data_nef_c34453_6thi 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6THI 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 12 CYS SG 1 63 CYS SG 1 16 CYS SG 1 22 CYS SG 1 16 CYS SG 1 36 CYS SG 1 22 CYS SG 1 46 CYS SG 1 26 CYS SG 1 48 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 VAL start . . 2 A 2 ARG middle . . 3 A 3 ASP middle . . 4 A 4 GLY middle . false 5 A 5 TYR middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 ASP middle . . 9 A 9 ASP middle . . 10 A 10 LYS middle . . 11 A 11 ASN middle . . 12 A 12 CYS middle -HG . 13 A 13 ALA middle . . 14 A 14 TYR middle . . 15 A 15 PHE middle . . 16 A 16 CYS middle -HG . 17 A 17 GLY middle . false 18 A 18 ARG middle . . 19 A 19 ASN middle . . 20 A 20 ALA middle . . 21 A 21 TYR middle . . 22 A 22 CYS middle -HG . 23 A 23 ASP middle . . 24 A 24 GLU middle . . 25 A 25 GLU middle . . 26 A 26 CYS middle -HG . 27 A 27 LYS middle . . 28 A 28 LYS middle . . 29 A 29 LYS middle . . 30 A 30 GLY middle . false 31 A 31 ALA middle . . 32 A 32 GLU middle . . 33 A 33 SER middle . . 34 A 34 GLY middle . false 35 A 35 TYR middle . . 36 A 36 CYS middle -HG . 37 A 37 GLN middle . . 38 A 38 TRP middle . . 39 A 39 ALA middle . . 40 A 40 GLY middle . false 41 A 41 GLN middle . . 42 A 42 TYR middle . . 43 A 43 GLY middle . false 44 A 44 ASN middle . . 45 A 45 ALA middle . . 46 A 46 CYS middle -HG . 47 A 47 TRP middle . . 48 A 48 CYS middle -HG . 49 A 49 TYR middle . . 50 A 50 LYS middle . . 51 A 51 LEU middle . . 52 A 52 PRO middle . false 53 A 53 ASP middle . . 54 A 54 LYS middle . . 55 A 55 VAL middle . . 56 A 56 PRO middle . false 57 A 57 ILE middle . . 58 A 58 LYS middle . . 59 A 59 VAL middle . . 60 A 60 SER middle . . 61 A 61 GLY middle . false 62 A 62 LYS middle . . 63 A 63 CYS middle -HG . 64 A 64 ASN end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 VAL HA H 1 4.239 0.000 A 1 VAL HB H 1 1.735 0.000 A 1 VAL HGx% H 1 0.927 0.000 A 1 VAL HGy% H 1 0.846 0.000 A 1 VAL CB C 13 32.900 0.000 A 1 VAL CG1 C 13 21.077 0.000 A 1 VAL CG2 C 13 17.254 0.000 A 2 ARG H H 1 8.907 0.000 A 2 ARG HA H 1 4.759 0.000 A 2 ARG HBy H 1 1.915 0.000 A 2 ARG HBx H 1 1.833 0.000 A 2 ARG HDx H 1 3.001 0.000 A 2 ARG HDy H 1 3.093 0.000 A 2 ARG HE H 1 8.067 0.000 A 2 ARG HGy H 1 1.463 0.000 A 2 ARG HGx H 1 1.395 0.000 A 2 ARG CB C 13 32.658 0.000 A 2 ARG CD C 13 41.946 0.000 A 2 ARG CG C 13 25.079 0.000 A 2 ARG N N 15 118.648 0.000 A 2 ARG NE N 15 119.032 0.000 A 3 ASP H H 1 8.182 0.000 A 3 ASP HA H 1 5.155 0.000 A 3 ASP HBx H 1 2.641 0.000 A 3 ASP HBy H 1 2.757 0.000 A 3 ASP CA C 13 51.269 0.000 A 3 ASP CB C 13 42.714 0.000 A 3 ASP N N 15 120.337 0.000 A 4 GLY H H 1 7.284 0.000 A 4 GLY HAx H 1 1.731 0.000 A 4 GLY HAy H 1 3.433 0.000 A 4 GLY CA C 13 44.229 0.000 A 4 GLY N N 15 105.847 0.000 A 5 TYR H H 1 8.140 0.000 A 5 TYR HA H 1 5.183 0.000 A 5 TYR HBx H 1 2.916 0.000 A 5 TYR HBy H 1 3.036 0.000 A 5 TYR HD1 H 1 7.476 0.000 A 5 TYR HD2 H 1 7.476 0.000 A 5 TYR HE1 H 1 7.070 0.000 A 5 TYR HE2 H 1 7.070 0.000 A 5 TYR CA C 13 56.816 0.000 A 5 TYR CB C 13 37.311 0.000 A 5 TYR CD1 C 13 134.009 0.000 A 5 TYR CE1 C 13 118.308 0.000 A 5 TYR N N 15 118.112 0.000 A 6 ILE H H 1 6.455 0.000 A 6 ILE HA H 1 4.055 0.000 A 6 ILE HB H 1 1.652 0.000 A 6 ILE HD1% H 1 0.192 0.000 A 6 ILE HG1x H 1 0.855 0.000 A 6 ILE HG1y H 1 1.379 0.000 A 6 ILE HG2% H 1 0.571 0.000 A 6 ILE CB C 13 38.636 0.000 A 6 ILE CD1 C 13 12.918 0.000 A 6 ILE CG1 C 13 26.192 0.000 A 6 ILE CG2 C 13 18.212 0.000 A 6 ILE N N 15 119.141 0.000 A 7 ALA H H 1 7.677 0.000 A 7 ALA HA H 1 5.161 0.000 A 7 ALA HB% H 1 0.981 0.000 A 7 ALA CA C 13 49.108 0.000 A 7 ALA CB C 13 21.975 0.000 A 7 ALA N N 15 123.523 0.000 A 8 ASP H H 1 8.452 0.000 A 8 ASP HA H 1 4.803 0.000 A 8 ASP HBy H 1 3.163 0.000 A 8 ASP HBx H 1 2.372 0.000 A 8 ASP CB C 13 40.672 0.000 A 8 ASP N N 15 120.074 0.000 A 9 ASP H H 1 8.289 0.000 A 9 ASP HA H 1 4.418 0.000 A 9 ASP HBx H 1 2.754 0.000 A 9 ASP HBy H 1 2.754 0.000 A 9 ASP CB C 13 39.659 0.000 A 9 ASP N N 15 115.522 0.000 A 10 LYS H H 1 8.306 0.000 A 10 LYS HA H 1 4.501 0.000 A 10 LYS HBx H 1 1.868 0.000 A 10 LYS HBy H 1 1.990 0.000 A 10 LYS HDx H 1 1.639 0.000 A 10 LYS HDy H 1 1.639 0.000 A 10 LYS HEx H 1 2.978 0.000 A 10 LYS HEy H 1 2.978 0.000 A 10 LYS HGy H 1 1.390 0.000 A 10 LYS HGx H 1 1.319 0.000 A 10 LYS CB C 13 32.142 0.000 A 10 LYS CD C 13 28.486 0.000 A 10 LYS CE C 13 41.908 0.000 A 10 LYS CG C 13 24.345 0.000 A 10 LYS N N 15 120.445 0.000 A 11 ASN H H 1 8.150 0.000 A 11 ASN HA H 1 4.179 0.000 A 11 ASN HBx H 1 2.491 0.000 A 11 ASN HBy H 1 3.584 0.000 A 11 ASN HD2y H 1 7.330 0.000 A 11 ASN HD2x H 1 6.883 0.000 A 11 ASN CB C 13 37.877 0.000 A 11 ASN N N 15 114.096 0.000 A 11 ASN ND2 N 15 111.310 0.000 A 12 CYS H H 1 8.655 0.000 A 12 CYS HA H 1 4.776 0.000 A 12 CYS HBy H 1 3.475 0.000 A 12 CYS HBx H 1 3.080 0.000 A 12 CYS CB C 13 43.821 0.000 A 12 CYS N N 15 118.740 0.000 A 13 ALA H H 1 7.951 0.000 A 13 ALA HA H 1 4.567 0.000 A 13 ALA HB% H 1 1.032 0.000 A 13 ALA CA C 13 50.936 0.000 A 13 ALA CB C 13 17.880 0.000 A 13 ALA N N 15 123.771 0.000 A 14 TYR H H 1 8.958 0.000 A 14 TYR HA H 1 4.480 0.000 A 14 TYR HBy H 1 3.023 0.000 A 14 TYR HBx H 1 2.826 0.000 A 14 TYR HD1 H 1 7.057 0.000 A 14 TYR HD2 H 1 7.057 0.000 A 14 TYR HE1 H 1 6.583 0.000 A 14 TYR HE2 H 1 6.583 0.000 A 14 TYR CB C 13 37.204 0.000 A 14 TYR CD1 C 13 131.901 0.000 A 14 TYR CE1 C 13 117.703 0.000 A 14 TYR N N 15 122.572 0.000 A 15 PHE H H 1 7.718 0.000 A 15 PHE HA H 1 5.087 0.000 A 15 PHE HBx H 1 3.052 0.000 A 15 PHE HBy H 1 3.107 0.000 A 15 PHE HD1 H 1 7.326 0.000 A 15 PHE HD2 H 1 7.326 0.000 A 15 PHE HE1 H 1 7.366 0.000 A 15 PHE HE2 H 1 7.366 0.000 A 15 PHE HZ H 1 7.283 0.000 A 15 PHE CA C 13 57.967 0.000 A 15 PHE CB C 13 38.562 0.000 A 15 PHE CD1 C 13 131.381 0.000 A 15 PHE CE1 C 13 131.078 0.000 A 15 PHE CZ C 13 129.519 0.000 A 15 PHE N N 15 124.237 0.000 A 16 CYS H H 1 7.484 0.000 A 16 CYS HA H 1 4.810 