 36 35 A 13 GLU HB3 A 14 CYS H 1.0 1.8 5.0 37 36 A 13 GLU HB2 A 13 GLU H 1.0 1.8 4.5 38 37 A 13 GLU HB2 A 14 CYS H 1.0 1.8 4.0 39 38 A 10 ALA HB% A 13 GLU HG3 1.0 1.8 5.0 40 39 A 13 GLU H A 12 ASP H 1.0 1.8 3.5 41 40 A 13 GLU H A 14 CYS H 1.0 1.8 5.0 42 41 A 14 CYS HA A 14 CYS HB3 1.0 1.8 3.2 43 42 A 14 CYS HA A 14 CYS HB2 1.0 1.8 2.7 44 43 A 14 CYS H A 14 CYS HA 1.0 1.8 3.5 45 44 A 14 CYS HA A 15 CYS H 1.0 1.8 3.5 46 45 A 14 CYS HA A 6 ASN HB3 1.0 1.8 5.0 47 46 A 14 CYS H A 14 CYS HB3 1.0 1.8 3.5 48 47 A 14 CYS HB3 A 15 CYS H 1.0 1.8 4.0 49 48 A 14 CYS H A 14 CYS HB2 1.0 1.8 4.0 50 49 A 14 CYS HB2 A 15 CYS H 1.0 1.8 5.0 51 50 A 14 CYS H A 15 CYS H 1.0 1.8 5.0 52 51 A 14 CYS H A 29 CYS HA 1.0 1.8 4.5 53 52 A 14 CYS H A 30 GLU H 1.0 1.8 3.2 54 53 A 15 CYS H A 15 CYS HA 1.0 1.8 3.5 55 54 A 15 CYS HA A 16 VAL H 1.0 1.8 3.5 56 55 A 29 CYS HA A 15 CYS HA 1.0 1.8 3.2 57 56 A 15 CYS HA A 29 CYS HB3 1.0 1.8 4.5 58 57 A 30 GLU H A 15 CYS HA 1.0 1.8 5.0 59 58 A 15 CYS H A 15 CYS HB2 1.0 1.8 3.5 60 58 A 15 CYS H A 15 CYS HB3 1.0 1.8 3.5 61 59 A 16 VAL H A 15 CYS HB2 1.0 1.8 5.0 62 59 A 16 VAL H A 15 CYS HB3 1.0 1.8 5.0 63 60 A 16 VAL HA A 16 VAL HG2% 1.0 1.8 5.0 64 61 A 16 VAL H A 16 VAL HA 1.0 1.8 3.5 65 62 A 16 VAL HA A 17 ASP H 1.0 1.8 3.5 66 63 A 16 VAL HB A 16 VAL HG1% 1.0 1.8 5.0 67 64 A 16 VAL HG2% A 16 VAL HB 1.0 1.8 5.0 68 65 A 17 ASP H A 16 VAL HB 1.0 1.8 4.5 69 66 A 15 CYS HA A 16 VAL HG1% 1.0 1.8 5.5 70 67 A 16 VAL H A 16 VAL HG1% 1.0 1.8 4.5 71 68 A 29 CYS HA A 16 VAL HG1% 1.0 1.8 5.0 72 69 A 16 VAL HG1% A 40 PRO HD3 1.0 1.8 5.0 73 70 A 16 VAL HG1% A 40 PRO HD2 1.0 1.8 5.5 74 71 A 15 CYS H A 16 VAL HG2% 1.0 1.8 5.5 75 72 A 16 VAL HG2% A 16 VAL HB 1.0 1.8 3.5 76 73 A 15 CYS H A 16 VAL H 1.0 1.8 5.0 77 74 A 16 VAL H A 16 VAL HB 1.0 1.8 3.5 78 75 A 16 VAL H A 28 SER H 1.0 1.8 3.2 79 76 A 16 VAL H A 28 SER O 1.0 1.8 2.7 80 77 A 29 CYS HA A 16 VAL H 1.0 1.8 4.0 81 78 A 17 ASP HA A 17 ASP HB2 1.0 1.8 3.5 82 79 A 17 ASP H A 17 ASP HA 1.0 1.8 3.5 83 80 A 17 ASP HA A 18 THR H 1.0 1.8 3.5 84 81 A 17 ASP HA A 27 ARG HB2 1.0 1.8 5.0 85 81 A 17 ASP HA A 27 ARG HB3 1.0 1.8 5.0 86 82 A 17 ASP HA A 27 ARG HG2 1.0 2.8 5.0 87 82 A 17 ASP HA A 27 ARG HG3 1.0 2.8 5.0 88 83 A 28 SER H A 17 ASP HA 1.0 1.8 4.0 89 84 A 17 ASP H A 17 ASP HB3 1.0 1.8 3.5 90 84 A 17 ASP H A 17 ASP HB2 1.0 1.8 3.5 91 85 A 18 THR H A 17 ASP HB3 1.0 1.8 3.5 92 86 A 18 THR H A 17 ASP HB2 1.0 1.8 5.0 93 87 A 18 THR HA A 18 THR HB 1.0 1.8 2.7 94 88 A 18 THR H A 18 THR HA 1.0 1.8 3.5 95 89 A 18 THR HA A 19 VAL H 1.0 1.8 3.5 96 90 A 18 THR H A 18 THR HB 1.0 1.8 5.0 97 91 A 18 THR HB A 19 VAL H 1.0 0.8 4.0 98 92 A 18 THR HB A 20 PHE HD1 1.0 1.8 5.0 99 92 A 18 THR HB A 20 PHE HD2 1.0 1.8 5.0 100 93 A 18 THR HB A 20 PHE HE1 1.0 1.8 5.0 101 94 A 17 ASP HA A 18 THR HG2% 1.0 1.8 5.0 102 95 A 17 ASP H A 18 THR HG2% 1.0 1.8 5.0 103 96 A 18 THR HA A 18 THR HG2% 1.0 1.8 5.0 104 97 A 19 VAL H A 18 THR HG2% 1.0 1.8 4.5 105 98 A 18 THR HG2% A 20 PHE HD1 1.0 1.8 5.0 106 98 A 18 THR HG2% A 20 PHE HD2 1.0 1.8 5.0 107 99 A 20 PHE HE1 A 18 THR HG2% 1.0 1.8 5.5 