data_nef_c17792_2lg4 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 3 CYS SG 1 40 CYS SG 1 12 CYS SG 1 33 CYS SG 1 19 CYS SG 1 37 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 ALA start . . 2 A 2 ALA middle . . 3 A 3 CYS middle -HG . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 ARG middle . . 7 A 7 ALA middle . . 8 A 8 HIS middle . . 9 A 9 GLY middle . false 10 A 10 HIS middle . . 11 A 11 ILE middle . . 12 A 12 CYS middle -HG . 13 A 13 GLU middle . . 14 A 14 SER middle . . 15 A 15 PHE middle . . 16 A 16 LYS middle . . 17 A 17 SER middle . . 18 A 18 PHE middle . . 19 A 19 CYS middle -HG . 20 A 20 LYS middle . . 21 A 21 ASP middle . . 22 A 22 SER middle . . 23 A 23 GLY middle . false 24 A 24 ARG middle . . 25 A 25 ASN middle . . 26 A 26 GLY middle . false 27 A 27 VAL middle . . 28 A 28 LYS middle . . 29 A 29 LEU middle . . 30 A 30 ARG middle . . 31 A 31 ALA middle . . 32 A 32 ASN middle . . 33 A 33 CYS middle -HG . 34 A 34 LYS middle . . 35 A 35 LYS middle . . 36 A 36 THR middle . . 37 A 37 CYS middle -HG . 38 A 38 GLY middle . false 39 A 39 LEU middle . . 40 A 40 CYS end -HG . 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 ALA HA H 1 4.058 0.020 A 1 ALA HB% H 1 1.499 0.020 A 1 ALA CA C 13 49.021 0.3 A 1 ALA CB C 13 16.685 0.3 A 2 ALA H H 1 8.594 0.020 A 2 ALA HA H 1 4.281 0.020 A 2 ALA HB% H 1 1.345 0.020 A 2 ALA CA C 13 49.802 0.3 A 2 ALA CB C 13 16.473 0.3 A 2 ALA N N 15 123.571 0.3 A 3 CYS H H 1 8.550 0.020 A 3 CYS HA H 1 4.736 0.020 A 3 CYS HBy H 1 3.143 0.020 A 3 CYS HBx H 1 2.894 0.020 A 3 CYS CB C 13 35.601 0.3 A 3 CYS N N 15 121.201 0.3 A 4 SER H H 1 8.126 0.020 A 4 SER HA H 1 4.559 0.020 A 4 SER HB2 H 1 3.763 0.020 A 4 SER HB3 H 1 3.763 0.020 A 4 SER CA C 13 54.669 0.3 A 4 SER CB C 13 63.077 0.3 A 4 SER N N 15 120.366 0.3 A 5 ASP H H 1 8.707 0.020 A 5 ASP HA H 1 4.932 0.020 A 5 ASP HBy H 1 3.233 0.020 A 5 ASP HBx H 1 2.638 0.020 A 5 ASP CA C 13 51.830 0.3 A 5 ASP CB C 13 38.835 0.3 A 5 ASP N N 15 122.090 0.3 A 6 ARG H H 1 8.480 0.020 A 6 ARG HA H 1 4.244 0.020 A 6 ARG HB2 H 1 1.940 0.020 A 6 ARG HB3 H 1 1.940 0.020 A 6 ARG HD2 H 1 3.249 0.020 A 6 ARG HD3 H 1 3.249 0.020 A 6 ARG HE H 1 6.983 0.020 A 6 ARG HGy H 1 1.787 0.020 A 6 ARG HGx H 1 1.688 0.020 A 6 ARG CA C 13 53.825 0.3 A 6 ARG CB C 13 29.208 0.3 A 6 ARG CD C 13 40.835 0.3 A 6 ARG CG C 13 24.714 0.3 A 6 ARG N N 15 125.097 0.3 A 7 ALA H H 1 8.014 0.020 A 7 ALA HA H 1 4.254 0.020 A 7 ALA HB% H 1 1.368 0.020 A 7 ALA CA C 13 49.514 0.3 A 7 ALA CB C 13 16.497 0.3 A 7 ALA N N 15 121.251 0.3 A 8 HIS H H 1 8.458 0.020 A 8 HIS HA H 1 4.712 0.020 A 8 HIS HBy H 1 3.348 0.020 A 8 HIS HBx H 1 3.171 0.020 A 8 HIS HD2 H 1 7.243 0.020 A 8 HIS HE1 H 1 8.344 0.020 A 8 HIS CB C 13 26.767 0.3 A 8 HIS N N 15 118.806 0.3 A 9 GLY H H 1 8.616 0.020 A 9 GLY HAx H 1 3.739 0.020 A 9 GLY HAy H 1 3.954 0.020 A 9 GLY CA C 13 43.767 0.3 A 9 GLY N N 15 108.940 0.3 A 10 HIS H H 1 8.997 0.020 A 10 HIS HA H 1 4.892 0.020 A 10 HIS HBy H 1 3.405 0.020 A 10 HIS HBx H 1 3.174 0.020 A 10 HIS HD2 H 1 7.183 0.020 A 10 HIS HE1 H 1 8.405 0.020 A 10 HIS CA C 13 49.703 0.3 A 10 HIS CB C 13 25.474 0.3 A 10 HIS N N 15 119.951 0.3 A 11 ILE H H 1 7.404 0.020 A 11 ILE HA H 1 3.823 0.020 A 11 ILE HB H 1 1.867 0.020 A 11 ILE HD1% H 1 0.832 0.020 A 11 ILE HG1y H 1 1.562 0.020 A 11 ILE HG1x H 1 1.242 0.020 A 11 ILE HG2% H 1 0.824 0.020 A 11 ILE CA C 13 61.927 0.3 A 11 ILE CB C 13 35.377 0.3 A 11 ILE CD1 C 13 10.009 0.3 A 11 ILE CG1 C 13 26.060 0.3 A 11 ILE CG2 C 13 14.286 0.3 A 11 ILE N N 15 120.819 0.3 A 12 CYS H H 1 8.477 0.020 A 12 CYS HA H 1 4.340 0.020 A 12 CYS HBy H 1 2.840 0.020 A 12 CYS HBx H 1 2.684 0.020 A 12 CYS CA C 13 55.303 0.3 A 12 CYS CB C 13 35.004 0.3 A 12 CYS N N 15 117.375 0.3 A 13 GLU H H 1 8.220 0.020 A 13 GLU HA H 1 3.913 0.020 A 13 GLU HBy H 1 2.012 0.020 A 13 GLU HBx H 1 1.966 0.020 A 13 GLU HG2 H 1 2.319 0.020 A 13 GLU HG3 H 1 2.319 0.020 A 13 GLU CA C 13 56.686 0.3 A 13 GLU CB C 13 25.207 0.3 A 13 GLU CG C 13 31.170 0.3 A 13 GLU N N 15 117.538 0.3 A 14 SER H H 1 7.932 0.020 A 14 SER HA H 1 4.168 0.020 A 14 SER HBy H 1 3.745 0.020 A 14 SER HBx H 1 3.524 0.020 A 14 SER CA C 13 58.728 0.3 A 14 SER CB C 13 60.340 0.3 A 14 SER N N 15 113.986 0.3 A 15 PHE H H 1 7.734 0.020 A 15 PHE HA H 1 4.930 0.020 A 15 PHE HBy H 1 3.681 0.020 A 15 PHE HBx H 1 2.792 0.020 A 15 PHE HD1 H 1 7.258 0.020 A 15 PHE HD2 H 1 7.258 0.020 A 15 PHE HE1 H 1 7.254 0.020 A 15 PHE HE2 H 1 7.254 0.020 A 15 PHE CA C 13 54.651 0.3 A 15 PHE CB C 13 37.133 0.3 A 15 PHE N N 15 117.940 0.3 A 16 LYS H H 1 7.117 0.020 A 16 LYS HA H 1 4.259 0.020 A 16 LYS HB2 H 1 1.930 0.020 A 16 LYS HB3 H 1 1.930 0.020 A 16 LYS HD2 H 1 1.660 0.020 A 16 LYS HD3 H 1 1.660 0.020 A 16 LYS HE2 H 1 3.128 0.020 A 16 LYS HE3 H 1 3.128 0.020 A 16 LYS HGy H 1 1.508 0.020 A 16 LYS HGx H 1 1.271 0.020 A 16 LYS CA C 13 54.889 0.3 A 16 LYS CB C 13 29.491 0.3 A 16 LYS CD C 13 27.149 0.3 A 16 LYS CE C 13 39.577 0.3 A 16 LYS CG C 13 21.488 0.3 A 16 LYS N N 15 120.428 0.3 A 17 SER H H 1 8.678 0.020 A 17 SER HA H 1 4.147 0.020 A 17 SER HB2 H 1 3.621 0.020 A 17 SER HB3 H 1 3.621 0.020 A 17 SER CA C 13 58.609 0.3 A 17 SER CB C 13 59.470 0.3 A 17 SER N N 15 116.771 0.3 A 18 PHE H H 1 8.507 0.020 A 18 PHE HA H 1 4.695 0.020 A 18 PHE HBy H 1 3.334 0.020 A 18 PHE HBx H 1 3.109 0.020 A 18 PHE HD1 H 1 7.309 0.020 A 18 PHE HD2 H 1 7.309 0.020 A 18 PHE HE1 H 1 7.367 0.020 A 18 PHE HE2 H 1 7.367 0.020 A 18 PHE CA C 13 56.625 0.3 A 18 PHE CB C 13 35.901 0.3 A 18 PHE N N 15 119.572 0.3 A 19 CYS H H 1 7.894 0.020 A 19 CYS HA H 1 4.172 0.020 A 19 CYS HB2 H 1 3.048 0.020 A 19 CYS HB3 H 1 3.048 0.020 A 19 CYS CA C 13 57.371 0.3 A 19 CYS CB C 13 36.687 0.3 A 19 CYS N N 15 117.535 0.3 A 20 LYS H H 1 8.115 0.020 A 20 LYS HA H 1 4.458 0.020 A 20 LYS HBy H 1 2.044 0.020 A 20 LYS HBx H 1 1.649 0.020 A 20 LYS HD2 H 1 1.639 0.020 A 20 LYS HD3 H 1 1.639 0.020 A 20 LYS HE2 H 1 2.973 0.020 A 20 LYS HE3 H 1 2.973 0.020 A 20 LYS HGy H 1 1.383 0.020 A 20 LYS HGx H 1 1.301 0.020 A 20 LYS HZ1 H 1 7.474 0.020 A 20 LYS HZ2 H 1 7.474 0.020 A 20 LYS HZ3 H 1 7.474 0.020 A 20 LYS CA C 13 52.867 0.3 A 20 LYS CB C 13 29.268 0.3 A 20 LYS CD C 13 26.368 0.3 A 20 LYS CE C 13 39.468 0.3 A 20 LYS CG C 13 22.257 0.3 A 20 LYS N N 15 115.591 0.3 A 21 ASP H H 1 7.596 0.020 A 21 ASP HA H 1 4.559 0.020 A 21 ASP HB2 H 1 2.816 0.020 A 21 ASP HB3 H 1 2.816 0.020 A 21 ASP CA C 13 52.081 0.3 A 21 ASP CB C 13 38.455 0.3 A 21 ASP N N 15 121.881 0.3 A 22 SER H H 1 8.792 0.020 A 22 SER HA H 1 4.455 0.020 A 22 SER HBy H 1 4.012 0.020 A 22 SER HBx H 1 3.908 0.020 A 22 SER CA C 13 56.233 0.3 A 22 SER CB C 13 61.213 0.3 A 22 SER N N 15 120.435 0.3 A 23 GLY H H 1 8.466 0.020 A 23 GLY HAx H 1 3.985 0.020 A 23 GLY HAy H 1 4.272 0.020 A 23 GLY CA C 13 41.701 0.3 A 23 GLY N N 15 110.742 0.3 A 24 ARG H H 1 8.493 0.020 A 24 ARG HA H 1 3.889 0.020 A 24 ARG HB2 H 1 1.780 0.020 A 24 ARG HB3 H 1 1.780 0.020 A 24 ARG HD2 H 1 3.178 0.020 A 24 ARG HD3 H 1 3.178 0.020 A 24 ARG HE H 1 7.220 0.020 A 24 ARG HG2 H 1 1.634 0.020 A 24 ARG HG3 H 1 1.634 0.020 A 24 ARG CA C 13 54.760 0.3 A 24 ARG CD C 13 40.601 0.3 A 24 ARG CG C 13 24.281 0.3 A 24 ARG N N 15 119.286 0.3 A 25 ASN H H 1 8.788 0.020 A 25 ASN HA H 1 4.343 0.020 A 25 ASN HBy H 1 2.573 0.020 A 25 ASN HBx H 1 2.243 0.020 A 25 ASN CA C 13 53.132 0.3 A 25 ASN CB C 13 34.603 0.3 A 25 ASN N N 15 117.272 0.3 A 26 GLY H H 1 7.876 0.020 A 26 GLY HAy H 1 4.228 0.020 A 26 GLY HAx H 1 4.025 0.020 A 26 GLY CA C 13 44.495 0.3 A 26 GLY N N 15 109.133 0.3 A 27 VAL H H 1 7.706 0.020 A 27 VAL HA H 1 3.452 0.020 A 27 VAL HB H 1 2.004 0.020 A 27 VAL HG1% H 1 0.946 0.020 A 27 VAL HG2% H 1 0.874 0.020 A 27 VAL CA C 13 63.822 0.3 A 27 VAL CB C 13 29.230 0.3 A 27 VAL CG1 C 13 19.719 0.3 A 27 VAL CG2 C 13 18.132 0.3 A 27 VAL N N 15 121.229 0.3 A 28 LYS H H 1 7.570 0.020 A 28 LYS HA H 1 3.996 0.020 A 28 LYS HB2 H 1 1.784 0.020 A 28 LYS HB3 H 1 1.784 0.020 A 28 LYS HD2 H 1 1.285 0.020 A 28 LYS HD3 H 1 1.285 0.020 A 28 LYS HE2 H 1 2.799 0.020 A 28 LYS HE3 H 1 2.799 0.020 A 28 LYS HGy H 1 1.548 0.020 A 28 LYS HGx H 1 1.435 0.020 A 28 LYS HZ1 H 1 7.419 0.020 A 28 LYS HZ2 H 1 7.419 0.020 A 28 LYS HZ3 H 1 7.419 0.020 A 28 LYS CA C 13 56.538 0.3 A 28 LYS CB C 13 29.581 0.3 A 28 LYS CD C 13 26.542 0.3 A 28 LYS CE C 13 39.125 0.3 A 28 LYS CG C 13 22.196 0.3 A 28 LYS N N 15 118.992 0.3 A 29 LEU H H 1 7.988 0.020 A 29 LEU HA H 1 3.895 0.020 A 29 LEU HBy H 1 1.779 0.020 A 29 LEU HBx H 1 1.627 0.020 A 29 LEU HD1% H 1 0.854 0.020 A 29 LEU HD2% H 1 0.854 0.020 