0.000 A 16 CYS HBy H 1 3.246 0.000 A 16 CYS HBx H 1 3.119 0.000 A 16 CYS CB C 13 47.904 0.000 A 16 CYS N N 15 116.970 0.000 A 17 GLY H H 1 8.755 0.000 A 17 GLY HAy H 1 4.428 0.000 A 17 GLY HAx H 1 3.731 0.000 A 17 GLY CA C 13 44.452 0.000 A 18 ARG H H 1 7.477 0.000 A 18 ARG HA H 1 4.989 0.000 A 18 ARG HBy H 1 2.155 0.000 A 18 ARG HBx H 1 1.995 0.000 A 18 ARG HDx H 1 3.372 0.000 A 18 ARG HDy H 1 3.372 0.000 A 18 ARG HE H 1 7.335 0.000 A 18 ARG HGy H 1 1.840 0.000 A 18 ARG HGx H 1 1.741 0.000 A 18 ARG CA C 13 54.430 0.000 A 18 ARG CB C 13 33.313 0.000 A 18 ARG CD C 13 43.109 0.000 A 18 ARG CG C 13 27.277 0.000 A 18 ARG N N 15 117.532 0.000 A 19 ASN H H 1 9.454 0.000 A 19 ASN HA H 1 4.525 0.000 A 19 ASN HBy H 1 3.355 0.000 A 19 ASN HBx H 1 3.054 0.000 A 19 ASN HD2y H 1 7.931 0.000 A 19 ASN HD2x H 1 7.244 0.000 A 19 ASN CB C 13 37.822 0.000 A 19 ASN ND2 N 15 112.970 0.000 A 20 ALA H H 1 9.145 0.000 A 20 ALA HA H 1 4.289 0.000 A 20 ALA HB% H 1 1.577 0.000 A 20 ALA CB C 13 18.134 0.000 A 20 ALA N N 15 121.748 0.000 A 21 TYR H H 1 6.670 0.000 A 21 TYR HA H 1 4.503 0.000 A 21 TYR HBy H 1 3.412 0.000 A 21 TYR HBx H 1 3.129 0.000 A 21 TYR HD1 H 1 7.201 0.000 A 21 TYR HD2 H 1 7.201 0.000 A 21 TYR HE1 H 1 6.910 0.000 A 21 TYR HE2 H 1 6.910 0.000 A 21 TYR CB C 13 38.680 0.000 A 21 TYR CD1 C 13 133.122 0.000 A 21 TYR CE1 C 13 118.687 0.000 A 21 TYR N N 15 116.238 0.000 A 22 CYS H H 1 6.878 0.000 A 22 CYS HA H 1 4.185 0.000 A 22 CYS HBx H 1 2.489 0.000 A 22 CYS HBy H 1 2.664 0.000 A 22 CYS CA C 13 58.667 0.000 A 22 CYS CB C 13 33.226 0.000 A 22 CYS N N 15 115.972 0.000 A 23 ASP H H 1 8.633 0.000 A 23 ASP HA H 1 4.096 0.000 A 23 ASP HBy H 1 2.918 0.000 A 23 ASP HBx H 1 2.733 0.000 A 23 ASP CB C 13 41.784 0.000 A 23 ASP N N 15 123.416 0.000 A 24 GLU H H 1 7.727 0.000 A 24 GLU HA H 1 3.945 0.000 A 24 GLU HBy H 1 2.240 0.000 A 24 GLU HBx H 1 2.074 0.000 A 24 GLU HGy H 1 2.429 0.000 A 24 GLU HGx H 1 2.243 0.000 A 24 GLU CA C 13 58.728 0.000 A 24 GLU CB C 13 29.158 0.000 A 24 GLU CG C 13 35.913 0.000 A 24 GLU N N 15 116.309 0.000 A 25 GLU H H 1 8.280 0.000 A 25 GLU HA H 1 3.806 0.000 A 25 GLU HBx H 1 1.431 0.000 A 25 GLU HBy H 1 1.694 0.000 A 25 GLU HGx H 1 1.669 0.000 A 25 GLU HGy H 1 1.824 0.000 A 25 GLU CA C 13 58.740 0.000 A 25 GLU CB C 13 28.400 0.000 A 25 GLU CG C 13 35.285 0.000 A 25 GLU N N 15 118.589 0.000 A 26 CYS H H 1 8.735 0.000 A 26 CYS HA H 1 4.028 0.000 A 26 CYS HBy H 1 2.790 0.000 A 26 CYS HBx H 1 2.540 0.000 A 26 CYS CA C 13 57.763 0.000 A 26 CYS CB C 13 35.620 0.000 A 26 CYS N N 15 116.504 0.000 A 27 LYS H H 1 8.242 0.000 A 27 LYS HA H 1 4.234 0.000 A 27 LYS HBx H 1 1.815 0.000 A 27 LYS HBy H 1 1.815 0.000 A 27 LYS HDx H 1 1.686 0.000 A 27 LYS HDy H 1 1.686 0.000 A 27 LYS HEy H 1 3.106 0.000 A 27 LYS HEx H 1 3.046 0.000 A 27 LYS HGy H 1 1.557 0.000 A 27 LYS HGx H 1 1.427 0.000 A 27 LYS CB C 13 32.333 0.000 A 27 LYS CD C 13 29.358 0.000 A 27 LYS CE C 13 41.967 0.000 A 27 LYS CG C 13 25.135 0.000 A 27 LYS N N 15 122.125 0.000 A 28 LYS H H 1 8.195 0.000 A 28 LYS HA H 1 4.056 0.000 A 28 LYS HBy H 1 1.962 0.000 A 28 LYS HBx H 1 1.916 0.000 A 28 LYS HDx H 1 1.516 0.000 A 28 LYS HDy H 1 1.516 0.000 A 28 LYS HEx H 1 2.903 0.000 A 28 LYS HEy H 1 2.903 0.000 A 28 LYS HGy H 1 1.693 0.000 A 28 LYS HGx H 1 1.505 0.000 A 28 LYS CB C 13 31.881 0.000 A 28 LYS CD C 13 28.395 0.000 A 28 LYS CE C 13 41.711 0.000 A 28 LYS CG C 13 25.576 0.000 A 28 LYS N N 15 123.404 0.000 A 29 LYS H H 1 7.063 0.000 A 29 LYS HA H 1 4.331 0.000 A 29 LYS HBx H 1 1.774 0.000 A 29 LYS HBy H 1 2.133 0.000 A 29 LYS HDx H 1 1.535 0.000 A 29 LYS HDy H 1 1.666 0.000 A 29 LYS HEx H 1 3.008 0.000 A 29 LYS HEy H 1 3.008 0.000 A 29 LYS HGy H 1 1.452 0.000 A 29 LYS CB C 13 32.289 0.000 A 29 LYS CD C 13 28.364 0.000 A 29 LYS CE C 13 41.738 0.000 A 29 LYS CG C 13 24.976 0.000 A 29 LYS N N 15 116.470 0.000 A 30 GLY H H 1 7.810 0.000 A 30 GLY HAx H 1 3.721 0.000 A 30 GLY HAy H 1 4.232 0.000 A 30 GLY CA C 13 44.683 0.000 A 30 GLY N N 15 105.411 0.000 A 31 ALA H H 1 7.839 0.000 A 31 ALA HA H 1 4.658 0.000 A 31 ALA HB% H 1 1.284 0.000 A 31 ALA CB C 13 19.704 0.000 A 31 ALA N N 15 121.105 0.000 A 32 GLU H H 1 8.046 0.000 A 32 GLU HA H 1 4.169 0.000 A 32 GLU HBy H 1 2.072 0.000 A 32 GLU HBx H 1 1.998 0.000 A 32 GLU HGx H 1 2.210 0.000 A 32 GLU HGy H 1 2.341 0.000 A 32 GLU CA C 13 54.068 0.000 A 32 GLU CB C 13 31.428 0.000 A 32 GLU CG C 13 36.682 0.000 A 32 GLU N N 15 118.209 0.000 A 33 SER H H 1 7.662 0.000 A 33 SER HA H 1 4.710 0.000 A 33 SER HBx H 1 4.175 0.000 A 33 SER HBy H 1 4.175 0.000 A 33 SER CB C 13 64.233 0.000 A 33 SER N N 15 106.237 0.000 A 34 GLY H H 1 8.927 0.000 A 34 GLY HAx H 1 4.752 0.000 A 34 GLY HAy H 1 4.951 0.000 A 34 GLY CA C 13 46.980 0.000 A 34 GLY N N 15 106.799 0.000 A 35 TYR H H 1 9.200 0.000 A 35 TYR HA H 1 4.932 0.000 A 35 TYR HBx H 1 3.065 0.000 A 35 TYR HBy H 1 3.186 0.000 A 35 TYR HD1 H 1 7.114 0.000 A 35 TYR HD2 H 1 7.114 0.000 A 35 TYR HE1 H 1 6.730 0.000 A 35 TYR HE2 H 1 6.730 0.000 A 35 TYR CA C 13 56.399 0.000 A 35 TYR CB C 13 39.772 0.000 A 35 TYR CD1 C 13 133.011 0.000 A 35 TYR CE1 C 13 117.863 0.000 A 35 TYR N N 15 115.364 0.000 A 36 CYS H H 1 9.355 0.000 A 36 CYS HA H 1 5.013 0.000 A 36 CYS HBy H 1 2.924 0.000 A 36 CYS HBx H 1 2.841 0.000 A 36 CYS CA C 13 54.550 0.000 A 36 CYS CB C 13 37.241 0.000 A 36 CYS N N 15 121.827 0.000 A 37 GLN H H 1 8.523 0.000 A 37 GLN HA H 1 4.620 0.000 A 37 GLN HBx H 1 1.769 0.000 A 37 GLN HBy H 1 2.518 0.000 A 37 GLN HE2x H 1 6.370 0.000 A 37 GLN HE2y H 1 7.404 0.000 A 37 GLN HGx H 1 2.289 0.000 A 37 GLN HGy H 1 2.526 0.000 A 37 GLN CB C 13 30.392 0.000 A 37 GLN CG C 13 33.950 0.000 A 37 GLN N N 15 130.962 0.000 A 37 GLN NE2 N 15 113.425 0.000 A 38 TRP H H 1 8.582 0.000 A 38 TRP HA H 1 4.522 0.000 A 38 TRP HBx H 1 3.216 0.000 A 38 TRP HBy H 1 3.216 0.000 A 38 TRP HD1 H 1 7.317 0.000 A 38 TRP HE1 H 1 9.997 0.000 A 38 TRP HE3 H 1 7.649 0.000 A 38 TRP HH2 H 1 7.156 