108 99 A 18 THR HG2% A 20 PHE HE2 1.0 1.8 5.5 109 100 A 28 SER H A 18 THR HG2% 1.0 1.8 5.5 110 101 A 17 ASP H A 18 THR H 1.0 1.8 5.0 111 102 A 18 THR H A 19 VAL H 1.0 1.8 5.0 112 103 A 18 THR H A 27 ARG HA 1.0 1.8 3.5 113 104 A 19 VAL H A 19 VAL HA 1.0 1.8 3.5 114 105 A 19 VAL HA A 20 PHE HD1 1.0 1.8 5.0 115 105 A 19 VAL HA A 20 PHE HD2 1.0 1.8 5.0 116 106 A 19 VAL HA A 20 PHE H 1.0 1.8 3.5 117 107 A 19 VAL HA A 21 GLU H 1.0 1.8 5.0 118 107 A 18 THR HA A 21 GLU H 1.0 1.8 5.0 119 108 A 19 VAL H A 19 VAL HB 1.0 1.8 5.0 120 109 A 25 VAL HB A 24 MET HA 1.0 1.8 5.5 121 110 A 17 ASP HB2 A 19 VAL HG1% 1.0 1.8 5.0 122 111 A 19 VAL HG1% A 17 ASP HB3 1.0 1.8 5.0 123 112 A 17 ASP HB3 A 25 VAL HG2% 1.0 1.8 6.0 124 113 A 20 PHE HE1 A 19 VAL HG2% 1.0 1.8 6.0 125 114 A 20 PHE HA A 19 VAL HG2% 1.0 1.8 5.5 126 115 A 20 PHE HB3 A 19 VAL HG2% 1.0 1.8 5.0 127 116 A 20 PHE HD1 A 19 VAL HG2% 1.0 1.8 5.0 128 117 A 20 PHE HE1 A 19 VAL HG2% 1.0 1.8 5.0 129 118 A 20 PHE H A 19 VAL HG2% 1.0 1.8 4.2 130 119 A 2 LEU HA A 2 LEU H 1.0 1.8 3.5 131 120 A 2 LEU HA A 3 CYS H 1.0 1.8 3.5 132 121 A 2 LEU H A 2 LEU HB2 1.0 1.8 3.5 133 122 A 3 CYS H A 2 LEU HD1% 1.0 1.8 5.0 134 122 A 3 CYS H A 2 LEU HD2% 1.0 1.8 5.0 135 123 A 2 LEU HD2% A 2 LEU HG 1.0 1.8 3.0 136 124 A 2 LEU H A 1 GLY HA2 1.0 1.8 3.5 137 124 A 2 LEU H A 1 GLY HA3 1.0 1.8 3.5 138 125 A 2 LEU H A 2 LEU HB3 1.0 1.8 4.5 139 126 A 2 LEU H A 2 LEU HB2 1.0 1.8 4.5 140 127 A 2 LEU H A 3 CYS H 1.0 1.8 5.0 141 128 A 20 PHE HA A 21 GLU HA 1.0 1.8 5.0 142 129 A 21 GLU H A 20 PHE HA 1.0 1.8 3.7 143 130 A 20 PHE HE1 A 20 PHE HB2 1.0 1.8 5.0 144 130 A 20 PHE HB3 A 20 PHE HE2 1.0 1.8 5.0 145 130 A 20 PHE HE2 A 20 PHE HB2 1.0 1.8 5.0 146 130 A 20 PHE HE1 A 20 PHE HB3 1.0 1.8 5.0 147 131 A 21 GLU H A 20 PHE HB3 1.0 1.8 4.0 148 132 A 21 GLU H A 20 PHE HB2 1.0 1.8 3.5 149 133 A 21 GLU H A 20 PHE HD2 1.0 1.8 5.0 150 134 A 21 GLU H A 20 PHE HD2 1.0 1.8 5.0 151 135 A 21 GLU H A 20 PHE HE2 1.0 1.8 5.0 152 136 A 20 PHE H A 19 VAL HB 1.0 1.8 5.0 153 137 A 19 VAL H A 20 PHE H 1.0 1.8 3.5 154 138 A 20 PHE H A 20 PHE HB2 1.0 1.8 3.5 155 138 A 20 PHE H A 20 PHE HB3 1.0 1.8 3.5 156 139 A 20 PHE H A 21 GLU H 1.0 1.8 4.5 157 140 A 20 PHE H A 25 VAL HA 1.0 1.8 5.0 158 141 A 21 GLU H A 21 GLU HA 1.0 1.8 3.0 159 142 A 21 GLU HA A 22 GLY H 1.0 1.8 3.5 160 143 A 21 GLU H A 21 GLU HB3 1.0 1.8 3.4 161 143 A 21 GLU H A 21 GLU HB2 1.0 1.8 3.4 162 144 A 22 GLY H A 21 GLU HB3 1.0 1.8 3.5 163 145 A 22 GLY H A 19 VAL HG2% 1.0 1.8 6.0 164 145 A 22 GLY H A 19 VAL HG1% 1.0 1.8 6.0 165 146 A 21 GLU H A 21 GLU HB2 1.0 1.8 3.5 166 147 A 20 PHE HA A 21 GLU HB3 1.0 1.8 5.5 167 148 A 20 PHE HB3 A 21 GLU HB3 1.0 1.8 5.0 168 149 A 20 PHE HB2 A 21 GLU HB3 1.0 1.8 5.0 169 150 A 20 PHE HD2 A 21 GLU HG2 1.0 1.8 5.0 170 151 A 20 PHE HD2 A 21 GLU HB3 1.0 1.8 5.0 171 152 A 20 PHE HE2 A 21 GLU HB3 1.0 1.8 5.0 172 153 A 20 PHE HE1 A 26 THR HG2% 1.0 1.8 5.0 173 153 A 20 PHE HE2 A 26 THR HG2% 1.0 1.8 5.0 174 154 A 20 PHE HD1 A 25 VAL HA 1.0 1.8 5.0 175 154 A 20 PHE HD2 A 25 VAL HA 1.0 1.8 5.0 176 155 A 20 PHE HD1 A 26 THR HG2% 1.0 