data_nef_c19660_2mhy save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MHY stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 13 CYS SG 1 21 CYS SG 1 50 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 LEU start . . 2 A 2 GLN middle . . 3 A 3 CYS middle -HG . 4 A 4 ASN middle . . 5 A 5 THR middle . . 6 A 6 LEU middle . . 7 A 7 ASP middle . . 8 A 8 GLY middle . false 9 A 9 GLY middle . false 10 A 10 THR middle . . 11 A 11 GLU middle . . 12 A 12 GLU middle . . 13 A 13 CYS middle -HG . 14 A 14 ILE middle . . 15 A 15 PRO middle . false 16 A 16 GLY middle . false 17 A 17 ILE middle . . 18 A 18 TYR middle . . 19 A 19 ASN middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 VAL middle . . 23 A 23 HIS middle . . 24 A 24 TYR middle . . 25 A 25 LYS middle . . 26 A 26 SER middle . . 27 A 27 GLU middle . . 28 A 28 ASP middle . . 29 A 29 GLU middle . . 30 A 30 GLU middle . . 31 A 31 TYR middle . . 32 A 32 LYS middle . . 33 A 33 SER middle . . 34 A 34 CYS middle . . 35 A 35 GLY middle . false 36 A 36 ILE middle . . 37 A 37 GLN middle . . 38 A 38 GLU middle . . 39 A 39 GLU middle . . 40 A 40 CYS middle . . 41 A 41 GLU middle . . 42 A 42 ASP middle . . 43 A 43 ALA middle . . 44 A 44 GLU middle . . 45 A 45 GLY middle . false 46 A 46 ALA middle . . 47 A 47 THR middle . . 48 A 48 VAL middle . . 49 A 49 LEU middle . . 50 A 50 CYS middle -HG . 51 A 51 CYS middle . . 52 A 52 PRO middle . false 53 A 53 GLU middle . . 54 A 54 ASP middle . . 55 A 55 LEU middle . . 56 A 56 CYS middle . . 57 A 57 ASN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LEU HA H 1 4.369 0.002 A 1 LEU HBx H 1 1.474 0.003 A 1 LEU HBy H 1 1.474 0.003 A 1 LEU HDx% H 1 0.835 0.001 A 1 LEU HDy% H 1 0.613 0.000 A 1 LEU HG H 1 1.456 0.000 A 1 LEU CA C 13 54.553 0.000 A 1 LEU CB C 13 43.067 0.000 A 1 LEU CG C 13 26.842 0.000 A 2 GLN H H 1 8.383 0.003 A 2 GLN HA H 1 5.398 0.003 A 2 GLN HBy H 1 1.965 0.005 A 2 GLN HBx H 1 1.807 0.003 A 2 GLN HE2x H 1 6.682 0.001 A 2 GLN HE2y H 1 7.469 0.001 A 2 GLN HGx H 1 2.206 0.004 A 2 GLN HGy H 1 2.206 0.004 A 2 GLN C C 13 174.668 0.000 A 2 GLN CA C 13 53.772 0.000 A 2 GLN CB C 13 32.023 0.006 A 2 GLN N N 15 125.663 0.020 A 2 GLN NE2 N 15 110.586 0.032 A 3 CYS H H 1 9.023 0.004 A 3 CYS HA H 1 5.146 0.002 A 3 CYS HBx H 1 2.448 0.004 A 3 CYS HBy H 1 2.918 0.003 A 3 CYS C C 13 174.118 0.000 A 3 CYS CA C 13 51.967 0.000 A 3 CYS N N 15 118.829 0.038 A 4 ASN H H 1 9.225 0.002 A 4 ASN HA H 1 5.032 0.002 A 4 ASN HBx H 1 2.158 0.003 A 4 ASN HBy H 1 2.645 0.005 A 4 ASN HD2x H 1 6.099 0.001 A 4 ASN HD2y H 1 8.015 0.001 A 4 ASN CA C 13 54.360 0.000 A 4 ASN CB C 13 39.627 0.012 A 4 ASN N N 15 119.446 0.028 A 4 ASN ND2 N 15 116.609 0.042 A 5 THR H H 1 7.823 0.004 A 5 THR HA H 1 4.934 0.004 A 5 THR HB H 1 4.557 0.005 A 5 THR HG2% H 1 0.854 0.000 A 5 THR C C 13 176.984 0.000 A 5 THR CA C 13 60.188 0.000 A 5 THR CB C 13 70.286 0.000 A 5 THR N N 15 109.185 0.045 A 6 LEU H H 1 8.958 0.002 A 6 LEU HA H 1 3.973 0.002 A 6 LEU HBy H 1 1.911 0.002 A 6 LEU HBx H 1 1.580 0.001 A 6 LEU HDx% H 1 0.873 0.000 A 6 LEU HDy% H 1 0.624 0.000 A 6 LEU HG H 1 1.754 0.004 A 6 LEU CA C 13 57.624 0.000 A 6 LEU CB C 13 42.892 0.001 A 6 LEU CG C 13 26.943 0.000 A 6 LEU N N 15 123.023 0.026 A 7 ASP H H 1 8.258 0.002 A 7 ASP HA H 1 4.534 0.004 A 7 ASP HBx H 1 2.687 0.005 A 7 ASP HBy H 1 2.858 0.004 A 7 ASP C C 13 176.415 0.000 A 7 ASP CA C 13 53.740 0.000 A 7 ASP CB C 13 40.155 0.003 A 7 ASP N N 15 115.117 0.027 A 8 GLY H H 1 7.669 0.001 A 8 GLY HAx H 1 3.766 0.003 A 8 GLY HAy H 1 4.242 0.004 A 8 GLY C C 13 174.831 0.000 A 8 GLY CA C 13 45.409 0.010 A 8 GLY N N 15 106.811 0.043 A 9 GLY H H 1 7.501 0.002 A 9 GLY HAx H 1 3.804 0.004 A 9 GLY HAy H 1 4.431 0.003 A 9 GLY C C 13 173.522 0.000 A 9 GLY CA C 13 44.078 0.000 A 9 GLY N N 15 109.185 0.028 A 10 THR H H 1 8.115 0.003 A 10 THR HA H 1 5.220 0.002 A 10 THR HB H 1 3.944 0.004 A 10 THR HG2% H 1 1.117 0.001 A 10 THR CA C 13 60.357 0.000 A 10 THR CB C 13 72.680 0.000 A 10 THR N N 15 109.837 0.030 A 11 GLU H H 1 9.133 0.002 A 11 GLU HA H 1 4.626 0.002 A 11 GLU HBx H 1 1.727 0.001 A 11 GLU HBy H 1 1.793 0.002 A 11 GLU HGy H 1 2.127 0.008 A 11 GLU HGx H 1 1.923 0.004 A 11 GLU C C 13 174.150 0.000 A 11 GLU CA C 13 54.669 0.000 A 11 GLU CB C 13 33.344 0.001 A 11 GLU CG C 13 35.408 0.002 A 11 GLU N N 15 121.356 0.011 A 12 GLU H H 1 8.710 0.003 A 12 GLU HA H 1 4.466 0.002 A 12 GLU HBx H 1 2.015 0.002 A 12 GLU HBy H 1 2.223 0.007 A 12 GLU HGx H 1 1.926 0.005 A 12 GLU HGy H 1 1.926 0.005 A 12 GLU C C 13 176.388 0.000 A 12 GLU CA C 13 55.607 0.000 A 12 GLU CB C 13 29.840 0.000 A 12 GLU N N 15 125.546 0.021 A 13 CYS H H 1 8.840 0.002 A 13 CYS HA H 1 4.917 0.002 A 13 CYS HBy H 1 3.199 0.006 A 13 CYS HBx H 1 2.749 0.004 A 13 CYS CA C 13 52.626 0.000 A 13 CYS CB C 13 37.284 0.007 A 13 CYS N N 15 125.853 0.041 A 14 ILE H H 1 8.387 0.009 A 14 ILE HA H 1 4.292 0.001 A 14 ILE HB H 1 1.835 0.001 A 14 ILE HD1% H 1 0.958 0.001 A 14 ILE HG1y H 1 1.834 0.000 A 14 ILE HG1x H 1 1.385 0.003 A 14 ILE HG2% H 1 1.073 0.001 A 14 ILE CA C 13 60.386 0.000 A 14 ILE CD1 C 13 12.740 0.000 A 14 ILE CG1 C 13 27.892 0.009 A 14 ILE CG2 C 13 17.009 0.000 A 14 ILE N N 15 127.700 0.034 A 15 PRO HA H 1 4.429 0.001 A 15 PRO HBx H 1 1.946 0.004 A 15 PRO HBy H 1 2.356 0.002 A 15 PRO HDy H 1 4.202 0.001 A 15 PRO HDx H 1 3.730 0.002 A 15 PRO HGy H 1 2.123 0.001 A 15 PRO HGx H 1 2.053 0.002 A 15 PRO CA C 13 63.787 0.000 A 15 PRO CB C 13 32.406 0.000 A 15 PRO CD C 13 51.892 0.005 A 15 PRO CG C 13 27.744 0.005 A 16 GLY H H 1 8.752 0.001 A 16 GLY HAy H 1 4.287 0.001 A 16 GLY HAx H 1 3.628 0.005 A 16 GLY CA C 13 46.034 0.007 A 16 GLY N N 15 111.774 0.000 A 17 ILE H H 1 7.527 0.002 A 17 ILE HA H 1 3.970 0.003 A 17 ILE HB H 1 1.399 0.001 A 17 ILE HD1% H 1 0.310 0.003 A 17 ILE HG1y H 1 1.132 0.007 A 17 ILE HG1x H 1 0.944 0.006 A 17 ILE HG2% H 1 0.706 0.001 A 17 ILE CA C 13 62.088 0.000 A 17 ILE CB C 13 39.291 0.000 A 17 ILE CD1 C 13 16.604 0.000 A 17 ILE CG1 C 13 26.974 0.001 A 17 ILE CG2 C 13 21.299 0.000 A 17 ILE N N 15 118.758 0.023 A 18 TYR HA H 1 4.700 0.002 A 18 TYR HBy H 1 3.355 0.003 A 18 TYR HBx H 1 2.823 0.000 A 18 TYR HDx H 1 7.037 0.003 A 18 TYR HDy H 1 7.037 0.003 A 18 TYR HEx H 1 6.820 0.003 A 18 TYR HEy H 1 6.820 0.003 A 18 TYR CA C 13 57.373 0.000 A 18 TYR CB C 13 39.765 0.038 A 18 TYR CDy C 13 132.824 0.000 A 18 TYR CEy C 13 118.581 0.000 A 19 ASN H H 1 8.512 0.007 A 19 ASN HA H 1 4.748 0.003 A 19 ASN HBy H 1 3.158 0.005 A 19 ASN HBx H 1 2.791 0.001 A 19 ASN HD2x H 1 7.099 0.002 A 19 ASN HD2y H 1 7.433 0.001 A 19 ASN C C 13 174.728 0.000 A 19 ASN CA C 13 52.796 0.000 A 19 ASN CB C 13 39.389 0.030 A 19 ASN N N 15 118.488 0.038 A 19 ASN ND2 N 15 110.698 0.059 A 20 VAL H H 1 8.064 0.002 A 20 VAL HA H 1 4.687 0.002 A 20 VAL HB H 1 2.091 0.001 A 20 VAL HGx% H 1 0.773 0.002 A 20 VAL HGy% H 1 0.508 0.001 A 20 VAL C C 13 173.641 0.000 A 20 VAL CA C 13 60.122 0.000 A 20 VAL CB C 13 36.941 0.000 A 20 VAL CGy C 