0.000 A 38 TRP HZ2 H 1 7.478 0.000 A 38 TRP HZ3 H 1 7.202 0.000 A 38 TRP CB C 13 28.813 0.000 A 38 TRP CD1 C 13 126.719 0.000 A 38 TRP CE3 C 13 120.874 0.000 A 38 TRP CH2 C 13 121.634 0.000 A 38 TRP CZ2 C 13 113.974 0.000 A 38 TRP CZ3 C 13 124.057 0.000 A 38 TRP N N 15 128.204 0.000 A 38 TRP NE1 N 15 129.067 0.000 A 39 ALA H H 1 8.722 0.000 A 39 ALA HA H 1 4.175 0.000 A 39 ALA HB% H 1 1.318 0.000 A 39 ALA CB C 13 17.957 0.000 A 39 ALA N N 15 126.845 0.000 A 41 GLN H H 1 8.417 0.000 A 41 GLN HA H 1 3.903 0.000 A 41 GLN HBy H 1 1.807 0.000 A 41 GLN HBx H 1 1.506 0.000 A 41 GLN HE2x H 1 6.847 0.000 A 41 GLN HE2y H 1 7.191 0.000 A 41 GLN HGx H 1 1.688 0.000 A 41 GLN HGy H 1 1.688 0.000 A 41 GLN CB C 13 28.365 0.000 A 41 GLN CG C 13 32.513 0.000 A 41 GLN N N 15 120.387 0.000 A 41 GLN NE2 N 15 111.399 0.000 A 42 TYR H H 1 7.927 0.000 A 42 TYR HA H 1 4.728 0.000 A 42 TYR HBy H 1 3.130 0.000 A 42 TYR HBx H 1 2.236 0.000 A 42 TYR HD1 H 1 6.635 0.000 A 42 TYR HD2 H 1 6.635 0.000 A 42 TYR HE1 H 1 6.701 0.000 A 42 TYR HE2 H 1 6.701 0.000 A 42 TYR CB C 13 37.305 0.000 A 42 TYR CD1 C 13 132.272 0.000 A 42 TYR CE1 C 13 117.863 0.000 A 42 TYR N N 15 116.474 0.000 A 43 GLY H H 1 7.504 0.000 A 43 GLY HAx H 1 3.532 0.000 A 43 GLY HAy H 1 4.274 0.000 A 43 GLY CA C 13 44.185 0.000 A 43 GLY N N 15 107.738 0.000 A 44 ASN H H 1 8.536 0.000 A 44 ASN HA H 1 5.495 0.000 A 44 ASN HBy H 1 2.944 0.000 A 44 ASN HBx H 1 2.525 0.000 A 44 ASN HD2y H 1 7.076 0.000 A 44 ASN HD2x H 1 6.282 0.000 A 44 ASN CA C 13 52.088 0.000 A 44 ASN CB C 13 37.549 0.000 A 44 ASN N N 15 124.284 0.000 A 44 ASN ND2 N 15 111.637 0.000 A 45 ALA H H 1 8.637 0.000 A 45 ALA HA H 1 5.419 0.000 A 45 ALA HB% H 1 1.203 0.000 A 45 ALA CA C 13 51.008 0.000 A 45 ALA CB C 13 22.734 0.000 A 45 ALA N N 15 126.820 0.000 A 46 CYS H H 1 8.371 0.000 A 46 CYS HA H 1 5.318 0.000 A 46 CYS HBy H 1 2.710 0.000 A 46 CYS HBx H 1 2.648 0.000 A 46 CYS CA C 13 53.120 0.000 A 46 CYS CB C 13 34.100 0.000 A 46 CYS N N 15 116.147 0.000 A 47 TRP H H 1 9.195 0.000 A 47 TRP HA H 1 4.387 0.000 A 47 TRP HBx H 1 2.424 0.000 A 47 TRP HBy H 1 2.473 0.000 A 47 TRP HD1 H 1 5.903 0.000 A 47 TRP HE1 H 1 8.332 0.000 A 47 TRP HE3 H 1 5.631 0.000 A 47 TRP HH2 H 1 7.114 0.000 A 47 TRP HZ2 H 1 7.358 0.000 A 47 TRP HZ3 H 1 6.742 0.000 A 47 TRP CB C 13 30.389 0.000 A 47 TRP CD1 C 13 126.478 0.000 A 47 TRP CE3 C 13 119.779 0.000 A 47 TRP CH2 C 13 123.902 0.000 A 47 TRP CZ2 C 13 113.699 0.000 A 47 TRP CZ3 C 13 121.806 0.000 A 47 TRP N N 15 128.407 0.000 A 47 TRP NE1 N 15 126.255 0.000 A 48 CYS H H 1 8.145 0.000 A 48 CYS HA H 1 5.373 0.000 A 48 CYS HBx H 1 2.244 0.000 A 48 CYS HBy H 1 2.844 0.000 A 48 CYS CA C 13 50.413 0.000 A 48 CYS CB C 13 38.183 0.000 A 48 CYS N N 15 121.706 0.000 A 49 TYR H H 1 8.492 0.000 A 49 TYR HA H 1 4.859 0.000 A 49 TYR HBx H 1 2.827 0.000 A 49 TYR HBy H 1 2.977 0.000 A 49 TYR HD1 H 1 7.353 0.000 A 49 TYR HD2 H 1 7.353 0.000 A 49 TYR HE1 H 1 7.012 0.000 A 49 TYR HE2 H 1 7.012 0.000 A 49 TYR CB C 13 39.595 0.000 A 49 TYR CD1 C 13 133.644 0.000 A 49 TYR CE1 C 13 117.825 0.000 A 49 TYR N N 15 118.698 0.000 A 50 LYS H H 1 9.687 0.000 A 50 LYS HA H 1 3.374 0.000 A 50 LYS HBx H 1 1.684 0.000 A 50 LYS HBy H 1 2.054 0.000 A 50 LYS HDy H 1 1.662 0.000 A 50 LYS HDx H 1 1.601 0.000 A 50 LYS HEx H 1 2.996 0.000 A 50 LYS HEy H 1 2.996 0.000 A 50 LYS HGx H 1 1.258 0.000 A 50 LYS HGy H 1 1.322 0.000 A 50 LYS CA C 13 57.078 0.000 A 50 LYS CB C 13 32.602 0.000 A 50 LYS CD C 13 26.687 0.000 A 50 LYS CE C 13 41.753 0.000 A 50 LYS CG C 13 25.116 0.000 A 50 LYS N N 15 120.493 0.000 A 51 LEU H H 1 8.814 0.000 A 51 LEU HA H 1 4.074 0.000 A 51 LEU HBy H 1 1.553 0.000 A 51 LEU HBx H 1 1.387 0.000 A 51 LEU HDx% H 1 0.507 0.000 A 51 LEU HDy% H 1 0.668 0.000 A 51 LEU HG H 1 1.315 0.000 A 51 LEU CB C 13 43.199 0.000 A 51 LEU CD1 C 13 25.373 0.000 A 51 LEU CD2 C 13 25.328 0.000 A 51 LEU CG C 13 26.011 0.000 A 51 LEU N N 15 120.887 0.000 A 52 PRO HA H 1 4.399 0.000 A 52 PRO HBx H 1 1.838 0.000 A 52 PRO HBy H 1 2.506 0.000 A 52 PRO HDx H 1 3.464 0.000 A 52 PRO HDy H 1 3.706 0.000 A 52 PRO HGx H 1 2.072 0.000 A 52 PRO HGy H 1 2.285 0.000 A 52 PRO CB C 13 32.155 0.000 A 52 PRO CD C 13 50.244 0.000 A 52 PRO CG C 13 27.791 0.000 A 53 ASP H H 1 8.533 0.000 A 53 ASP HA H 1 4.070 0.000 A 53 ASP HBy H 1 2.585 0.000 A 53 ASP HBx H 1 2.437 0.000 A 53 ASP CB C 13 40.320 0.000 A 53 ASP N N 15 123.257 0.000 A 54 LYS H H 1 7.779 0.000 A 54 LYS HA H 1 4.139 0.000 A 54 LYS HBx H 1 1.858 0.000 A 54 LYS HBy H 1 1.858 0.000 A 54 LYS HDx H 1 1.678 0.000 A 54 LYS HDy H 1 1.678 0.000 A 54 LYS HEx H 1 2.985 0.000 A 54 LYS HEy H 1 2.985 0.000 A 54 LYS HGx H 1 1.361 0.000 A 54 LYS HGy H 1 1.385 0.000 A 54 LYS CB C 13 31.802 0.000 A 54 LYS CD C 13 28.860 0.000 A 54 LYS CE C 13 41.649 0.000 A 54 LYS CG C 13 23.994 0.000 A 54 LYS N N 15 112.608 0.000 A 55 VAL H H 1 7.582 0.000 A 55 VAL HA H 1 4.237 0.000 A 55 VAL HB H 1 1.991 0.000 A 55 VAL HGx% H 1 1.103 0.000 A 55 VAL HGy% H 1 1.126 0.000 A 55 VAL CB C 13 27.051 0.000 A 55 VAL CG1 C 13 21.279 0.000 A 55 VAL CG2 C 13 22.291 0.000 A 55 VAL N N 15 124.023 0.000 A 56 PRO HA H 1 4.257 0.000 A 56 PRO HBx H 1 1.912 0.000 A 56 PRO HBy H 1 2.227 0.000 A 56 PRO HDx H 1 3.753 0.000 A 56 PRO HDy H 1 4.068 0.000 A 56 PRO HGy H 1 2.099 0.000 A 56 PRO HGx H 1 1.884 0.000 A 56 PRO CB C 13 32.139 0.000 A 56 PRO CD C 13 51.191 0.000 A 56 PRO CG C 13 27.272 0.000 A 57 ILE H H 1 7.376 0.000 A 57 ILE HA H 1 4.883 0.000 A 57 ILE HB H 1 1.696 0.000 A 57 ILE HD1% H 1 0.654 0.000 A 57 ILE HG1y H 1 1.140 0.000 A 57 ILE HG1x H 1 0.838 0.000 A 57 ILE HG2% H 1 0.447 0.000 A 57 ILE CA C 13 58.168 0.000 A 57 ILE CB C 13 41.266 0.000 A 57 ILE CD1 C 13 13.393 0.000 A 57 ILE CG1 C 13 24.833 0.000 A 57 ILE CG2 C 13 17.383 0.000 A 57 ILE N N 15 113.374 0.000 A 58 LYS H H 1 8.749 0.000 A 58 LYS HA H 1 4.168 0.000 A 58 LYS HBx H 1 1.251 0.000 A 58 LYS HBy H 1 1.742 0.000 A 58 LYS HDy H 1 1.405 