1.8 5.0 177 155 A 20 PHE HD2 A 26 THR HG2% 1.0 1.8 5.0 178 156 A 20 PHE HD1 A 25 VAL HG1% 1.0 1.8 5.5 179 156 A 20 PHE HD2 A 25 VAL HG1% 1.0 1.8 5.5 180 157 A 20 PHE HE2 A 25 VAL HG1% 1.0 1.8 5.5 181 157 A 20 PHE HE1 A 25 VAL HG1% 1.0 1.8 5.5 182 158 A 20 PHE HE1 A 45 ILE HD1% 1.0 1.8 5.5 183 158 A 20 PHE HE2 A 45 ILE HD1% 1.0 1.8 5.5 184 159 A 20 PHE HD1 A 45 ILE HD1% 1.0 1.8 5.5 185 159 A 20 PHE HD2 A 45 ILE HD1% 1.0 1.8 5.5 186 160 A 21 GLU H A 22 GLY H 1.0 1.8 4.5 187 161 A 22 GLY HA3 A 23 ASP H 1.0 1.8 3.5 188 162 A 23 ASP H A 22 GLY HA2 1.0 1.8 3.5 189 163 A 22 GLY HA3 A 24 MET H 1.0 1.8 5.0 190 164 A 22 GLY HA2 A 24 MET H 1.0 1.8 4.5 191 165 A 22 GLY H A 22 GLY HA3 1.0 1.8 3.0 192 166 A 22 GLY H A 22 GLY HA2 1.0 1.8 3.5 193 167 A 23 ASP H A 23 ASP HA 1.0 1.8 3.5 194 168 A 24 MET H A 23 ASP HA 1.0 1.8 3.5 195 169 A 23 ASP H A 23 ASP HB2 1.0 1.8 3.5 196 169 A 23 ASP H A 23 ASP HB3 1.0 1.8 3.5 197 170 A 24 MET H A 23 ASP HB2 1.0 1.8 5.0 198 170 A 24 MET H A 23 ASP HB3 1.0 1.8 5.0 199 171 A 23 ASP H A 24 MET H 1.0 1.8 3.5 200 172 A 34 GLY H A 33 THR HA 1.0 1.8 3.5 201 173 A 34 GLY H A 33 THR HB 1.0 1.8 4.0 202 174 A 34 GLY H A 33 THR HG2% 1.0 1.8 5.0 203 175 A 24 MET HA A 24 MET H 1.0 1.8 3.5 204 176 A 20 PHE H A 24 MET H 1.0 1.8 6.0 205 177 A 20 PHE H A 24 MET HG2 1.0 1.8 6.0 206 177 A 20 PHE H A 24 MET HG3 1.0 1.8 6.0 207 177 A 20 PHE H A 24 MET HE% 1.0 1.8 6.0 208 178 A 45 ILE HD1% A 24 MET HG2 1.0 1.8 6.0 209 178 A 45 ILE HD1% A 24 MET HG3 1.0 1.8 6.0 210 178 A 45 ILE HD1% A 24 MET HE% 1.0 1.8 6.0 211 179 A 45 ILE HD1% A 24 MET HG2 1.0 1.8 6.0 212 179 A 45 ILE HD1% A 24 MET HG3 1.0 1.8 6.0 213 179 A 45 ILE HD1% A 24 MET HE% 1.0 1.8 6.0 214 180 A 20 PHE HE1 A 24 MET HG3 1.0 1.8 4.5 215 180 A 20 PHE HE2 A 24 MET HG2 1.0 1.8 4.5 216 180 A 20 PHE HE1 A 24 MET HE% 1.0 1.8 4.5 217 180 A 20 PHE HE1 A 24 MET HG2 1.0 1.8 4.5 218 180 A 20 PHE HE2 A 24 MET HG3 1.0 1.8 4.5 219 180 A 20 PHE HE2 A 24 MET HE% 1.0 1.8 4.5 220 181 A 20 PHE HD2 A 24 MET HG2 1.0 1.8 5.0 221 181 A 20 PHE HD1 A 24 MET HG2 1.0 1.8 5.0 222 181 A 20 PHE HD2 A 24 MET HE% 1.0 1.8 5.0 223 181 A 20 PHE HD1 A 24 MET HE% 1.0 1.8 5.0 224 181 A 20 PHE HD1 A 24 MET HG3 1.0 1.8 5.0 225 181 A 20 PHE HD2 A 24 MET HG3 1.0 1.8 5.0 226 182 A 21 GLU H A 24 MET H 1.0 1.8 5.0 227 183 A 22 GLY H A 24 MET H 1.0 1.8 5.0 228 184 A 24 MET H A 24 MET HB3 1.0 1.8 4.0 229 185 A 24 MET H A 24 MET HB2 1.0 1.8 4.0 230 186 A 24 MET H A 25 VAL H 1.0 1.8 5.0 231 187 A 25 VAL HB A 25 VAL HA 1.0 1.8 5.0 232 188 A 25 VAL HB A 25 VAL H 1.0 1.8 3.5 233 189 A 25 VAL HA A 25 VAL HG2% 1.0 1.8 5.0 234 190 A 20 PHE HD1 A 23 ASP HB3 1.0 1.8 6.0 235 190 A 20 PHE HD1 A 23 ASP HB2 1.0 1.8 6.0 236 190 A 20 PHE HD2 A 23 ASP HB3 1.0 1.8 6.0 237 190 A 20 PHE HD2 A 23 ASP HB2 1.0 1.8 6.0 238 191 A 21 GLU H A 23 ASP HB2 1.0 1.8 5.0 239 191 A 21 GLU H A 23 ASP HB3 1.0 1.8 5.0 240 192 A 24 MET HA A 25 VAL H 1.0 0.8 3.5 241 193 A 24 MET HB3 A 25 VAL H 1.0 0.8 4.5 242 194 A 24 MET HB2 A 25 VAL H 1.0 0.8 4.5 243 195 A 25 VAL HA A 25 VAL H 1.0 1.8 3.5 244 196 A 25 VAL H A 25 VAL HG1% 1.0 