13 22.864 0.000 A 20 VAL CGx C 13 18.653 0.000 A 20 VAL N N 15 114.324 0.038 A 21 CYS H H 1 9.308 0.002 A 21 CYS HA H 1 5.531 0.005 A 21 CYS HBy H 1 3.115 0.004 A 21 CYS HBx H 1 2.848 0.003 A 21 CYS C C 13 169.343 0.000 A 21 CYS CA C 13 52.500 0.000 A 21 CYS CB C 13 38.420 0.012 A 21 CYS N N 15 117.375 0.027 A 22 VAL H H 1 9.168 0.003 A 22 VAL HA H 1 5.479 0.001 A 22 VAL HB H 1 2.071 0.003 A 22 VAL HGx% H 1 0.982 0.003 A 22 VAL HGy% H 1 0.982 0.003 A 22 VAL CA C 13 60.604 0.000 A 22 VAL CB C 13 36.237 0.000 A 22 VAL CGx C 13 21.367 0.000 A 22 VAL N N 15 118.966 0.038 A 23 HIS H H 1 9.214 0.005 A 23 HIS HA H 1 5.515 0.003 A 23 HIS HBy H 1 3.394 0.004 A 23 HIS HBx H 1 3.039 0.003 A 23 HIS HD2 H 1 7.029 0.003 A 23 HIS HE1 H 1 7.855 0.006 A 23 HIS CA C 13 54.238 0.000 A 23 HIS CB C 13 34.402 0.005 A 23 HIS CD2 C 13 116.552 0.000 A 23 HIS CE1 C 13 138.624 0.000 A 23 HIS N N 15 127.041 0.026 A 24 TYR H H 1 8.967 0.003 A 24 TYR HA H 1 4.623 0.001 A 24 TYR HBy H 1 2.068 0.005 A 24 TYR HBx H 1 1.533 0.003 A 24 TYR HDx H 1 6.664 0.000 A 24 TYR HDy H 1 6.664 0.000 A 24 TYR HEx H 1 6.655 0.000 A 24 TYR HEy H 1 6.655 0.000 A 24 TYR CA C 13 56.650 0.000 A 24 TYR CB C 13 41.048 0.017 A 24 TYR CDy C 13 133.577 0.000 A 24 TYR CEy C 13 117.480 0.000 A 24 TYR N N 15 132.376 0.043 A 25 LYS H H 1 8.028 0.004 A 25 LYS HA H 1 4.829 0.004 A 25 LYS HBy H 1 1.557 0.002 A 25 LYS HBx H 1 1.199 0.002 A 25 LYS HDy H 1 1.625 0.002 A 25 LYS HDx H 1 1.449 0.002 A 25 LYS HEy H 1 2.898 0.003 A 25 LYS HEx H 1 2.855 0.003 A 25 LYS HGy H 1 1.204 0.000 A 25 LYS HGx H 1 1.157 0.000 A 25 LYS C C 13 173.479 0.000 A 25 LYS CA C 13 56.248 0.000 A 25 LYS CB C 13 36.269 0.001 A 25 LYS CD C 13 29.550 0.005 A 25 LYS CE C 13 42.325 0.001 A 25 LYS CG C 13 25.350 0.010 A 26 SER H H 1 9.314 0.004 A 26 SER HA H 1 4.959 0.004 A 26 SER HBy H 1 4.439 0.006 A 26 SER HBx H 1 3.841 0.004 A 26 SER C C 13 174.081 0.000 A 26 SER CA C 13 56.012 0.000 A 26 SER CB C 13 66.581 0.011 A 26 SER N N 15 125.633 0.048 A 27 GLU H H 1 8.848 0.002 A 27 GLU HA H 1 4.076 0.001 A 27 GLU HBx H 1 2.044 0.003 A 27 GLU HBy H 1 2.044 0.003 A 27 GLU HGx H 1 2.332 0.003 A 27 GLU HGy H 1 2.332 0.003 A 27 GLU CA C 13 59.149 0.000 A 27 GLU CB C 13 29.512 0.000 A 27 GLU CG C 13 34.073 0.000 A 27 GLU N N 15 118.790 0.026 A 28 ASP H H 1 8.145 0.002 A 28 ASP HA H 1 4.818 0.003 A 28 ASP HBy H 1 2.746 0.003 A 28 ASP HBx H 1 2.586 0.005 A 28 ASP C C 13 175.500 0.000 A 28 ASP CA C 13 54.565 0.000 A 28 ASP CB C 13 43.282 0.000 A 28 ASP N N 15 114.555 0.013 A 29 GLU H H 1 7.774 0.002 A 29 GLU HA H 1 4.785 0.008 A 29 GLU HBx H 1 2.094 0.006 A 29 GLU HBy H 1 2.094 0.006 A 29 GLU HGx H 1 2.244 0.003 A 29 GLU HGy H 1 2.244 0.003 A 29 GLU C C 13 173.282 0.000 A 29 GLU CA C 13 55.671 0.000 A 29 GLU CB C 13 33.870 0.000 A 29 GLU CG C 13 36.154 0.000 A 29 GLU N N 15 119.483 0.019 A 30 GLU H H 1 8.419 0.003 A 30 GLU HA H 1 5.483 0.002 A 30 GLU HBx H 1 1.980 0.004 A 30 GLU HBy H 1 2.147 0.003 A 30 GLU HGy H 1 2.828 0.003 A 30 GLU HGx H 1 2.308 0.004 A 30 GLU C C 13 174.486 0.000 A 30 GLU CA C 13 55.052 0.000 A 30 GLU CB C 13 32.853 0.010 A 30 GLU CG C 13 36.616 0.047 A 30 GLU N N 15 122.376 0.027 A 31 TYR H H 1 9.089 0.001 A 31 TYR HA H 1 4.990 0.001 A 31 TYR HBy H 1 3.232 0.002 A 31 TYR HBx H 1 3.090 0.002 A 31 TYR HDx H 1 6.688 0.000 A 31 TYR HDy H 1 6.688 0.000 A 31 TYR HEx H 1 6.262 0.003 A 31 TYR HEy H 1 6.262 0.003 A 31 TYR C C 13 173.240 0.000 A 31 TYR CA C 13 57.358 0.000 A 31 TYR CB C 13 40.759 0.002 A 31 TYR CDy C 13 133.509 0.000 A 31 TYR CEy C 13 118.697 0.000 A 31 TYR N N 15 119.914 0.026 A 32 LYS H H 1 8.643 0.003 A 32 LYS HA H 1 5.456 0.003 A 32 LYS HBy H 1 1.742 0.004 A 32 LYS HBx H 1 1.288 0.006 A 32 LYS CA C 13 55.934 0.000 A 32 LYS CB C 13 37.342 0.039 A 32 LYS N N 15 121.363 0.034 A 33 SER H H 1 8.151 0.002 A 33 SER HA H 1 4.599 0.003 A 33 SER HBy H 1 4.183 0.004 A 33 SER HBx H 1 3.884 0.005 A 33 SER C C 13 174.210 0.000 A 33 SER CA C 13 58.123 0.000 A 33 SER CB C 13 66.263 0.004 A 33 SER N N 15 113.477 0.038 A 34 CYS H H 1 8.652 0.002 A 34 CYS HA H 1 5.294 0.002 A 34 CYS HBy H 1 2.757 0.004 A 34 CYS HBx H 1 2.398 0.005 A 34 CYS C C 13 175.636 0.000 A 34 CYS CA C 13 58.728 0.000 A 34 CYS CB C 13 45.514 0.000 A 34 CYS N N 15 118.998 0.037 A 35 GLY H H 1 9.451 0.002 A 35 GLY HAx H 1 3.769 0.007 A 35 GLY HAy H 1 4.567 0.004 A 35 GLY CA C 13 45.922 0.004 A 35 GLY N N 15 112.013 0.028 A 36 ILE H H 1 8.576 0.003 A 36 ILE HA H 1 4.851 0.005 A 36 ILE HB H 1 1.833 0.002 A 36 ILE HD1% H 1 0.766 0.002 A 36 ILE HG1y H 1 1.397 0.002 A 36 ILE HG1x H 1 1.091 0.003 A 36 ILE HG2% H 1 1.015 0.002 A 36 ILE CA C 13 59.877 0.000 A 36 ILE CD1 C 13 13.689 0.000 A 36 ILE CG1 C 13 27.233 0.020 A 36 ILE CG2 C 13 18.690 0.000 A 36 ILE N N 15 118.738 0.031 A 37 GLN HA H 1 3.947 0.000 A 37 GLN HBy H 1 2.127 0.003 A 37 GLN HBx H 1 2.028 0.000 A 37 GLN HE2x H 1 6.808 0.005 A 37 GLN HE2y H 1 7.479 0.004 A 37 GLN HGy H 1 2.345 0.004 A 37 GLN HGx H 1 2.267 0.005 A 37 GLN CB C 13 28.265 0.008 A 37 GLN CD C 13 179.344 0.000 A 37 GLN CG C 13 33.310 0.004 A 37 GLN NE2 N 15 112.126 0.041 A 38 GLU H H 1 9.140 0.001 A 38 GLU HA H 1 4.054 0.001 A 38 GLU HBx H 1 2.029 0.000 A 38 GLU HBy H 1 2.029 0.000 A 38 GLU HGx H 1 2.431 0.005 A 38 GLU HGy H 1 2.431 0.005 A 38 GLU C C 13 177.610 0.000 A 38 GLU CA C 13 59.831 0.000 A 38 GLU CG C 13 37.447 0.039 A 38 GLU N N 15 117.838 0.033 A 39 GLU H H 1 7.933 0.001 A 39 GLU HA H 1 4.362 0.002 A 39 GLU HBx H 1 2.216 0.001 A 39 GLU HBy H 1 2.216 0.001 A 39 GLU HGx H 1 2.361 0.002 A 39 GLU HGy H 1 2.361 0.002 A 39 GLU C C 13 177.387 0.000 A 39 GLU CA C 13 57.157 0.000 A 39 GLU CB C 13 29.808 0.000 A 39 GLU N N 15 117.727 0.028 A 40 CYS H H 1 7.745 0.003 A 40 CYS HA H 1 4.372 0.004 A 40 CYS HBy H 1 3.458 0.004 A 40 CYS HBx H 1 3.233 0.002 A 40 CYS C C 13 174.430 0.000 A 40 CYS CA C 13 58.787 0.000 A 40 CYS CB C 13 44.304 0.000 A 40 CYS N N 15 117.847 0.022 A 41 GLU H H 1 7.680 0.002 A 41 GLU HA H 1 4.338 0.002 A 41 GLU HBx H 1 1.926 0.002 A 41 GLU HBy H 1 2.062 0.003 A 41 GLU HGx H 1 2.226 0.007 A 41 GLU HGy H 1 2.301 0.001 A 41 GLU CA C 13 56.224 0.000 A 41 GLU CB C 13 31.100 0.004 A 41 GLU N N 15 120.521 0.023 A 42 ASP H H 1 8.254 0.003 A 42 ASP HA H 1 4.592 0.002 A 42 ASP HBy H 1 2.770 0.002 A 42 ASP HBx H 1 2.606 0.003 A 42 ASP CA C 13 54.574 0.000 A 42 ASP CB C 13 41.194 0.002 A 42 ASP N N 15 121.236 0.029 A 43 ALA H H 1 8.104 0.005 A 43 ALA HA H 1 4.480 0.002 A 43 ALA HB% H 1 1.395 0.005 A 43 ALA CA C 13 51.986 0.000 A 43 ALA CB C 13 20.651 0.000 A 43 ALA N N 15 124.610 0.015 A 44 GLU H H 1 8.565 0.002 A 44 GLU HA H 1 4.227 0.004 A 44 GLU HBx H 1 2.027 0.000 A 44 GLU HBy H 1 2.027 0.000 A 44 GLU HGx H 1 2.269 0.000 A 44 GLU HGy H 1 2.269 0.000 A 44 GLU CA C 13 57.213 0.000 A 44 GLU N N 15 121.280 0.025 A 45 GLY H H 1 8.749 0.003 A 45 GLY HAy H 1 4.072 0.005 A 45 GLY HAx H 1 3.814 0.002 A 45 GLY CA C 13 45.797 0.020 A 45 GLY N N 15 111.878 0.024 A 46 ALA H H 1 