A 29 LEU HG H 1 1.715 0.020 A 29 LEU CA C 13 56.570 0.3 A 29 LEU CB C 13 38.736 0.3 A 29 LEU CD1 C 13 22.015 0.3 A 29 LEU CD2 C 13 22.883 0.3 A 29 LEU CG C 13 25.100 0.3 A 29 LEU N N 15 121.987 0.3 A 30 ARG H H 1 8.489 0.020 A 30 ARG HA H 1 3.637 0.020 A 30 ARG HBx H 1 1.590 0.020 A 30 ARG HBy H 1 1.903 0.020 A 30 ARG HDx H 1 3.091 0.020 A 30 ARG HDy H 1 3.550 0.020 A 30 ARG HE H 1 7.548 0.020 A 30 ARG HGy H 1 2.238 0.020 A 30 ARG HGx H 1 1.359 0.020 A 30 ARG CA C 13 57.969 0.3 A 30 ARG CB C 13 28.012 0.3 A 30 ARG CD C 13 41.157 0.3 A 30 ARG CG C 13 27.604 0.3 A 30 ARG N N 15 116.858 0.3 A 31 ALA H H 1 7.249 0.020 A 31 ALA HA H 1 4.193 0.020 A 31 ALA HB% H 1 1.424 0.020 A 31 ALA CA C 13 51.444 0.3 A 31 ALA CB C 13 16.069 0.3 A 31 ALA N N 15 116.693 0.3 A 32 ASN H H 1 7.780 0.020 A 32 ASN HA H 1 4.839 0.020 A 32 ASN HB2 H 1 2.776 0.020 A 32 ASN HB3 H 1 2.776 0.020 A 32 ASN CA C 13 52.348 0.3 A 32 ASN CB C 13 38.116 0.3 A 32 ASN N N 15 115.164 0.3 A 33 CYS H H 1 8.194 0.020 A 33 CYS HA H 1 5.463 0.020 A 33 CYS HBy H 1 3.051 0.020 A 33 CYS HBx H 1 2.987 0.020 A 33 CYS CA C 13 50.424 0.3 A 33 CYS CB C 13 35.893 0.3 A 33 CYS N N 15 121.327 0.3 A 34 LYS H H 1 8.935 0.020 A 34 LYS HA H 1 3.694 0.020 A 34 LYS HBy H 1 1.880 0.020 A 34 LYS HBx H 1 1.717 0.020 A 34 LYS HD2 H 1 1.740 0.020 A 34 LYS HD3 H 1 1.740 0.020 A 34 LYS HE2 H 1 3.084 0.020 A 34 LYS HE3 H 1 3.084 0.020 A 34 LYS HGy H 1 1.602 0.020 A 34 LYS HGx H 1 1.364 0.020 A 34 LYS CA C 13 59.162 0.3 A 34 LYS CB C 13 31.024 0.3 A 34 LYS CD C 13 27.221 0.3 A 34 LYS CE C 13 39.679 0.3 A 34 LYS CG C 13 24.133 0.3 A 34 LYS N N 15 121.201 0.3 A 35 LYS H H 1 7.471 0.020 A 35 LYS HA H 1 4.103 0.020 A 35 LYS HBx H 1 1.327 0.020 A 35 LYS HBy H 1 1.703 0.020 A 35 LYS HDy H 1 1.662 0.020 A 35 LYS HDx H 1 1.580 0.020 A 35 LYS HE2 H 1 2.939 0.020 A 35 LYS HE3 H 1 2.939 0.020 A 35 LYS HG2 H 1 1.292 0.020 A 35 LYS HG3 H 1 1.292 0.020 A 35 LYS HZ1 H 1 7.466 0.020 A 35 LYS HZ2 H 1 7.466 0.020 A 35 LYS HZ3 H 1 7.466 0.020 A 35 LYS CA C 13 56.315 0.3 A 35 LYS CB C 13 30.038 0.3 A 35 LYS CD C 13 26.423 0.3 A 35 LYS CE C 13 39.593 0.3 A 35 LYS CG C 13 22.191 0.3 A 35 LYS N N 15 116.997 0.3 A 36 THR H H 1 10.727 0.020 A 36 THR HA H 1 3.786 0.020 A 36 THR HB H 1 3.954 0.020 A 36 THR HG2% H 1 1.025 0.020 A 36 THR CA C 13 65.454 0.3 A 36 THR CB C 13 65.017 0.3 A 36 THR CG2 C 13 18.812 0.3 A 36 THR N N 15 125.069 0.3 A 37 CYS H H 1 8.615 0.020 A 37 CYS HA H 1 4.956 0.020 A 37 CYS HBy H 1 3.342 0.020 A 37 CYS HBx H 1 2.703 0.020 A 37 CYS CA C 13 52.837 0.3 A 37 CYS CB C 13 32.133 0.3 A 37 CYS N N 15 113.289 0.3 A 38 GLY H H 1 8.025 0.020 A 38 GLY HA2 H 1 4.037 0.020 A 38 GLY HA3 H 1 4.037 0.020 A 38 GLY CA C 13 44.374 0.3 A 38 GLY N N 15 110.197 0.3 A 39 LEU H H 1 8.603 0.020 A 39 LEU HA H 1 4.432 0.020 A 39 LEU HB2 H 1 1.700 0.020 A 39 LEU HB3 H 1 1.700 0.020 A 39 LEU HD1% H 1 0.907 0.020 A 39 LEU HD2% H 1 0.792 0.020 A 39 LEU HG H 1 1.413 0.020 A 39 LEU CA C 13 52.036 0.3 A 39 LEU CB C 13 39.035 0.3 A 39 LEU CD1 C 13 23.254 0.3 A 39 LEU CD2 C 13 20.045 0.3 A 39 LEU CG C 13 24.724 0.3 A 39 LEU N N 15 119.421 0.3 A 40 CYS H H 1 7.778 0.020 A 40 CYS HA H 1 4.332 0.020 A 40 CYS HBy H 1 3.266 0.020 A 40 CYS HBx H 1 3.083 0.020 A 40 CYS CA C 13 52.386 0.3 A 40 CYS CB C 13 36.583 0.3 A 40 CYS N N 15 121.378 0.3 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 lower-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 CYS HA A 34 LYS HBy 1.0 3.0 . 2 2 A 3 CYS HA A 34 LYS HBx 1.0 3.0 . 3 3 A 34 LYS HBy A 4 SER HA 1.0 3.0 . 4 4 A 4 SER HA A 35 LYS HBy 1.0 3.0 . 5 5 A 4 SER HA A 35 LYS HDy 1.0 3.0 . 6 6 A 4 SER HA A 35 LYS HDx 1.0 3.0 . 7 7 A 35 LYS HDx A 5 ASP HBy 1.0 3.0 . 8 8 A 5 ASP HBy A 35 LYS H 1.0 3.0 . 9 9 A 5 ASP HBy A 36 THR H 1.0 3.0 . 10 10 A 35 LYS HDx A 5 ASP HBx 1.0 3.0 . 11 11 A 6 ARG HD3 A 32 ASN HA 1.0 3.0 . 12 12 A 6 ARG HD3 A 34 LYS HGy 1.0 3.0 . 13 13 A 8 HIS HA A 8 HIS HD2 1.0 3.0 . 14 14 A 8 HIS HBy A 11 ILE HG1x 1.0 3.0 . 15 15 A 8 HIS HBx A 11 ILE HB 1.0 3.0 . 16 16 A 11 ILE HG1x A 8 HIS H 1.0 3.0 . 17 17 A 11 ILE HB A 9 GLY H 1.0 3.0 . 18 18 A 9 GLY H A 11 ILE HG1y 1.0 3.0 . 19 19 A 11 ILE HG1x A 9 GLY H 1.0 3.0 . 20 20 A 10 HIS HA A 10 HIS HD2 1.0 3.0 . 21 21 A 10 HIS HA A 13 GLU HBy 1.0 3.0 . 22 22 A 10 HIS HA A 13 GLU HBx 1.0 3.0 . 23 23 A 10 HIS HD2 A 14 SER HA 1.0 3.0 . 24 24 A 10 HIS HD2 A 14 SER HBx 1.0 3.0 . 25 25 A 13 GLU HBx A 10 HIS HE1 1.0 3.0 . 26 26 A 14 SER HA A 10 HIS HE1 1.0 3.0 . 27 27 A 10 HIS HE1 A 14 SER HBy 1.0 3.0 . 28 28 A 14 SER HBx A 10 HIS HE1 1.0 3.0 . 29 29 A 15 PHE HA A 18 PHE HBy 1.0 3.0 . 30 30 A 16 LYS HGx A 17 SER HB3 1.0 3.0 . 31 31 A 18 PHE HBx A 25 ASN HBy 1.0 3.0 . 32 32 A 19 CYS HB2 A 37 CYS HA 1.0 3.0 . 33 33 A 19 CYS HB3 A 30 ARG HGy 1.0 3.0 . 34 34 A 37 CYS HA A 19 CYS HB3 1.0 3.0 . 35 35 A 20 LYS HGx A 21 ASP H 1.0 3.0 . 36 36 A 24 ARG HG2 A 25 ASN HD2x 1.0 3.0 . 37 37 A 24 ARG HG3 A 25 ASN HA 1.0 3.0 . 38 38 A 25 ASN HD2x A 24 ARG HG3 1.0 3.0 . 39 39 A 25 ASN HA A 24 ARG HE 1.0 3.0 . 40 40 A 24 ARG HE A 25 ASN H 1.0 3.0 . 41 41 A 30 ARG HA A 37 CYS HBy 1.0 3.0 . 42 42 A 30 ARG HGy A 37 CYS HBy 1.0 3.0 . 43 43 A 37 CYS HBy A 30 ARG HDy 1.0 3.0 . 44 44 A 30 ARG HDy A 37 CYS HBx 1.0 3.0 . 45 45 A 30 ARG HDy A 39 LEU HG 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 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 3 CYS SG A 40 CYS SG 1.0 . 2.0 2 2 A 3 CYS SG A 40 CYS CB 1.0 . 3.0 3 3 A 40 CYS SG A 3 CYS CB 1.0 . 3.0 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 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 10 HIS H A 11 ILE HA 1.0 . 5.63 2 2 A 25 ASN HD2x A 25 ASN H 1.0 . 5.78 3 3 A 29 LEU H A 29 LEU HBx 1.0 . 3.28 4 4 A 29 LEU HBx A 26 GLY HAx 1.0 . 3.95 5 5 A 29 LEU HBx A 19 CYS HA 1.0 . 3.62 6 6 A 28 LYS HGx A 28 LYS HE2 1.0 . 4.18 7 6 A 28 LYS HGx A 28 LYS HE3 1.0 . 4.18 8 7 A 28 LYS HD3 A 28 LYS HE2 1.0 . 2.70 9 7 A 28 LYS HD2 A 28 LYS HE2 1.0 . 2.70 10 7 A 28 LYS HE3 A 28 LYS HD2 1.0 . 2.70 11 7 A 28 LYS HE3 A 28 LYS HD3 1.0 . 2.70 12 8 A 28 LYS HA A 28 LYS HE2 1.0 . 4.68 13 8 A 28 LYS HE3 A 28 LYS HA 1.0 . 4.68 14 9 A 28 LYS HB2 A 28 LYS HE2 1.0 . 3.84 15 9 A 28 LYS HB3 A 28 LYS HE2 1.0 . 3.84 16 9 A 28 LYS HE3 A 28 LYS HB2 1.0 . 3.84 17 9 A 28 LYS HE3 A 28 LYS HB3 1.0 . 3.84 18 10 A 1 ALA HB% A 2 ALA H 1.0 . 4.53 19 11 A 8 HIS H A 9 GLY H 1.0 . 3.75 20 12 A 8 HIS H A 11 ILE HG2% 1.0 . 5.15 21 13 A 39 LEU HD1% A 38 GLY HA2 1.0 . 4.58 22 13 A 38 GLY HA3 A 39 LEU HD1% 1.0 . 4.58 23 14 A 30 ARG HDy A 39 LEU HD1% 1.0 . 3.90 24 15 A 39 LEU HD1% A 30 ARG H 1.0 . 5.56 25 16 A 39 LEU HD1% A 30 ARG HE 1.0 . 4.80 26 17 A 39 LEU HD1% A 38 GLY H 1.0 . 5.74 27 18 A 30 ARG HGy A 39 LEU HD1% 1.0 . 4.28 28 19 A 37 CYS HBy A 39 LEU HD1% 1.0 . 3.48 29 20 A 39 LEU HD1% A 30 ARG HDx 1.0 . 3.53 30 21 A 39 LEU HD1% A 39 LEU H 1.0 . 4.09 31 22 A 30 ARG HA A 39 LEU HD1% 1.0 . 3.62 32 23 A 39 LEU HD1% A 34 LYS H 1.0 . 6.00 33 24 A 24 ARG HE A 24 ARG HB2 1.0 . 6.00 34 25 A 25 ASN HBx A 26 GLY H 1.0 . 4.30 35 26 A 25 ASN H A 25 ASN HBx 1.0 . 3.75 36 27 A 38 GLY H A 38 GLY HA2 1.0 . 2.72 37 27 A 38 GLY HA3 A 38 GLY H 1.0 . 2.72 38 28 A 13 GLU HG3 A 14 SER H 1.0 . 5.57 39 29 A 13 GLU HG3 A 13 GLU H 1.0 . 4.18 40 30 A 30 ARG HBx A 31 ALA H 1.0 . 3.73 41 31 A 30 ARG H A 30 ARG HBx 1.0 . 2.99 42 32 A 30 ARG HE A 30 ARG HBx 1.0 . 3.32 43 33 A 30 ARG HBx A 27 VAL HA 1.0 . 3.55 44 34 A 37 CYS HBx A 39 LEU HD1% 1.0 . 3.79 45 35 A 19 CYS HB3 A 37 CYS HBx 1.0 . 3.05 46 36 A 6 ARG H A 6 ARG HD2 1.0 . 4.17 47 37 A 6 ARG HD2 A 33 CYS HA 1.0 . 4.31 48 38 A 6 ARG HD2 A 6 ARG HB2 1.0 . 4.12 49 38 A 6 ARG HD2 A 6 ARG HB3 1.0 . 4.12 50 39 A 30 ARG H A 31 ALA H 1.0 . 3.22 51 40 A 28 LYS HA A 31 ALA H 1.0 . 4.04 52 41 A 31 ALA H A 30 ARG HBy 1.0 . 4.04 53 42 A 31 ALA H A 32 ASN H 1.0 . 2.99 54 43 A 31 ALA H A 33 CYS H 1.0 . 4.66 55 44 A 9 GLY H A 10 HIS H 1.0 . 4.06 56 45 A 8 HIS HBy A 9 GLY H 1.0 . 3.87 57 46 A 9 GLY H A 9 GLY HAx 1.0 . 2.94 58 47 A 8 HIS HBx A 9 GLY H 1.0 . 3.68 59 48 A 39 LEU HD1% A 39 LEU HB3 1.0 . 3.32 60 49 A 39 LEU H A 39 LEU HB3 1.0 . 3.74 61 50 A 12 CYS HBx A 33 CYS HBy 1.0 . 3.69 62 51 A 36 THR H A 12 CYS HBx 1.0 . 5.13 63 52 A 12 CYS HBx A 36 THR HA 1.0 . 4.66 64 53 A 12 CYS HBx A 36 THR HB 1.0 . 3.09 65 54 A 11 ILE HA A 15 PHE H 1.0 . 4.82 66 55 A 15 PHE H A 36 THR HG2% 1.0 . 4.83 67 56 A 15 PHE H A 13 GLU HA 1.0 . 4.53 68 57 A 14 SER H A 15 PHE H 1.0 . 3.12 69 58 A 13 GLU HBx A 14 SER H 1.0 . 3.60 70 59 A 30 ARG HDy A 30 ARG HBx 1.0 . 4.11 71 60 A 30 ARG HDy A 30 ARG H 1.0 . 