1.8 5.0 245 197 A 25 VAL H A 25 VAL HG2% 1.0 1.8 5.0 246 198 A 26 THR HA A 26 THR HB 1.0 1.8 3.5 247 199 A 26 THR HA A 26 THR H 1.0 1.8 3.5 248 200 A 26 THR HA A 27 ARG HB2 1.0 1.8 5.0 249 200 A 27 ARG HB3 A 26 THR HA 1.0 1.8 5.0 250 201 A 26 THR HA A 27 ARG HG2 1.0 1.8 5.0 251 201 A 27 ARG HG3 A 26 THR HA 1.0 1.8 5.0 252 202 A 26 THR HA A 27 ARG H 1.0 1.8 3.5 253 203 A 19 VAL HB A 26 THR HB 1.0 1.8 5.0 254 204 A 26 THR HB A 19 VAL HG2% 1.0 1.8 5.0 255 204 A 19 VAL HG1% A 26 THR HB 1.0 1.8 5.0 256 205 A 45 ILE HD1% A 26 THR HB 1.0 1.8 5.5 257 206 A 26 THR HG2% A 26 THR HB 1.0 1.8 2.7 258 207 A 26 THR HB A 26 THR H 1.0 1.8 3.5 259 208 A 26 THR HB A 27 ARG H 1.0 1.8 5.0 260 209 A 18 THR HB A 26 THR HG2% 1.0 1.8 5.0 261 210 A 26 THR HG2% A 27 ARG H 1.0 1.8 4.0 262 211 A 26 THR HG2% A 28 SER HB2 1.0 1.8 6.0 263 211 A 26 THR HG2% A 28 SER HB3 1.0 1.8 6.0 264 212 A 18 THR H A 26 THR H 1.0 1.8 5.0 265 213 A 19 VAL HA A 26 THR H 1.0 1.8 5.0 266 214 A 25 VAL HA A 26 THR H 1.0 1.8 5.0 267 215 A 26 THR H A 25 VAL HG2% 1.0 1.8 6.0 268 215 A 26 THR H A 25 VAL HG1% 1.0 1.8 6.0 269 216 A 25 VAL H A 26 THR H 1.0 1.8 5.0 270 217 A 26 THR H A 27 ARG H 1.0 1.8 5.0 271 218 A 17 ASP HA A 27 ARG HA 1.0 0.8 3.1 272 219 A 27 ARG HA A 27 ARG HB2 1.0 1.8 2.7 273 219 A 27 ARG HB3 A 27 ARG HA 1.0 1.8 2.7 274 220 A 28 SER H A 27 ARG HA 1.0 1.8 3.5 275 221 A 27 ARG HB3 A 27 ARG HD2 1.0 1.8 3.5 276 221 A 27 ARG HD2 A 27 ARG HB2 1.0 1.8 3.5 277 222 A 27 ARG H A 27 ARG HB2 1.0 1.8 3.5 278 222 A 27 ARG HB3 A 27 ARG H 1.0 1.8 3.5 279 223 A 28 SER H A 27 ARG HB2 1.0 1.8 3.5 280 223 A 28 SER H A 27 ARG HB3 1.0 1.8 3.5 281 224 A 27 ARG HE A 27 ARG HD3 1.0 1.8 3.5 282 224 A 27 ARG HD2 A 27 ARG HE 1.0 1.8 3.5 283 225 A 27 ARG HG3 A 27 ARG HD2 1.0 1.8 2.7 284 225 A 27 ARG HD2 A 27 ARG HG2 1.0 1.8 2.7 285 226 A 27 ARG HE A 27 ARG HB2 1.0 1.8 5.0 286 226 A 27 ARG HB3 A 27 ARG HE 1.0 1.8 5.0 287 227 A 27 ARG HA A 27 ARG HG2 1.0 1.8 5.0 288 227 A 27 ARG HG3 A 27 ARG HA 1.0 1.8 5.0 289 228 A 27 ARG H A 27 ARG HG2 1.0 1.8 3.5 290 228 A 27 ARG HG3 A 27 ARG H 1.0 1.8 3.5 291 229 A 26 THR HG2% A 27 ARG H 1.0 1.8 5.0 292 230 A 28 SER H A 27 ARG H 1.0 1.8 4.5 293 231 A 28 SER HA A 28 SER HB2 1.0 1.8 2.7 294 231 A 28 SER HB3 A 28 SER HA 1.0 1.8 2.7 295 232 A 28 SER H A 28 SER HA 1.0 1.8 3.5 296 233 A 28 SER HA A 29 CYS H 1.0 1.8 3.5 297 234 A 16 VAL HG1% A 28 SER HB2 1.0 1.8 5.5 298 234 A 16 VAL HG1% A 28 SER HB3 1.0 1.8 5.5 299 235 A 28 SER H A 28 SER HB2 1.0 1.8 3.5 300 235 A 28 SER H A 28 SER HB3 1.0 1.8 3.5 301 236 A 28 SER HB2 A 29 CYS HB2 1.0 1.8 5.0 302 236 A 28 SER HB3 A 29 CYS HB2 1.0 1.8 5.0 303 236 A 29 CYS HB3 A 28 SER HB2 1.0 1.8 5.0 304 236 A 28 SER HB3 A 29 CYS HB3 1.0 1.8 5.0 305 237 A 29 CYS H A 28 SER HB2 1.0 1.8 3.5 306 237 A 28 SER HB3 A 29 CYS H 1.0 1.8 3.5 307 238 A 29 CYS HA A 29 CYS HB2 1.0 1.8 3.5 308 239 A 29 CYS HA A 29 CYS H 1.0 1.8 3.5 309 240 A 29 CYS HA A 30 GLU H 1.0 1.8 3.5 310 241 A 29 CYS H A 29 CYS HB3 1.0 1.8 3.5 311 242 A 30 GLU H A 29 CYS HB3 1.0 1.8 5.0 312 243 A 29 CYS H A 29 CYS HB2 1.0 1.8 3.5 313 244 