0.000 A 58 LYS HDx H 1 0.987 0.000 A 58 LYS HEy H 1 2.705 0.000 A 58 LYS HEx H 1 2.639 0.000 A 58 LYS HGy H 1 0.842 0.000 A 58 LYS HGx H 1 0.735 0.000 A 58 LYS CB C 13 32.576 0.000 A 58 LYS CD C 13 27.643 0.000 A 58 LYS CE C 13 41.781 0.000 A 58 LYS CG C 13 23.237 0.000 A 58 LYS N N 15 122.860 0.000 A 59 VAL H H 1 8.622 0.000 A 59 VAL HA H 1 4.568 0.000 A 59 VAL HB H 1 2.285 0.000 A 59 VAL HGx% H 1 0.972 0.000 A 59 VAL HGy% H 1 0.893 0.000 A 59 VAL CB C 13 31.737 0.000 A 59 VAL CG1 C 13 21.035 0.000 A 59 VAL CG2 C 13 18.651 0.000 A 59 VAL N N 15 121.274 0.000 A 60 SER H H 1 8.191 0.000 A 60 SER HA H 1 4.189 0.000 A 60 SER HBy H 1 3.964 0.000 A 60 SER HBx H 1 3.928 0.000 A 60 SER CA C 13 54.106 0.000 A 60 SER CB C 13 63.500 0.000 A 60 SER N N 15 115.902 0.000 A 61 GLY H H 1 6.942 0.000 A 61 GLY HAy H 1 3.888 0.000 A 61 GLY HAx H 1 3.861 0.000 A 61 GLY CA C 13 45.132 0.000 A 61 GLY N N 15 104.732 0.000 A 62 LYS H H 1 8.157 0.000 A 62 LYS HA H 1 4.262 0.000 A 62 LYS HBy H 1 2.052 0.000 A 62 LYS HDx H 1 1.920 0.000 A 62 LYS HDy H 1 1.920 0.000 A 62 LYS HGy H 1 1.756 0.000 A 62 LYS HGx H 1 1.671 0.000 A 63 CYS H H 1 7.309 0.000 A 63 CYS HA H 1 4.852 0.000 A 63 CYS HBx H 1 3.036 0.000 A 63 CYS HBy H 1 3.212 0.000 A 63 CYS CB C 13 41.542 0.000 A 64 ASN H H 1 8.337 0.000 A 64 ASN HA H 1 4.380 0.000 A 64 ASN HBx H 1 2.715 0.000 A 64 ASN HBy H 1 2.917 0.000 A 64 ASN HD2y H 1 7.371 0.000 A 64 ASN HD2x H 1 6.745 0.000 A 64 ASN CB C 13 39.670 0.000 A 64 ASN N N 15 127.781 0.000 A 64 ASN ND2 N 15 112.392 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 37 GLN HA A 38 TRP H 1.0 . 2.47 2 2 A 2 ARG HA A 3 ASP H 1.0 . 2.50 3 3 A 2 ARG HA A 51 LEU H 1.0 . 5.12 4 4 A 2 ARG HA A 2 ARG HBx 1.0 . 2.88 5 5 A 2 ARG HA A 2 ARG HBy 1.0 . 2.90 6 6 A 2 ARG HA A 1 VAL HGy% 1.0 . 4.04 7 7 A 14 TYR HA A 15 PHE H 1.0 . 2.54 8 8 A 14 TYR HA A 14 TYR HD% 1.0 . 3.08 9 9 A 5 TYR HD% A 47 TRP HBx 1.0 . 4.61 10 10 A 47 TRP HBx A 35 TYR HE% 1.0 . 4.16 11 11 A 47 TRP HBx A 35 TYR HD% 1.0 . 4.28 12 12 A 47 TRP HBx A 5 TYR HE% 1.0 . 3.50 13 13 A 58 LYS HDy A 59 VAL H 1.0 . 3.49 14 14 A 29 LYS H A 29 LYS HA 1.0 . 2.79 15 15 A 29 LYS HA A 30 GLY H 1.0 . 3.06 16 16 A 21 TYR HD% A 22 CYS HA 1.0 . 3.75 17 17 A 22 CYS HA A 25 GLU H 1.0 . 3.83 18 18 A 20 ALA HB% A 21 TYR HA 1.0 . 3.90 19 19 A 12 CYS HA A 13 ALA H 1.0 . 2.86 20 20 A 64 ASN H A 64 ASN HBx 1.0 . 2.82 21 21 A 6 ILE HG1y A 14 TYR HE% 1.0 . 3.95 22 22 A 14 TYR HD% A 6 ILE HG1y 1.0 . 2.56 23 23 A 6 ILE HG1y A 7 ALA H 1.0 . 3.34 24 24 A 26 CYS HBx A 48 CYS HA 1.0 . 3.97 25 25 A 48 CYS HA A 49 TYR H 1.0 . 2.43 26 26 A 48 CYS HA A 33 SER H 1.0 . 4.72 27 27 A 48 CYS HA A 47 TRP HD1 1.0 . 4.30 28 28 A 48 CYS HA A 49 TYR HD% 1.0 . 4.12 29 29 A 3 ASP HA A 4 GLY H 1.0 . 2.48 30 30 A 3 ASP HA A 3 ASP HBy 1.0 . 2.68 31 31 A 51 LEU H A 3 ASP HA 1.0 . 3.73 32 32 A 3 ASP HA A 50 LYS H 1.0 . 3.00 33 33 A 3 ASP HA A 3 ASP HBx 1.0 . 2.82 34 34 A 32 GLU H A 32 GLU HA 1.0 . 2.80 35 35 A 11 ASN H A 11 ASN HA 1.0 . 2.40 36 36 A 29 LYS H A 27 LYS HA 1.0 . 3.90 37 37 A 27 LYS HA A 27 LYS H 1.0 . 2.72 38 38 A 27 LYS HA A 31 ALA HB% 1.0 . 2.64 39 39 A 64 ASN H A 63 CYS HA 1.0 . 2.71 40 40 A 3 ASP HA A 49 TYR HA 1.0 . 4.08 41 41 A 4 GLY H A 49 TYR HA 1.0 . 4.43 42 42 A 3 ASP HBy A 49 TYR HA 1.0 . 3.26 43 43 A 51 LEU H A 49 TYR HA 1.0 . 4.07 44 44 A 50 LYS H A 49 TYR HA 1.0 . 2.40 45 45 A 13 ALA H A 12 CYS H 1.0 . 5.18 46 46 A 55 VAL HA A 55 VAL HGy% 1.0 . 2.65 47 47 A 55 VAL HA A 55 VAL HGx% 1.0 . 2.77 48 48 A 33 SER HA A 34 GLY H 1.0 . 3.54 49 49 A 43 GLY H A 43 GLY HAy 1.0 . 2.86 50 50 A 43 GLY HAy A 44 ASN H 1.0 . 2.75 51 51 A 15 PHE HA A 15 PHE HD% 1.0 . 2.97 52 52 A 15 PHE HA A 15 PHE HBy 1.0 . 2.89 53 53 A 15 PHE HA A 46 CYS H 1.0 . 3.91 54 54 A 15 PHE HA A 45 ALA HA 1.0 . 2.91 55 55 A 15 PHE HA A 16 CYS H 1.0 . 2.47 56 56 A 59 VAL H A 59 VAL HGx% 1.0 . 3.21 57 57 A 59 VAL HGx% A 57 ILE HD1% 1.0 . 2.66 58 58 A 59 VAL HGx% A 42 TYR HE% 1.0 . 4.15 59 59 A 59 VAL HGx% A 60 SER H 1.0 . 4.08 60 60 A 59 VAL HGx% A 11 ASN HD2x 1.0 . 4.98 61 61 A 16 CYS H A 16 CYS HBx 1.0 . 3.39 62 62 A 39 ALA H A 38 TRP HBx 1.0 . 3.66 63 62 A 38 TRP HBy A 39 ALA H 1.0 . 3.66 64 63 A 38 TRP HE3 A 38 TRP HBx 1.0 . 2.82 65 63 A 38 TRP HBy A 38 TRP HE3 1.0 . 2.82 66 64 A 38 TRP H A 38 TRP HBx 1.0 . 2.45 67 64 A 38 TRP H A 38 TRP HBy 1.0 . 2.45 68 65 A 38 TRP HD1 A 38 TRP HBx 1.0 . 2.87 69 65 A 38 TRP HBy A 38 TRP HD1 1.0 . 2.87 70 66 A 26 CYS H A 28 LYS H 1.0 . 4.27 71 67 A 25 GLU H A 26 CYS H 1.0 . 3.00 72 68 A 14 TYR HE% A 9 ASP H 1.0 . 4.38 73 69 A 14 TYR HE% A 7 ALA H 1.0 . 5.50 74 70 A 14 TYR HE% A 8 ASP H 1.0 . 3.97 75 71 A 51 LEU HDy% A 52 PRO HDy 1.0 . 3.47 76 72 A 23 ASP HBx A 24 GLU H 1.0 . 3.07 77 73 A 34 GLY H A 23 ASP HBx 1.0 . 5.15 78 74 A 20 ALA HB% A 23 ASP HBx 1.0 . 4.02 79 75 A 23 ASP HBx A 23 ASP H 1.0 . 2.65 80 76 A 1 VAL HA A 52 PRO HA 1.0 . 4.64 81 77 A 52 PRO HA A 2 ARG H 1.0 . 4.77 82 78 A 52 PRO HA A 53 ASP H 1.0 . 2.45 83 79 A 52 PRO HA A 1 VAL HGx% 1.0 . 2.70 84 80 A 52 PRO HA A 54 LYS H 1.0 . 4.28 85 81 A 42 TYR HE% A 58 LYS HBy 1.0 . 3.36 86 82 A 5 TYR HD% A 42 TYR HD% 1.0 . 3.27 87 83 A 42 TYR HD% A 42 TYR H 1.0 . 3.84 88 84 A 38 TRP HD1 A 39 ALA HB% 1.0 . 4.11 89 85 A 1 VAL HA A 2 ARG H 1.0 . 2.75 90 86 A 1 VAL HA A 53 ASP H 1.0 . 3.26 91 87 A 51 LEU H A 1 VAL HA 1.0 . 4.80 92 88 A 1 VAL HA A 1 VAL HGx% 1.0 . 2.91 93 89 A 1 VAL HGy% A 1 VAL HA 1.0 . 3.58 94 90 A 51 LEU H A 51 LEU HG 1.0 . 2.97 95 91 A 51 LEU HA A 51 LEU HDx% 1.0 . 3.68 96 92 A 51 LEU HA A 52 PRO HDx 1.0 . 2.86 97 93 A 31 ALA HB% A 51 LEU HA 1.0 . 2.89 98 94 A 51 LEU HDy% A 51 LEU HA 1.0 . 2.77 99 95 A 4 GLY H A 51 LEU HDx% 1.0 . 3.63 100 96 A 51 LEU HDx% A 48 CYS H 1.0 . 4.01 101 97 A 51 LEU HDx% A 55 VAL H 1.0 . 5.50 102 98 A 55 VAL HGx% A 51 LEU HDx% 1.0 . 2.97 103 99 A 51 LEU HDx% A 6 ILE H 1.0 . 4.46 104 100 A 58 LYS H A 58 LYS HBx 1.0 . 2.82 105 101 A 2 ARG H A 2 ARG HGy 1.0 . 