5.46 72 61 A 30 ARG HDy A 30 ARG HBy 1.0 . 3.99 73 62 A 26 GLY H A 23 GLY HAx 1.0 . 4.39 74 63 A 26 GLY H A 23 GLY H 1.0 . 4.60 75 64 A 26 GLY H A 21 ASP HB2 1.0 . 3.69 76 64 A 26 GLY H A 21 ASP HB3 1.0 . 3.69 77 65 A 26 GLY H A 24 ARG HA 1.0 . 4.65 78 66 A 26 GLY H A 22 SER H 1.0 . 5.80 79 67 A 26 GLY H A 28 LYS H 1.0 . 4.10 80 68 A 26 GLY H A 27 VAL HG1% 1.0 . 4.56 81 69 A 34 LYS HGx A 34 LYS HE2 1.0 . 3.72 82 69 A 34 LYS HGx A 34 LYS HE3 1.0 . 3.72 83 70 A 34 LYS HGx A 34 LYS HA 1.0 . 3.29 84 71 A 34 LYS H A 34 LYS HGx 1.0 . 4.21 85 72 A 2 ALA H A 1 ALA HA 1.0 . 3.44 86 73 A 18 PHE H A 18 PHE HE% 1.0 . 6.00 87 74 A 31 ALA H A 32 ASN HB2 1.0 . 4.71 88 74 A 31 ALA H A 32 ASN HB3 1.0 . 4.71 89 75 A 31 ALA HB% A 32 ASN HB2 1.0 . 3.93 90 75 A 32 ASN HB3 A 31 ALA HB% 1.0 . 3.93 91 76 A 7 ALA H A 32 ASN HB2 1.0 . 3.43 92 76 A 32 ASN HB3 A 7 ALA H 1.0 . 3.43 93 77 A 32 ASN H A 32 ASN HB2 1.0 . 2.78 94 77 A 32 ASN H A 32 ASN HB3 1.0 . 2.78 95 78 A 33 CYS H A 32 ASN HB2 1.0 . 3.73 96 78 A 33 CYS H A 32 ASN HB3 1.0 . 3.73 97 79 A 29 LEU H A 28 LYS HGy 1.0 . 4.99 98 80 A 28 LYS HA A 28 LYS HGy 1.0 . 3.07 99 81 A 27 VAL HA A 28 LYS HGy 1.0 . 5.36 100 82 A 28 LYS H A 28 LYS HGy 1.0 . 3.77 101 83 A 20 LYS H A 20 LYS HBx 1.0 . 3.07 102 84 A 36 THR H A 35 LYS HG2 1.0 . 4.32 103 84 A 36 THR H A 35 LYS HG3 1.0 . 4.32 104 85 A 35 LYS HA A 35 LYS HG2 1.0 . 2.99 105 85 A 35 LYS HG3 A 35 LYS HA 1.0 . 2.99 106 86 A 39 LEU HD1% A 37 CYS H 1.0 . 5.15 107 87 A 37 CYS HBx A 37 CYS H 1.0 . 3.89 108 88 A 33 CYS HBy A 37 CYS H 1.0 . 4.82 109 89 A 36 THR H A 37 CYS H 1.0 . 3.45 110 90 A 38 GLY H A 37 CYS H 1.0 . 3.26 111 91 A 34 LYS HA A 37 CYS H 1.0 . 4.60 112 92 A 35 LYS H A 37 CYS H 1.0 . 4.67 113 93 A 37 CYS H A 33 CYS HBx 1.0 . 4.17 114 94 A 35 LYS HE2 A 35 LYS HG2 1.0 . 3.22 115 94 A 35 LYS HE3 A 35 LYS HG2 1.0 . 3.22 116 94 A 35 LYS HG3 A 35 LYS HE2 1.0 . 3.22 117 94 A 35 LYS HG3 A 35 LYS HE3 1.0 . 3.22 118 95 A 23 GLY HAx A 24 ARG H 1.0 . 2.89 119 96 A 10 HIS H A 11 ILE HD1% 1.0 . 5.35 120 97 A 8 HIS HD2 A 8 HIS H 1.0 . 5.26 121 98 A 26 GLY H A 27 VAL H 1.0 . 2.96 122 99 A 30 ARG H A 27 VAL H 1.0 . 5.29 123 100 A 27 VAL H A 27 VAL HG2% 1.0 . 3.95 124 101 A 28 LYS H A 27 VAL H 1.0 . 3.09 125 102 A 18 PHE HBx A 21 ASP H 1.0 . 5.14 126 103 A 18 PHE HBx A 18 PHE H 1.0 . 3.96 127 104 A 30 ARG H A 29 LEU HG 1.0 . 4.66 128 105 A 30 ARG H A 30 ARG HE 1.0 . 5.30 129 106 A 26 GLY HAx A 30 ARG H 1.0 . 4.54 130 107 A 30 ARG H A 30 ARG HBy 1.0 . 3.48 131 108 A 30 ARG H A 26 GLY HAy 1.0 . 5.33 132 109 A 30 ARG H A 30 ARG HDx 1.0 . 5.56 133 110 A 30 ARG H A 28 LYS H 1.0 . 4.83 134 111 A 30 ARG H A 32 ASN H 1.0 . 4.69 135 112 A 18 PHE HBy A 29 LEU HG 1.0 . 4.29 136 113 A 21 ASP H A 20 LYS HBx 1.0 . 4.53 137 114 A 21 ASP H A 20 LYS HGy 1.0 . 5.56 138 115 A 24 ARG HE A 24 ARG HB3 1.0 . 5.09 139 116 A 21 ASP H A 19 CYS HA 1.0 . 3.99 140 117 A 26 GLY HAy A 21 ASP HB2 1.0 . 3.27 141 117 A 21 ASP HB3 A 26 GLY HAy 1.0 . 3.27 142 118 A 22 SER H A 22 SER HBx 1.0 . 3.46 143 119 A 34 LYS HBy A 4 SER H 1.0 . 4.89 144 120 A 34 LYS HBy A 35 LYS H 1.0 . 3.74 145 121 A 34 LYS HBy A 34 LYS H 1.0 . 2.94 146 122 A 12 CYS HBx A 12 CYS H 1.0 . 3.65 147 123 A 36 THR HG2% A 12 CYS H 1.0 . 5.43 148 124 A 9 GLY HAx A 12 CYS H 1.0 . 5.76 149 125 A 14 SER H A 12 CYS H 1.0 . 5.02 150 126 A 13 GLU H A 12 CYS H 1.0 . 3.31 151 127 A 16 LYS HGx A 16 LYS HE2 1.0 . 4.07 152 127 A 16 LYS HGx A 16 LYS HE3 1.0 . 4.07 153 128 A 16 LYS HGx A 13 GLU HA 1.0 . 5.39 154 129 A 16 LYS HGx A 17 SER H 1.0 . 4.14 155 130 A 16 LYS HGx A 16 LYS H 1.0 . 3.49 156 131 A 30 ARG HE A 27 VAL HA 1.0 . 3.92 157 132 A 30 ARG HA A 30 ARG HE 1.0 . 5.98 158 133 A 30 ARG HE A 27 VAL HG1% 1.0 . 4.77 159 134 A 25 ASN HD2x A 25 ASN HA 1.0 . 6.00 160 135 A 25 ASN HA A 25 ASN HBx 1.0 . 2.98 161 136 A 25 ASN HA A 29 LEU H 1.0 . 4.95 162 137 A 25 ASN HA A 25 ASN HD2y 1.0 . 5.02 163 138 A 25 ASN HA A 28 LYS HB2 1.0 . 3.31 164 138 A 25 ASN HA A 28 LYS HB3 1.0 . 3.31 165 139 A 25 ASN HA A 28 LYS H 1.0 . 4.08 166 140 A 25 ASN HBy A 25 ASN HA 1.0 . 2.85 167 141 A 36 THR H A 33 CYS HBy 1.0 . 6.00 168 142 A 33 CYS HBy A 36 THR HB 1.0 . 3.89 169 143 A 33 CYS H A 33 CYS HBy 1.0 . 3.19 170 144 A 37 CYS HBx A 30 ARG HGx 1.0 . 3.94 171 145 A 30 ARG HDy A 30 ARG HGx 1.0 . 2.94 172 146 A 30 ARG H A 30 ARG HGx 1.0 . 3.87 173 147 A 33 CYS HA A 7 ALA HB% 1.0 . 5.62 174 148 A 30 ARG HA A 30 ARG HGx 1.0 . 2.93 175 149 A 33 CYS H A 7 ALA HB% 1.0 . 4.27 176 150 A 11 ILE HG1x A 11 ILE HA 1.0 . 3.45 177 151 A 11 ILE HG1x A 11 ILE H 1.0 . 3.64 178 152 A 32 ASN HD2x A 32 ASN HB2 1.0 . 3.61 179 152 A 32 ASN HB3 A 32 ASN HD2x 1.0 . 3.61 180 153 A 28 LYS HA A 32 ASN HD2x 1.0 . 5.05 181 154 A 32 ASN HA A 32 ASN HD2x 1.0 . 5.00 182 155 A 35 LYS HA A 35 LYS HE2 1.0 . 4.64 183 155 A 35 LYS HA A 35 LYS HE3 1.0 . 4.64 184 156 A 38 GLY H A 35 LYS HA 1.0 . 4.05 185 157 A 35 LYS HA A 40 CYS H 1.0 . 4.22 186 158 A 35 LYS HDy A 35 LYS HA 1.0 . 4.45 187 159 A 27 VAL H A 27 VAL HB 1.0 . 2.83 188 160 A 24 ARG HA A 27 VAL HB 1.0 . 3.19 189 161 A 28 LYS H A 27 VAL HB 1.0 . 3.04 190 162 A 28 LYS HGx A 32 ASN HD2x 1.0 . 5.94 191 163 A 28 LYS HGx A 28 LYS HA 1.0 . 3.92 192 164 A 28 LYS HGx A 32 ASN HD2y 1.0 . 4.62 193 165 A 38 GLY H A 36 THR HA 1.0 . 4.39 194 166 A 4 SER H A 4 SER HB2 1.0 . 3.96 195 167 A 28 LYS HGy A 28 LYS HD2 1.0 . 2.40 196 167 A 28 LYS HD3 A 28 LYS HGy 1.0 . 2.40 197 168 A 32 ASN HD2x A 28 LYS HD2 1.0 . 5.94 198 168 A 28 LYS HD3 A 32 ASN HD2x 1.0 . 5.94 199 169 A 28 LYS HGx A 28 LYS HD2 1.0 . 3.00 200 169 A 28 LYS HGx A 28 LYS HD3 1.0 . 3.00 201 170 A 6 ARG H A 32 ASN HB2 1.0 . 4.51 202 170 A 6 ARG H A 32 ASN HB3 1.0 . 4.51 203 171 A 6 ARG H A 6 ARG HA 1.0 . 2.85 204 172 A 6 ARG H A 5 ASP H 1.0 . 5.23 205 173 A 6 ARG H A 33 CYS HA 1.0 . 4.05 206 174 A 6 ARG HD3 A 6 ARG H 1.0 . 4.16 207 175 A 34 LYS H A 6 ARG H 1.0 . 4.10 208 176 A 24 ARG HG2 A 24 ARG HA 1.0 . 3.96 209 177 A 15 PHE HA A 15 PHE HE% 1.0 . 5.47 210 178 A 29 LEU H A 31 ALA H 1.0 . 4.67 211 179 A 29 LEU H A 32 ASN HB2 1.0 . 6.00 212 179 A 29 LEU H A 32 ASN HB3 1.0 . 6.00 213 180 A 29 LEU H A 30 ARG H 1.0 . 3.26 214 181 A 29 LEU H A 29 LEU HG 1.0 . 3.58 215 182 A 29 LEU H A 28 LYS HGx 1.0 . 5.41 216 183 A 29 LEU H A 26 GLY HAx 1.0 . 3.93 217 184 A 6 ARG HA A 6 ARG HE 1.0 . 6.00 218 185 A 31 ALA H A 31 ALA HB% 1.0 . 2.80 219 186 A 30 ARG H A 31 ALA HB% 1.0 . 4.64 220 187 A 31 ALA HB% A 32 ASN HD2x 1.0 . 3.97 221 188 A 32 ASN H A 31 ALA HB% 1.0 . 3.20 222 189 A 31 ALA HB% A 32 ASN HD2y 1.0 . 3.86 223 190 A 31 ALA HB% A 29 LEU HA 1.0 . 4.71 224 191 A 33 CYS H A 31 ALA HB% 1.0 . 4.86 225 192 A 6 ARG H A 6 ARG HGx 1.0 . 4.31 226 193 A 7 ALA H A 6 ARG HGx 1.0 . 4.27 227 194 A 10 HIS H A 10 HIS HBy 1.0 . 3.31 228 195 A 11 ILE H A 10 HIS HBy 1.0 . 4.58 229 196 A 3 CYS H A 3 CYS HBx 1.0 . 3.23 230 197 A 4 SER H A 3 CYS H 1.0 . 4.54 231 198 A 15 PHE H A 15 PHE HBx 1.0 . 3.72 232 199 A 15 PHE HBx A 18 PHE HD% 1.0 . 3.92 233 200 A 18 PHE HBy A 15 PHE HBx 1.0 . 3.61 234 201 A 15 PHE H A 16 LYS HA 1.0 . 5.27 235 202 A 16 LYS HA A 16 LYS HE2 1.0 . 4.64 236 202 A 16 LYS HE3 A 16 LYS HA 1.0 . 4.64 237 203 A 16 LYS HA A 19 CYS H 1.0 . 3.94 238 204 A 16 LYS HA A 16 LYS HGy 1.0 . 3.97 239 205 A 5 ASP HBx A 6 ARG H 1.0 . 4.33 240 206 A 23 GLY H A 22 SER HA 1.0 . 3.44 241 207 A 3 CYS H A 2 ALA HA 1.0 . 2.99 242 208 A 21 ASP H A 18 PHE HA 1.0 . 5.67 243 209 A 18 PHE HD% A 18 PHE HA 1.0 . 5.67 244 210 A 20 LYS HGx A 20 LYS HA 1.0 . 3.47 245 211 A 20 LYS HGy A 20 LYS HA 1.0 . 4.04 246 212 A 20 LYS HA A 20 LYS HE2 1.0 . 4.78 247 212 A 20 LYS HA A 20 LYS HE3 1.0 . 4.78 248 213 A 20 LYS HA A 20 LYS HD2 1.0 . 4.51 249 213 A 20 LYS HA A 20 LYS HD3 1.0 . 4.51 250 214 A 11 ILE HA A 11 ILE HG2% 1.0 . 3.24 251 215 A 10 HIS H A 11 ILE HG2% 1.0 . 5.99 252 216 A 11 ILE HG2% A 12 CYS H 1.0 . 3.61 253 217 A 11 ILE HG2% A 15 PHE HBy 1.0 . 4.62 254 218 A 11 ILE HG2% A 11 ILE H 1.0 . 3.68 255 219 A 11 ILE HG2% A 14 SER H 1.0 . 5.41 256 220 A 34 LYS HBx A 4 SER H 1.0 . 3.80 257 221 A 28 LYS HA A 30 ARG H 1.0 . 4.89 258 222 A 28 LYS HA A 28 LYS HD2 1.0 . 4.32 259 222 A 28 LYS HD3 A 28 LYS HA 1.0 . 4.32 260 223 A 23 GLY H A 22 SER HBx 1.0 . 5.22 261 224 A 23 GLY H A 22 SER HBy 1.0 . 4.66 262 225 A 23 GLY H A 27 VAL HG1% 1.0 . 4.78 263 226 A 10 HIS HD2 A 10 HIS H 1.0 . 5.37 264 227 A 10 HIS HA A 10 HIS HD2 1.0 . 6.00 265 228 A 39 LEU HD1% A 39 LEU HB2 1.0 . 3.17 266 229 A 39 LEU H A 39 LEU HB2 1.0 . 3.01 267 230 A 40 CYS H A 39 LEU HB2 1.0 . 4.03 268 231 A 24 ARG HB2 A 24 ARG HD2 1.0 . 