7.818 0.003 A 46 ALA HA H 1 4.556 0.004 A 46 ALA HB% H 1 0.851 0.001 A 46 ALA CA C 13 51.249 0.000 A 46 ALA CB C 13 21.348 0.000 A 46 ALA N N 15 122.249 0.028 A 47 THR H H 1 8.387 0.003 A 47 THR HA H 1 4.305 0.002 A 47 THR HB H 1 3.830 0.003 A 47 THR HG2% H 1 1.044 0.006 A 47 THR CA C 13 61.924 0.000 A 47 THR N N 15 116.571 0.035 A 48 VAL H H 1 8.695 0.004 A 48 VAL HA H 1 4.633 0.005 A 48 VAL HB H 1 1.970 0.001 A 48 VAL HGx% H 1 0.965 0.004 A 48 VAL HGy% H 1 0.837 0.002 A 48 VAL CB C 13 34.335 0.000 A 48 VAL CGy C 13 22.270 0.000 A 48 VAL CGx C 13 22.117 0.000 A 48 VAL N N 15 127.683 0.034 A 49 LEU H H 1 8.594 0.004 A 49 LEU HA H 1 4.722 0.003 A 49 LEU HBy H 1 1.747 0.000 A 49 LEU HBx H 1 1.707 0.009 A 49 LEU HDx% H 1 0.933 0.001 A 49 LEU HDy% H 1 0.933 0.001 A 49 LEU HG H 1 1.481 0.002 A 49 LEU CA C 13 53.810 0.000 A 49 LEU CB C 13 44.590 0.010 A 49 LEU CDx C 13 24.979 0.000 A 49 LEU CDy C 13 24.980 0.000 A 49 LEU CG C 13 27.602 0.000 A 49 LEU N N 15 129.662 0.052 A 50 CYS H H 1 8.910 0.003 A 50 CYS HA H 1 5.739 0.003 A 50 CYS HBy H 1 3.357 0.005 A 50 CYS HBx H 1 2.861 0.012 A 50 CYS CA C 13 54.289 0.000 A 50 CYS CB C 13 46.424 0.022 A 50 CYS N N 15 123.551 0.036 A 51 CYS H H 1 9.281 0.004 A 51 CYS HA H 1 5.369 0.002 A 51 CYS HBx H 1 3.193 0.008 A 51 CYS HBy H 1 3.552 0.002 A 51 CYS CA C 13 51.599 0.000 A 51 CYS CB C 13 45.504 0.000 A 51 CYS N N 15 119.604 0.037 A 52 PRO HA H 1 4.978 0.002 A 52 PRO HBx H 1 2.061 0.005 A 52 PRO HBy H 1 2.364 0.003 A 52 PRO HDy H 1 3.932 0.002 A 52 PRO HDx H 1 3.834 0.002 A 52 PRO HGy H 1 2.197 0.003 A 52 PRO HGx H 1 1.962 0.003 A 52 PRO C C 13 175.082 0.000 A 52 PRO CA C 13 64.434 0.000 A 52 PRO CB C 13 32.434 0.005 A 52 PRO CD C 13 49.987 0.001 A 52 PRO CG C 13 26.671 0.010 A 53 GLU H H 1 7.232 0.002 A 53 GLU HA H 1 4.551 0.002 A 53 GLU HBx H 1 1.865 0.006 A 53 GLU HBy H 1 2.030 0.005 A 53 GLU HGy H 1 2.313 0.005 A 53 GLU HGx H 1 2.214 0.005 A 53 GLU C C 13 174.317 0.000 A 53 GLU CA C 13 55.705 0.000 A 53 GLU CB C 13 32.075 0.002 A 53 GLU N N 15 121.348 0.020 A 54 ASP H H 1 8.230 0.002 A 54 ASP HA H 1 4.870 0.006 A 54 ASP HBy H 1 2.495 0.002 A 54 ASP HBx H 1 2.438 0.001 A 54 ASP C C 13 177.950 0.000 A 54 ASP CA C 13 55.550 0.000 A 54 ASP CB C 13 41.587 0.003 A 54 ASP N N 15 118.893 0.045 A 55 LEU H H 1 9.462 0.001 A 55 LEU HA H 1 3.690 0.003 A 55 LEU HBy H 1 2.049 0.002 A 55 LEU HBx H 1 1.592 0.003 A 55 LEU HDx% H 1 0.877 0.007 A 55 LEU HDy% H 1 0.580 0.002 A 55 LEU HG H 1 1.315 0.003 A 55 LEU C C 13 176.734 0.000 A 55 LEU CA C 13 55.646 0.000 A 55 LEU CB C 13 37.694 0.005 A 55 LEU CDy C 13 24.656 0.000 A 55 LEU CDx C 13 22.268 0.000 A 55 LEU CG C 13 27.132 0.000 A 55 LEU N N 15 113.945 0.034 A 56 CYS H H 1 7.647 0.001 A 56 CYS HA H 1 4.514 0.002 A 56 CYS HBy H 1 3.449 0.002 A 56 CYS HBx H 1 3.202 0.002 A 56 CYS CA C 13 56.921 0.000 A 56 CYS CB C 13 46.728 0.000 A 56 CYS N N 15 112.784 0.025 A 57 ASN H H 1 8.907 0.002 A 57 ASN HA H 1 4.325 0.004 A 57 ASN HBy H 1 2.675 0.003 A 57 ASN HBx H 1 2.387 0.006 A 57 ASN HD2x H 1 7.440 0.002 A 57 ASN HD2y H 1 7.630 0.001 A 57 ASN CA C 13 54.549 0.000 A 57 ASN CB C 13 38.921 0.002 A 57 ASN N N 15 125.466 0.031 A 57 ASN ND2 N 15 115.294 0.040 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 8 GLY H A 8 GLY HAy 1.0 . 2.93 2 2 A 8 GLY H A 8 GLY HAx 1.0 . 2.93 3 3 A 8 GLY H A 7 ASP H 1.0 . 3.02 4 4 A 7 ASP H A 5 THR HB 1.0 . 2.74 5 5 A 7 ASP H A 7 ASP HBy 1.0 . 3.27 6 6 A 7 ASP H A 7 ASP HBx 1.0 . 3.27 7 7 A 7 ASP H A 8 GLY HAx 1.0 . 5.49 8 8 A 8 GLY H A 9 GLY H 1.0 . 2.77 9 9 A 7 ASP H A 9 GLY H 1.0 . 3.72 10 10 A 8 GLY H A 7 ASP HA 1.0 . 3.32 11 11 A 7 ASP H A 6 LEU H 1.0 . 3.14 12 12 A 7 ASP H A 6 LEU HA 1.0 . 3.50 13 13 A 6 LEU H A 32 LYS H 1.0 . 3.91 14 14 A 9 GLY H A 10 THR H 1.0 . 4.55 15 15 A 11 GLU H A 12 GLU H 1.0 . 4.57 16 16 A 11 GLU H A 11 GLU HGx 1.0 . 3.29 17 17 A 12 GLU H A 11 GLU HA 1.0 . 2.40 18 18 A 12 GLU HA A 13 CYS H 1.0 . 2.58 19 19 A 13 CYS H A 13 CYS HBy 1.0 . 3.11 20 20 A 13 CYS H A 13 CYS HBx 1.0 . 3.65 21 21 A 13 CYS H A 14 ILE H 1.0 . 5.07 22 22 A 38 GLU H A 39 GLU H 1.0 . 3.00 23 23 A 4 ASN H A 55 LEU H 1.0 . 5.04 24 24 A 4 ASN HD2x A 57 ASN H 1.0 . 3.80 25 25 A 57 ASN H A 56 CYS H 1.0 . 3.25 26 26 A 20 VAL H A 35 GLY H 1.0 . 4.05 27 27 A 35 GLY H A 18 TYR HD% 1.0 . 4.78 28 28 A 35 GLY H A 22 VAL H 1.0 . 5.29 29 29 A 4 ASN H A 5 THR H 1.0 . 4.78 30 30 A 11 GLU H A 5 THR H 1.0 . 4.85 31 31 A 6 LEU H A 5 THR HA 1.0 . 3.06 32 32 A 6 LEU H A 5 THR H 1.0 . 5.06 33 33 A 4 ASN H A 4 ASN HBy 1.0 . 3.67 34 34 A 4 ASN H A 4 ASN HBx 1.0 . 3.06 35 35 A 4 ASN H A 32 LYS HBx 1.0 . 5.15 36 36 A 55 LEU H A 55 LEU HA 1.0 . 2.67 37 37 A 4 ASN H A 55 LEU HA 1.0 . 3.44 38 38 A 23 HIS HD2 A 24 TYR H 1.0 . 2.94 39 39 A 24 TYR H A 31 TYR HD% 1.0 . 4.42 40 40 A 42 ASP H A 42 ASP HBy 1.0 . 3.41 41 41 A 42 ASP H A 42 ASP HBx 1.0 . 3.41 42 42 A 44 GLU H A 44 GLU HBx 1.0 . 2.99 43 42 A 44 GLU H A 44 GLU HBy 1.0 . 2.99 44 43 A 43 ALA H A 42 ASP HBy 1.0 . 4.64 45 44 A 43 ALA H A 42 ASP HBx 1.0 . 4.64 46 45 A 43 ALA H A 43 ALA HB% 1.0 . 3.00 47 46 A 42 ASP H A 41 GLU H 1.0 . 3.87 48 47 A 41 GLU H A 41 GLU HBx 1.0 . 3.17 49 48 A 41 GLU H A 41 GLU HBy 1.0 . 3.17 50 49 A 40 CYS H A 40 CYS HBy 1.0 . 2.98 51 50 A 40 CYS H A 40 CYS HBx 1.0 . 3.51 52 51 A 40 CYS H A 39 GLU HGx 1.0 . 4.41 53 51 A 40 CYS H A 39 GLU HGy 1.0 . 4.41 54 52 A 39 GLU H A 39 GLU HGx 1.0 . 3.06 55 52 A 39 GLU H A 39 GLU HGy 1.0 . 3.06 56 53 A 39 GLU H A 39 GLU HBx 1.0 . 2.55 57 53 A 39 GLU H A 39 GLU HBy 1.0 . 2.55 58 54 A 39 GLU H A 40 CYS HBy 1.0 . 4.26 59 55 A 44 GLU H A 43 ALA H 1.0 . 4.62 60 56 A 44 GLU H A 43 ALA HB% 1.0 . 3.68 61 57 A 35 GLY H A 34 CYS HA 1.0 . 2.85 62 58 A 20 VAL HA A 21 CYS H 1.0 . 3.00 63 59 A 21 CYS H A 20 VAL HB 1.0 . 2.98 64 60 A 21 CYS H A 20 VAL HGx% 1.0 . 3.72 65 61 A 38 GLU H A 38 GLU HGx 1.0 . 4.17 66 61 A 38 GLU H A 38 GLU HGy 1.0 . 4.17 67 62 A 32 LYS HA A 33 SER H 1.0 . 2.60 68 63 A 22 VAL H A 33 SER H 1.0 . 4.08 69 64 A 45 GLY H A 46 ALA H 1.0 . 4.86 70 65 A 47 THR H A 48 VAL H 1.0 . 4.73 71 66 A 26 SER H A 27 GLU H 1.0 . 5.10 72 67 A 30 GLU HA A 31 TYR H 1.0 . 2.43 73 68 A 31 TYR H A 31 TYR HBx 1.0 . 3.79 74 69 A 31 TYR H A 31 TYR HBy 1.0 . 4.10 75 70 A 31 TYR H A 30 GLU H 1.0 . 4.12 76 71 A 30 GLU H A 29 GLU HA 1.0 . 2.55 77 72 A 31 TYR H A 30 GLU HGy 1.0 . 3.42 78 73 A 26 SER HA A 29 GLU H 1.0 . 4.57 79 74 A 29 GLU H A 27 GLU HA 1.0 . 4.42 80 75 A 29 GLU H A 29 GLU HBx 1.0 . 3.20 81 75 A 29 GLU H A 29 GLU HBy 1.0 . 3.20 82 76 A 28 ASP H A 28 ASP HA 1.0 . 2.94 83 77 A 27 GLU H A 27 GLU HGx 1.0 . 3.04 84 77 A 27 GLU H A 27 GLU HGy 1.0 . 3.04 85 78 A 27 GLU H A 27 GLU HBx 1.0 . 2.69 86 78 A 27 GLU H A 27 GLU HBy 1.0 . 2.69 87 79 A 32 LYS H A 31 TYR H 1.0 . 4.51 88 80 A 32 LYS H A 33 SER H 1.0 . 4.84 89 81 A 33 SER H A 34 CYS H 1.0 . 5.19 90 82 A 27 GLU H A 26 SER HA 1.0 . 2.78 91 83 A 34 CYS H A 33 SER HA 1.0 . 3.00 92 84 A 34 CYS H A 34 CYS HBy 1.0 . 3.68 93 85 A 34 CYS H A 34 CYS HBx 1.0 . 