3.56 106 102 A 57 ILE HD1% A 2 ARG HE 1.0 . 3.66 107 103 A 51 LEU HDy% A 2 ARG H 1.0 . 5.21 108 104 A 57 ILE HD1% A 5 TYR H 1.0 . 3.49 109 105 A 57 ILE HD1% A 57 ILE H 1.0 . 3.96 110 106 A 57 ILE HD1% A 58 LYS H 1.0 . 3.77 111 107 A 33 SER H A 33 SER HBx 1.0 . 2.99 112 107 A 33 SER H A 33 SER HBy 1.0 . 2.99 113 108 A 34 GLY H A 33 SER HBx 1.0 . 2.85 114 108 A 34 GLY H A 33 SER HBy 1.0 . 2.85 115 109 A 49 TYR HE% A 33 SER HBx 1.0 . 5.50 116 109 A 33 SER HBy A 49 TYR HE% 1.0 . 5.50 117 110 A 49 TYR HD% A 33 SER HBx 1.0 . 3.56 118 110 A 49 TYR HD% A 33 SER HBy 1.0 . 3.56 119 111 A 4 GLY H A 57 ILE HG2% 1.0 . 3.98 120 112 A 2 ARG HE A 57 ILE HG2% 1.0 . 3.87 121 113 A 5 TYR H A 57 ILE HG2% 1.0 . 3.52 122 114 A 7 ALA H A 57 ILE HG2% 1.0 . 3.84 123 115 A 57 ILE H A 57 ILE HG2% 1.0 . 3.41 124 116 A 42 TYR HE% A 60 SER HBy 1.0 . 4.67 125 117 A 14 TYR HE% A 25 GLU HBy 1.0 . 3.32 126 118 A 12 CYS H A 10 LYS HBx 1.0 . 3.83 127 119 A 10 LYS HBx A 10 LYS H 1.0 . 2.54 128 120 A 7 ALA HB% A 56 PRO HBx 1.0 . 2.91 129 121 A 47 TRP HBx A 47 TRP HE3 1.0 . 2.83 130 122 A 5 TYR HD% A 47 TRP HE3 1.0 . 3.59 131 123 A 48 CYS H A 47 TRP HE3 1.0 . 4.23 132 124 A 5 TYR HE% A 47 TRP HE3 1.0 . 3.34 133 125 A 26 CYS HBx A 27 LYS H 1.0 . 3.05 134 126 A 26 CYS HBx A 33 SER H 1.0 . 4.41 135 127 A 26 CYS HBx A 31 ALA HB% 1.0 . 2.61 136 128 A 38 TRP H A 37 GLN HBx 1.0 . 4.30 137 129 A 35 TYR HE% A 37 GLN HBx 1.0 . 2.84 138 130 A 9 ASP H A 9 ASP HBx 1.0 . 2.57 139 130 A 9 ASP H A 9 ASP HBy 1.0 . 2.57 140 131 A 42 TYR H A 42 TYR HBx 1.0 . 3.45 141 132 A 28 LYS H A 28 LYS HGy 1.0 . 2.80 142 133 A 14 TYR HE% A 8 ASP HBx 1.0 . 3.34 143 134 A 14 TYR HD% A 8 ASP HBx 1.0 . 4.81 144 135 A 8 ASP H A 8 ASP HBx 1.0 . 4.01 145 136 A 4 GLY H A 48 CYS H 1.0 . 3.19 146 137 A 51 LEU H A 4 GLY H 1.0 . 4.53 147 138 A 4 GLY H A 47 TRP HE1 1.0 . 5.50 148 139 A 5 TYR HD% A 5 TYR H 1.0 . 3.19 149 140 A 5 TYR HD% A 46 CYS H 1.0 . 4.65 150 141 A 5 TYR HBy A 45 ALA HB% 1.0 . 4.33 151 142 A 5 TYR H A 5 TYR HBy 1.0 . 3.46 152 143 A 58 LYS H A 5 TYR HBy 1.0 . 4.63 153 144 A 5 TYR HBy A 13 ALA HB% 1.0 . 3.81 154 145 A 14 TYR HD% A 46 CYS HBx 1.0 . 3.86 155 146 A 46 CYS HBx A 6 ILE HG2% 1.0 . 3.79 156 147 A 46 CYS H A 46 CYS HBx 1.0 . 2.99 157 148 A 3 ASP HBy A 47 TRP HZ2 1.0 . 2.66 158 149 A 4 GLY H A 3 ASP HBy 1.0 . 3.19 159 150 A 3 ASP HBy A 50 LYS H 1.0 . 4.24 160 151 A 42 TYR H A 41 GLN HA 1.0 . 3.40 161 152 A 43 GLY H A 41 GLN HA 1.0 . 3.59 162 153 A 55 VAL HGy% A 55 VAL H 1.0 . 2.59 163 154 A 43 GLY H A 43 GLY HAx 1.0 . 2.56 164 155 A 44 ASN H A 43 GLY HAx 1.0 . 2.98 165 156 A 26 CYS H A 24 GLU H 1.0 . 4.39 166 157 A 24 GLU H A 23 ASP H 1.0 . 3.06 167 158 A 25 GLU H A 24 GLU H 1.0 . 2.91 168 159 A 26 CYS H A 6 ILE HD1% 1.0 . 4.57 169 160 A 14 TYR HE% A 6 ILE HD1% 1.0 . 3.54 170 161 A 14 TYR HD% A 6 ILE HD1% 1.0 . 3.48 171 162 A 6 ILE H A 6 ILE HD1% 1.0 . 3.61 172 163 A 51 LEU H A 2 ARG H 1.0 . 3.04 173 164 A 50 LYS H A 2 ARG H 1.0 . 5.21 174 165 A 47 TRP HD1 A 47 TRP HBy 1.0 . 3.18 175 166 A 35 TYR HE% A 47 TRP HBy 1.0 . 3.73 176 167 A 35 TYR HD% A 47 TRP HBy 1.0 . 3.50 177 168 A 47 TRP HE3 A 47 TRP HA 1.0 . 3.43 178 169 A 5 TYR HD% A 47 TRP HA 1.0 . 3.32 179 170 A 48 CYS H A 47 TRP HA 1.0 . 2.40 180 171 A 47 TRP HD1 A 47 TRP HA 1.0 . 4.34 181 172 A 47 TRP HA A 5 TYR HA 1.0 . 3.30 182 173 A 6 ILE H A 47 TRP HA 1.0 . 3.94 183 174 A 2 ARG H A 50 LYS HA 1.0 . 3.52 184 175 A 51 LEU H A 50 LYS HA 1.0 . 2.75 185 176 A 50 LYS H A 50 LYS HA 1.0 . 2.44 186 177 A 1 VAL HGy% A 50 LYS HA 1.0 . 3.08 187 178 A 51 LEU HDx% A 6 ILE HA 1.0 . 3.48 188 179 A 57 ILE HG2% A 6 ILE HA 1.0 . 3.26 189 180 A 6 ILE HG2% A 6 ILE HA 1.0 . 3.03 190 181 A 7 ALA H A 6 ILE HA 1.0 . 2.45 191 182 A 7 ALA HB% A 6 ILE HA 1.0 . 4.01 192 183 A 29 LYS H A 28 LYS H 1.0 . 3.56 193 184 A 29 LYS H A 30 GLY H 1.0 . 2.62 194 185 A 23 ASP H A 22 CYS H 1.0 . 3.15 195 186 A 22 CYS H A 21 TYR H 1.0 . 2.85 196 187 A 23 ASP H A 21 TYR H 1.0 . 4.68 197 188 A 11 ASN H A 12 CYS H 1.0 . 2.79 198 189 A 12 CYS H A 8 ASP H 1.0 . 3.08 199 190 A 48 CYS H A 47 TRP H 1.0 . 4.47 200 191 A 3 ASP H A 2 ARG H 1.0 . 5.29 201 192 A 11 ASN H A 10 LYS H 1.0 . 2.46 202 193 A 27 LYS H A 26 CYS H 1.0 . 2.98 203 194 A 32 GLU H A 49 TYR HBx 1.0 . 4.37 204 195 A 49 TYR H A 49 TYR HBx 1.0 . 2.51 205 196 A 33 SER H A 49 TYR HBx 1.0 . 3.22 206 197 A 49 TYR H A 32 GLU H 1.0 . 4.36 207 198 A 30 GLY H A 30 GLY HAx 1.0 . 2.40 208 199 A 42 TYR H A 41 GLN H 1.0 . 4.56 209 200 A 33 SER H A 32 GLU H 1.0 . 2.71 210 201 A 49 TYR H A 33 SER H 1.0 . 3.22 211 202 A 33 SER H A 34 GLY H 1.0 . 4.71 212 203 A 43 GLY H A 42 TYR H 1.0 . 2.97 213 204 A 43 GLY H A 44 ASN H 1.0 . 4.54 214 205 A 15 PHE H A 14 TYR H 1.0 . 4.83 215 206 A 60 SER H A 59 VAL HB 1.0 . 3.52 216 207 A 16 CYS HBy A 21 TYR HE% 1.0 . 3.42 217 208 A 21 TYR HD% A 16 CYS HBy 1.0 . 2.87 218 209 A 16 CYS H A 16 CYS HBy 1.0 . 3.82 219 210 A 44 ASN HA A 45 ALA H 1.0 . 2.64 220 211 A 44 ASN HA A 38 TRP HBx 1.0 . 4.32 221 211 A 38 TRP HBy A 44 ASN HA 1.0 . 4.32 222 212 A 39 ALA H A 44 ASN HA 1.0 . 3.08 223 213 A 44 ASN HA A 38 TRP HA 1.0 . 2.82 224 214 A 39 ALA H A 38 TRP HA 1.0 . 2.71 225 215 A 44 ASN H A 38 TRP HA 1.0 . 4.74 226 216 A 44 ASN H A 15 PHE HD% 1.0 . 4.58 227 217 A 33 SER H A 49 TYR HBy 1.0 . 3.93 228 218 A 50 LYS H A 49 TYR HBy 1.0 . 3.33 229 219 A 14 TYR HD% A 14 TYR H 1.0 . 3.24 230 220 A 14 TYR HD% A 8 ASP H 1.0 . 5.11 231 221 A 55 VAL HGy% A 52 PRO HDx 1.0 . 2.95 232 222 A 51 LEU H A 52 PRO HDx 1.0 . 4.64 233 223 A 26 CYS H A 23 ASP HA 1.0 . 3.70 234 224 A 34 GLY H A 23 ASP HA 1.0 . 2.74 235 225 A 23 ASP HA A 26 CYS HBy 1.0 . 3.65 236 226 A 23 ASP H A 23 ASP HA 1.0 . 2.86 237 227 A 1 VAL HGx% A 52 PRO HBy 1.0 . 4.33 238 228 A 54 LYS H A 52 PRO HBy 1.0 . 3.97 239 229 A 2 ARG H A 53 ASP H 1.0 . 5.50 240 230 A 48 CYS HA A 34 GLY HAy 1.0 . 3.30 241 231 A 49 TYR H A 34 GLY HAy 1.0 . 3.81 242 232 A 49 TYR HD% A 34 GLY HAy 1.0 . 3.72 243 233 A 51 LEU H A 50 LYS HEx 1.0 . 