3.96 269 231 A 24 ARG HB2 A 24 ARG HD3 1.0 . 3.96 270 232 A 24 ARG HB3 A 24 ARG HD2 1.0 . 3.65 271 232 A 24 ARG HB3 A 24 ARG HD3 1.0 . 3.65 272 233 A 37 CYS HBx A 38 GLY H 1.0 . 5.09 273 234 A 36 THR H A 38 GLY H 1.0 . 5.54 274 235 A 33 CYS HA A 7 ALA H 1.0 . 4.85 275 236 A 38 GLY H A 39 LEU HD2% 1.0 . 5.43 276 237 A 37 CYS HBy A 38 GLY H 1.0 . 4.50 277 238 A 38 GLY H A 36 THR HB 1.0 . 5.25 278 239 A 8 HIS HBy A 8 HIS H 1.0 . 3.12 279 240 A 30 ARG HGy A 30 ARG H 1.0 . 3.03 280 241 A 30 ARG HGy A 19 CYS HA 1.0 . 4.28 281 242 A 30 ARG HGy A 30 ARG HE 1.0 . 4.14 282 243 A 30 ARG HGy A 30 ARG HA 1.0 . 3.46 283 244 A 6 ARG HD2 A 6 ARG HA 1.0 . 5.36 284 245 A 7 ALA HA A 32 ASN HB2 1.0 . 4.57 285 245 A 32 ASN HB3 A 7 ALA HA 1.0 . 4.57 286 246 A 6 ARG HA A 6 ARG HGx 1.0 . 4.13 287 247 A 36 THR HG2% A 16 LYS HA 1.0 . 4.02 288 248 A 6 ARG HD3 A 6 ARG HA 1.0 . 4.74 289 249 A 6 ARG HA A 6 ARG HGy 1.0 . 3.49 290 250 A 6 ARG HA A 6 ARG HB2 1.0 . 2.95 291 250 A 6 ARG HB3 A 6 ARG HA 1.0 . 2.95 292 251 A 21 ASP H A 21 ASP HB2 1.0 . 2.68 293 251 A 21 ASP H A 21 ASP HB3 1.0 . 2.68 294 252 A 23 GLY H A 21 ASP HB2 1.0 . 4.13 295 252 A 23 GLY H A 21 ASP HB3 1.0 . 4.13 296 253 A 22 SER H A 21 ASP HB2 1.0 . 3.70 297 253 A 21 ASP HB3 A 22 SER H 1.0 . 3.70 298 254 A 20 LYS H A 21 ASP HB2 1.0 . 4.28 299 254 A 21 ASP HB3 A 20 LYS H 1.0 . 4.28 300 255 A 39 LEU HD1% A 39 LEU HA 1.0 . 4.22 301 256 A 39 LEU HD2% A 39 LEU HA 1.0 . 3.01 302 257 A 39 LEU HG A 39 LEU HA 1.0 . 4.00 303 258 A 12 CYS H A 12 CYS HBy 1.0 . 2.96 304 259 A 33 CYS HBx A 12 CYS HBy 1.0 . 3.76 305 260 A 13 GLU H A 12 CYS HBy 1.0 . 3.30 306 261 A 14 SER HBx A 15 PHE H 1.0 . 4.31 307 262 A 14 SER HBx A 14 SER H 1.0 . 3.60 308 263 A 16 LYS H A 16 LYS HE2 1.0 . 5.96 309 263 A 16 LYS HE3 A 16 LYS H 1.0 . 5.96 310 264 A 16 LYS HGy A 16 LYS HE2 1.0 . 3.86 311 264 A 16 LYS HE3 A 16 LYS HGy 1.0 . 3.86 312 265 A 16 LYS HB2 A 16 LYS HE2 1.0 . 4.26 313 265 A 16 LYS HB3 A 16 LYS HE2 1.0 . 4.26 314 265 A 16 LYS HE3 A 16 LYS HB2 1.0 . 4.26 315 265 A 16 LYS HE3 A 16 LYS HB3 1.0 . 4.26 316 266 A 13 GLU HBy A 14 SER H 1.0 . 3.57 317 267 A 13 GLU HBy A 13 GLU H 1.0 . 2.97 318 268 A 3 CYS HBx A 40 CYS HA 1.0 . 4.86 319 269 A 20 LYS HGx A 20 LYS H 1.0 . 3.72 320 270 A 34 LYS HGy A 34 LYS H 1.0 . 3.38 321 271 A 34 LYS HGy A 33 CYS H 1.0 . 4.59 322 272 A 18 PHE HD% A 21 ASP HB2 1.0 . 4.15 323 272 A 21 ASP HB3 A 18 PHE HD% 1.0 . 4.15 324 273 A 18 PHE H A 18 PHE HD% 1.0 . 3.96 325 274 A 32 ASN HA A 32 ASN HB2 1.0 . 2.97 326 274 A 32 ASN HA A 32 ASN HB3 1.0 . 2.97 327 275 A 32 ASN HA A 6 ARG H 1.0 . 3.88 328 276 A 32 ASN HA A 6 ARG HGx 1.0 . 3.83 329 277 A 32 ASN HA A 6 ARG HGy 1.0 . 4.04 330 278 A 32 ASN HA A 6 ARG HB2 1.0 . 3.74 331 278 A 32 ASN HA A 6 ARG HB3 1.0 . 3.74 332 279 A 32 ASN HA A 7 ALA H 1.0 . 5.18 333 280 A 34 LYS HBy A 34 LYS HE2 1.0 . 4.96 334 280 A 34 LYS HBy A 34 LYS HE3 1.0 . 4.96 335 281 A 34 LYS HD2 A 34 LYS HE2 1.0 . 2.93 336 281 A 34 LYS HD3 A 34 LYS HE2 1.0 . 2.93 337 281 A 34 LYS HE3 A 34 LYS HD2 1.0 . 2.93 338 281 A 34 LYS HE3 A 34 LYS HD3 1.0 . 2.93 339 282 A 35 LYS HBx A 35 LYS HG2 1.0 . 2.40 340 282 A 35 LYS HG3 A 35 LYS HBx 1.0 . 2.40 341 283 A 35 LYS HBx A 35 LYS HE2 1.0 . 4.83 342 283 A 35 LYS HE3 A 35 LYS HBx 1.0 . 4.83 343 284 A 36 THR H A 35 LYS HBx 1.0 . 4.07 344 285 A 35 LYS HA A 35 LYS HBx 1.0 . 2.94 345 286 A 5 ASP H A 35 LYS HBx 1.0 . 4.29 346 287 A 35 LYS H A 35 LYS HBx 1.0 . 3.06 347 288 A 28 LYS HA A 27 VAL HG2% 1.0 . 3.86 348 289 A 27 VAL HA A 27 VAL HG2% 1.0 . 3.05 349 290 A 28 LYS H A 27 VAL HG2% 1.0 . 3.82 350 291 A 35 LYS HDx A 35 LYS HBx 1.0 . 3.42 351 292 A 35 LYS HDx A 5 ASP H 1.0 . 5.12 352 293 A 35 LYS HDx A 35 LYS H 1.0 . 6.00 353 294 A 13 GLU HG3 A 36 THR HG2% 1.0 . 4.98 354 295 A 12 CYS HBx A 36 THR HG2% 1.0 . 3.19 355 296 A 36 THR HG2% A 37 CYS H 1.0 . 4.07 356 297 A 33 CYS HBy A 36 THR HG2% 1.0 . 4.27 357 298 A 36 THR H A 36 THR HG2% 1.0 . 4.40 358 299 A 36 THR HA A 36 THR HG2% 1.0 . 2.93 359 300 A 38 GLY H A 36 THR HG2% 1.0 . 5.82 360 301 A 36 THR HG2% A 12 CYS HBy 1.0 . 3.72 361 302 A 36 THR HG2% A 16 LYS HD2 1.0 . 3.55 362 302 A 36 THR HG2% A 16 LYS HD3 1.0 . 3.55 363 303 A 36 THR HG2% A 16 LYS HGy 1.0 . 3.92 364 304 A 36 THR HG2% A 33 CYS HBx 1.0 . 3.92 365 305 A 20 LYS HBx A 20 LYS HZ% 1.0 . 5.96 366 306 A 20 LYS HGy A 20 LYS HZ% 1.0 . 5.61 367 307 A 36 THR H A 5 ASP H 1.0 . 6.00 368 308 A 4 SER HB2 A 5 ASP H 1.0 . 3.46 369 309 A 4 SER H A 5 ASP H 1.0 . 4.64 370 310 A 35 LYS H A 5 ASP H 1.0 . 4.75 371 311 A 6 ARG HD3 A 5 ASP H 1.0 . 4.35 372 312 A 17 SER HB3 A 18 PHE H 1.0 . 4.45 373 313 A 18 PHE H A 16 LYS H 1.0 . 4.95 374 314 A 18 PHE H A 17 SER HB2 1.0 . 4.60 375 315 A 10 HIS H A 11 ILE H 1.0 . 3.19 376 316 A 12 CYS H A 11 ILE H 1.0 . 3.31 377 317 A 7 ALA HB% A 11 ILE H 1.0 . 4.46 378 318 A 14 SER H A 11 ILE H 1.0 . 5.48 379 319 A 30 ARG H A 29 LEU HBy 1.0 . 3.57 380 320 A 26 GLY HAx A 29 LEU HBy 1.0 . 3.67 381 321 A 19 CYS HA A 29 LEU HBy 1.0 . 3.88 382 322 A 29 LEU HA A 29 LEU HBy 1.0 . 3.01 383 323 A 24 ARG HA A 27 VAL H 1.0 . 3.89 384 324 A 24 ARG HE A 24 ARG HA 1.0 . 6.00 385 325 A 24 ARG HA A 24 ARG HD2 1.0 . 4.23 386 325 A 24 ARG HA A 24 ARG HD3 1.0 . 4.23 387 326 A 18 PHE HBx A 19 CYS H 1.0 . 4.82 388 327 A 21 ASP H A 19 CYS H 1.0 . 4.42 389 328 A 19 CYS HB3 A 19 CYS H 1.0 . 3.38 390 329 A 18 PHE H A 19 CYS H 1.0 . 3.02 391 330 A 18 PHE HBy A 19 CYS H 1.0 . 3.80 392 331 A 19 CYS HB2 A 19 CYS H 1.0 . 3.60 393 332 A 21 ASP H A 26 GLY HAx 1.0 . 4.53 394 333 A 22 SER H A 22 SER HBy 1.0 . 3.59 395 334 A 39 LEU HD1% A 34 LYS HA 1.0 . 3.68 396 335 A 36 THR H A 34 LYS HA 1.0 . 6.00 397 336 A 34 LYS HGy A 34 LYS HA 1.0 . 3.56 398 337 A 34 LYS HA A 34 LYS HE2 1.0 . 4.90 399 337 A 34 LYS HE3 A 34 LYS HA 1.0 . 4.90 400 338 A 34 LYS HA A 34 LYS HD2 1.0 . 3.42 401 338 A 34 LYS HA A 34 LYS HD3 1.0 . 3.42 402 339 A 37 CYS HBy A 34 LYS HA 1.0 . 3.54 403 340 A 34 LYS HBx A 34 LYS HA 1.0 . 2.98 404 341 A 33 CYS H A 34 LYS HA 1.0 . 5.34 405 342 A 3 CYS H A 3 CYS HBy 1.0 . 3.34 406 343 A 4 SER H A 3 CYS HBy 1.0 . 4.10 407 344 A 7 ALA HB% A 32 ASN HD2x 1.0 . 6.00 408 345 A 20 LYS H A 20 LYS HGy 1.0 . 3.43 409 346 A 16 LYS HGx A 16 LYS HD2 1.0 . 2.40 410 346 A 16 LYS HGx A 16 LYS HD3 1.0 . 2.40 411 347 A 17 SER H A 16 LYS HD2 1.0 . 5.38 412 347 A 17 SER H A 16 LYS HD3 1.0 . 5.38 413 348 A 13 GLU HG3 A 13 GLU HA 1.0 . 3.77 414 349 A 36 THR HG2% A 13 GLU HA 1.0 . 3.32 415 350 A 13 GLU HA A 13 GLU HG2 1.0 . 3.68 416 351 A 15 PHE H A 15 PHE HBy 1.0 . 2.89 417 352 A 18 PHE HD% A 15 PHE HBy 1.0 . 5.64 418 353 A 25 ASN H A 24 ARG HB2 1.0 . 3.95 419 354 A 25 ASN H A 26 GLY H 1.0 . 3.09 420 355 A 25 ASN H A 23 GLY HAx 1.0 . 4.41 421 356 A 25 ASN H A 27 VAL H 1.0 . 4.77 422 357 A 24 ARG HG2 A 25 ASN H 1.0 . 4.27 423 358 A 25 ASN H A 25 ASN HD2y 1.0 . 4.81 424 359 A 25 ASN H A 28 LYS H 1.0 . 5.79 425 360 A 24 ARG HG3 A 25 ASN H 1.0 . 4.51 426 361 A 33 CYS HA A 12 CYS HBx 1.0 . 4.48 427 362 A 33 CYS HA A 32 ASN HB2 1.0 . 4.70 428 362 A 33 CYS HA A 32 ASN HB3 1.0 . 4.70 429 363 A 36 THR H A 33 CYS HA 1.0 . 4.97 430 364 A 11 ILE HA A 11 ILE HD1% 1.0 . 3.67 431 365 A 8 HIS H A 11 ILE HD1% 1.0 . 4.15 432 366 A 11 ILE HD1% A 12 CYS H 1.0 . 5.20 433 367 A 8 HIS HBy A 11 ILE HD1% 1.0 . 5.93 434 368 A 11 ILE HD1% A 11 ILE H 1.0 . 4.36 435 369 A 11 ILE HD1% A 15 PHE HD% 1.0 . 3.69 436 370 A 14 SER H A 11 ILE HD1% 1.0 . 5.68 437 371 A 12 CYS HA A 29 LEU HD1% 1.0 . 4.34 438 371 A 12 CYS HA A 29 LEU HD2% 1.0 . 4.34 439 372 A 11 ILE HD1% A 32 ASN HD2y 1.0 . 5.76 440 373 A 35 LYS H A 35 LYS HG2 1.0 . 4.05 441 373 A 35 LYS H A 35 LYS HG3 1.0 . 4.05 442 374 A 35 LYS H A 35 LYS HE2 1.0 . 5.23 443 374 A 35 LYS H A 35 LYS HE3 1.0 . 5.23 444 375 A 35 LYS H A 36 THR H 1.0 . 3.06 445 376 A 35 LYS H A 36 THR HA 1.0 . 5.23 446 377 A 35 LYS H A 34 LYS HGy 1.0 . 4.64 447 378 A 35 LYS H A 33 CYS HA 1.0 . 4.39 448 379 A 31 ALA H A 27 VAL HA 1.0 . 5.05 449 380 A 30 ARG H A 27 VAL HA 1.0 . 4.26 450 381 A 29 LEU H A 27 VAL HA 1.0 . 5.72 451 382 A 27 VAL HA A 30 ARG HBy 1.0 . 4.83 452 383 A 27 VAL H A 28 LYS HB2 1.0 . 4.66 453 383 A 28 LYS HB3 A 27 VAL H 1.0 . 4.66 454 384 A 28 LYS HA A 28 LYS HB2 1.0 . 2.87 455 384 A 28 LYS HA A 28 LYS HB3 1.0 . 2.87 456 385 A 28 LYS H A 28 LYS HB2 1.0 . 2.70 457 385 A 28 LYS HB3 A 28 LYS H 1.0 . 2.70 458 386 A 32 ASN HD2y A 28 LYS HB2 1.0 . 4.50 459 386 A 28 LYS HB3 A 32 ASN HD2y 1.0 . 4.50 460 387 A 40 CYS H A 40 CYS HBy 1.0 . 3.37 461 388 A 4 SER HA A 35 LYS HG2 1.0 . 3.81 462 388 A 4 SER HA A 35 LYS HG3 1.0 . 3.81 463 389 A 4 SER HA A 3 CYS H 1.0 . 