3.68 94 86 A 32 LYS H A 31 TYR HA 1.0 . 3.20 95 87 A 32 LYS H A 31 TYR HBy 1.0 . 3.68 96 88 A 35 GLY H A 36 ILE H 1.0 . 4.08 97 89 A 36 ILE H A 35 GLY HAy 1.0 . 2.66 98 90 A 36 ILE H A 36 ILE HB 1.0 . 3.70 99 91 A 26 SER H A 26 SER HBy 1.0 . 4.12 100 92 A 26 SER H A 26 SER HBx 1.0 . 4.12 101 93 A 55 LEU H A 56 CYS H 1.0 . 3.31 102 94 A 56 CYS H A 3 CYS HA 1.0 . 4.51 103 95 A 56 CYS H A 54 ASP HA 1.0 . 4.20 104 96 A 47 THR H A 46 ALA HA 1.0 . 2.81 105 97 A 46 ALA H A 47 THR H 1.0 . 4.73 106 98 A 46 ALA H A 46 ALA HB% 1.0 . 3.31 107 99 A 47 THR H A 47 THR HB 1.0 . 3.27 108 100 A 47 THR H A 47 THR HG2% 1.0 . 4.09 109 101 A 47 THR H A 46 ALA HB% 1.0 . 3.01 110 102 A 48 VAL H A 47 THR HA 1.0 . 2.41 111 103 A 48 VAL H A 47 THR HB 1.0 . 4.32 112 104 A 48 VAL H A 48 VAL HB 1.0 . 3.14 113 105 A 39 GLU H A 36 ILE H 1.0 . 4.14 114 106 A 38 GLU H A 40 CYS H 1.0 . 4.63 115 107 A 17 ILE H A 17 ILE HG1x 1.0 . 3.94 116 108 A 3 CYS H A 10 THR HB 1.0 . 4.74 117 109 A 20 VAL H A 18 TYR HA 1.0 . 3.51 118 110 A 35 GLY H A 18 TYR HA 1.0 . 4.93 119 111 A 22 VAL HB A 23 HIS H 1.0 . 4.54 120 112 A 24 TYR H A 23 HIS HA 1.0 . 2.59 121 113 A 24 TYR H A 25 LYS H 1.0 . 4.52 122 114 A 24 TYR H A 23 HIS H 1.0 . 4.42 123 115 A 24 TYR H A 22 VAL HGx% 1.0 . 3.55 124 115 A 24 TYR H A 22 VAL HGy% 1.0 . 3.55 125 116 A 21 CYS H A 21 CYS HBx 1.0 . 3.80 126 117 A 49 LEU HA A 50 CYS H 1.0 . 2.64 127 118 A 50 CYS H A 49 LEU H 1.0 . 4.69 128 119 A 50 CYS H A 49 LEU HG 1.0 . 3.78 129 120 A 50 CYS H A 49 LEU HDx% 1.0 . 4.02 130 121 A 50 CYS H A 49 LEU HDy% 1.0 . 4.02 131 122 A 4 ASN H A 4 ASN HD2x 1.0 . 3.94 132 123 A 4 ASN H A 4 ASN HD2y 1.0 . 4.12 133 124 A 5 THR HB A 6 LEU H 1.0 . 2.79 134 125 A 7 ASP H A 32 LYS H 1.0 . 5.36 135 126 A 55 LEU H A 54 ASP H 1.0 . 4.61 136 127 A 14 ILE H A 14 ILE HG1x 1.0 . 3.94 137 128 A 50 CYS H A 50 CYS HBx 1.0 . 3.49 138 129 A 50 CYS H A 50 CYS HBy 1.0 . 3.95 139 130 A 18 TYR HD% A 36 ILE H 1.0 . 4.64 140 131 A 40 CYS HBy A 37 GLN HE2y 1.0 . 5.11 141 132 A 40 CYS HBx A 37 GLN HE2y 1.0 . 5.01 142 133 A 43 ALA HB% A 48 VAL H 1.0 . 5.50 143 134 A 4 ASN H A 3 CYS HA 1.0 . 2.86 144 135 A 50 CYS HA A 51 CYS H 1.0 . 2.85 145 136 A 50 CYS H A 51 CYS H 1.0 . 4.88 146 137 A 50 CYS HBx A 51 CYS H 1.0 . 4.09 147 138 A 50 CYS HBy A 51 CYS H 1.0 . 4.27 148 139 A 52 PRO HDy A 53 GLU H 1.0 . 2.95 149 140 A 53 GLU H A 52 PRO HDx 1.0 . 4.13 150 141 A 53 GLU H A 51 CYS HBy 1.0 . 3.28 151 142 A 53 GLU H A 56 CYS HBy 1.0 . 4.04 152 143 A 53 GLU H A 51 CYS HBx 1.0 . 3.28 153 144 A 53 GLU H A 52 PRO HGy 1.0 . 3.24 154 145 A 54 ASP H A 53 GLU H 1.0 . 4.57 155 146 A 55 LEU H A 54 ASP HA 1.0 . 2.53 156 147 A 3 CYS H A 3 CYS HBy 1.0 . 3.98 157 148 A 3 CYS H A 3 CYS HBx 1.0 . 3.21 158 149 A 13 CYS H A 1 LEU HBx 1.0 . 3.94 159 149 A 13 CYS H A 1 LEU HBy 1.0 . 3.94 160 150 A 13 CYS H A 2 GLN HA 1.0 . 3.14 161 151 A 26 SER H A 29 GLU H 1.0 . 3.83 162 152 A 26 SER H A 24 TYR HD% 1.0 . 3.79 163 153 A 26 SER H A 24 TYR HE% 1.0 . 4.14 164 154 A 26 SER H A 30 GLU HA 1.0 . 4.18 165 155 A 26 SER H A 25 LYS HA 1.0 . 2.91 166 156 A 4 ASN H A 56 CYS H 1.0 . 5.50 167 157 A 56 CYS H A 2 GLN H 1.0 . 5.50 168 158 A 56 CYS H A 21 CYS HBy 1.0 . 4.87 169 159 A 24 TYR H A 25 LYS HA 1.0 . 5.45 170 160 A 24 TYR H A 23 HIS HBy 1.0 . 4.47 171 161 A 24 TYR H A 23 HIS HBx 1.0 . 4.47 172 162 A 24 TYR H A 24 TYR HBy 1.0 . 3.07 173 163 A 24 TYR H A 24 TYR HBx 1.0 . 3.01 174 164 A 22 VAL H A 34 CYS HA 1.0 . 4.81 175 165 A 22 VAL H A 21 CYS HBx 1.0 . 4.13 176 166 A 22 VAL H A 21 CYS HBy 1.0 . 3.53 177 167 A 21 CYS H A 20 VAL HGy% 1.0 . 3.80 178 168 A 21 CYS H A 22 VAL HGx% 1.0 . 5.50 179 168 A 21 CYS H A 22 VAL HGy% 1.0 . 5.50 180 169 A 20 VAL H A 37 GLN HA 1.0 . 5.50 181 170 A 20 VAL H A 35 GLY HAy 1.0 . 5.14 182 171 A 20 VAL H A 18 TYR HBx 1.0 . 4.22 183 172 A 20 VAL H A 19 ASN HBy 1.0 . 4.56 184 173 A 20 VAL H A 19 ASN HBx 1.0 . 4.56 185 174 A 20 VAL H A 20 VAL HB 1.0 . 3.74 186 175 A 20 VAL H A 20 VAL HGx% 1.0 . 3.32 187 176 A 20 VAL H A 20 VAL HGy% 1.0 . 2.74 188 177 A 5 THR H A 4 ASN HBy 1.0 . 3.06 189 178 A 5 THR H A 4 ASN HBx 1.0 . 3.97 190 179 A 3 CYS H A 2 GLN HA 1.0 . 2.67 191 180 A 2 GLN H A 1 LEU HA 1.0 . 2.55 192 181 A 54 ASP HA A 2 GLN H 1.0 . 2.95 193 182 A 2 GLN H A 1 LEU HBx 1.0 . 3.34 194 182 A 1 LEU HBy A 2 GLN H 1.0 . 3.34 195 183 A 2 GLN H A 1 LEU HDx% 1.0 . 3.25 196 184 A 2 GLN H A 1 LEU HDy% 1.0 . 3.25 197 185 A 57 ASN H A 4 ASN HD2y 1.0 . 4.00 198 186 A 57 ASN H A 56 CYS HBy 1.0 . 4.25 199 187 A 57 ASN H A 21 CYS HBx 1.0 . 4.69 200 188 A 55 LEU H A 3 CYS HA 1.0 . 3.41 201 189 A 56 CYS H A 56 CYS HBy 1.0 . 3.38 202 190 A 56 CYS H A 55 LEU HBy 1.0 . 4.41 203 191 A 56 CYS H A 55 LEU HBx 1.0 . 4.37 204 192 A 2 GLN H A 2 GLN HGx 1.0 . 4.19 205 192 A 2 GLN H A 2 GLN HGy 1.0 . 4.19 206 193 A 2 GLN H A 2 GLN HBx 1.0 . 3.62 207 194 A 2 GLN H A 2 GLN HBy 1.0 . 3.13 208 195 A 56 CYS H A 57 ASN HA 1.0 . 5.41 209 196 A 56 CYS H A 56 CYS HBx 1.0 . 3.05 210 197 A 56 CYS H A 55 LEU HG 1.0 . 5.39 211 198 A 56 CYS H A 55 LEU HDy% 1.0 . 4.37 212 199 A 17 ILE H A 17 ILE HD1% 1.0 . 4.95 213 200 A 13 CYS H A 2 GLN HGx 1.0 . 4.01 214 200 A 13 CYS H A 2 GLN HGy 1.0 . 4.01 215 201 A 13 CYS H A 12 GLU HBy 1.0 . 4.34 216 202 A 13 CYS H A 2 GLN HBy 1.0 . 5.12 217 203 A 57 ASN H A 57 ASN HBy 1.0 . 3.86 218 204 A 57 ASN H A 57 ASN HBx 1.0 . 3.86 219 205 A 4 ASN H A 57 ASN H 1.0 . 4.16 220 206 A 55 LEU H A 57 ASN H 1.0 . 5.21 221 207 A 57 ASN H A 55 LEU HA 1.0 . 3.93 222 208 A 57 ASN H A 21 CYS HBy 1.0 . 4.16 223 209 A 57 ASN H A 4 ASN HBx 1.0 . 4.83 224 210 A 57 ASN H A 55 LEU HDy% 1.0 . 5.24 225 211 A 19 ASN HD2y A 37 GLN HBy 1.0 . 4.31 226 212 A 19 ASN HD2y A 37 GLN HBx 1.0 . 4.31 227 213 A 17 ILE H A 17 ILE HB 1.0 . 3.64 228 214 A 17 ILE H A 17 ILE HG1y 1.0 . 3.94 229 215 A 2 GLN HE2y A 2 GLN HGx 1.0 . 3.51 230 215 A 2 GLN HGy A 2 GLN HE2y 1.0 . 3.51 231 216 A 24 TYR H A 33 SER H 1.0 . 5.50 232 217 A 31 TYR HD% A 33 SER H 1.0 . 4.20 233 218 A 33 SER H A 31 TYR HE% 1.0 . 5.50 234 219 A 12 GLU H A 12 GLU HGx 1.0 . 2.61 235 219 A 12 GLU H A 12 GLU HGy 1.0 . 2.61 236 220 A 11 GLU H A 11 GLU HBx 1.0 . 3.92 237 221 A 13 CYS H A 12 GLU HGx 1.0 . 4.38 238 221 A 13 CYS H A 12 GLU HGy 1.0 . 4.38 239 222 A 13 CYS H A 12 GLU HBx 1.0 . 4.34 240 223 A 14 ILE H A 14 ILE HG1y 1.0 . 3.94 241 224 A 41 GLU H A 38 GLU HA 1.0 . 4.43 242 225 A 41 GLU H A 40 CYS HBy 1.0 . 3.87 243 226 A 41 GLU H A 40 CYS HBx 1.0 . 3.82 244 227 A 41 GLU H A 48 VAL HGx% 1.0 . 4.68 245 228 A 31 TYR H A 31 TYR HE% 1.0 . 4.85 246 229 A 31 TYR H A 24 TYR HD% 1.0 . 3.06 247 230 A 32 LYS HBx A 57 ASN HD2y 1.0 . 3.48 248 231 A 32 LYS HBx A 57 ASN HD2x 1.0 . 3.48 249 232 A 38 GLU H A 38 GLU HBx 1.0 . 2.49 250 232 A 38 GLU H A 38 GLU HBy 1.0 . 2.49 251 233 A 55 LEU H A 2 GLN H 1.0 . 3.66 252 234 A 3 CYS H A 2 GLN H 1.0 . 4.65 253 235 A 13 CYS H A 2 GLN H 1.0 . 4.55 254 236 A 3 CYS HA A 2 GLN H 1.0 . 4.98 255 237 A 55 LEU HA A 2 GLN H 1.0 . 5.50 256 238 A 2 GLN H A 55 LEU HG 1.0 . 