A 30 GLU H A 29 CYS HB2 1.0 1.8 5.0 314 245 A 28 SER H A 29 CYS H 1.0 1.8 5.0 315 246 A 30 GLU H A 29 CYS H 1.0 1.8 5.0 316 247 A 3 CYS HA A 17 ASP H 1.0 1.8 6.0 317 248 A 3 CYS HA A 3 CYS H 1.0 1.8 5.0 318 249 A 3 CYS HA A 4 SER H 1.0 1.8 3.5 319 250 A 3 CYS HB3 A 15 CYS HB2 1.0 1.8 5.0 320 250 A 15 CYS HB3 A 3 CYS HB3 1.0 1.8 5.0 321 251 A 3 CYS H A 3 CYS HB3 1.0 1.8 4.0 322 252 A 8 ASP HB3 A 3 CYS HB3 1.0 1.8 4.0 323 253 A 8 ASP HB2 A 3 CYS HB3 1.0 1.8 4.0 324 254 A 3 CYS HB2 A 15 CYS HB2 1.0 1.8 5.0 325 254 A 15 CYS HB3 A 3 CYS HB2 1.0 1.8 5.0 326 255 A 3 CYS H A 3 CYS HB2 1.0 1.8 4.0 327 256 A 4 SER H A 3 CYS HB3 1.0 1.8 4.0 328 257 A 4 SER H A 3 CYS HB2 1.0 1.8 5.0 329 258 A 8 ASP HB3 A 3 CYS HB2 1.0 1.8 5.5 330 259 A 8 ASP HB2 A 3 CYS HB2 1.0 1.8 5.5 331 260 A 3 CYS H A 2 LEU HB3 1.0 1.8 4.0 332 261 A 3 CYS H A 2 LEU HB2 1.0 1.8 5.0 333 262 A 30 GLU HA A 31 LYS H 1.0 1.8 5.0 334 263 A 30 GLU HB3 A 30 GLU HG2 1.0 1.8 2.7 335 263 A 30 GLU HB3 A 30 GLU HG3 1.0 1.8 2.7 336 264 A 30 GLU H A 30 GLU HB3 1.0 1.8 5.0 337 265 A 30 GLU H A 30 GLU HB2 1.0 1.8 3.5 338 266 A 30 GLU H A 15 CYS HA 1.0 1.8 4.5 339 267 A 13 GLU HA A 30 GLU H 1.0 1.8 5.0 340 268 A 31 LYS HA A 13 GLU HG3 1.0 1.8 4.5 341 269 A 31 LYS HA A 13 GLU HG2 1.0 1.8 5.0 342 270 A 31 LYS HA A 31 LYS HB3 1.0 1.8 3.5 343 271 A 31 LYS HA A 31 LYS HB2 1.0 1.8 3.5 344 272 A 31 LYS H A 31 LYS HA 1.0 1.8 4.0 345 273 A 32 THR H A 31 LYS HA 1.0 1.8 3.5 346 274 A 31 LYS H A 31 LYS HB3 1.0 1.8 4.0 347 275 A 32 THR H A 31 LYS HB3 1.0 1.8 3.5 348 276 A 31 LYS H A 31 LYS HB2 1.0 1.8 3.5 349 277 A 32 THR H A 31 LYS HB2 1.0 1.8 4.0 350 278 A 31 LYS HB3 A 31 LYS HD2 1.0 1.8 3.5 351 278 A 31 LYS HB2 A 31 LYS HD2 1.0 1.8 3.5 352 278 A 31 LYS HD3 A 31 LYS HB2 1.0 1.8 3.5 353 278 A 31 LYS HD3 A 31 LYS HB3 1.0 1.8 3.5 354 279 A 31 LYS HD2 A 31 LYS HE2 1.0 1.8 3.5 355 279 A 31 LYS HD3 A 31 LYS HE2 1.0 1.8 3.5 356 279 A 31 LYS HE3 A 31 LYS HD2 1.0 1.8 3.5 357 279 A 31 LYS HD3 A 31 LYS HE3 1.0 1.8 3.5 358 280 A 32 THR H A 31 LYS HD2 1.0 1.8 5.0 359 280 A 32 THR H A 31 LYS HD3 1.0 1.8 5.0 360 281 A 32 THR H A 31 LYS HG3 1.0 1.8 5.0 361 281 A 32 THR H A 31 LYS HG2 1.0 1.8 5.0 362 282 A 31 LYS HB3 A 31 LYS HG2 1.0 1.8 3.5 363 283 A 31 LYS H A 30 GLU HB3 1.0 1.8 3.5 364 284 A 31 LYS H A 30 GLU HB2 1.0 1.8 5.0 365 285 A 30 GLU H A 31 LYS H 1.0 1.8 5.0 366 286 A 32 THR H A 31 LYS H 1.0 1.8 5.0 367 287 A 32 THR H A 32 THR HA 1.0 1.8 3.0 368 288 A 33 THR H A 32 THR HA 1.0 1.8 2.7 369 289 A 13 GLU HA A 32 THR HG2% 1.0 1.8 6.0 370 289 A 9 CYS HA A 32 THR HG2% 1.0 1.8 6.0 371 290 A 31 LYS HA A 32 THR HG2% 1.0 1.8 6.0 372 291 A 32 THR HG2% A 36 PHE HA 1.0 1.8 5.0 373 292 A 32 THR HG2% A 36 PHE HE1 1.0 1.8 5.0 374 292 A 32 THR HG2% A 36 PHE HE2 1.0 1.8 5.0 375 293 A 32 THR H A 13 GLU HA 1.0 1.8 5.5 376 293 A 9 CYS HA A 32 THR H 1.0 1.8 5.5 377 294 A 32 THR H A 10 ALA HB% 1.0 1.8 5.0 378 295 A 32 THR H A 13 GLU HG2 1.0 1.8 5.0 379 295 A 32 THR H A 13 GLU HG3 1.0 1.8 5.0 380 296 A 32 THR H A 13 GLU HG3 1.0 1.8 4.5 381 297 A 32 THR H A 31 LYS HA 1.0 1.8 6.0 382 298 A 32 THR H