4.35 244 233 A 51 LEU H A 50 LYS HEy 1.0 . 4.35 245 234 A 1 VAL HGy% A 50 LYS HEx 1.0 . 3.60 246 234 A 1 VAL HGy% A 50 LYS HEy 1.0 . 3.60 247 235 A 34 GLY H A 35 TYR H 1.0 . 4.78 248 236 A 2 ARG H A 1 VAL HB 1.0 . 2.94 249 237 A 51 LEU H A 50 LYS H 1.0 . 3.08 250 238 A 55 VAL HGx% A 6 ILE HG2% 1.0 . 3.21 251 239 A 7 ALA H A 55 VAL HGx% 1.0 . 4.05 252 240 A 55 VAL HGx% A 51 LEU HDy% 1.0 . 2.50 253 241 A 55 VAL HGx% A 56 PRO HDx 1.0 . 2.65 254 242 A 2 ARG HBx A 2 ARG H 1.0 . 4.14 255 243 A 47 TRP HD1 A 48 CYS H 1.0 . 4.22 256 244 A 35 TYR HE% A 47 TRP HD1 1.0 . 2.88 257 245 A 47 TRP HD1 A 49 TYR HE% 1.0 . 3.52 258 246 A 57 ILE H A 57 ILE HG1x 1.0 . 2.94 259 247 A 32 GLU H A 50 LYS HBx 1.0 . 3.21 260 248 A 14 TYR HE% A 29 LYS HEx 1.0 . 3.52 261 248 A 14 TYR HE% A 29 LYS HEy 1.0 . 3.52 262 249 A 6 ILE HD1% A 29 LYS HEx 1.0 . 3.19 263 249 A 6 ILE HD1% A 29 LYS HEy 1.0 . 3.19 264 250 A 55 VAL HGx% A 29 LYS HEx 1.0 . 4.14 265 250 A 55 VAL HGx% A 29 LYS HEy 1.0 . 4.14 266 251 A 42 TYR HD% A 58 LYS HEy 1.0 . 4.54 267 252 A 42 TYR HE% A 58 LYS HEy 1.0 . 3.82 268 253 A 14 TYR HE% A 25 GLU HA 1.0 . 4.90 269 254 A 28 LYS H A 25 GLU HA 1.0 . 3.79 270 255 A 29 LYS H A 25 GLU HA 1.0 . 4.35 271 256 A 25 GLU H A 25 GLU HA 1.0 . 2.90 272 257 A 25 GLU HA A 28 LYS HBx 1.0 . 2.77 273 257 A 25 GLU HA A 28 LYS HBy 1.0 . 2.77 274 258 A 25 GLU HA A 28 LYS HEx 1.0 . 3.66 275 258 A 25 GLU HA A 28 LYS HEy 1.0 . 3.66 276 259 A 54 LYS H A 54 LYS HGy 1.0 . 3.06 277 260 A 26 CYS H A 25 GLU HGx 1.0 . 3.73 278 260 A 26 CYS H A 25 GLU HGy 1.0 . 3.73 279 261 A 21 TYR HD% A 25 GLU HGx 1.0 . 3.99 280 261 A 21 TYR HD% A 25 GLU HGy 1.0 . 3.99 281 262 A 25 GLU H A 25 GLU HGx 1.0 . 2.64 282 262 A 25 GLU H A 25 GLU HGy 1.0 . 2.64 283 263 A 24 GLU H A 23 ASP HBy 1.0 . 3.85 284 264 A 34 GLY H A 23 ASP HBy 1.0 . 4.03 285 265 A 23 ASP H A 23 ASP HBy 1.0 . 2.61 286 266 A 5 TYR H A 47 TRP HZ3 1.0 . 4.03 287 267 A 45 ALA H A 44 ASN HD2y 1.0 . 4.51 288 268 A 44 ASN H A 44 ASN HD2y 1.0 . 4.08 289 269 A 26 CYS H A 26 CYS HBy 1.0 . 2.80 290 270 A 27 LYS H A 26 CYS HBy 1.0 . 2.85 291 271 A 34 GLY H A 26 CYS HBy 1.0 . 4.44 292 272 A 11 ASN HBy A 11 ASN HD2y 1.0 . 2.82 293 273 A 64 ASN H A 63 CYS HBy 1.0 . 3.95 294 274 A 42 TYR H A 42 TYR HBy 1.0 . 3.92 295 275 A 45 ALA HB% A 42 TYR HBy 1.0 . 4.13 296 276 A 13 ALA HB% A 42 TYR HBy 1.0 . 3.86 297 277 A 32 GLU H A 32 GLU HBx 1.0 . 2.69 298 278 A 33 SER H A 32 GLU HBx 1.0 . 2.94 299 279 A 47 TRP HE3 A 5 TYR HA 1.0 . 4.21 300 280 A 5 TYR HD% A 5 TYR HA 1.0 . 2.83 301 281 A 5 TYR HBy A 5 TYR HA 1.0 . 2.81 302 282 A 6 ILE H A 5 TYR HA 1.0 . 2.55 303 283 A 51 LEU HDx% A 48 CYS HBx 1.0 . 2.93 304 284 A 4 GLY H A 48 CYS HBx 1.0 . 4.26 305 285 A 48 CYS H A 48 CYS HBx 1.0 . 3.02 306 286 A 49 TYR H A 48 CYS HBx 1.0 . 3.61 307 287 A 42 TYR HBx A 45 ALA HB% 1.0 . 5.18 308 288 A 6 ILE HG2% A 48 CYS HBx 1.0 . 4.09 309 289 A 51 LEU HDy% A 48 CYS HBx 1.0 . 3.06 310 290 A 41 GLN HE2y A 41 GLN HGx 1.0 . 3.47 311 290 A 41 GLN HGy A 41 GLN HE2y 1.0 . 3.47 312 291 A 55 VAL H A 55 VAL HB 1.0 . 2.68 313 292 A 51 LEU HDy% A 55 VAL HB 1.0 . 3.16 314 293 A 21 TYR H A 18 ARG HBx 1.0 . 3.45 315 294 A 18 ARG HBx A 19 ASN H 1.0 . 5.50 316 295 A 54 LYS H A 54 LYS HA 1.0 . 2.89 317 296 A 51 LEU HDx% A 6 ILE HB 1.0 . 3.92 318 297 A 6 ILE H A 6 ILE HB 1.0 . 3.88 319 298 A 7 ALA H A 6 ILE HB 1.0 . 3.53 320 299 A 21 TYR HE% A 14 TYR HBx 1.0 . 3.53 321 300 A 14 TYR H A 14 TYR HBx 1.0 . 3.92 322 301 A 6 ILE HG2% A 29 LYS HEx 1.0 . 3.97 323 301 A 6 ILE HG2% A 29 LYS HEy 1.0 . 3.97 324 302 A 46 CYS H A 14 TYR HBx 1.0 . 3.91 325 303 A 38 TRP H A 38 TRP HE3 1.0 . 4.29 326 304 A 20 ALA HB% A 20 ALA H 1.0 . 3.67 327 305 A 20 ALA HB% A 21 TYR H 1.0 . 3.02 328 306 A 22 CYS H A 36 CYS HBy 1.0 . 3.95 329 307 A 42 TYR HE% A 58 LYS HGy 1.0 . 4.18 330 308 A 5 TYR HD% A 6 ILE H 1.0 . 3.90 331 309 A 48 CYS H A 6 ILE H 1.0 . 4.12 332 310 A 7 ALA H A 6 ILE H 1.0 . 4.68 333 311 A 29 LYS H A 29 LYS HBx 1.0 . 2.40 334 312 A 23 ASP H A 22 CYS HBy 1.0 . 3.27 335 313 A 22 CYS H A 21 TYR HBx 1.0 . 3.14 336 314 A 21 TYR H A 21 TYR HBx 1.0 . 2.73 337 315 A 13 ALA H A 12 CYS HBx 1.0 . 3.23 338 316 A 64 ASN H A 64 ASN HA 1.0 . 2.73 339 317 A 14 TYR HE% A 7 ALA HA 1.0 . 3.84 340 318 A 51 LEU HDx% A 7 ALA HA 1.0 . 4.03 341 319 A 3 ASP HA A 51 LEU HDx% 1.0 . 0.00 342 320 A 14 TYR HD% A 7 ALA HA 1.0 . 3.16 343 321 A 8 ASP H A 7 ALA HA 1.0 . 2.69 344 322 A 46 CYS HBx A 46 CYS HA 1.0 . 2.98 345 323 A 46 CYS HA A 37 GLN H 1.0 . 3.69 346 324 A 46 CYS HA A 46 CYS HBy 1.0 . 2.89 347 325 A 62 LYS HA A 63 CYS H 1.0 . 2.95 348 326 A 60 SER HA A 61 GLY H 1.0 . 3.54 349 327 A 11 ASN H A 10 LYS HA 1.0 . 3.22 350 328 A 10 LYS H A 10 LYS HA 1.0 . 2.84 351 329 A 14 TYR HE% A 8 ASP HA 1.0 . 3.06 352 330 A 9 ASP H A 8 ASP HA 1.0 . 2.87 353 331 A 55 VAL HGy% A 52 PRO HBx 1.0 . 3.39 354 332 A 53 ASP H A 52 PRO HBx 1.0 . 3.98 355 333 A 51 LEU HA A 31 ALA HA 1.0 . 3.30 356 334 A 32 GLU H A 31 ALA HA 1.0 . 2.82 357 335 A 33 SER H A 31 ALA HA 1.0 . 4.67 358 336 A 51 LEU HDy% A 31 ALA HA 1.0 . 4.15 359 337 A 57 ILE HG2% A 57 ILE HA 1.0 . 2.64 360 338 A 6 ILE HA A 57 ILE HA 1.0 . 3.05 361 339 A 7 ALA H A 57 ILE HA 1.0 . 3.00 362 340 A 58 LYS H A 57 ILE HA 1.0 . 2.61 363 341 A 7 ALA HB% A 57 ILE HA 1.0 . 3.38 364 342 A 45 ALA HB% A 45 ALA H 1.0 . 3.07 365 343 A 42 TYR HD% A 45 ALA HB% 1.0 . 3.95 366 344 A 5 TYR HD% A 45 ALA HB% 1.0 . 2.82 367 345 A 45 ALA HB% A 14 TYR H 1.0 . 3.87 368 346 A 15 PHE HD% A 45 ALA HB% 1.0 . 3.67 369 347 A 42 TYR HE% A 45 ALA HB% 1.0 . 3.79 370 348 A 46 CYS H A 45 ALA HB% 1.0 . 2.89 371 349 A 45 ALA HB% A 13 ALA HB% 1.0 . 2.40 372 350 A 44 ASN HA A 44 ASN HBx 1.0 . 2.91 373 351 A 16 CYS H A 44 ASN HBx 1.0 . 3.98 374 352 A 21 TYR HE% A 16 CYS HA 1.0 . 4.01 375 353 A 21 TYR HD% A 16 CYS HA 1.0 . 3.82 376 354 A 19 ASN HA A 36 CYS HBx 1.0 . 3.08 377 355 A 22 CYS H A 19 ASN HA 1.0 . 4.00 378 356 A 36 CYS HBy A 19 ASN HA 1.0 . 2.98 379 357 A 44 ASN HBx A 19 ASN HA 1.0 . 