4.99 257 239 A 55 LEU H A 3 CYS H 1.0 . 5.50 258 240 A 11 GLU HA A 3 CYS H 1.0 . 5.50 259 241 A 12 GLU HA A 3 CYS H 1.0 . 3.80 260 242 A 3 CYS H A 2 GLN HGx 1.0 . 3.95 261 242 A 3 CYS H A 2 GLN HGy 1.0 . 3.95 262 243 A 3 CYS H A 2 GLN HBx 1.0 . 3.40 263 244 A 3 CYS H A 1 LEU HBx 1.0 . 5.50 264 244 A 3 CYS H A 1 LEU HBy 1.0 . 5.50 265 245 A 3 CYS H A 10 THR HG2% 1.0 . 5.07 266 246 A 3 CYS H A 55 LEU HDx% 1.0 . 5.50 267 247 A 3 CYS H A 55 LEU HDy% 1.0 . 3.87 268 248 A 4 ASN HD2x A 56 CYS H 1.0 . 4.97 269 249 A 4 ASN HD2x A 4 ASN HA 1.0 . 5.50 270 250 A 4 ASN HD2x A 55 LEU HA 1.0 . 4.23 271 251 A 4 ASN HD2x A 4 ASN HBx 1.0 . 3.19 272 252 A 4 ASN HD2x A 55 LEU HBy 1.0 . 5.09 273 253 A 4 ASN HD2x A 55 LEU HBx 1.0 . 3.65 274 254 A 4 ASN HD2x A 55 LEU HG 1.0 . 5.50 275 255 A 4 ASN HD2x A 55 LEU HDx% 1.0 . 5.14 276 256 A 4 ASN HD2x A 55 LEU HDy% 1.0 . 4.50 277 257 A 56 CYS H A 4 ASN HD2y 1.0 . 5.50 278 258 A 4 ASN HD2y A 57 ASN HA 1.0 . 5.50 279 259 A 4 ASN HBx A 4 ASN HD2y 1.0 . 3.70 280 260 A 4 ASN HD2y A 55 LEU HBy 1.0 . 3.71 281 261 A 4 ASN HD2y A 55 LEU HBx 1.0 . 3.31 282 262 A 4 ASN HD2y A 55 LEU HG 1.0 . 5.50 283 263 A 4 ASN HD2y A 10 THR HG2% 1.0 . 5.34 284 264 A 4 ASN HD2y A 55 LEU HDx% 1.0 . 4.38 285 265 A 4 ASN HD2y A 55 LEU HDy% 1.0 . 4.14 286 266 A 2 GLN HA A 2 GLN HE2x 1.0 . 5.19 287 267 A 2 GLN HA A 2 GLN HE2y 1.0 . 5.50 288 268 A 12 GLU HA A 2 GLN HE2x 1.0 . 5.50 289 269 A 10 THR HB A 2 GLN HE2x 1.0 . 4.52 290 270 A 10 THR HB A 2 GLN HE2y 1.0 . 5.49 291 271 A 2 GLN HE2x A 2 GLN HGx 1.0 . 2.89 292 271 A 2 GLN HGy A 2 GLN HE2x 1.0 . 2.89 293 272 A 2 GLN HBx A 2 GLN HE2x 1.0 . 3.98 294 273 A 2 GLN HBy A 2 GLN HE2x 1.0 . 4.16 295 274 A 2 GLN HBy A 2 GLN HE2y 1.0 . 4.43 296 275 A 55 LEU HG A 2 GLN HE2x 1.0 . 4.89 297 276 A 55 LEU HG A 2 GLN HE2y 1.0 . 5.09 298 277 A 2 GLN HE2y A 10 THR HG2% 1.0 . 4.87 299 278 A 10 THR HG2% A 2 GLN HE2x 1.0 . 4.19 300 279 A 55 LEU HDx% A 2 GLN HE2x 1.0 . 4.04 301 280 A 2 GLN HE2y A 55 LEU HDx% 1.0 . 4.02 302 281 A 55 LEU HDy% A 2 GLN HE2x 1.0 . 4.44 303 282 A 55 LEU HDy% A 2 GLN HE2y 1.0 . 4.47 304 283 A 19 ASN HA A 19 ASN HD2x 1.0 . 4.72 305 284 A 19 ASN HD2x A 36 ILE HG2% 1.0 . 4.99 306 285 A 19 ASN HD2y A 36 ILE HG2% 1.0 . 5.50 307 286 A 20 VAL HGx% A 19 ASN HD2x 1.0 . 4.76 308 287 A 20 VAL HGx% A 19 ASN HD2y 1.0 . 4.85 309 288 A 38 GLU H A 37 GLN HE2x 1.0 . 5.50 310 289 A 37 GLN HA A 37 GLN HE2x 1.0 . 5.23 311 290 A 37 GLN HE2y A 37 GLN HA 1.0 . 4.42 312 291 A 40 CYS HBy A 37 GLN HE2x 1.0 . 5.01 313 292 A 50 CYS HBx A 37 GLN HE2y 1.0 . 5.39 314 293 A 40 CYS HBx A 37 GLN HE2x 1.0 . 5.06 315 294 A 50 CYS HBy A 37 GLN HE2y 1.0 . 5.45 316 295 A 50 CYS HBy A 37 GLN HE2x 1.0 . 5.50 317 296 A 20 VAL HGx% A 37 GLN HE2y 1.0 . 4.73 318 297 A 20 VAL HGx% A 37 GLN HE2x 1.0 . 4.51 319 298 A 37 GLN HE2y A 20 VAL HGy% 1.0 . 5.50 320 299 A 4 ASN H A 3 CYS HBy 1.0 . 3.25 321 300 A 4 ASN H A 3 CYS HBx 1.0 . 3.81 322 301 A 4 ASN H A 55 LEU HBx 1.0 . 5.20 323 302 A 4 ASN H A 10 THR HG2% 1.0 . 4.95 324 303 A 4 ASN H A 55 LEU HDy% 1.0 . 3.50 325 304 A 10 THR H A 5 THR H 1.0 . 5.22 326 305 A 9 GLY H A 5 THR H 1.0 . 4.25 327 306 A 5 THR H A 10 THR HA 1.0 . 3.65 328 307 A 5 THR H A 4 ASN HA 1.0 . 2.47 329 308 A 5 THR HB A 5 THR H 1.0 . 3.83 330 309 A 5 THR H A 32 LYS HBx 1.0 . 5.20 331 310 A 5 THR H A 32 LYS HBy 1.0 . 5.07 332 311 A 5 THR H A 10 THR HG2% 1.0 . 4.30 333 312 A 5 THR H A 55 LEU HDy% 1.0 . 4.94 334 313 A 6 LEU H A 6 LEU HBy 1.0 . 3.65 335 314 A 6 LEU H A 6 LEU HG 1.0 . 3.72 336 315 A 6 LEU H A 6 LEU HBx 1.0 . 2.90 337 316 A 6 LEU H A 32 LYS HBy 1.0 . 3.59 338 317 A 7 ASP H A 5 THR H 1.0 . 5.12 339 318 A 7 ASP H A 5 THR HA 1.0 . 4.28 340 319 A 7 ASP H A 8 GLY HAy 1.0 . 5.49 341 320 A 7 ASP H A 6 LEU HG 1.0 . 4.07 342 321 A 7 ASP H A 6 LEU HBx 1.0 . 4.25 343 322 A 7 ASP H A 32 LYS HBy 1.0 . 5.50 344 323 A 8 GLY H A 6 LEU H 1.0 . 4.86 345 324 A 8 GLY H A 5 THR HA 1.0 . 5.50 346 325 A 8 GLY H A 6 LEU HA 1.0 . 3.91 347 326 A 8 GLY H A 7 ASP HBy 1.0 . 4.88 348 327 A 8 GLY H A 7 ASP HBx 1.0 . 4.88 349 328 A 8 GLY H A 6 LEU HBy 1.0 . 5.25 350 329 A 8 GLY H A 6 LEU HBx 1.0 . 5.44 351 330 A 9 GLY H A 10 THR HA 1.0 . 5.50 352 331 A 9 GLY H A 5 THR HA 1.0 . 5.50 353 332 A 5 THR HB A 9 GLY H 1.0 . 4.78 354 333 A 9 GLY H A 7 ASP HA 1.0 . 5.29 355 334 A 9 GLY H A 10 THR HG2% 1.0 . 5.50 356 335 A 10 THR H A 11 GLU H 1.0 . 4.58 357 336 A 10 THR H A 9 GLY HAy 1.0 . 2.70 358 337 A 10 THR H A 10 THR HB 1.0 . 3.68 359 338 A 10 THR H A 9 GLY HAx 1.0 . 2.70 360 339 A 10 THR H A 10 THR HG2% 1.0 . 3.40 361 340 A 10 THR H A 55 LEU HDy% 1.0 . 5.41 362 341 A 11 GLU H A 2 GLN HA 1.0 . 5.06 363 342 A 11 GLU H A 10 THR HA 1.0 . 2.44 364 343 A 11 GLU H A 4 ASN HA 1.0 . 3.86 365 344 A 11 GLU H A 12 GLU HA 1.0 . 5.09 366 345 A 11 GLU H A 10 THR HB 1.0 . 2.92 367 346 A 11 GLU H A 3 CYS HBy 1.0 . 5.50 368 347 A 11 GLU H A 3 CYS HBx 1.0 . 4.34 369 348 A 11 GLU H A 10 THR HG2% 1.0 . 3.75 370 349 A 11 GLU H A 55 LEU HDy% 1.0 . 3.75 371 350 A 12 GLU H A 3 CYS H 1.0 . 5.02 372 351 A 12 GLU H A 2 GLN HA 1.0 . 5.38 373 352 A 20 VAL H A 18 TYR HD% 1.0 . 5.09 374 353 A 20 VAL H A 21 CYS H 1.0 . 4.51 375 354 A 22 VAL H A 21 CYS HA 1.0 . 2.65 376 355 A 22 VAL H A 22 VAL HB 1.0 . 3.08 377 356 A 22 VAL H A 20 VAL HGy% 1.0 . 5.37 378 357 A 24 TYR H A 31 TYR HE% 1.0 . 5.50 379 358 A 26 SER H A 30 GLU H 1.0 . 5.18 380 359 A 26 SER H A 25 LYS H 1.0 . 5.50 381 360 A 27 GLU H A 24 TYR HE% 1.0 . 5.50 382 361 A 27 GLU H A 28 ASP HBx 1.0 . 5.50 383 362 A 27 GLU H A 28 ASP H 1.0 . 2.87 384 363 A 26 SER H A 28 ASP H 1.0 . 4.85 385 364 A 28 ASP H A 24 TYR HE% 1.0 . 5.26 386 365 A 26 SER HA A 28 ASP H 1.0 . 4.13 387 366 A 28 ASP H A 26 SER HBy 1.0 . 3.56 388 367 A 27 GLU HA A 28 ASP H 1.0 . 3.47 389 368 A 28 ASP H A 26 SER HBx 1.0 . 3.56 390 369 A 28 ASP H A 28 ASP HBy 1.0 . 3.01 391 370 A 28 ASP H A 28 ASP HBx 1.0 . 3.09 392 371 A 28 ASP H A 27 GLU HGx 1.0 . 4.12 393 371 A 28 ASP H A 27 GLU HGy 1.0 . 4.12 394 372 A 29 GLU H A 28 ASP H 1.0 . 2.40 395 373 A 30 GLU H A 29 GLU H 1.0 . 4.45 396 374 A 27 GLU H A 29 GLU H 1.0 . 4.06 397 375 A 29 GLU H A 24 TYR HE% 1.0 . 4.07 398 376 A 30 GLU HA A 29 GLU H 1.0 . 4.97 399 377 A 29 GLU H A 26 SER HBy 1.0 . 3.86 400 378 A 29 GLU H A 26 SER HBx 1.0 . 3.86 401 379 A 29 GLU H A 28 ASP HBy 1.0 . 3.77 402 380 A 29 GLU H A 28 ASP HBx 1.0 . 3.19 403 381 A 31 TYR HD% A 30 GLU H 1.0 . 3.75 404 382 A 31 TYR HBx A 30 GLU H 1.0 . 4.50 405 383 A 30 GLU H A 29 GLU HGx 1.0 . 3.32 406 383 A 30 GLU H A 29 GLU HGy 1.0 . 3.32 407 384 A 30 GLU H A 29 GLU HBx 1.0 . 2.52 408 384 A 30 GLU H A 29 GLU HBy 1.0 . 2.52 409 385 A 23 HIS HD2 A 31 TYR H 1.0 . 4.42 410 386 A 31 TYR H A 24 TYR HA 1.0 . 4.95 411 387 A 31 TYR H A 30 GLU HGx 1.0 . 3.42 412 388 A 31 TYR H A 24 TYR HBx 1.0 . 3.14 413 389 A 33 SER H A 22 VAL HB 1.0 . 3.91 414 390 A 32 LYS HBx A 33 SER H 1.0 . 3.50 415 391 A 33 SER H A 24 TYR HBx 1.0 . 5.50 416 392 A 33 SER H A 22 VAL HGx% 1.0 . 3.14 417 392 A 33 SER H A 22 VAL HGy% 1.0 . 