6.00 464 390 A 4 SER HA A 35 LYS HBx 1.0 . 3.37 465 391 A 4 SER HA A 35 LYS HDx 1.0 . 4.07 466 392 A 4 SER HA A 5 ASP H 1.0 . 2.77 467 393 A 4 SER HA A 35 LYS H 1.0 . 4.86 468 394 A 4 SER HA A 35 LYS HBy 1.0 . 3.83 469 395 A 4 SER HA A 35 LYS HDy 1.0 . 3.99 470 396 A 31 ALA HA A 34 LYS HD2 1.0 . 5.16 471 396 A 34 LYS HD3 A 31 ALA HA 1.0 . 5.16 472 397 A 34 LYS H A 34 LYS HD2 1.0 . 4.07 473 397 A 34 LYS H A 34 LYS HD3 1.0 . 4.07 474 398 A 39 LEU HD2% A 38 GLY HA2 1.0 . 5.24 475 398 A 38 GLY HA3 A 39 LEU HD2% 1.0 . 5.24 476 399 A 37 CYS HBx A 39 LEU HD2% 1.0 . 4.67 477 400 A 39 LEU HB3 A 39 LEU HD2% 1.0 . 3.52 478 401 A 30 ARG HDy A 39 LEU HD2% 1.0 . 5.11 479 402 A 39 LEU HB2 A 39 LEU HD2% 1.0 . 3.93 480 403 A 37 CYS HBy A 39 LEU HD2% 1.0 . 4.89 481 404 A 39 LEU H A 39 LEU HD2% 1.0 . 4.35 482 405 A 40 CYS H A 39 LEU HD2% 1.0 . 5.48 483 406 A 25 ASN H A 24 ARG HB3 1.0 . 3.90 484 407 A 17 SER H A 18 PHE HD% 1.0 . 4.54 485 408 A 17 SER HB3 A 17 SER H 1.0 . 3.48 486 409 A 18 PHE H A 17 SER H 1.0 . 3.18 487 410 A 17 SER H A 19 CYS H 1.0 . 4.90 488 411 A 8 HIS H A 7 ALA HB% 1.0 . 3.22 489 412 A 6 ARG HD2 A 7 ALA HB% 1.0 . 5.43 490 413 A 12 CYS H A 7 ALA HB% 1.0 . 4.01 491 414 A 6 ARG HD3 A 7 ALA HB% 1.0 . 5.58 492 415 A 7 ALA H A 7 ALA HB% 1.0 . 2.81 493 416 A 11 ILE HA A 15 PHE HD% 1.0 . 4.19 494 417 A 15 PHE H A 15 PHE HD% 1.0 . 4.00 495 418 A 11 ILE HG2% A 15 PHE HD% 1.0 . 3.71 496 419 A 14 SER HBx A 15 PHE HD% 1.0 . 4.39 497 420 A 15 PHE HA A 15 PHE HD% 1.0 . 5.01 498 421 A 18 PHE HBy A 15 PHE HD% 1.0 . 5.12 499 422 A 14 SER H A 15 PHE HD% 1.0 . 4.71 500 423 A 14 SER HBy A 15 PHE HD% 1.0 . 4.09 501 424 A 30 ARG HE A 30 ARG HBy 1.0 . 3.82 502 425 A 37 CYS HBy A 37 CYS H 1.0 . 2.85 503 426 A 6 ARG HD3 A 33 CYS HA 1.0 . 4.46 504 427 A 6 ARG HD3 A 6 ARG HB2 1.0 . 4.01 505 427 A 6 ARG HD3 A 6 ARG HB3 1.0 . 4.01 506 428 A 31 ALA HA A 34 LYS HE2 1.0 . 4.15 507 428 A 34 LYS HE3 A 31 ALA HA 1.0 . 4.15 508 429 A 10 HIS H A 9 GLY HAy 1.0 . 2.83 509 430 A 36 THR HB A 12 CYS HBy 1.0 . 3.74 510 431 A 11 ILE H A 9 GLY HAy 1.0 . 4.32 511 432 A 33 CYS HA A 36 THR HB 1.0 . 4.64 512 433 A 10 HIS H A 10 HIS HBx 1.0 . 3.76 513 434 A 11 ILE H A 10 HIS HBx 1.0 . 4.64 514 435 A 10 HIS H A 9 GLY HAx 1.0 . 3.51 515 436 A 15 PHE HA A 18 PHE HE% 1.0 . 4.96 516 437 A 36 THR H A 5 ASP HA 1.0 . 5.83 517 438 A 15 PHE HA A 17 SER H 1.0 . 4.14 518 439 A 15 PHE H A 16 LYS H 1.0 . 2.98 519 440 A 14 SER HA A 16 LYS H 1.0 . 4.58 520 441 A 16 LYS H A 15 PHE HBx 1.0 . 5.02 521 442 A 36 THR HG2% A 16 LYS H 1.0 . 4.42 522 443 A 16 LYS H A 16 LYS HD2 1.0 . 4.22 523 443 A 16 LYS H A 16 LYS HD3 1.0 . 4.22 524 444 A 13 GLU HA A 16 LYS H 1.0 . 4.01 525 445 A 16 LYS H A 15 PHE HBy 1.0 . 4.47 526 446 A 17 SER H A 16 LYS H 1.0 . 3.52 527 447 A 16 LYS H A 29 LEU HD1% 1.0 . 4.85 528 447 A 16 LYS H A 29 LEU HD2% 1.0 . 4.85 529 448 A 26 GLY H A 26 GLY HAy 1.0 . 2.79 530 449 A 27 VAL H A 26 GLY HAy 1.0 . 3.46 531 450 A 27 VAL HA A 26 GLY HAy 1.0 . 5.00 532 451 A 28 LYS H A 26 GLY HAy 1.0 . 5.16 533 452 A 6 ARG H A 5 ASP HA 1.0 . 2.76 534 453 A 33 CYS HA A 5 ASP HA 1.0 . 3.39 535 454 A 35 LYS H A 5 ASP HA 1.0 . 3.56 536 455 A 7 ALA H A 5 ASP HA 1.0 . 4.74 537 456 A 34 LYS H A 5 ASP HA 1.0 . 3.50 538 457 A 21 ASP H A 22 SER H 1.0 . 4.90 539 458 A 23 GLY H A 22 SER H 1.0 . 3.45 540 459 A 2 ALA H A 2 ALA HB% 1.0 . 3.59 541 460 A 3 CYS H A 2 ALA HB% 1.0 . 4.13 542 461 A 30 ARG HDx A 30 ARG HBx 1.0 . 4.23 543 462 A 30 ARG HE A 30 ARG HDx 1.0 . 2.84 544 463 A 30 ARG HDx A 39 LEU HD2% 1.0 . 4.36 545 464 A 30 ARG HDx A 30 ARG HBy 1.0 . 3.14 546 465 A 18 PHE HBy A 18 PHE H 1.0 . 2.90 547 466 A 21 ASP H A 20 LYS H 1.0 . 3.01 548 467 A 19 CYS HB3 A 20 LYS H 1.0 . 3.65 549 468 A 20 LYS H A 19 CYS H 1.0 . 3.40 550 469 A 20 LYS H A 20 LYS HD2 1.0 . 4.17 551 469 A 20 LYS H A 20 LYS HD3 1.0 . 4.17 552 470 A 29 LEU HBx A 29 LEU HD1% 1.0 . 3.34 553 470 A 29 LEU HBx A 29 LEU HD2% 1.0 . 3.34 554 471 A 18 PHE HBx A 29 LEU HD1% 1.0 . 3.51 555 471 A 18 PHE HBx A 29 LEU HD2% 1.0 . 3.51 556 472 A 30 ARG H A 29 LEU HD1% 1.0 . 4.65 557 472 A 30 ARG H A 29 LEU HD2% 1.0 . 4.65 558 473 A 21 ASP H A 29 LEU HD1% 1.0 . 5.34 559 473 A 21 ASP H A 29 LEU HD2% 1.0 . 5.34 560 474 A 33 CYS HBy A 29 LEU HD1% 1.0 . 3.66 561 474 A 33 CYS HBy A 29 LEU HD2% 1.0 . 3.66 562 475 A 32 ASN HD2x A 29 LEU HD1% 1.0 . 6.00 563 475 A 32 ASN HD2x A 29 LEU HD2% 1.0 . 6.00 564 476 A 29 LEU H A 29 LEU HD1% 1.0 . 3.88 565 476 A 29 LEU H A 29 LEU HD2% 1.0 . 3.88 566 477 A 15 PHE HBx A 29 LEU HD1% 1.0 . 3.17 567 477 A 15 PHE HBx A 29 LEU HD2% 1.0 . 3.17 568 478 A 26 GLY HAx A 29 LEU HD1% 1.0 . 4.28 569 478 A 26 GLY HAx A 29 LEU HD2% 1.0 . 4.28 570 479 A 29 LEU HBy A 29 LEU HD1% 1.0 . 3.50 571 479 A 29 LEU HBy A 29 LEU HD2% 1.0 . 3.50 572 480 A 19 CYS H A 29 LEU HD1% 1.0 . 4.04 573 480 A 19 CYS H A 29 LEU HD2% 1.0 . 4.04 574 481 A 15 PHE HBy A 29 LEU HD1% 1.0 . 3.01 575 481 A 15 PHE HBy A 29 LEU HD2% 1.0 . 3.01 576 482 A 25 ASN H A 29 LEU HD1% 1.0 . 6.00 577 482 A 25 ASN H A 29 LEU HD2% 1.0 . 6.00 578 483 A 17 SER H A 29 LEU HD1% 1.0 . 6.00 579 483 A 17 SER H A 29 LEU HD2% 1.0 . 6.00 580 484 A 26 GLY HAy A 29 LEU HD1% 1.0 . 3.47 581 484 A 26 GLY HAy A 29 LEU HD2% 1.0 . 3.47 582 485 A 18 PHE HBy A 29 LEU HD1% 1.0 . 3.21 583 485 A 18 PHE HBy A 29 LEU HD2% 1.0 . 3.21 584 486 A 32 ASN H A 29 LEU HD1% 1.0 . 4.81 585 486 A 32 ASN H A 29 LEU HD2% 1.0 . 4.81 586 487 A 29 LEU HA A 29 LEU HD1% 1.0 . 2.83 587 487 A 29 LEU HA A 29 LEU HD2% 1.0 . 2.83 588 488 A 33 CYS H A 29 LEU HD1% 1.0 . 4.74 589 488 A 33 CYS H A 29 LEU HD2% 1.0 . 4.74 590 489 A 20 LYS H A 20 LYS HE2 1.0 . 6.00 591 489 A 20 LYS H A 20 LYS HE3 1.0 . 6.00 592 490 A 37 CYS HA A 19 CYS HB3 1.0 . 3.89 593 491 A 19 CYS HB2 A 37 CYS HA 1.0 . 4.65 594 492 A 28 LYS H A 28 LYS HE2 1.0 . 6.00 595 492 A 28 LYS HE3 A 28 LYS H 1.0 . 6.00 596 493 A 28 LYS HGx A 28 LYS H 1.0 . 4.62 597 494 A 28 LYS H A 28 LYS HD2 1.0 . 4.72 598 494 A 28 LYS HD3 A 28 LYS H 1.0 . 4.72 599 495 A 29 LEU H A 28 LYS H 1.0 . 3.18 600 496 A 26 GLY HAx A 28 LYS H 1.0 . 4.60 601 497 A 24 ARG HA A 28 LYS H 1.0 . 4.50 602 498 A 25 ASN H A 23 GLY HAy 1.0 . 4.96 603 499 A 24 ARG H A 23 GLY HAy 1.0 . 3.14 604 500 A 10 HIS HA A 12 CYS H 1.0 . 4.42 605 501 A 10 HIS HA A 10 HIS HBx 1.0 . 2.98 606 502 A 10 HIS HA A 13 GLU H 1.0 . 4.27 607 503 A 10 HIS HE1 A 10 HIS HBy 1.0 . 5.16 608 504 A 35 LYS HBy A 35 LYS HZ% 1.0 . 5.32 609 505 A 37 CYS HBx A 39 LEU HG 1.0 . 3.87 610 506 A 39 LEU HG A 38 GLY H 1.0 . 5.16 611 507 A 37 CYS HBy A 39 LEU HG 1.0 . 3.66 612 508 A 39 LEU HG A 39 LEU H 1.0 . 3.23 613 509 A 39 LEU HG A 40 CYS H 1.0 . 5.04 614 510 A 8 HIS HBx A 8 HIS H 1.0 . 3.75 615 511 A 30 ARG HA A 30 ARG HDy 1.0 . 3.77 616 512 A 30 ARG HA A 33 CYS HBy 1.0 . 4.43 617 513 A 30 ARG HA A 37 CYS HBy 1.0 . 4.06 618 514 A 30 ARG HA A 30 ARG HDx 1.0 . 4.48 619 515 A 30 ARG HA A 32 ASN H 1.0 . 5.04 620 516 A 30 ARG HA A 33 CYS H 1.0 . 4.33 621 517 A 23 GLY H A 21 ASP HA 1.0 . 5.02 622 518 A 21 ASP HA A 21 ASP HB2 1.0 . 2.96 623 518 A 21 ASP HB3 A 21 ASP HA 1.0 . 2.96 624 519 A 22 SER H A 21 ASP HA 1.0 . 2.80 625 520 A 19 CYS HB2 A 20 LYS H 1.0 . 3.85 626 521 A 39 LEU H A 35 LYS HA 1.0 . 4.55 627 522 A 38 GLY H A 39 LEU H 1.0 . 3.08 628 523 A 39 LEU H A 34 LYS HA 1.0 . 4.54 629 524 A 39 LEU H A 40 CYS H 1.0 . 2.96 630 525 A 11 ILE HA A 14 SER H 1.0 . 3.97 631 526 A 14 SER H A 16 LYS H 1.0 . 4.95 632 527 A 14 SER H A 13 GLU HG2 1.0 . 5.65 633 528 A 15 PHE H A 12 CYS HA 1.0 . 4.04 634 529 A 11 ILE HG2% A 12 CYS HA 1.0 . 4.27 635 530 A 14 SER H A 12 CYS HA 1.0 . 4.82 636 531 A 14 SER HBy A 15 PHE H 1.0 . 3.76 637 532 A 14 SER HBy A 14 SER H 1.0 . 3.12 638 533 A 17 SER H A 16 LYS HGy 1.0 . 4.11 639 534 A 16 LYS H A 16 LYS HGy 1.0 . 4.75 640 535 A 40 CYS H A 40 CYS HBx 1.0 . 3.92 641 536 A 39 LEU HD1% A 40 CYS H 1.0 . 5.02 642 537 A 40 CYS H A 38 GLY HA2 1.0 . 4.01 643 537 A 38 GLY HA3 A 40 CYS H 1.0 . 4.01 644 538 A 39 LEU HB3 A 40 CYS H 1.0 . 4.15 645 539 A 25 ASN HBy A 26 GLY H 1.0 . 3.67 646 540 A 25 ASN HBy A 25 ASN H 1.0 . 3.02 647 541 A 25 ASN HBy A 25 ASN HD2y 1.0 . 3.41 648 542 A 34 LYS HBx A 34 LYS HGx 1.0 . 3.00 649 543 A 34 LYS HBx A 34 LYS HE2 1.0 . 3.48 650 543 A 34 LYS HBx A 34 LYS HE3 1.0 . 3.48 651 544 A 34 LYS HBx A 31 ALA HA 1.0 . 5.11 652 545 A 34 LYS HBx A 34 LYS H 1.0 . 3.54 653 546 A 12 CYS HBx A 33 CYS HBx 1.0 . 3.05 654 547 A 36 THR H A 33 CYS HBx 1.0 . 4.40 655 548 A 36 THR HB A 33 CYS HBx 1.0 . 2.88 656 549 A 34 LYS H A 33 CYS HBx 1.0 . 5.82 657 550 A 32 ASN H A 32 ASN HD2x 1.0 . 