3.87 380 358 A 38 TRP HA A 44 ASN HBx 1.0 . 0.00 381 359 A 50 LYS H A 50 LYS HGy 1.0 . 3.56 382 360 A 23 ASP H A 35 TYR H 1.0 . 5.27 383 361 A 34 GLY H A 23 ASP H 1.0 . 5.33 384 362 A 5 TYR HD% A 42 TYR HE% 1.0 . 3.01 385 363 A 53 ASP H A 53 ASP HBx 1.0 . 3.10 386 364 A 54 LYS H A 53 ASP HBx 1.0 . 3.22 387 365 A 48 CYS HA A 34 GLY HAx 1.0 . 3.38 388 366 A 49 TYR H A 34 GLY HAx 1.0 . 4.16 389 367 A 50 LYS H A 50 LYS HGx 1.0 . 3.39 390 368 A 59 VAL H A 58 LYS HA 1.0 . 2.73 391 369 A 7 ALA HB% A 58 LYS HA 1.0 . 3.28 392 370 A 57 ILE HG2% A 51 LEU HBx 1.0 . 3.89 393 371 A 2 ARG H A 1 VAL HGx% 1.0 . 3.64 394 372 A 53 ASP H A 1 VAL HGx% 1.0 . 3.81 395 373 A 51 LEU H A 1 VAL HGx% 1.0 . 4.83 396 374 A 2 ARG HBy A 2 ARG H 1.0 . 3.92 397 375 A 57 ILE H A 56 PRO HA 1.0 . 2.46 398 376 A 57 ILE H A 57 ILE HG1y 1.0 . 3.23 399 377 A 28 LYS H A 27 LYS HBx 1.0 . 2.69 400 377 A 28 LYS H A 27 LYS HBy 1.0 . 2.69 401 378 A 27 LYS H A 27 LYS HBx 1.0 . 2.41 402 378 A 27 LYS H A 27 LYS HBy 1.0 . 2.41 403 379 A 14 TYR HE% A 25 GLU HGx 1.0 . 3.30 404 379 A 14 TYR HE% A 25 GLU HGy 1.0 . 3.30 405 380 A 21 TYR HE% A 25 GLU HGx 1.0 . 3.25 406 380 A 21 TYR HE% A 25 GLU HGy 1.0 . 3.25 407 381 A 10 LYS H A 10 LYS HGx 1.0 . 3.31 408 382 A 49 TYR HE% A 47 TRP HE1 1.0 . 3.50 409 383 A 11 ASN H A 11 ASN HBx 1.0 . 3.22 410 384 A 64 ASN H A 63 CYS HBx 1.0 . 4.22 411 385 A 48 CYS HA A 31 ALA HB% 1.0 . 3.64 412 386 A 32 GLU H A 31 ALA HB% 1.0 . 2.62 413 387 A 27 LYS H A 31 ALA HB% 1.0 . 3.23 414 388 A 49 TYR H A 31 ALA HB% 1.0 . 3.33 415 389 A 33 SER H A 31 ALA HB% 1.0 . 2.83 416 390 A 31 ALA HB% A 31 ALA H 1.0 . 2.60 417 391 A 31 ALA HB% A 51 LEU HDy% 1.0 . 2.44 418 392 A 32 GLU H A 32 GLU HBy 1.0 . 2.48 419 393 A 5 TYR HD% A 4 GLY HAx 1.0 . 4.17 420 394 A 5 TYR H A 4 GLY HAx 1.0 . 2.72 421 395 A 48 CYS HA A 48 CYS HBy 1.0 . 2.72 422 396 A 51 LEU HDx% A 48 CYS HBy 1.0 . 3.39 423 397 A 31 ALA HB% A 48 CYS HBy 1.0 . 2.67 424 398 A 51 LEU HDy% A 48 CYS HBy 1.0 . 3.38 425 399 A 42 TYR HD% A 41 GLN HBx 1.0 . 5.24 426 400 A 41 GLN H A 41 GLN HBx 1.0 . 3.83 427 401 A 42 TYR H A 41 GLN HBx 1.0 . 4.10 428 402 A 42 TYR HE% A 41 GLN HBx 1.0 . 4.09 429 403 A 20 ALA HB% A 18 ARG HDx 1.0 . 3.43 430 403 A 20 ALA HB% A 18 ARG HDy 1.0 . 3.43 431 404 A 21 TYR H A 18 ARG HBy 1.0 . 3.75 432 405 A 19 ASN H A 18 ARG HBy 1.0 . 5.50 433 406 A 53 ASP H A 54 LYS H 1.0 . 3.55 434 407 A 48 CYS H A 6 ILE HG2% 1.0 . 4.55 435 408 A 6 ILE H A 6 ILE HG2% 1.0 . 2.90 436 409 A 46 CYS H A 6 ILE HG2% 1.0 . 5.14 437 410 A 14 TYR HD% A 6 ILE HG1x 1.0 . 3.76 438 411 A 6 ILE H A 6 ILE HG1x 1.0 . 2.77 439 412 A 14 TYR H A 14 TYR HBy 1.0 . 3.10 440 413 A 6 ILE H A 14 TYR HBy 1.0 . 4.35 441 414 A 6 ILE HG2% A 48 CYS HBy 1.0 . 3.67 442 415 A 46 CYS H A 14 TYR HBy 1.0 . 3.70 443 416 A 23 ASP HBx A 20 ALA HA 1.0 . 2.93 444 417 A 22 CYS H A 20 ALA HA 1.0 . 4.91 445 418 A 23 ASP HBy A 20 ALA HA 1.0 . 3.11 446 419 A 23 ASP H A 20 ALA HA 1.0 . 3.79 447 420 A 22 CYS H A 35 TYR HA 1.0 . 4.45 448 421 A 23 ASP HBy A 35 TYR HA 1.0 . 3.75 449 422 A 22 CYS HBy A 35 TYR HA 1.0 . 3.31 450 423 A 23 ASP H A 35 TYR HA 1.0 . 3.21 451 424 A 35 TYR HA A 22 CYS HBx 1.0 . 3.04 452 425 A 37 GLN H A 36 CYS HA 1.0 . 2.50 453 426 A 46 CYS HA A 36 CYS HA 1.0 . 3.12 454 427 A 42 TYR HD% A 58 LYS HEx 1.0 . 4.03 455 428 A 42 TYR HE% A 58 LYS HEx 1.0 . 3.60 456 429 A 57 ILE HD1% A 2 ARG HDy 1.0 . 3.94 457 430 A 51 LEU HDy% A 29 LYS HBy 1.0 . 3.97 458 431 A 55 VAL HGy% A 29 LYS HBy 1.0 . 2.67 459 432 A 22 CYS H A 22 CYS HBx 1.0 . 2.75 460 433 A 23 ASP H A 22 CYS HBx 1.0 . 2.84 461 434 A 21 TYR H A 21 TYR HBy 1.0 . 2.78 462 435 A 13 ALA H A 12 CYS HBy 1.0 . 4.27 463 436 A 12 CYS H A 12 CYS HBy 1.0 . 2.69 464 437 A 37 GLN HBy A 37 GLN HE2y 1.0 . 4.07 465 438 A 35 TYR HE% A 37 GLN HBy 1.0 . 3.55 466 439 A 5 TYR HE% A 37 GLN HBy 1.0 . 2.66 467 440 A 46 CYS H A 14 TYR H 1.0 . 4.44 468 441 A 46 CYS H A 47 TRP H 1.0 . 4.45 469 442 A 12 CYS H A 10 LYS H 1.0 . 3.10 470 443 A 58 LYS H A 57 ILE H 1.0 . 4.41 471 444 A 46 CYS H A 45 ALA HA 1.0 . 2.47 472 445 A 45 ALA HA A 16 CYS H 1.0 . 3.21 473 446 A 38 TRP H A 38 TRP HD1 1.0 . 3.64 474 447 A 59 VAL H A 59 VAL HGy% 1.0 . 2.81 475 448 A 60 SER H A 59 VAL HGy% 1.0 . 4.21 476 449 A 59 VAL H A 11 ASN HD2x 1.0 . 3.27 477 450 A 44 ASN H A 44 ASN HBy 1.0 . 2.99 478 451 A 59 VAL HGx% A 59 VAL HA 1.0 . 2.66 479 452 A 60 SER H A 59 VAL HA 1.0 . 2.90 480 453 A 59 VAL HGy% A 59 VAL HA 1.0 . 3.11 481 454 A 6 ILE HD1% A 26 CYS HA 1.0 . 3.76 482 455 A 29 LYS H A 26 CYS HA 1.0 . 3.58 483 456 A 31 ALA HB% A 26 CYS HA 1.0 . 2.99 484 457 A 55 VAL HGy% A 52 PRO HGy 1.0 . 3.36 485 458 A 53 ASP H A 53 ASP HBy 1.0 . 3.15 486 459 A 54 LYS H A 53 ASP HBy 1.0 . 3.76 487 460 A 1 VAL HGx% A 50 LYS HBy 1.0 . 2.54 488 461 A 58 LYS H A 5 TYR H 1.0 . 4.33 489 462 A 57 ILE HD1% A 2 ARG HDx 1.0 . 3.31 490 463 A 2 ARG H A 51 LEU HBy 1.0 . 4.20 491 464 A 51 LEU H A 51 LEU HBy 1.0 . 2.68 492 465 A 1 VAL HGy% A 2 ARG H 1.0 . 3.70 493 466 A 51 LEU H A 1 VAL HGy% 1.0 . 4.56 494 467 A 29 LYS H A 51 LEU HDy% 1.0 . 4.84 495 468 A 51 LEU HDy% A 55 VAL H 1.0 . 5.50 496 469 A 51 LEU H A 51 LEU HDy% 1.0 . 3.66 497 470 A 51 LEU HDy% A 31 ALA H 1.0 . 3.48 498 471 A 2 ARG H A 2 ARG HGx 1.0 . 3.64 499 472 A 55 VAL HA A 56 PRO HDy 1.0 . 3.03 500 473 A 35 TYR HD% A 36 CYS H 1.0 . 3.40 501 474 A 35 TYR HD% A 35 TYR H 1.0 . 2.97 502 475 A 57 ILE H A 56 PRO HBy 1.0 . 3.40 503 476 A 42 TYR HD% A 41 GLN HGx 1.0 . 3.58 504 476 A 42 TYR HD% A 41 GLN HGy 1.0 . 3.58 505 477 A 42 TYR HE% A 41 GLN HGx 1.0 . 3.39 506 477 A 42 TYR HE% A 41 GLN HGy 1.0 . 3.39 507 478 A 57 ILE H A 57 ILE HB 1.0 . 3.63 508 479 A 58 LYS H A 57 ILE HB 1.0 . 2.77 509 480 A 59 VAL H A 58 LYS HGx 1.0 . 3.91 510 481 A 55 VAL HGx% A 29 LYS HDx 1.0 . 2.94 511 482 A 28 LYS H A 28 LYS HA 1.0 . 2.86 512 483 A 29 LYS H A 28 LYS HA 1.0 . 3.39 513 484 A 30 GLY H A 28 LYS HA 1.0 . 4.16 514 485 A 28 LYS H A 28 LYS HBy 1.0 . 