A 32 THR HB 1.0 1.8 5.0 383 299 A 32 THR H A 33 THR H 1.0 0.8 4.5 384 300 A 33 THR H A 33 THR HA 1.0 1.8 3.0 385 301 A 33 THR HA A 34 GLY HA3 1.0 1.8 4.0 386 302 A 33 THR HG2% A 34 GLY HA3 1.0 1.8 5.0 387 302 A 33 THR HG2% A 34 GLY HA2 1.0 1.8 5.0 388 303 A 33 THR H A 32 THR HB 1.0 1.8 5.0 389 304 A 33 THR H A 33 THR HB 1.0 1.8 5.0 390 305 A 35 ASN H A 34 GLY HA3 1.0 1.8 4.0 391 305 A 34 GLY HA2 A 35 ASN H 1.0 1.8 4.0 392 306 A 34 GLY H A 33 THR HA 1.0 1.8 3.5 393 307 A 34 GLY H A 32 THR HG2% 1.0 1.8 5.0 394 308 A 33 THR H A 34 GLY H 1.0 1.8 5.0 395 309 A 34 GLY H A 35 ASN H 1.0 1.8 4.5 396 310 A 35 ASN HA A 35 ASN HD22 1.0 1.8 6.0 397 311 A 35 ASN H A 35 ASN HA 1.0 1.8 3.5 398 312 A 35 ASN HA A 36 PHE H 1.0 1.8 3.5 399 313 A 35 ASN HB3 A 35 ASN HD21 1.0 1.8 4.0 400 314 A 35 ASN HD22 A 35 ASN HB3 1.0 1.8 5.0 401 315 A 35 ASN HD22 A 35 ASN HB3 1.0 1.8 5.0 402 316 A 35 ASN HD21 A 35 ASN HB2 1.0 1.8 5.0 403 317 A 35 ASN HD22 A 35 ASN HB2 1.0 1.8 4.0 404 318 A 35 ASN HD22 A 35 ASN HB2 1.0 1.8 5.0 405 319 A 35 ASN H A 35 ASN HD21 1.0 1.8 5.0 406 320 A 35 ASN H A 35 ASN HB3 1.0 1.8 4.5 407 321 A 35 ASN H A 35 ASN HB2 1.0 1.8 3.2 408 322 A 35 ASN H A 36 PHE H 1.0 1.8 5.0 409 323 A 36 PHE HA A 36 PHE H 1.0 1.8 3.0 410 324 A 36 PHE HA A 37 THR H 1.0 1.8 3.5 411 325 A 37 THR H A 36 PHE HD1 1.0 1.8 5.0 412 325 A 37 THR H A 36 PHE HD2 1.0 1.8 5.0 413 326 A 35 ASN HB3 A 36 PHE HD1 1.0 1.8 5.0 414 327 A 35 ASN HB2 A 36 PHE HD1 1.0 1.8 6.0 415 328 A 32 THR HA A 36 PHE HD2 1.0 1.8 5.0 416 329 A 32 THR HB A 36 PHE HD2 1.0 1.8 5.0 417 330 A 32 THR HG2% A 36 PHE HD2 1.0 1.8 4.0 418 331 A 32 THR HB A 36 PHE HE2 1.0 1.8 5.0 419 332 A 36 PHE H A 35 ASN HB3 1.0 1.8 4.5 420 333 A 36 PHE H A 35 ASN HB2 1.0 1.8 4.5 421 334 A 36 PHE H A 36 PHE HB3 1.0 1.8 3.5 422 335 A 36 PHE H A 36 PHE HB2 1.0 1.8 3.5 423 336 A 32 THR HA A 37 THR HG2% 1.0 1.8 5.0 424 337 A 36 PHE HA A 37 THR HG2% 1.0 1.8 5.5 425 338 A 37 THR H A 36 PHE HB3 1.0 1.8 5.0 426 339 A 37 THR H A 36 PHE HB2 1.0 1.8 5.0 427 340 A 37 THR H A 37 THR HA 1.0 1.8 3.5 428 341 A 37 THR H A 38 GLU H 1.0 1.8 4.0 429 342 A 38 GLU H A 38 GLU HA 1.0 1.8 3.5 430 343 A 38 GLU HA A 39 CYS HB2 1.0 1.8 5.5 431 343 A 38 GLU HA A 39 CYS HB3 1.0 1.8 5.5 432 344 A 38 GLU H A 38 GLU HB2 1.0 1.8 4.0 433 344 A 38 GLU H A 38 GLU HB3 1.0 1.8 4.0 434 345 A 39 CYS H A 38 GLU HB2 1.0 1.8 5.0 435 345 A 38 GLU HB3 A 39 CYS H 1.0 1.8 5.0 436 346 A 37 THR HA A 38 GLU H 1.0 1.8 3.0 437 347 A 38 GLU H A 38 GLU HG2 1.0 1.8 4.5 438 347 A 38 GLU H A 38 GLU HG3 1.0 1.8 4.5 439 348 A 38 GLU H A 39 CYS H 1.0 1.8 5.0 440 349 A 29 CYS H A 39 CYS HA 1.0 1.8 5.0 441 350 A 39 CYS H A 39 CYS HA 1.0 1.8 3.5 442 351 A 39 CYS HA A 40 PRO HD3 1.0 1.8 3.0 443 352 A 39 CYS HA A 40 PRO HD2 1.0 1.8 3.0 444 353 A 39 CYS HA A 40 PRO HG3 1.0 1.8 5.0 445 353 A 39 CYS HA A 40 PRO HG2 1.0 1.8 5.0 446 354 A 39 CYS H A 39 CYS HB2 1.0 1.8 3.5 447 354 A 39 CYS HB3 A 39 CYS H 1.0 1.8 3.5 448 355 A 14 CYS HB3 A 39 CYS HB3 1.0 1.8 5.0 449 356 A 14 CYS HB2 A 39 CYS HB3 1.0 1.8 5.0 450 357 A 38 GLU HA A 39 CYS H 1.0 1.8 5.0 451 