3.14 418 393 A 35 GLY H A 34 CYS H 1.0 . 5.50 419 394 A 34 CYS H A 22 VAL HGx% 1.0 . 5.50 420 394 A 34 CYS H A 22 VAL HGy% 1.0 . 5.50 421 395 A 35 GLY H A 21 CYS HA 1.0 . 4.21 422 396 A 35 GLY H A 18 TYR HBx 1.0 . 5.03 423 397 A 35 GLY H A 20 VAL HB 1.0 . 4.35 424 398 A 35 GLY H A 20 VAL HGx% 1.0 . 5.50 425 399 A 35 GLY H A 20 VAL HGy% 1.0 . 3.49 426 400 A 36 ILE H A 39 GLU HGx 1.0 . 4.33 427 400 A 39 GLU HGy A 36 ILE H 1.0 . 4.33 428 401 A 36 ILE H A 39 GLU HBx 1.0 . 3.46 429 401 A 39 GLU HBy A 36 ILE H 1.0 . 3.46 430 402 A 36 ILE H A 36 ILE HG1x 1.0 . 3.25 431 403 A 36 ILE H A 36 ILE HG1y 1.0 . 3.08 432 404 A 36 ILE H A 36 ILE HD1% 1.0 . 3.62 433 405 A 36 ILE H A 20 VAL HGy% 1.0 . 3.44 434 406 A 38 GLU H A 19 ASN HD2y 1.0 . 5.50 435 407 A 38 GLU H A 36 ILE HB 1.0 . 4.54 436 408 A 38 GLU H A 36 ILE HG1x 1.0 . 4.00 437 409 A 38 GLU H A 36 ILE HD1% 1.0 . 4.15 438 410 A 38 GLU H A 20 VAL HGy% 1.0 . 5.50 439 411 A 39 GLU H A 37 GLN HA 1.0 . 4.37 440 412 A 39 GLU H A 38 GLU HBx 1.0 . 3.06 441 412 A 39 GLU H A 38 GLU HBy 1.0 . 3.06 442 413 A 39 GLU H A 36 ILE HB 1.0 . 3.71 443 414 A 39 GLU H A 36 ILE HG1x 1.0 . 3.16 444 415 A 39 GLU H A 36 ILE HD1% 1.0 . 3.73 445 416 A 39 GLU H A 20 VAL HGy% 1.0 . 4.63 446 417 A 40 CYS H A 38 GLU HA 1.0 . 4.91 447 418 A 40 CYS H A 37 GLN HA 1.0 . 3.86 448 419 A 40 CYS H A 38 GLU HBx 1.0 . 4.93 449 419 A 40 CYS H A 38 GLU HBy 1.0 . 4.93 450 420 A 40 CYS H A 36 ILE HG1x 1.0 . 5.50 451 421 A 40 CYS H A 22 VAL HGx% 1.0 . 5.50 452 421 A 40 CYS H A 22 VAL HGy% 1.0 . 5.50 453 422 A 40 CYS H A 20 VAL HGy% 1.0 . 5.20 454 423 A 41 GLU H A 48 VAL HGy% 1.0 . 4.68 455 424 A 48 VAL H A 47 THR HG2% 1.0 . 3.73 456 425 A 51 CYS H A 52 PRO HDx 1.0 . 5.50 457 426 A 51 CYS H A 53 GLU H 1.0 . 4.79 458 427 A 53 GLU H A 51 CYS HA 1.0 . 4.03 459 428 A 53 GLU H A 52 PRO HA 1.0 . 3.54 460 429 A 53 GLU H A 1 LEU HDx% 1.0 . 5.05 461 430 A 53 GLU H A 1 LEU HDy% 1.0 . 5.05 462 431 A 54 ASP H A 53 GLU HA 1.0 . 2.70 463 432 A 54 ASP H A 1 LEU HA 1.0 . 5.50 464 433 A 54 ASP H A 56 CYS HBy 1.0 . 5.50 465 434 A 54 ASP H A 53 GLU HGy 1.0 . 4.14 466 435 A 54 ASP H A 53 GLU HGx 1.0 . 4.14 467 436 A 54 ASP H A 55 LEU HG 1.0 . 5.50 468 437 A 55 LEU H A 4 ASN HD2x 1.0 . 5.50 469 438 A 55 LEU H A 4 ASN HD2y 1.0 . 5.50 470 439 A 55 LEU H A 56 CYS HA 1.0 . 5.38 471 440 A 55 LEU H A 1 LEU HA 1.0 . 5.50 472 441 A 55 LEU H A 56 CYS HBx 1.0 . 5.39 473 442 A 55 LEU H A 3 CYS HBy 1.0 . 5.50 474 443 A 55 LEU H A 2 GLN HGx 1.0 . 4.97 475 443 A 55 LEU H A 2 GLN HGy 1.0 . 4.97 476 444 A 55 LEU H A 55 LEU HBy 1.0 . 3.78 477 445 A 55 LEU H A 2 GLN HBy 1.0 . 4.80 478 446 A 55 LEU H A 55 LEU HBx 1.0 . 4.03 479 447 A 55 LEU H A 55 LEU HG 1.0 . 3.19 480 448 A 55 LEU H A 10 THR HG2% 1.0 . 5.49 481 449 A 55 LEU H A 55 LEU HDy% 1.0 . 2.89 482 450 A 57 ASN H A 3 CYS HA 1.0 . 5.50 483 451 A 57 ASN H A 56 CYS HBx 1.0 . 4.09 484 452 A 57 ASN H A 55 LEU HBx 1.0 . 5.21 485 453 A 22 VAL H A 22 VAL HGx% 1.0 . 3.23 486 453 A 22 VAL H A 22 VAL HGy% 1.0 . 3.23 487 454 A 44 GLU H A 44 GLU HGx 1.0 . 4.03 488 454 A 44 GLU H A 44 GLU HGy 1.0 . 4.03 489 455 A 20 VAL HB A 37 GLN HE2x 1.0 . 5.50 490 456 A 39 GLU H A 40 CYS HBx 1.0 . 5.50 491 457 A 39 GLU H A 36 ILE HA 1.0 . 4.91 492 458 A 32 LYS H A 6 LEU HBy 1.0 . 4.87 493 459 A 36 ILE H A 36 ILE HG2% 1.0 . 3.48 494 460 A 32 LYS H A 6 LEU HG 1.0 . 5.04 495 461 A 4 ASN H A 55 LEU HDx% 1.0 . 5.50 496 462 A 23 HIS HD2 A 23 HIS HA 1.0 . 3.49 497 463 A 18 TYR HD% A 35 GLY HAy 1.0 . 4.73 498 464 A 13 CYS HBx A 18 TYR HD% 1.0 . 4.41 499 465 A 23 HIS HD2 A 24 TYR HBy 1.0 . 5.15 500 466 A 18 TYR HD% A 17 ILE HB 1.0 . 3.89 501 467 A 18 TYR HD% A 36 ILE HG1y 1.0 . 4.31 502 468 A 18 TYR HD% A 36 ILE HD1% 1.0 . 5.23 503 469 A 18 TYR HD% A 17 ILE HD1% 1.0 . 4.97 504 470 A 35 GLY HAy A 18 TYR HE% 1.0 . 5.50 505 471 A 17 ILE HB A 18 TYR HE% 1.0 . 4.29 506 472 A 18 TYR HE% A 14 ILE HG2% 1.0 . 5.34 507 473 A 36 ILE HG1y A 18 TYR HE% 1.0 . 5.50 508 474 A 18 TYR HE% A 14 ILE HD1% 1.0 . 4.16 509 475 A 18 TYR HE% A 17 ILE HG2% 1.0 . 4.79 510 476 A 17 ILE HD1% A 18 TYR HE% 1.0 . 4.47 511 477 A 32 LYS H A 31 TYR HD% 1.0 . 4.44 512 478 A 31 TYR HD% A 31 TYR H 1.0 . 4.14 513 479 A 24 TYR HD% A 24 TYR HA 1.0 . 4.80 514 480 A 24 TYR HE% A 26 SER HBy 1.0 . 4.20 515 481 A 24 TYR HE% A 26 SER HBx 1.0 . 4.20 516 482 A 31 TYR HD% A 29 GLU HGx 1.0 . 3.47 517 482 A 31 TYR HD% A 29 GLU HGy 1.0 . 3.47 518 483 A 2 GLN HBx A 2 GLN HE2y 1.0 . 4.32 519 484 A 31 TYR HD% A 24 TYR HBx 1.0 . 3.30 520 485 A 31 TYR HE% A 29 GLU HGx 1.0 . 4.34 521 485 A 31 TYR HE% A 29 GLU HGy 1.0 . 4.34 522 486 A 24 TYR HBy A 31 TYR HE% 1.0 . 3.78 523 487 A 24 TYR HBx A 31 TYR HE% 1.0 . 4.17 524 488 A 31 TYR HE% A 22 VAL HGx% 1.0 . 3.90 525 488 A 22 VAL HGy% A 31 TYR HE% 1.0 . 3.90 526 489 A 10 THR HG2% A 10 THR HA 1.0 . 3.57 527 490 A 22 VAL HA A 22 VAL HGx% 1.0 . 3.08 528 490 A 22 VAL HGy% A 22 VAL HA 1.0 . 3.08 529 491 A 21 CYS HA A 22 VAL HGx% 1.0 . 4.17 530 491 A 22 VAL HGy% A 21 CYS HA 1.0 . 4.17 531 492 A 30 GLU HA A 30 GLU HGx 1.0 . 3.77 532 493 A 30 GLU HA A 30 GLU HGy 1.0 . 3.77 533 494 A 21 CYS HBy A 21 CYS HA 1.0 . 2.68 534 495 A 52 PRO HDx A 51 CYS HA 1.0 . 3.28 535 496 A 12 GLU HA A 2 GLN HA 1.0 . 3.35 536 497 A 34 CYS HA A 21 CYS HA 1.0 . 4.87 537 498 A 23 HIS HD2 A 32 LYS HA 1.0 . 4.31 538 499 A 23 HIS H A 22 VAL HA 1.0 . 2.94 539 500 A 17 ILE HD1% A 17 ILE HA 1.0 . 3.98 540 501 A 20 VAL HGy% A 37 GLN HA 1.0 . 3.55 541 502 A 10 THR HB A 55 LEU HDy% 1.0 . 4.01 542 503 A 55 LEU HA A 55 LEU HDy% 1.0 . 3.20 543 504 A 1 LEU HA A 1 LEU HDy% 1.0 . 4.43 544 505 A 17 ILE HG2% A 17 ILE HA 1.0 . 4.16 545 506 A 20 VAL HGx% A 37 GLN HA 1.0 . 3.64 546 507 A 14 ILE HG2% A 15 PRO HDy 1.0 . 4.18 547 508 A 47 THR HG2% A 47 THR HA 1.0 . 3.23 548 509 A 1 LEU HA A 1 LEU HDx% 1.0 . 4.43 549 510 A 6 LEU HA A 32 LYS HBy 1.0 . 4.16 550 511 A 6 LEU HA A 6 LEU HG 1.0 . 3.95 551 512 A 27 GLU HA A 27 GLU HBx 1.0 . 2.76 552 512 A 27 GLU HA A 27 GLU HBy 1.0 . 2.76 553 513 A 39 GLU HA A 39 GLU HBx 1.0 . 2.98 554 513 A 39 GLU HBy A 39 GLU HA 1.0 . 2.98 555 514 A 12 GLU HA A 2 GLN HGx 1.0 . 3.78 556 514 A 12 GLU HA A 2 GLN HGy 1.0 . 3.78 557 515 A 39 GLU HA A 39 GLU HGx 1.0 . 3.61 558 515 A 39 GLU HGy A 39 GLU HA 1.0 . 3.61 559 516 A 52 PRO HDy A 51 CYS HA 1.0 . 3.47 560 517 A 55 LEU HA A 3 CYS HA 1.0 . 3.28 561 518 A 55 LEU HA A 4 ASN HD2y 1.0 . 2.55 562 519 A 45 GLY H A 44 GLU HA 1.0 . 3.49 563 520 A 44 GLU H A 43 ALA HA 1.0 . 2.60 564 521 A 36 ILE HD1% A 39 GLU HGx 1.0 . 4.25 565 521 A 39 GLU HGy A 36 ILE HD1% 1.0 . 4.25 566 522 A 13 CYS HBx A 1 LEU HBx 1.0 . 3.99 567 522 A 13 CYS HBx A 1 LEU HBy 1.0 . 3.99 568 523 A 32 LYS HBx A 3 CYS HBy 1.0 . 5.50 569 524 A 21 CYS H A 50 CYS HBy 1.0 . 4.19 570 525 A 55 LEU HBy A 55 LEU HDy% 1.0 . 3.95 571 526 A 55 LEU HDy% A 2 GLN HGx 1.0 . 3.97 572 526 A 2 GLN HGy A 55 LEU HDy% 1.0 . 3.97 573 527 A 1 LEU HDy% A 1 LEU HBx 1.0 . 3.14 574 527 A 1 LEU HBy A 1 LEU HDy% 1.0 . 3.14 575 528 A 55 LEU HBy A 55 LEU HDx% 1.0 . 