4.52 658 551 A 28 LYS HA A 32 ASN H 1.0 . 4.75 659 552 A 32 ASN H A 32 ASN HD2y 1.0 . 3.90 660 553 A 32 ASN H A 33 CYS H 1.0 . 2.87 661 554 A 11 ILE HG1y A 11 ILE HA 1.0 . 3.80 662 555 A 11 ILE HG1y A 10 HIS H 1.0 . 5.81 663 556 A 11 ILE HG1y A 12 CYS H 1.0 . 4.82 664 557 A 11 ILE HG1y A 11 ILE H 1.0 . 3.36 665 558 A 32 ASN HD2y A 32 ASN HB2 1.0 . 3.04 666 558 A 32 ASN HB3 A 32 ASN HD2y 1.0 . 3.04 667 559 A 28 LYS HA A 32 ASN HD2y 1.0 . 4.40 668 560 A 7 ALA HB% A 32 ASN HD2y 1.0 . 4.37 669 561 A 32 ASN HD2y A 29 LEU HA 1.0 . 5.09 670 562 A 35 LYS HBy A 35 LYS HG2 1.0 . 2.58 671 562 A 35 LYS HBy A 35 LYS HG3 1.0 . 2.58 672 563 A 35 LYS HBy A 36 THR H 1.0 . 3.03 673 564 A 35 LYS HBy A 5 ASP H 1.0 . 3.67 674 565 A 35 LYS HBy A 35 LYS H 1.0 . 2.83 675 566 A 27 VAL HG1% A 27 VAL H 1.0 . 2.84 676 567 A 24 ARG HA A 27 VAL HG1% 1.0 . 3.47 677 568 A 25 ASN H A 27 VAL HG1% 1.0 . 6.00 678 569 A 27 VAL HA A 27 VAL HG1% 1.0 . 2.93 679 570 A 28 LYS H A 27 VAL HG1% 1.0 . 4.12 680 571 A 27 VAL HG1% A 24 ARG H 1.0 . 5.48 681 572 A 36 THR HB A 37 CYS H 1.0 . 3.47 682 573 A 36 THR H A 36 THR HB 1.0 . 2.88 683 574 A 35 LYS H A 36 THR HB 1.0 . 5.28 684 575 A 4 SER H A 4 SER HB3 1.0 . 4.06 685 576 A 5 ASP H A 4 SER HB3 1.0 . 3.25 686 577 A 34 LYS HGx A 34 LYS HZ% 1.0 . 4.84 687 578 A 34 LYS HBy A 34 LYS HZ% 1.0 . 4.70 688 579 A 34 LYS HGy A 34 LYS HZ% 1.0 . 4.34 689 580 A 34 LYS HBx A 34 LYS HZ% 1.0 . 6.00 690 581 A 24 ARG HG3 A 24 ARG H 1.0 . 3.98 691 582 A 17 SER H A 17 SER HB2 1.0 . 3.30 692 583 A 35 LYS HDy A 35 LYS H 1.0 . 4.17 693 584 A 11 ILE HB A 10 HIS H 1.0 . 6.00 694 585 A 11 ILE HB A 12 CYS H 1.0 . 3.47 695 586 A 11 ILE HB A 11 ILE H 1.0 . 2.95 696 587 A 31 ALA H A 29 LEU HA 1.0 . 5.27 697 588 A 29 LEU HA A 32 ASN HB2 1.0 . 3.32 698 588 A 32 ASN HB3 A 29 LEU HA 1.0 . 3.32 699 589 A 29 LEU HG A 29 LEU HA 1.0 . 3.64 700 590 A 33 CYS HBy A 29 LEU HA 1.0 . 3.82 701 591 A 32 ASN H A 29 LEU HA 1.0 . 3.87 702 592 A 33 CYS H A 29 LEU HA 1.0 . 4.00 703 593 A 6 ARG HB2 A 32 ASN HB2 1.0 . 4.39 704 593 A 6 ARG HB3 A 32 ASN HB2 1.0 . 4.39 705 593 A 32 ASN HB3 A 6 ARG HB2 1.0 . 4.39 706 593 A 6 ARG HB3 A 32 ASN HB3 1.0 . 4.39 707 594 A 6 ARG H A 6 ARG HB2 1.0 . 2.98 708 594 A 6 ARG H A 6 ARG HB3 1.0 . 2.98 709 595 A 6 ARG HE A 6 ARG HB2 1.0 . 4.28 710 595 A 6 ARG HB3 A 6 ARG HE 1.0 . 4.28 711 596 A 7 ALA H A 6 ARG HB2 1.0 . 3.37 712 596 A 6 ARG HB3 A 7 ALA H 1.0 . 3.37 713 597 A 6 ARG HD2 A 7 ALA H 1.0 . 4.23 714 598 A 6 ARG HD3 A 7 ALA H 1.0 . 4.20 715 599 A 7 ALA H A 6 ARG HGy 1.0 . 4.49 716 600 A 24 ARG HG2 A 24 ARG H 1.0 . 3.59 717 601 A 24 ARG H A 24 ARG HD2 1.0 . 4.60 718 601 A 24 ARG H A 24 ARG HD3 1.0 . 4.60 719 602 A 25 ASN H A 24 ARG H 1.0 . 3.33 720 603 A 34 LYS H A 32 ASN HB2 1.0 . 6.00 721 603 A 34 LYS H A 32 ASN HB3 1.0 . 6.00 722 604 A 34 LYS H A 33 CYS HBy 1.0 . 5.55 723 605 A 36 THR H A 34 LYS H 1.0 . 5.98 724 606 A 5 ASP HBx A 34 LYS H 1.0 . 5.25 725 607 A 34 LYS H A 33 CYS HA 1.0 . 3.27 726 608 A 35 LYS H A 34 LYS H 1.0 . 3.48 727 609 A 34 LYS H A 32 ASN H 1.0 . 5.46 728 610 A 34 LYS H A 33 CYS H 1.0 . 3.47 729 611 A 3 CYS HA A 4 SER H 1.0 . 2.87 730 612 A 15 PHE H A 16 LYS HB2 1.0 . 4.61 731 612 A 15 PHE H A 16 LYS HB3 1.0 . 4.61 732 613 A 16 LYS HA A 16 LYS HB2 1.0 . 2.72 733 613 A 16 LYS HA A 16 LYS HB3 1.0 . 2.72 734 614 A 36 THR HG2% A 16 LYS HB2 1.0 . 3.06 735 614 A 36 THR HG2% A 16 LYS HB3 1.0 . 3.06 736 615 A 13 GLU HA A 16 LYS HB2 1.0 . 3.33 737 615 A 13 GLU HA A 16 LYS HB3 1.0 . 3.33 738 616 A 15 PHE HBy A 16 LYS HB2 1.0 . 6.00 739 616 A 15 PHE HBy A 16 LYS HB3 1.0 . 6.00 740 617 A 17 SER H A 16 LYS HB2 1.0 . 3.54 741 617 A 17 SER H A 16 LYS HB3 1.0 . 3.54 742 618 A 16 LYS H A 16 LYS HB2 1.0 . 2.74 743 618 A 16 LYS H A 16 LYS HB3 1.0 . 2.74 744 619 A 11 ILE HA A 13 GLU H 1.0 . 4.69 745 620 A 13 GLU H A 12 CYS HBx 1.0 . 3.97 746 621 A 13 GLU H A 15 PHE H 1.0 . 4.25 747 622 A 13 GLU HBx A 13 GLU H 1.0 . 3.29 748 623 A 13 GLU H A 36 THR HG2% 1.0 . 4.42 749 624 A 13 GLU H A 11 ILE H 1.0 . 4.99 750 625 A 13 GLU H A 9 GLY HAx 1.0 . 5.02 751 626 A 14 SER H A 13 GLU H 1.0 . 2.95 752 627 A 13 GLU H A 13 GLU HG2 1.0 . 4.18 753 628 A 5 ASP HBy A 6 ARG H 1.0 . 4.51 754 629 A 5 ASP HBy A 5 ASP H 1.0 . 2.94 755 630 A 33 CYS H A 33 CYS HBx 1.0 . 3.96 756 631 A 21 ASP H A 20 LYS HBy 1.0 . 5.15 757 632 A 20 LYS H A 20 LYS HBy 1.0 . 3.77 758 633 A 20 LYS HBy A 20 LYS HE2 1.0 . 5.59 759 633 A 20 LYS HE3 A 20 LYS HBy 1.0 . 5.59 760 634 A 18 PHE H A 15 PHE HBx 1.0 . 4.99 761 635 A 34 LYS H A 34 LYS HE2 1.0 . 6.00 762 635 A 34 LYS H A 34 LYS HE3 1.0 . 6.00 763 636 A 5 ASP HBy A 7 ALA H 1.0 . 4.69 764 637 A 32 ASN H A 34 LYS HGx 1.0 . 6.00 765 638 A 28 LYS HA A 27 VAL HG1% 1.0 . 6.00 766 639 A 26 GLY HAx A 27 VAL HG1% 1.0 . 6.00 767 640 A 7 ALA HB% A 32 ASN HB2 1.0 . 2.90 768 640 A 32 ASN HB3 A 7 ALA HB% 1.0 . 2.90 769 641 A 36 THR HA A 33 CYS HBx 1.0 . 4.39 770 642 A 37 CYS HA A 30 ARG HDx 1.0 . 5.09 771 643 A 12 CYS HBy A 16 LYS HB2 1.0 . 6.00 772 643 A 12 CYS HBy A 16 LYS HB3 1.0 . 6.00 773 644 A 6 ARG HD3 A 34 LYS HGx 1.0 . 5.52 774 645 A 6 ARG HD2 A 34 LYS HGx 1.0 . 5.63 775 646 A 5 ASP HBx A 33 CYS HA 1.0 . 4.54 776 647 A 8 HIS HBx A 11 ILE HD1% 1.0 . 4.49 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type lower-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 8 HIS H A 7 ALA H 1.0 2.95 . 2 2 A 6 ARG H A 7 ALA H 1.0 0.00 . 3 3 A 6 ARG H A 6 ARG HA 1.0 2.52 . 4 4 A 8 HIS H A 7 ALA HA 1.0 0.00 . 5 5 A 19 CYS HA A 21 ASP HB2 1.0 3.40 . 6 5 A 19 CYS HA A 21 ASP HB3 1.0 3.40 . 7 6 A 26 GLY HAy A 21 ASP HB2 1.0 0.00 . 8 6 A 21 ASP HB3 A 26 GLY HAy 1.0 0.00 . 9 7 A 11 ILE HD1% A 16 LYS HA 1.0 4.00 . 10 8 A 16 LYS HA A 29 LEU HD1% 1.0 0.00 . 11 8 A 16 LYS HA A 29 LEU HD2% 1.0 0.00 . 12 9 A 5 ASP HBx A 5 ASP H 1.0 3.90 . 13 10 A 6 ARG HD3 A 5 ASP H 1.0 0.00 . 14 11 A 6 ARG HD2 A 5 ASP H 1.0 0.00 . 15 12 A 22 SER HBy A 21 ASP HB2 1.0 3.43 . 16 12 A 21 ASP HB3 A 22 SER HBy 1.0 3.43 . 17 13 A 26 GLY HAx A 21 ASP HB2 1.0 0.00 . 18 13 A 26 GLY HAx A 21 ASP HB3 1.0 0.00 . 19 14 A 29 LEU H A 29 LEU HBy 1.0 2.67 . 20 15 A 29 LEU H A 28 LYS HB2 1.0 0.00 . 21 15 A 29 LEU H A 28 LYS HB3 1.0 0.00 . 22 16 A 30 ARG H A 30 ARG HBy 1.0 3.20 . 23 17 A 29 LEU HBx A 30 ARG H 1.0 0.00 . 24 18 A 34 LYS HBx A 34 LYS HA 1.0 2.74 . 25 19 A 34 LYS HA A 34 LYS HD2 1.0 0.00 . 26 19 A 34 LYS HA A 34 LYS HD3 1.0 0.00 . 27 20 A 37 CYS HBx A 37 CYS H 1.0 3.13 . 28 21 A 8 HIS HBx A 9 GLY H 1.0 0.00 . 29 22 A 19 CYS HB2 A 19 CYS H 1.0 2.95 . 30 23 A 18 PHE HBy A 19 CYS H 1.0 0.00 . 31 24 A 37 CYS H A 33 CYS HBx 1.0 4.26 . 32 25 A 19 CYS HB3 A 37 CYS H 1.0 0.00 . 33 26 A 30 ARG HDx A 30 ARG HBx 1.0 3.83 . 34 27 A 19 CYS HB2 A 30 ARG HBx 1.0 0.00 . 35 28 A 16 LYS HA A 16 LYS HD2 1.0 3.73 . 36 28 A 16 LYS HA A 16 LYS HD3 1.0 3.73 . 37 29 A 6 ARG HA A 6 ARG HGx 1.0 0.00 . 38 30 A 24 ARG H A 24 ARG HB3 1.0 2.76 . 39 31 A 24 ARG HB2 A 24 ARG H 1.0 0.00 . 40 32 A 6 ARG H A 6 ARG HGy 1.0 0.00 . 41 33 A 24 ARG H A 24 ARG HB3 1.0 2.90 . 42 34 A 24 ARG HB2 A 24 ARG H 1.0 0.00 . 43 35 A 6 ARG HD3 A 7 ALA H 1.0 3.59 . 44 36 A 6 ARG HD2 A 7 ALA H 1.0 0.00 . 45 37 A 35 LYS HDy A 35 LYS H 1.0 2.98 . 46 38 A 35 LYS HBy A 35 LYS H 1.0 0.00 . 47 39 A 34 LYS HBx A 34 LYS H 1.0 3.43 . 48 40 A 34 LYS H A 34 LYS HD2 1.0 0.00 . 49 40 A 34 LYS H A 34 LYS HD3 1.0 0.00 . 50 41 A 33 CYS HBx A 29 LEU HD1% 1.0 3.72 . 51 41 A 33 CYS HBx A 29 LEU HD2% 1.0 3.72 . 52 42 A 19 CYS HB3 A 29 LEU HD1% 1.0 0.00 . 53 42 A 19 CYS HB3 A 29 LEU HD2% 1.0 0.00 . 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 6 ARG H A 32 ASN O 1.0 . 1.8 2 2 A 32 ASN O A 6 ARG N 1.0 . 2.7 3 3 A 6 ARG H A 32 ASN O 1.0 . 1.8 4 4 A 32 ASN O A 6 ARG N 1.0 . 2.7 5 5 A 14 SER H A 10 HIS O 1.0 . 1.8 6 6 A 10 HIS O A 14 SER N 1.0 . 2.7 7 7 A 15 PHE H A 11 ILE O 1.0 . 1.8 8 8 A 11 ILE O A 15 PHE N 1.0 . 2.7 9 9 A 16 LYS H A 13 GLU O 1.0 . 1.8 10 10 A 13 GLU O A 16 LYS N 1.0 . 2.7 11 11 A 18 PHE H A 15 PHE O 1.0 . 1.8 12 12 A 15 PHE O A 18 PHE N 1.0 . 2.7 13 13 A 19 CYS H A 16 LYS O 1.0 . 1.8 14 14 A 16 LYS O A 19 CYS N 1.0 . 2.7 15 15 A 21 ASP H A 18 PHE O 1.0 . 1.8 16 16 A 18 PHE O A 21 ASP N 1.0 . 2.7 17 17 A 27 VAL H A 23 GLY O 1.0 . 1.8 18 18 A 23 GLY O A 27 VAL N 1.0 . 2.7 19 19 A 28 LYS H A 24 ARG O 1.0 . 1.8 20 20 A 24 ARG O A 28 LYS N 1.0 . 2.7 21 21 A 29 LEU H A 25 ASN O 1.0 . 1.8 22 22 A 25 ASN O A 29 LEU N 1.0 . 2.7 23 23 A 30 ARG H A 26 GLY O 1.0 . 1.8 24 24 A 26 GLY O A 30 ARG N 1.0 . 2.7 25 25 A 31 ALA H A 27 VAL O 1.0 . 1.8 26 26 A 27 VAL O A 31 ALA N 1.0 . 