2.90 515 486 A 42 TYR HE% A 60 SER HBx 1.0 . 4.58 516 487 A 61 GLY H A 60 SER HBx 1.0 . 3.81 517 488 A 26 CYS H A 25 GLU HBx 1.0 . 3.08 518 489 A 14 TYR HE% A 25 GLU HBx 1.0 . 3.77 519 490 A 6 ILE HD1% A 25 GLU HBx 1.0 . 3.15 520 491 A 25 GLU H A 25 GLU HBx 1.0 . 2.83 521 492 A 10 LYS H A 10 LYS HGy 1.0 . 3.17 522 493 A 49 TYR H A 49 TYR HD% 1.0 . 3.33 523 494 A 49 TYR HD% A 50 LYS H 1.0 . 3.99 524 495 A 37 GLN HE2y A 37 GLN HGx 1.0 . 3.92 525 496 A 38 TRP H A 37 GLN HGx 1.0 . 3.53 526 497 A 35 TYR HE% A 37 GLN HGx 1.0 . 3.91 527 498 A 5 TYR HE% A 37 GLN HGx 1.0 . 3.67 528 499 A 13 ALA H A 13 ALA HB% 1.0 . 2.80 529 500 A 13 ALA HB% A 15 PHE HE% 1.0 . 3.98 530 501 A 42 TYR HD% A 13 ALA HB% 1.0 . 3.76 531 502 A 5 TYR HD% A 13 ALA HB% 1.0 . 4.21 532 503 A 13 ALA HB% A 14 TYR H 1.0 . 2.84 533 504 A 15 PHE HD% A 13 ALA HB% 1.0 . 4.24 534 505 A 42 TYR HE% A 13 ALA HB% 1.0 . 4.15 535 506 A 46 CYS H A 13 ALA HB% 1.0 . 4.93 536 507 A 13 ALA HB% A 15 PHE HZ 1.0 . 4.74 537 508 A 55 VAL H A 54 LYS HBx 1.0 . 3.64 538 508 A 55 VAL H A 54 LYS HBy 1.0 . 3.64 539 509 A 54 LYS H A 54 LYS HBx 1.0 . 2.56 540 509 A 54 LYS H A 54 LYS HBy 1.0 . 2.56 541 510 A 57 ILE H A 56 PRO HBx 1.0 . 3.76 542 511 A 15 PHE H A 15 PHE HBx 1.0 . 2.95 543 512 A 9 ASP H A 8 ASP HBy 1.0 . 2.55 544 513 A 8 ASP H A 8 ASP HBy 1.0 . 4.01 545 514 A 57 ILE HD1% A 4 GLY HAy 1.0 . 3.15 546 515 A 57 ILE HG2% A 4 GLY HAy 1.0 . 3.08 547 516 A 4 GLY H A 4 GLY HAy 1.0 . 2.90 548 517 A 47 TRP HZ3 A 4 GLY HAy 1.0 . 3.75 549 518 A 5 TYR H A 4 GLY HAy 1.0 . 2.65 550 519 A 42 TYR HE% A 5 TYR HBx 1.0 . 4.05 551 520 A 5 TYR H A 5 TYR HBx 1.0 . 2.99 552 521 A 58 LYS H A 5 TYR HBx 1.0 . 3.70 553 522 A 46 CYS H A 46 CYS HBy 1.0 . 3.12 554 523 A 3 ASP HBx A 47 TRP HZ2 1.0 . 2.73 555 524 A 3 ASP H A 3 ASP HBx 1.0 . 2.82 556 525 A 3 ASP HBx A 47 TRP HH2 1.0 . 3.59 557 526 A 11 ASN H A 7 ALA HB% 1.0 . 3.52 558 527 A 14 TYR HD% A 7 ALA HB% 1.0 . 4.41 559 528 A 7 ALA H A 7 ALA HB% 1.0 . 2.75 560 529 A 8 ASP H A 7 ALA HB% 1.0 . 3.00 561 530 A 58 LYS H A 7 ALA HB% 1.0 . 3.28 562 531 A 41 GLN H A 41 GLN HBy 1.0 . 3.21 563 532 A 42 TYR H A 41 GLN HBy 1.0 . 4.14 564 533 A 26 CYS H A 24 GLU HA 1.0 . 4.18 565 534 A 28 LYS H A 24 GLU HA 1.0 . 4.15 566 535 A 27 LYS H A 24 GLU HA 1.0 . 4.17 567 536 A 24 GLU HA A 27 LYS HBx 1.0 . 3.36 568 536 A 27 LYS HBy A 24 GLU HA 1.0 . 3.36 569 537 A 19 ASN HBy A 19 ASN HD2y 1.0 . 3.70 570 538 A 14 TYR H A 13 ALA HA 1.0 . 3.02 571 539 A 14 TYR HD% A 13 ALA HA 1.0 . 3.90 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 undefined _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 CYS SG A 63 CYS SG 1.0 . 2.1 2 2 A 12 CYS SG A 63 CYS CB 1.0 . 3.1 3 3 A 63 CYS SG A 12 CYS CB 1.0 . 3.1 4 4 A 16 CYS SG A 36 CYS SG 1.0 . 2.1 5 5 A 16 CYS SG A 36 CYS CB 1.0 . 3.1 6 6 A 36 CYS SG A 16 CYS CB 1.0 . 3.1 7 7 A 22 CYS SG A 46 CYS SG 1.0 . 2.1 8 8 A 22 CYS SG A 46 CYS CB 1.0 . 3.1 9 9 A 46 CYS SG A 22 CYS CB 1.0 . 3.1 10 10 A 26 CYS SG A 48 CYS SG 1.0 . 2.1 11 11 A 26 CYS SG A 48 CYS CB 1.0 . 3.1 12 12 A 48 CYS SG A 26 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ARG H A 51 LEU O 1.0 . 2.2 2 2 A 2 ARG H A 51 LEU C 1.0 . 3.3 3 3 A 51 LEU O A 2 ARG N 1.0 . 3.3 4 4 A 4 GLY H A 48 CYS O 1.0 . 2.2 5 5 A 4 GLY H A 48 CYS C 1.0 . 3.3 6 6 A 48 CYS O A 4 GLY N 1.0 . 3.3 7 7 A 6 ILE H A 46 CYS O 1.0 . 2.2 8 8 A 6 ILE H A 46 CYS C 1.0 . 3.3 9 9 A 46 CYS O A 6 ILE N 1.0 . 3.3 10 10 A 7 ALA H A 56 PRO O 1.0 . 2.2 11 11 A 7 ALA H A 56 PRO C 1.0 . 3.3 12 12 A 56 PRO O A 7 ALA N 1.0 . 3.3 13 13 A 8 ASP H A 12 CYS O 1.0 . 2.2 14 14 A 8 ASP H A 12 CYS C 1.0 . 3.3 15 15 A 12 CYS O A 8 ASP N 1.0 . 3.3 16 16 A 11 ASN H A 8 ASP O 1.0 . 2.2 17 17 A 11 ASN H A 8 ASP C 1.0 . 3.3 18 18 A 8 ASP O A 11 ASN N 1.0 . 3.3 19 19 A 14 TYR H A 6 ILE O 1.0 . 2.2 20 20 A 14 TYR H A 6 ILE C 1.0 . 3.3 21 21 A 6 ILE O A 14 TYR N 1.0 . 3.3 22 22 A 22 CYS H A 18 ARG O 1.0 . 2.2 23 23 A 22 CYS H A 18 ARG C 1.0 . 3.3 24 24 A 18 ARG O A 22 CYS N 1.0 . 3.3 25 25 A 23 ASP H A 19 ASN O 1.0 . 2.2 26 26 A 23 ASP H A 19 ASN C 1.0 . 3.3 27 27 A 19 ASN O A 23 ASP N 1.0 . 3.3 28 28 A 24 GLU H A 20 ALA O 1.0 . 2.2 29 29 A 24 GLU H A 20 ALA C 1.0 . 3.3 30 30 A 20 ALA O A 24 GLU N 1.0 . 3.3 31 31 A 25 GLU H A 21 TYR O 1.0 . 2.2 32 32 A 25 GLU H A 21 TYR C 1.0 . 3.3 33 33 A 21 TYR O A 25 GLU N 1.0 . 3.3 34 34 A 26 CYS H A 22 CYS O 1.0 . 2.2 35 35 A 26 CYS H A 22 CYS C 1.0 . 3.3 36 36 A 22 CYS O A 26 CYS N 1.0 . 3.3 37 37 A 27 LYS H A 23 ASP O 1.0 . 2.2 38 38 A 27 LYS H A 23 ASP C 1.0 . 3.3 39 39 A 23 ASP O A 27 LYS N 1.0 . 3.3 40 40 A 28 LYS H A 24 GLU O 1.0 . 2.2 41 41 A 28 LYS H A 24 GLU C 1.0 . 3.3 42 42 A 24 GLU O A 28 LYS N 1.0 . 3.3 43 43 A 29 LYS H A 26 CYS O 1.0 . 2.2 44 44 A 29 LYS H A 26 CYS C 1.0 . 3.3 45 45 A 26 CYS O A 29 LYS N 1.0 . 3.3 46 46 A 30 GLY H A 27 LYS O 1.0 . 2.2 47 47 A 30 GLY H A 27 LYS C 1.0 . 3.3 48 48 A 27 LYS O A 30 GLY N 1.0 . 3.3 49 49 A 32 GLU H A 49 TYR O 1.0 . 2.2 50 50 A 32 GLU H A 49 TYR C 1.0 . 3.3 51 51 A 49 TYR O A 32 GLU N 1.0 . 3.3 52 52 A 35 TYR H A 47 TRP O 1.0 . 2.2 53 53 A 35 TYR H A 47 TRP C 1.0 . 3.3 54 54 A 47 TRP O A 35 TYR N 1.0 . 3.3 55 55 A 43 GLY H A 40 GLY O 1.0 . 2.2 56 56 A 43 GLY H A 40 GLY C 1.0 . 3.3 57 57 A 40 GLY O A 43 GLY N 1.0 . 3.3 58 58 A 46 CYS H A 14 TYR O 1.0 . 2.2 59 59 A 46 CYS H A 14 TYR C 1.0 . 3.3 60 60 A 14 TYR O A 46 CYS N 1.0 . 3.3 61 61 A 47 TRP H A 35 TYR O 1.0 . 2.2 62 62 A 47 TRP H A 35 TYR C 1.0 . 3.3 63 63 A 35 TYR O A 47 TRP N 1.0 . 3.3 64 64 A 48 CYS H A 4 GLY O 1.0 . 2.2 65 65 A 48 CYS H A 4 GLY C 1.0 . 3.3 66 66 A 4 GLY O A 48 CYS N 1.0 . 3.3 67 67 A 51 LEU H A 2 ARG O 1.0 . 2.2 68 68 A 51 LEU H A 2 ARG C 1.0 . 3.3 69 69 A 2 ARG O A 51 LEU N 1.0 . 3.3 70 70 A 55 VAL H A 52 PRO O 1.0 . 2.2 71 71 A 55 VAL H A 52 PRO C 1.0 . 3.3 72 72 A 52 PRO O A 55 VAL N 1.0 . 3.3 73 73 A 58 LYS H A 5 TYR O 1.0 . 2.2 74 74 A 58 LYS H A 5 TYR C 1.0 . 3.3 75 75 A 5 TYR O A 58 LYS N 1.0 . 3.3 stop_ save_