3.18 576 529 A 1 LEU HBy A 1 LEU HDx% 1.0 . 3.14 577 529 A 1 LEU HBx A 1 LEU HDx% 1.0 . 3.14 578 530 A 43 ALA HB% A 46 ALA HB% 1.0 . 4.04 579 531 A 36 ILE HG1x A 39 GLU HBx 1.0 . 4.59 580 531 A 39 GLU HBy A 36 ILE HG1x 1.0 . 4.59 581 532 A 13 CYS HBy A 1 LEU HBx 1.0 . 3.78 582 532 A 13 CYS HBy A 1 LEU HBy 1.0 . 3.78 583 533 A 24 TYR HE% A 29 GLU HGx 1.0 . 3.80 584 533 A 24 TYR HE% A 29 GLU HGy 1.0 . 3.80 585 534 A 28 ASP H A 27 GLU HBx 1.0 . 3.91 586 534 A 28 ASP H A 27 GLU HBy 1.0 . 3.91 587 535 A 17 ILE HD1% A 17 ILE HG2% 1.0 . 3.47 588 536 A 17 ILE HD1% A 14 ILE HD1% 1.0 . 4.52 589 537 A 20 VAL HGy% A 22 VAL HGx% 1.0 . 4.47 590 537 A 22 VAL HGy% A 20 VAL HGy% 1.0 . 4.47 591 538 A 36 ILE HG2% A 36 ILE HD1% 1.0 . 3.25 592 539 A 10 THR HG2% A 55 LEU HDx% 1.0 . 4.17 593 540 A 55 LEU HDy% A 10 THR HG2% 1.0 . 3.41 594 541 A 17 ILE HD1% A 17 ILE HB 1.0 . 4.10 595 542 A 55 LEU HBx A 55 LEU HDy% 1.0 . 3.88 596 543 A 55 LEU HBx A 55 LEU HDx% 1.0 . 3.50 597 544 A 36 ILE HB A 36 ILE HD1% 1.0 . 4.06 598 545 A 2 GLN HBy A 55 LEU HDy% 1.0 . 4.62 599 546 A 2 GLN HBx A 55 LEU HDy% 1.0 . 4.46 600 547 A 50 CYS HBy A 20 VAL HGy% 1.0 . 4.89 601 548 A 14 ILE HG2% A 15 PRO HDx 1.0 . 4.18 602 549 A 46 ALA HB% A 47 THR HB 1.0 . 4.97 603 550 A 35 GLY HAy A 20 VAL HGy% 1.0 . 4.51 604 551 A 14 ILE HG2% A 14 ILE HA 1.0 . 3.66 605 552 A 3 CYS HA A 55 LEU HDy% 1.0 . 4.30 606 553 A 55 LEU HDy% A 10 THR HA 1.0 . 4.83 607 554 A 24 TYR HD% A 22 VAL HGx% 1.0 . 4.12 608 554 A 22 VAL HGy% A 24 TYR HD% 1.0 . 4.12 609 555 A 18 TYR HD% A 36 ILE HG2% 1.0 . 4.04 610 556 A 39 GLU H A 36 ILE HG2% 1.0 . 4.60 611 557 A 35 GLY H A 22 VAL HGx% 1.0 . 4.82 612 557 A 35 GLY H A 22 VAL HGy% 1.0 . 4.82 613 558 A 14 ILE H A 18 TYR HD% 1.0 . 3.77 614 559 A 32 LYS HBx A 23 HIS HD2 1.0 . 5.20 615 560 A 23 HIS HD2 A 24 TYR HBx 1.0 . 4.64 616 561 A 36 ILE HG2% A 18 TYR HE% 1.0 . 5.15 617 562 A 31 TYR HD% A 30 GLU HA 1.0 . 4.14 618 563 A 6 LEU H A 5 THR HG2% 1.0 . 5.50 619 564 A 18 TYR HD% A 35 GLY HAx 1.0 . 4.32 620 565 A 30 GLU HA A 24 TYR HD% 1.0 . 2.62 621 566 A 7 ASP H A 6 LEU HBy 1.0 . 4.64 622 567 A 21 CYS HBy A 22 VAL HA 1.0 . 4.48 623 568 A 20 VAL HGy% A 18 TYR HBx 1.0 . 4.84 624 569 A 20 VAL HGx% A 50 CYS HBx 1.0 . 4.84 625 570 A 20 VAL HGx% A 50 CYS HBy 1.0 . 3.50 626 571 A 2 GLN HA A 2 GLN HGx 1.0 . 3.79 627 571 A 2 GLN HA A 2 GLN HGy 1.0 . 3.79 628 572 A 10 THR HB A 2 GLN HBy 1.0 . 5.50 629 573 A 43 ALA HB% A 44 GLU HA 1.0 . 4.70 630 574 A 40 CYS H A 39 GLU HBx 1.0 . 3.51 631 574 A 40 CYS H A 39 GLU HBy 1.0 . 3.51 632 575 A 29 GLU H A 29 GLU HGx 1.0 . 2.60 633 575 A 29 GLU H A 29 GLU HGy 1.0 . 2.60 634 576 A 56 CYS H A 55 LEU HA 1.0 . 2.61 635 577 A 32 LYS H A 6 LEU HBx 1.0 . 4.40 636 578 A 3 CYS H A 2 GLN HBy 1.0 . 4.46 637 579 A 11 GLU H A 11 GLU HBy 1.0 . 3.92 638 580 A 32 LYS H A 31 TYR HBx 1.0 . 4.12 639 581 A 12 GLU H A 2 GLN HGx 1.0 . 5.21 640 581 A 12 GLU H A 2 GLN HGy 1.0 . 5.21 641 582 A 11 GLU H A 11 GLU HGy 1.0 . 3.29 642 583 A 23 HIS H A 22 VAL HGx% 1.0 . 2.68 643 583 A 23 HIS H A 22 VAL HGy% 1.0 . 2.68 644 584 A 20 VAL H A 19 ASN H 1.0 . 3.94 645 585 A 1 LEU HA A 1 LEU HDx% 1.0 . 2.93 646 585 A 1 LEU HA A 1 LEU HDy% 1.0 . 2.93 647 586 A 1 LEU HBy A 1 LEU HDx% 1.0 . 2.63 648 586 A 1 LEU HBx A 1 LEU HDx% 1.0 . 2.63 649 586 A 1 LEU HDy% A 1 LEU HBx 1.0 . 2.63 650 586 A 1 LEU HBy A 1 LEU HDy% 1.0 . 2.63 651 587 A 2 GLN H A 1 LEU HDx% 1.0 . 2.76 652 587 A 2 GLN H A 1 LEU HDy% 1.0 . 2.76 653 588 A 13 CYS H A 1 LEU HDx% 1.0 . 5.44 654 588 A 13 CYS H A 1 LEU HDy% 1.0 . 5.44 655 589 A 53 GLU H A 1 LEU HDx% 1.0 . 3.97 656 589 A 53 GLU H A 1 LEU HDy% 1.0 . 3.97 657 590 A 54 ASP H A 1 LEU HDx% 1.0 . 3.74 658 590 A 54 ASP H A 1 LEU HDy% 1.0 . 3.74 659 591 A 55 LEU H A 1 LEU HDx% 1.0 . 5.00 660 591 A 55 LEU H A 1 LEU HDy% 1.0 . 5.00 661 592 A 2 GLN HBy A 54 ASP HBy 1.0 . 4.73 662 592 A 2 GLN HBy A 54 ASP HBx 1.0 . 4.73 663 593 A 2 GLN HE2y A 54 ASP HBy 1.0 . 5.16 664 593 A 2 GLN HE2y A 54 ASP HBx 1.0 . 5.16 665 594 A 3 CYS HA A 57 ASN HD2x 1.0 . 4.27 666 594 A 3 CYS HA A 57 ASN HD2y 1.0 . 4.27 667 595 A 3 CYS HBx A 57 ASN HD2x 1.0 . 4.46 668 595 A 3 CYS HBx A 57 ASN HD2y 1.0 . 4.46 669 596 A 3 CYS HBy A 57 ASN HD2x 1.0 . 3.63 670 596 A 3 CYS HBy A 57 ASN HD2y 1.0 . 3.63 671 597 A 4 ASN H A 57 ASN HD2x 1.0 . 3.27 672 597 A 4 ASN H A 57 ASN HD2y 1.0 . 3.27 673 598 A 4 ASN HBx A 57 ASN HD2x 1.0 . 4.23 674 598 A 4 ASN HBx A 57 ASN HD2y 1.0 . 4.23 675 599 A 4 ASN HD2x A 57 ASN HD2x 1.0 . 5.22 676 599 A 4 ASN HD2x A 57 ASN HD2y 1.0 . 5.22 677 600 A 5 THR H A 9 GLY HAy 1.0 . 5.12 678 600 A 5 THR H A 9 GLY HAx 1.0 . 5.12 679 601 A 5 THR H A 11 GLU HGx 1.0 . 4.75 680 601 A 5 THR H A 11 GLU HGy 1.0 . 4.75 681 602 A 5 THR HG2% A 9 GLY HAy 1.0 . 4.94 682 602 A 5 THR HG2% A 9 GLY HAx 1.0 . 4.94 683 603 A 6 LEU H A 6 LEU HDx% 1.0 . 3.75 684 603 A 6 LEU H A 6 LEU HDy% 1.0 . 3.75 685 604 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.64 686 604 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.64 687 605 A 7 ASP H A 6 LEU HDx% 1.0 . 3.48 688 605 A 7 ASP H A 6 LEU HDy% 1.0 . 3.48 689 606 A 8 GLY H A 6 LEU HDx% 1.0 . 5.05 690 606 A 8 GLY H A 6 LEU HDy% 1.0 . 5.05 691 607 A 32 LYS H A 6 LEU HDx% 1.0 . 4.60 692 607 A 32 LYS H A 6 LEU HDy% 1.0 . 4.60 693 608 A 7 ASP H A 7 ASP HBy 1.0 . 2.81 694 608 A 7 ASP H A 7 ASP HBx 1.0 . 2.81 695 609 A 7 ASP H A 8 GLY HAy 1.0 . 4.69 696 609 A 7 ASP H A 8 GLY HAx 1.0 . 4.69 697 610 A 8 GLY H A 7 ASP HBy 1.0 . 4.04 698 610 A 8 GLY H A 7 ASP HBx 1.0 . 4.04 699 611 A 9 GLY H A 7 ASP HBy 1.0 . 4.92 700 611 A 9 GLY H A 7 ASP HBx 1.0 . 4.92 701 612 A 8 GLY H A 8 GLY HAy 1.0 . 2.48 702 612 A 8 GLY H A 8 GLY HAx 1.0 . 2.48 703 613 A 8 GLY H A 9 GLY HAy 1.0 . 4.92 704 613 A 8 GLY H A 9 GLY HAx 1.0 . 4.92 705 614 A 9 GLY H A 8 GLY HAy 1.0 . 3.10 706 614 A 9 GLY H A 8 GLY HAx 1.0 . 3.10 707 615 A 9 GLY H A 9 GLY HAy 1.0 . 2.57 708 615 A 9 GLY H A 9 GLY HAx 1.0 . 2.57 709 616 A 11 GLU H A 11 GLU HBy 1.0 . 3.18 710 616 A 11 GLU H A 11 GLU HBx 1.0 . 3.18 711 617 A 11 GLU H A 11 GLU HGx 1.0 . 2.78 712 617 A 11 GLU H A 11 GLU HGy 1.0 . 2.78 713 618 A 12 GLU H A 11 GLU HBy 1.0 . 2.90 714 618 A 12 GLU H A 11 GLU HBx 1.0 . 2.90 715 619 A 12 GLU H A 12 GLU HBy 1.0 . 2.89 716 619 A 12 GLU H A 12 GLU HBx 1.0 . 2.89 717 620 A 14 ILE H A 14 ILE HG1y 1.0 . 3.42 718 620 A 14 ILE H A 14 ILE HG1x 1.0 . 3.42 719 621 A 14 ILE HA A 14 ILE HG1y 1.0 . 3.51 720 621 A 14 ILE HA A 14 ILE HG1x 1.0 . 3.51 721 622 A 14 ILE HA A 15 PRO HDx 1.0 . 3.13 722 622 A 14 ILE HA A 15 PRO HDy 1.0 . 3.13 723 623 A 14 ILE HG2% A 15 PRO HDx 1.0 . 3.51 724 623 A 14 ILE HG2% A 15 PRO HDy 1.0 . 3.51 725 624 A 18 TYR HD% A 14 ILE HG1y 1.0 . 4.13 726 624 A 18 TYR HD% A 14 ILE HG1x 1.0 . 4.13 727 625 A 18 TYR HE% A 14 ILE HG1y 1.0 . 4.12 728 625 A 18 TYR HE% A 14 ILE HG1x 1.0 . 4.12 729 626 A 20 VAL H A 19 ASN HBy 1.0 . 3.88 730 626 A 20 VAL H A 19 ASN HBx 1.0 . 3.88 731 627 A 19 ASN HD2x A 37 GLN HBy 1.0 . 4.48 732 627 A 19 ASN HD2x A 37 GLN HBx 1.0 . 