2.7 27 27 A 32 ASN H A 28 LYS O 1.0 . 1.8 28 28 A 28 LYS O A 32 ASN N 1.0 . 2.7 29 29 A 33 CYS H A 29 LEU O 1.0 . 1.8 30 30 A 29 LEU O A 33 CYS N 1.0 . 2.7 31 31 A 36 THR H A 5 ASP OD1 1.0 . 1.8 32 32 A 5 ASP OD1 A 36 THR N 1.0 . 2.7 33 33 A 37 CYS H A 33 CYS O 1.0 . 1.8 34 34 A 33 CYS O A 37 CYS N 1.0 . 2.7 35 35 A 38 GLY H A 35 LYS O 1.0 . 1.8 36 36 A 35 LYS O A 38 GLY N 1.0 . 2.7 37 37 A 39 LEU H A 34 LYS O 1.0 . 1.8 38 38 A 34 LYS O A 39 LEU N 1.0 . 2.7 39 39 A 12 CYS SG A 33 CYS SG 1.0 . 2.0 40 40 A 12 CYS SG A 33 CYS CB 1.0 . 3.0 41 41 A 33 CYS SG A 12 CYS CB 1.0 . 3.0 42 42 A 19 CYS SG A 37 CYS SG 1.0 . 2.0 43 43 A 19 CYS SG A 37 CYS CB 1.0 . 3.0 44 44 A 37 CYS SG A 19 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_8 _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 6 ARG H A 32 ASN O 1.0 . 2.3 2 2 A 32 ASN O A 6 ARG N 1.0 . 3.3 3 3 A 14 SER H A 10 HIS O 1.0 . 2.3 4 4 A 10 HIS O A 14 SER N 1.0 . 3.3 5 5 A 15 PHE H A 11 ILE O 1.0 . 2.3 6 6 A 11 ILE O A 15 PHE N 1.0 . 3.3 7 7 A 16 LYS H A 13 GLU O 1.0 . 2.3 8 8 A 13 GLU O A 16 LYS N 1.0 . 3.3 9 9 A 18 PHE H A 15 PHE O 1.0 . 2.3 10 10 A 15 PHE O A 18 PHE N 1.0 . 3.3 11 11 A 19 CYS H A 16 LYS O 1.0 . 2.3 12 12 A 16 LYS O A 19 CYS N 1.0 . 3.3 13 13 A 21 ASP H A 18 PHE O 1.0 . 2.3 14 14 A 18 PHE O A 21 ASP N 1.0 . 3.3 15 15 A 27 VAL H A 23 GLY O 1.0 . 2.3 16 16 A 23 GLY O A 27 VAL N 1.0 . 3.3 17 17 A 28 LYS H A 24 ARG O 1.0 . 2.3 18 18 A 24 ARG O A 28 LYS N 1.0 . 3.3 19 19 A 29 LEU H A 25 ASN O 1.0 . 2.3 20 20 A 25 ASN O A 29 LEU N 1.0 . 3.3 21 21 A 30 ARG H A 26 GLY O 1.0 . 2.3 22 22 A 26 GLY O A 30 ARG N 1.0 . 3.3 23 23 A 31 ALA H A 27 VAL O 1.0 . 2.3 24 24 A 27 VAL O A 31 ALA N 1.0 . 3.3 25 25 A 32 ASN H A 28 LYS O 1.0 . 2.3 26 26 A 28 LYS O A 32 ASN N 1.0 . 3.3 27 27 A 33 CYS H A 29 LEU O 1.0 . 2.3 28 28 A 29 LEU O A 33 CYS N 1.0 . 3.3 29 29 A 36 THR H A 5 ASP OD1 1.0 . 2.3 30 30 A 5 ASP OD1 A 36 THR N 1.0 . 3.3 31 31 A 37 CYS H A 33 CYS O 1.0 . 2.3 32 32 A 33 CYS O A 37 CYS N 1.0 . 3.3 33 33 A 38 GLY H A 35 LYS O 1.0 . 2.3 34 34 A 35 LYS O A 38 GLY N 1.0 . 3.3 35 35 A 39 LEU H A 34 LYS O 1.0 . 2.3 36 36 A 34 LYS O A 39 LEU N 1.0 . 3.3 37 37 A 3 CYS SG A 40 CYS SG 1.0 . 2.1 38 38 A 3 CYS SG A 40 CYS CB 1.0 . 3.1 39 39 A 40 CYS SG A 3 CYS CB 1.0 . 3.1 40 40 A 12 CYS SG A 33 CYS SG 1.0 . 2.1 41 41 A 12 CYS SG A 33 CYS CB 1.0 . 3.1 42 42 A 33 CYS SG A 12 CYS CB 1.0 . 3.1 43 43 A 19 CYS SG A 37 CYS SG 1.0 . 2.1 44 44 A 19 CYS SG A 37 CYS CB 1.0 . 3.1 45 45 A 37 CYS SG A 19 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_distance_constraints_10 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_10 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type lower-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 6 ARG H A 32 ASN O 1.0 1.8 . 2 2 A 32 ASN O A 6 ARG N 1.0 2.7 . 3 3 A 14 SER H A 10 HIS O 1.0 1.8 . 4 4 A 10 HIS O A 14 SER N 1.0 2.7 . 5 5 A 15 PHE H A 11 ILE O 1.0 1.8 . 6 6 A 11 ILE O A 15 PHE N 1.0 2.7 . 7 7 A 16 LYS H A 13 GLU O 1.0 1.8 . 8 8 A 13 GLU O A 16 LYS N 1.0 2.7 . 9 9 A 18 PHE H A 15 PHE O 1.0 1.8 . 10 10 A 15 PHE O A 18 PHE N 1.0 2.7 . 11 11 A 19 CYS H A 16 LYS O 1.0 1.8 . 12 12 A 16 LYS O A 19 CYS N 1.0 2.7 . 13 13 A 21 ASP H A 18 PHE O 1.0 1.8 . 14 14 A 18 PHE O A 21 ASP N 1.0 2.7 . 15 15 A 27 VAL H A 23 GLY O 1.0 1.8 . 16 16 A 23 GLY O A 27 VAL N 1.0 2.7 . 17 17 A 28 LYS H A 24 ARG O 1.0 1.8 . 18 18 A 24 ARG O A 28 LYS N 1.0 2.7 . 19 19 A 29 LEU H A 25 ASN O 1.0 1.8 . 20 20 A 25 ASN O A 29 LEU N 1.0 2.7 . 21 21 A 30 ARG H A 26 GLY O 1.0 1.8 . 22 22 A 26 GLY O A 30 ARG N 1.0 2.7 . 23 23 A 31 ALA H A 27 VAL O 1.0 1.8 . 24 24 A 27 VAL O A 31 ALA N 1.0 2.7 . 25 25 A 32 ASN H A 28 LYS O 1.0 1.8 . 26 26 A 28 LYS O A 32 ASN N 1.0 2.7 . 27 27 A 33 CYS H A 29 LEU O 1.0 1.8 . 28 28 A 29 LEU O A 33 CYS N 1.0 2.7 . 29 29 A 36 THR H A 5 ASP OD1 1.0 1.8 . 30 30 A 5 ASP OD1 A 36 THR N 1.0 2.7 . 31 31 A 37 CYS H A 33 CYS O 1.0 1.8 . 32 32 A 33 CYS O A 37 CYS N 1.0 2.7 . 33 33 A 38 GLY H A 35 LYS O 1.0 1.8 . 34 34 A 35 LYS O A 38 GLY N 1.0 2.7 . 35 35 A 39 LEU H A 34 LYS O 1.0 1.8 . 36 36 A 34 LYS O A 39 LEU N 1.0 2.7 . 37 37 A 6 ARG H A 32 ASN O 1.0 2.3 . 38 38 A 32 ASN O A 6 ARG N 1.0 3.3 . 39 39 A 14 SER H A 10 HIS O 1.0 2.3 . 40 40 A 10 HIS O A 14 SER N 1.0 3.3 . 41 41 A 15 PHE H A 11 ILE O 1.0 2.3 . 42 42 A 11 ILE O A 15 PHE N 1.0 3.3 . 43 43 A 16 LYS H A 13 GLU O 1.0 2.3 . 44 44 A 13 GLU O A 16 LYS N 1.0 3.3 . 45 45 A 18 PHE H A 15 PHE O 1.0 2.3 . 46 46 A 15 PHE O A 18 PHE N 1.0 3.3 . 47 47 A 19 CYS H A 16 LYS O 1.0 2.3 . 48 48 A 16 LYS O A 19 CYS N 1.0 3.3 . 49 49 A 21 ASP H A 18 PHE O 1.0 2.3 . 50 50 A 18 PHE O A 21 ASP N 1.0 3.3 . 51 51 A 27 VAL H A 23 GLY O 1.0 2.3 . 52 52 A 23 GLY O A 27 VAL N 1.0 3.3 . 53 53 A 28 LYS H A 24 ARG O 1.0 2.3 . 54 54 A 24 ARG O A 28 LYS N 1.0 3.3 . 55 55 A 29 LEU H A 25 ASN O 1.0 2.3 . 56 56 A 25 ASN O A 29 LEU N 1.0 3.3 . 57 57 A 30 ARG H A 26 GLY O 1.0 2.3 . 58 58 A 26 GLY O A 30 ARG N 1.0 3.3 . 59 59 A 31 ALA H A 27 VAL O 1.0 2.3 . 60 60 A 27 VAL O A 31 ALA N 1.0 3.3 . 61 61 A 32 ASN H A 28 LYS O 1.0 2.3 . 62 62 A 28 LYS O A 32 ASN N 1.0 3.3 . 63 63 A 33 CYS H A 29 LEU O 1.0 2.3 . 64 64 A 29 LEU O A 33 CYS N 1.0 3.3 . 65 65 A 36 THR H A 5 ASP OD1 1.0 2.3 . 66 66 A 5 ASP OD1 A 36 THR N 1.0 3.3 . 67 67 A 37 CYS H A 33 CYS O 1.0 2.3 . 68 68 A 33 CYS O A 37 CYS N 1.0 3.3 . 69 69 A 38 GLY H A 35 LYS O 1.0 2.3 . 70 70 A 35 LYS O A 38 GLY N 1.0 3.3 . 71 71 A 39 LEU H A 34 LYS O 1.0 2.3 . 72 72 A 34 LYS O A 39 LEU N 1.0 3.3 . 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 ALA C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -80.0 -40.0 PHI 2 2 A 2 ALA C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -150.0 -90.0 PHI 3 3 A 3 CYS C A 4 SER N A 4 SER CA A 4 SER C 1.0 -180.0 -70.0 PHI 4 4 A 3 CYS C A 4 SER N A 4 SER CA A 4 SER C 1.0 -100.0 220.0 PHI 5 5 A 4 SER C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -180.0 -70.0 PHI 6 6 A 4 SER C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -100.0 220.0 PHI 7 7 A 5 ASP C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -150.0 -90.0 PHI 8 8 A 6 ARG C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -80.0 -40.0 PHI 9 9 A 7 ALA C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -80.0 -40.0 PHI 10 10 A 9 GLY C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -180.0 -70.0 PHI 11 11 A 9 GLY C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -100.0 220.0 PHI 12 12 A 10 HIS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -80.0 -40.0 PHI 13 13 A 11 ILE C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -80.0 -40.0 PHI 14 14 A 12 CYS C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -80.0 -40.0 PHI 15 15 A 13 GLU C A 14 SER N A 14 SER CA A 14 SER C 1.0 -80.0 -40.0 PHI 16 16 A 14 SER C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -150.0 -90.0 PHI 17 17 A 15 PHE C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -80.0 -40.0 PHI 18 18 A 16 LYS C A 17 SER N A 17 SER CA A 17 SER C 1.0 -80.0 -40.0 PHI 19 19 A 17 SER C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -150.0 -90.0 PHI 20 20 A 18 PHE C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -80.0 -40.0 PHI 21 21 A 19 CYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -150.0 -90.0 PHI 22 22 A 20 LYS C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -80.0 -40.0 PHI 23 23 A 21 ASP C A 22 SER N A 22 SER CA A 22 SER C 1.0 -80.0 -40.0 PHI 24 24 A 23 GLY C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -80.0 -40.0 PHI 25 25 A 24 ARG C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -80.0 -40.0 PHI 26 26 A 26 GLY C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -80.0 -40.0 PHI 27 27 A 27 VAL C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -80.0 -40.0 PHI 28 28 A 28 LYS C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -80.0 -40.0 PHI 29 29 A 29 LEU C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -80.0 -40.0 PHI 30 30 A 30 ARG C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -180.0 -60.0 PHI 31 31 A 30 ARG C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -100.0 220.0 PHI 32 32 A 31 ALA C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -180.0 -70.0 PHI 33 33 A 31 ALA C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -100.0 220.0 PHI 34 34 A 32 ASN C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -150.0 -90.0 PHI 35 35 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -80.0 -40.0 PHI 36 36 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -180.0 -70.0 PHI 37 37 