358 A 39 CYS H A 38 GLU HG2 1.0 1.8 5.5 452 358 A 39 CYS H A 38 GLU HG3 1.0 1.8 5.5 453 359 A 39 CYS H A 39 CYS HB2 1.0 1.8 3.5 454 359 A 39 CYS HB3 A 39 CYS H 1.0 1.8 3.5 455 360 A 4 SER H A 4 SER HB3 1.0 1.8 5.0 456 361 A 4 SER HB3 A 5 GLU HB3 1.0 1.8 4.0 457 362 A 4 SER HB3 A 5 GLU HB2 1.0 1.8 5.0 458 363 A 4 SER HB3 A 5 GLU HG3 1.0 1.8 4.5 459 364 A 4 SER HB3 A 5 GLU HG2 1.0 1.8 5.0 460 365 A 4 SER HB3 A 5 GLU H 1.0 1.8 4.0 461 366 A 4 SER H A 4 SER HB2 1.0 1.8 5.0 462 367 A 5 GLU H A 4 SER HB2 1.0 1.8 4.0 463 368 A 4 SER H A 5 GLU H 1.0 1.8 5.0 464 369 A 8 ASP HB2 A 4 SER HB3 1.0 1.8 5.0 465 370 A 28 SER HB3 A 40 PRO HD3 1.0 1.8 5.0 466 370 A 40 PRO HD2 A 28 SER HB2 1.0 1.8 5.0 467 370 A 28 SER HB3 A 40 PRO HD2 1.0 1.8 5.0 468 370 A 28 SER HB2 A 40 PRO HD3 1.0 1.8 5.0 469 371 A 39 CYS HB3 A 40 PRO HD3 1.0 1.8 4.5 470 372 A 39 CYS HB2 A 40 PRO HD3 1.0 1.8 4.0 471 373 A 39 CYS H A 40 PRO HD3 1.0 1.8 5.0 472 374 A 39 CYS HB3 A 40 PRO HD2 1.0 1.8 4.0 473 375 A 40 PRO HD2 A 39 CYS HB2 1.0 1.8 4.0 474 376 A 39 CYS H A 40 PRO HD2 1.0 1.8 5.5 475 377 A 41 GLY HA3 A 41 GLY H 1.0 1.8 3.0 476 378 A 41 GLY HA3 A 42 LEU HA 1.0 1.8 5.0 477 379 A 41 GLY H A 41 GLY HA2 1.0 1.8 3.0 478 380 A 42 LEU HA A 41 GLY HA2 1.0 1.8 5.0 479 381 A 41 GLY H A 40 PRO HA 1.0 1.8 2.8 480 382 A 41 GLY H A 40 PRO HB3 1.0 1.8 4.0 481 383 A 41 GLY H A 40 PRO HB2 1.0 1.8 3.5 482 384 A 40 PRO HD2 A 41 GLY H 1.0 1.8 5.5 483 385 A 40 PRO HG2 A 41 GLY H 1.0 1.8 5.0 484 386 A 41 GLY H A 42 LEU H 1.0 1.8 3.5 485 387 A 42 LEU HA A 42 LEU HB3 1.0 1.8 2.7 486 388 A 42 LEU HA A 42 LEU HD1% 1.0 1.8 4.0 487 389 A 42 LEU HA A 42 LEU H 1.0 1.8 3.5 488 390 A 42 LEU H A 42 LEU HB3 1.0 1.8 3.5 489 390 A 42 LEU H A 42 LEU HB2 1.0 1.8 3.5 490 391 A 41 GLY HA3 A 42 LEU HD2% 1.0 1.8 5.5 491 392 A 41 GLY HA2 A 42 LEU HD2% 1.0 1.8 4.5 492 393 A 42 LEU H A 42 LEU HD2% 1.0 1.8 5.0 493 394 A 41 GLY HA3 A 42 LEU H 1.0 1.8 3.5 494 395 A 41 GLY HA2 A 42 LEU H 1.0 1.8 3.5 495 396 A 42 LEU H A 42 LEU HD1% 1.0 1.8 4.0 496 397 A 42 LEU H A 42 LEU HG 1.0 1.8 3.5 497 398 A 43 THR HB A 43 THR H 1.0 1.8 4.0 498 399 A 43 THR HG2% A 43 THR HA 1.0 1.8 5.0 499 400 A 43 THR HA A 44 PRO HD3 1.0 1.8 4.0 500 401 A 43 THR HA A 44 PRO HD2 1.0 1.8 4.0 501 402 A 43 THR HB A 44 PRO HD2 1.0 1.8 4.5 502 403 A 43 THR HG2% A 44 PRO HD2 1.0 1.8 5.5 503 404 A 43 THR HG2% A 44 PRO HD3 1.0 1.8 5.5 504 405 A 43 THR HB A 43 THR HG2% 1.0 1.8 4.0 505 406 A 43 THR H A 43 THR HG2% 1.0 1.8 5.0 506 407 A 44 PRO HA A 44 PRO HD3 1.0 1.8 3.5 507 407 A 44 PRO HA A 44 PRO HD2 1.0 1.8 3.5 508 408 A 44 PRO HB3 A 44 PRO HD3 1.0 1.8 4.0 509 409 A 44 PRO HD2 A 44 PRO HB3 1.0 1.8 4.0 510 410 A 44 PRO HB2 A 44 PRO HD3 1.0 1.8 5.0 511 411 A 44 PRO HD2 A 44 PRO HB2 1.0 1.8 5.0 512 412 A 44 PRO HB2 A 45 ILE H 1.0 1.8 6.0 513 413 A 44 PRO HD2 A 44 PRO HG2 1.0 1.8 3.5 514 413 A 44 PRO HD3 A 44 PRO HG2 1.0 1.8 3.5 515 413 A 44 PRO HG3 A 44 PRO HD3 1.0 1.8 3.5 516 413 A 44 PRO HD2 A 44 PRO HG3 1.0 1.8 3.5 517 414 A 45 ILE H A 44 PRO HD3 1.0 1.8 6.0 518 415 A 44 PRO HD2 A 45 ILE HA 1.0 1.8 5.0 519 416 A 44 PRO HD2 A 45 ILE H 1.0 1.8 5.0 520 417 A 44 PRO HA A 45 ILE HA 1.0 1.8 5.0 521 418 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 4.0 522 419 A 45 ILE H A 45 ILE HA 1.0 1.8 6.0 523 420 A 45 ILE HA A 45 ILE HB 1.0 1.8 5.0 524 421 A 45 ILE HB A 46 ALA H 1.0 1.8 6.0 525 422 A 45 ILE HD1% A 45 ILE HA 1.0 1.8 5.0 526 423 A 45 ILE HD1% A 45 ILE HG13 1.0 1.8 4.0 527 423 A 45 ILE HD1% A 45 ILE HG12 1.0 1.8 4.0 528 424 A 45 ILE HB A 45 ILE HG12 1.0 1.8 5.0 529 425 A 45 ILE HG2% A 46 ALA H 1.0 1.8 4.0 530 426 A 44 PRO HB2 A 45 ILE H 1.0 1.8 5.0 531 427 A 45 ILE H A 45 ILE HA 1.0 1.8 3.5 532 428 A 45 ILE H A 45 ILE HB 1.0 1.8 3.5 533 429 A 45 ILE H A 45 ILE HG13 1.0 1.8 5.0 534 430 A 45 ILE H A 45 ILE HG2% 1.0 1.8 5.0 535 431 A 45 ILE HA A 46 ALA H 1.0 1.8 3.5 536 432 A 45 ILE HB A 46 ALA H 1.0 1.8 5.0 537 433 A 45 ILE HG2% A 46 ALA H 1.0 1.8 5.0 538 434 A 46 ALA H A 46 ALA HA 1.0 1.8 5.0 539 435 A 5 GLU HG3 A 5 GLU HA 1.0 1.8 5.0 540 436 A 5 GLU HG2 A 5 GLU HA 1.0 1.8 3.5 541 437 A 5 GLU HA A 7 GLY H 1.0 1.8 5.0 542 438 A 5 GLU HB3 A 5 GLU H 1.0 1.8 5.0 543 439 A 5 GLU HB3 A 6 ASN H 1.0 1.8 4.5 544 440 A 5 GLU HB3 A 7 GLY H 1.0 1.8 5.0 545 441 A 5 GLU HB2 A 5 GLU H 1.0 1.8 5.0 546 442 A 5 GLU HB2 A 6 ASN H 1.0 1.8 4.5 547 443 A 5 GLU HB2 A 7 GLY H 1.0 1.8 5.0 548 444 A 15 CYS H A 6 ASN HA 1.0 1.8 5.0 549 445 A 5 GLU HG2 A 6 ASN H 1.0 1.8 5.0 550 446 A 7 GLY H A 6 ASN H 1.0 1.8 3.5 551 447 A 7 GLY H A 7 GLY HA3 1.0 1.8 3.5 552 448 A 7 GLY HA3 A 8 ASP H 1.0 1.8 3.5 553 449 A 7 GLY H A 7 GLY HA2 1.0 1.8 3.5 554 450 A 8 ASP H A 7 GLY HA2 1.0 1.8 3.5 555 451 A 6 ASN HB3 A 7 GLY H 1.0 1.8 4.0 556 452 A 7 GLY H A 6 ASN HB2 1.0 1.8 4.0 557 453 A 8 ASP H A 8 ASP HA 1.0 1.8 3.5 558 454 A 9 CYS H A 8 ASP HA 1.0 1.8 3.5 559 455 A 8 ASP HB3 A 9 CYS H 1.0 1.8 5.0 560 456 A 8 ASP HB2 A 9 CYS H 1.0 1.8 5.0 561 457 A 7 GLY H A 8 ASP H 1.0 1.8 5.0 562 458 A 8 ASP HB3 A 8 ASP H 1.0 1.8 3.5 563 459 A 8 ASP HB2 A 8 ASP H 1.0 1.8 3.5 564 460 A 9 CYS H A 8 ASP H 1.0 1.8 3.5 565 461 A 9 CYS HA A 10 ALA HB% 1.0 1.8 5.0 566 462 A 9 CYS HA A 10 ALA H 1.0 1.8 3.5 567 463 A 9 CYS HA A 29 CYS HB2 1.0 1.8 5.0 568 463 A 9 CYS HA A 29 CYS HB3 1.0 1.8 5.0 569 464 A 9 CYS HA A 9 CYS H 1.0 1.8 3.5 570 465 A 10 ALA HB% A 9 CYS HB3 1.0 1.8 5.0 571 466 A 10 ALA H A 9 CYS HB3 1.0 1.8 4.0 572 467 A 13 GLU HB3 A 9 CYS HB3 1.0 1.8 4.0 573 468 A 13 GLU HB2 A 9 CYS HB3 1.0 1.8 4.0 574 469 A 29 CYS HB3 A 9 CYS HB3 1.0 1.8 4.5 575 470 A 9 CYS H A 9 CYS HB3 1.0 1.8 5.0 576 471 A 10 ALA HB% A 9 CYS HB2 1.0 1.8 5.0 577 472 A 10 ALA H A 9 CYS HB2 1.0 1.8 4.0 578 473 A 13 GLU HB3 A 9 CYS HB2 1.0 1.8 4.0 579 474 A 13 GLU HB2 A 9 CYS HB2 1.0 1.8 4.0 580 475 A 29 CYS HB3 A 9 CYS HB2 1.0 1.8 4.5 581 476 A 9 CYS H A 9 CYS HB2 1.0 1.8 3.2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 14 CYS H A 30 GLU O 1.0 1.8 4.0 2 2 A 28 SER H A 16 VAL O 1.0 1.8 3.2 3 3 A 30 GLU H A 14 CYS O 1.0 1.8 3.2 4 4 A 26 THR H A 18 THR O 1.0 1.8 4.0 5 5 A 33 THR H A 35 ASN O 1.0 1.8 3.2 6 6 A 32 THR H A 13 GLU OE2 1.0 1.8 4.0 7 6 A 32 THR H A 13 GLU OE1 1.0 1.8 4.0 stop_ save_