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -100.0 220.0 PHI 38 38 A 35 LYS C A 36 THR N A 36 THR CA A 36 THR C 1.0 -80.0 -40.0 PHI 39 39 A 36 THR C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -180.0 -70.0 PHI 40 40 A 36 THR C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -100.0 220.0 PHI 41 41 A 38 GLY C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -150.0 -90.0 PHI 42 42 A 39 LEU C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -180.0 -70.0 PHI 43 43 A 39 LEU C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -100.0 220.0 PHI 44 44 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 CYS N 1.0 -60.0 -20.0 PSI 45 45 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 GLU N 1.0 -60.0 -20.0 PSI 46 46 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 SER N 1.0 -60.0 -20.0 PSI 47 47 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 SER N 1.0 -60.0 -20.0 PSI 48 48 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ASN N 1.0 -60.0 -20.0 PSI 49 49 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 LYS N 1.0 -60.0 -20.0 PSI 50 50 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 LEU N 1.0 -60.0 -20.0 PSI 51 51 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ARG N 1.0 -60.0 -20.0 PSI 52 52 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ASN N 1.0 -60.0 -20.0 PSI 53 53 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 LYS N 1.0 -60.0 -20.0 PSI 54 54 A 36 THR N A 36 THR CA A 36 THR C A 37 CYS N 1.0 -60.0 -20.0 PSI 55 55 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 150.0 210.0 CHI1 56 56 A 5 ASP N A 5 ASP CA A 5 ASP CB A 5 ASP CG 1.0 -90.0 -30.0 CHI1 57 57 A 8 HIS N A 8 HIS CA A 8 HIS CB A 8 HIS CG 1.0 -90.0 -30.0 CHI1 58 58 A 11 ILE N A 11 ILE CA A 11 ILE CB A 11 ILE CG1 1.0 -90.0 -30.0 CHI1 59 59 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 -90.0 -30.0 CHI1 60 60 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -90.0 -30.0 CHI1 61 61 A 18 PHE N A 18 PHE CA A 18 PHE CB A 18 PHE CG 1.0 -90.0 -30.0 CHI1 62 62 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 CHI1 63 63 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 30.0 90.0 CHI1 64 64 A 25 ASN N A 25 ASN CA A 25 ASN CB A 25 ASN CG 1.0 -90.0 -30.0 CHI1 65 65 A 27 VAL N A 27 VAL CA A 27 VAL CB A 27 VAL CG1 1.0 150.0 210.0 CHI1 66 66 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -90.0 -30.0 CHI1 67 67 A 30 ARG N A 30 ARG CA A 30 ARG CB A 30 ARG CG 1.0 -90.0 -30.0 CHI1 68 68 A 33 CYS N A 33 CYS CA A 33 CYS CB A 33 CYS SG 1.0 -90.0 -30.0 CHI1 69 69 A 34 LYS N A 34 LYS CA A 34 LYS CB A 34 LYS CG 1.0 -90.0 -30.0 CHI1 70 70 A 35 LYS N A 35 LYS CA A 35 LYS CB A 35 LYS CG 1.0 150.0 210.0 CHI1 71 71 A 36 THR N A 36 THR CA A 36 THR CB A 36 THR OG1 1.0 -90.0 -30.0 CHI1 72 72 A 37 CYS N A 37 CYS CA A 37 CYS CB A 37 CYS SG 1.0 -90.0 -30.0 CHI1 73 73 A 40 CYS N A 40 CYS CA A 40 CYS CB A 40 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_ save_DYANA/DIANA_dihedral_9 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_9 _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 ALA C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -80.0 -40.0 PHI 2 2 A 2 ALA C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -150.0 -90.0 PHI 3 3 A 3 CYS C A 4 SER N A 4 SER CA A 4 SER C 1.0 -180.0 -140.0 PHI 4 4 A 4 SER C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -100.0 -70.0 PHI 5 5 A 5 ASP C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -150.0 -90.0 PHI 6 6 A 6 ARG C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -80.0 -40.0 PHI 7 7 A 7 ALA C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -80.0 -40.0 PHI 8 8 A 9 GLY C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -100.0 -70.0 PHI 9 9 A 10 HIS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -80.0 -40.0 PHI 10 10 A 11 ILE C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -80.0 -40.0 PHI 11 11 A 12 CYS C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -80.0 -40.0 PHI 12 12 A 13 GLU C A 14 SER N A 14 SER CA A 14 SER C 1.0 -80.0 -40.0 PHI 13 13 A 14 SER C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -150.0 -90.0 PHI 14 14 A 15 PHE C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -80.0 -40.0 PHI 15 15 A 16 LYS C A 17 SER N A 17 SER CA A 17 SER C 1.0 -80.0 -40.0 PHI 16 16 A 17 SER C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -150.0 -90.0 PHI 17 17 A 18 PHE C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -80.0 -40.0 PHI 18 18 A 19 CYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -150.0 -90.0 PHI 19 19 A 20 LYS C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -80.0 -40.0 PHI 20 20 A 21 ASP C A 22 SER N A 22 SER CA A 22 SER C 1.0 -80.0 -40.0 PHI 21 21 A 23 GLY C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -80.0 -40.0 PHI 22 22 A 24 ARG C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -80.0 -40.0 PHI 23 23 A 26 GLY C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -80.0 -40.0 PHI 24 24 A 27 VAL C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -80.0 -40.0 PHI 25 25 A 28 LYS C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -80.0 -40.0 PHI 26 26 A 29 LEU C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -80.0 -40.0 PHI 27 27 A 30 ARG C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -100.0 -70.0 PHI 28 28 A 31 ALA C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -100.0 -60.0 PHI 29 29 A 31 ALA C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -100.0 220.0 PHI 30 30 A 32 ASN C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -150.0 -90.0 PHI 31 31 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -80.0 -40.0 PHI 32 32 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -100.0 -70.0 PHI 33 33 A 35 LYS C A 36 THR N A 36 THR CA A 36 THR C 1.0 -80.0 -40.0 PHI 34 34 A 36 THR C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -100.0 -70.0 PHI 35 35 A 38 GLY C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -150.0 -90.0 PHI 36 36 A 39 LEU C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -180.0 -70.0 PHI 37 37 A 39 LEU C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -100.0 220.0 PHI 38 38 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 CYS N 1.0 -60.0 -20.0 PSI 39 39 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 GLU N 1.0 -60.0 -20.0 PSI 40 40 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 SER N 1.0 -60.0 -20.0 PSI 41 41 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 SER N 1.0 -60.0 -20.0 PSI 42 42 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ASN N 1.0 -60.0 -20.0 PSI 43 43 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 LYS N 1.0 -60.0 -20.0 PSI 44 44 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 LEU N 1.0 -60.0 -20.0 PSI 45 45 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ARG N 1.0 -60.0 -20.0 PSI 46 46 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ASN N 1.0 -60.0 -20.0 PSI 47 47 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 LYS N 1.0 -60.0 -20.0 PSI 48 48 A 36 THR N A 36 THR CA A 36 THR C A 37 CYS N 1.0 -60.0 -20.0 PSI 49 49 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 150.0 210.0 CHI1 50 50 A 5 ASP N A 5 ASP CA A 5 ASP CB A 5 ASP CG 1.0 -90.0 -30.0 CHI1 51 51 A 8 HIS N A 8 HIS CA A 8 HIS CB A 8 HIS CG 1.0 -90.0 -30.0 CHI1 52 52 A 11 ILE N A 11 ILE CA A 11 ILE CB A 11 ILE CG1 1.0 -90.0 -30.0 CHI1 53 53 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 -90.0 -30.0 CHI1 54 54 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -90.0 -30.0 CHI1 55 55 A 18 PHE N A 18 PHE CA A 18 PHE CB A 18 PHE CG 1.0 -90.0 -30.0 CHI1 56 56 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 CHI1 57 57 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 30.0 90.0 CHI1 58 58 A 25 ASN N A 25 ASN CA A 25 ASN CB A 25 ASN CG 1.0 -90.0 -30.0 CHI1 59 59 A 27 VAL N A 27 VAL CA A 27 VAL CB A 27 VAL CG1 1.0 150.0 210.0 CHI1 60 60 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -90.0 -30.0 CHI1 61 61 A 30 ARG N A 30 ARG CA A 30 ARG CB A 30 ARG CG 1.0 -90.0 -30.0 CHI1 62 62 A 33 CYS N A 33 CYS CA A 33 CYS CB A 33 CYS SG 1.0 -90.0 -30.0 CHI1 63 63 A 34 LYS N A 34 LYS CA A 34 LYS CB A 34 LYS CG 1.0 -90.0 -30.0 CHI1 64 64 A 35 LYS N A 35 LYS CA A 35 LYS CB A 35 LYS CG 1.0 150.0 210.0 CHI1 65 65 A 36 THR N A 36 THR CA A 36 THR CB A 36 THR OG1 1.0 -90.0 -30.0 CHI1 66 66 A 37 CYS N A 37 CYS CA A 37 CYS CB A 37 CYS SG 1.0 -90.0 -30.0 CHI1 67 67 A 40 CYS N A 40 CYS CA A 40 CYS CB A 40 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_