4.48 733 628 A 19 ASN HD2y A 37 GLN HBy 1.0 . 3.70 734 628 A 19 ASN HD2y A 37 GLN HBx 1.0 . 3.70 735 629 A 20 VAL HGy% A 48 VAL HGy% 1.0 . 3.83 736 629 A 20 VAL HGy% A 48 VAL HGx% 1.0 . 3.83 737 630 A 21 CYS H A 48 VAL HGy% 1.0 . 5.44 738 630 A 21 CYS H A 48 VAL HGx% 1.0 . 5.44 739 631 A 21 CYS HBy A 57 ASN HBy 1.0 . 4.24 740 631 A 21 CYS HBy A 57 ASN HBx 1.0 . 4.24 741 632 A 21 CYS HBx A 57 ASN HBy 1.0 . 3.80 742 632 A 21 CYS HBx A 57 ASN HBx 1.0 . 3.80 743 633 A 22 VAL H A 34 CYS HBx 1.0 . 4.39 744 633 A 22 VAL H A 34 CYS HBy 1.0 . 4.39 745 634 A 22 VAL H A 57 ASN HBy 1.0 . 4.84 746 634 A 22 VAL H A 57 ASN HBx 1.0 . 4.84 747 635 A 22 VAL H A 57 ASN HD2y 1.0 . 4.12 748 635 A 22 VAL H A 57 ASN HD2x 1.0 . 4.12 749 636 A 22 VAL HB A 57 ASN HD2x 1.0 . 4.84 750 636 A 22 VAL HB A 57 ASN HD2y 1.0 . 4.84 751 637 A 22 VAL HGx% A 33 SER HBy 1.0 . 5.34 752 637 A 22 VAL HGy% A 33 SER HBy 1.0 . 5.34 753 637 A 33 SER HBx A 22 VAL HGx% 1.0 . 5.34 754 637 A 22 VAL HGy% A 33 SER HBx 1.0 . 5.34 755 638 A 22 VAL HGy% A 57 ASN HD2x 1.0 . 4.30 756 638 A 57 ASN HD2x A 22 VAL HGx% 1.0 . 4.30 757 638 A 57 ASN HD2y A 22 VAL HGx% 1.0 . 4.30 758 638 A 22 VAL HGy% A 57 ASN HD2y 1.0 . 4.30 759 639 A 23 HIS H A 57 ASN HD2x 1.0 . 4.58 760 639 A 23 HIS H A 57 ASN HD2y 1.0 . 4.58 761 640 A 23 HIS HBy A 57 ASN HBy 1.0 . 3.67 762 640 A 23 HIS HBx A 57 ASN HBy 1.0 . 3.67 763 640 A 57 ASN HBx A 23 HIS HBx 1.0 . 3.67 764 640 A 57 ASN HBx A 23 HIS HBy 1.0 . 3.67 765 641 A 23 HIS HD2 A 30 GLU HGx 1.0 . 4.24 766 641 A 23 HIS HD2 A 30 GLU HGy 1.0 . 4.24 767 642 A 23 HIS HE1 A 25 LYS HBy 1.0 . 5.28 768 642 A 23 HIS HE1 A 25 LYS HBx 1.0 . 5.28 769 643 A 23 HIS HE1 A 25 LYS HDy 1.0 . 5.30 770 643 A 23 HIS HE1 A 25 LYS HDx 1.0 . 5.30 771 644 A 24 TYR H A 30 GLU HGx 1.0 . 5.34 772 644 A 24 TYR H A 30 GLU HGy 1.0 . 5.34 773 645 A 24 TYR HD% A 30 GLU HBx 1.0 . 5.34 774 645 A 24 TYR HD% A 30 GLU HBy 1.0 . 5.34 775 646 A 24 TYR HE% A 26 SER HBx 1.0 . 3.54 776 646 A 24 TYR HE% A 26 SER HBy 1.0 . 3.54 777 647 A 26 SER H A 25 LYS HBy 1.0 . 4.25 778 647 A 26 SER H A 25 LYS HBx 1.0 . 4.25 779 648 A 25 LYS HEx A 25 LYS HGy 1.0 . 3.01 780 648 A 25 LYS HEy A 25 LYS HGy 1.0 . 3.01 781 648 A 25 LYS HGx A 25 LYS HEy 1.0 . 3.01 782 648 A 25 LYS HGx A 25 LYS HEx 1.0 . 3.01 783 649 A 26 SER H A 25 LYS HGy 1.0 . 3.49 784 649 A 26 SER H A 25 LYS HGx 1.0 . 3.49 785 650 A 26 SER H A 25 LYS HEy 1.0 . 5.34 786 650 A 26 SER H A 25 LYS HEx 1.0 . 5.34 787 651 A 26 SER H A 26 SER HBx 1.0 . 3.53 788 651 A 26 SER H A 26 SER HBy 1.0 . 3.53 789 652 A 26 SER H A 30 GLU HGx 1.0 . 5.34 790 652 A 26 SER H A 30 GLU HGy 1.0 . 5.34 791 653 A 27 GLU H A 26 SER HBx 1.0 . 2.63 792 653 A 27 GLU H A 26 SER HBy 1.0 . 2.63 793 654 A 28 ASP H A 26 SER HBx 1.0 . 3.05 794 654 A 28 ASP H A 26 SER HBy 1.0 . 3.05 795 655 A 30 GLU H A 30 GLU HBx 1.0 . 2.96 796 655 A 30 GLU H A 30 GLU HBy 1.0 . 2.96 797 656 A 30 GLU H A 30 GLU HGx 1.0 . 4.46 798 656 A 30 GLU H A 30 GLU HGy 1.0 . 4.46 799 657 A 30 GLU HA A 30 GLU HGx 1.0 . 3.29 800 657 A 30 GLU HA A 30 GLU HGy 1.0 . 3.29 801 658 A 31 TYR H A 30 GLU HBx 1.0 . 4.35 802 658 A 31 TYR H A 30 GLU HBy 1.0 . 4.35 803 659 A 31 TYR H A 30 GLU HGx 1.0 . 2.96 804 659 A 31 TYR H A 30 GLU HGy 1.0 . 2.96 805 660 A 31 TYR HD% A 33 SER HBy 1.0 . 3.49 806 660 A 31 TYR HD% A 33 SER HBx 1.0 . 3.49 807 661 A 31 TYR HE% A 33 SER HBy 1.0 . 4.73 808 661 A 31 TYR HE% A 33 SER HBx 1.0 . 4.73 809 662 A 32 LYS HA A 57 ASN HD2x 1.0 . 3.81 810 662 A 32 LYS HA A 57 ASN HD2y 1.0 . 3.81 811 663 A 33 SER H A 33 SER HBy 1.0 . 3.62 812 663 A 33 SER H A 33 SER HBx 1.0 . 3.62 813 664 A 33 SER H A 34 CYS HBx 1.0 . 5.08 814 664 A 33 SER H A 34 CYS HBy 1.0 . 5.08 815 665 A 33 SER H A 57 ASN HBy 1.0 . 5.34 816 665 A 33 SER H A 57 ASN HBx 1.0 . 5.34 817 666 A 33 SER H A 57 ASN HD2x 1.0 . 3.47 818 666 A 33 SER H A 57 ASN HD2y 1.0 . 3.47 819 667 A 33 SER HA A 57 ASN HD2x 1.0 . 5.34 820 667 A 33 SER HA A 57 ASN HD2y 1.0 . 5.34 821 668 A 34 CYS H A 33 SER HBy 1.0 . 2.95 822 668 A 34 CYS H A 33 SER HBx 1.0 . 2.95 823 669 A 35 GLY H A 34 CYS HBx 1.0 . 3.76 824 669 A 35 GLY H A 34 CYS HBy 1.0 . 3.76 825 670 A 37 GLN HE2x A 37 GLN HGy 1.0 . 3.11 826 670 A 37 GLN HE2x A 37 GLN HGx 1.0 . 3.11 827 671 A 37 GLN HE2y A 37 GLN HGy 1.0 . 3.42 828 671 A 37 GLN HE2y A 37 GLN HGx 1.0 . 3.42 829 672 A 38 GLU H A 37 GLN HGy 1.0 . 4.59 830 672 A 38 GLU H A 37 GLN HGx 1.0 . 4.59 831 673 A 40 CYS H A 41 GLU HBy 1.0 . 4.83 832 673 A 40 CYS H A 41 GLU HBx 1.0 . 4.83 833 674 A 40 CYS H A 48 VAL HGy% 1.0 . 5.44 834 674 A 40 CYS H A 48 VAL HGx% 1.0 . 5.44 835 675 A 40 CYS HA A 48 VAL HGy% 1.0 . 4.48 836 675 A 48 VAL HGx% A 40 CYS HA 1.0 . 4.48 837 676 A 41 GLU H A 41 GLU HBy 1.0 . 2.61 838 676 A 41 GLU H A 41 GLU HBx 1.0 . 2.61 839 677 A 41 GLU H A 48 VAL HGy% 1.0 . 3.96 840 677 A 41 GLU H A 48 VAL HGx% 1.0 . 3.96 841 678 A 42 ASP H A 41 GLU HBy 1.0 . 3.49 842 678 A 42 ASP H A 41 GLU HBx 1.0 . 3.49 843 679 A 42 ASP H A 42 ASP HBx 1.0 . 2.89 844 679 A 42 ASP H A 42 ASP HBy 1.0 . 2.89 845 680 A 43 ALA H A 42 ASP HBx 1.0 . 3.93 846 680 A 43 ALA H A 42 ASP HBy 1.0 . 3.93 847 681 A 43 ALA H A 48 VAL HGy% 1.0 . 5.00 848 681 A 43 ALA H A 48 VAL HGx% 1.0 . 5.00 849 682 A 43 ALA HB% A 48 VAL HGy% 1.0 . 4.49 850 682 A 43 ALA HB% A 48 VAL HGx% 1.0 . 4.49 851 683 A 48 VAL H A 48 VAL HGy% 1.0 . 3.09 852 683 A 48 VAL H A 48 VAL HGx% 1.0 . 3.09 853 684 A 50 CYS H A 49 LEU HBy 1.0 . 4.14 854 684 A 50 CYS H A 49 LEU HBx 1.0 . 4.14 855 685 A 50 CYS H A 49 LEU HDy% 1.0 . 3.42 856 685 A 50 CYS H A 49 LEU HDx% 1.0 . 3.42 857 686 A 52 PRO HDy A 51 CYS HBy 1.0 . 4.37 858 686 A 52 PRO HDy A 51 CYS HBx 1.0 . 4.37 859 687 A 52 PRO HDx A 51 CYS HBy 1.0 . 4.74 860 687 A 52 PRO HDx A 51 CYS HBx 1.0 . 4.74 861 688 A 53 GLU H A 51 CYS HBy 1.0 . 2.70 862 688 A 53 GLU H A 51 CYS HBx 1.0 . 2.70 863 689 A 51 CYS HBy A 53 GLU HBx 1.0 . 3.53 864 689 A 51 CYS HBx A 53 GLU HBx 1.0 . 3.53 865 689 A 53 GLU HBy A 51 CYS HBy 1.0 . 3.53 866 689 A 51 CYS HBx A 53 GLU HBy 1.0 . 3.53 867 690 A 53 GLU H A 53 GLU HBx 1.0 . 2.55 868 690 A 53 GLU H A 53 GLU HBy 1.0 . 2.55 869 691 A 53 GLU H A 53 GLU HGx 1.0 . 3.77 870 691 A 53 GLU H A 53 GLU HGy 1.0 . 3.77 871 692 A 53 GLU HA A 53 GLU HGx 1.0 . 3.66 872 692 A 53 GLU HA A 53 GLU HGy 1.0 . 3.66 873 693 A 54 ASP H A 53 GLU HBx 1.0 . 2.78 874 693 A 54 ASP H A 53 GLU HBy 1.0 . 2.78 875 694 A 56 CYS HBy A 53 GLU HBx 1.0 . 4.12 876 694 A 56 CYS HBy A 53 GLU HBy 1.0 . 4.12 877 695 A 54 ASP H A 53 GLU HGx 1.0 . 3.59 878 695 A 54 ASP H A 53 GLU HGy 1.0 . 3.59 879 696 A 54 ASP H A 54 ASP HBy 1.0 . 3.05 880 696 A 54 ASP H A 54 ASP HBx 1.0 . 3.05 881 697 A 55 LEU H A 54 ASP HBy 1.0 . 3.92 882 697 A 55 LEU H A 54 ASP HBx 1.0 . 3.92 883 698 A 55 LEU HG A 54 ASP HBy 1.0 . 3.47 884 698 A 55 LEU HG A 54 ASP HBx 1.0 . 3.47 885 699 A 55 LEU HDx% A 54 ASP HBy 1.0 . 5.34 886 699 A 55 LEU HDx% A 54 ASP HBx 1.0 . 5.34 887 700 A 55 LEU HDy% A 54 ASP HBy 1.0 . 4.90 888 700 A 55 LEU HDy% A 54 ASP HBx 1.0 . 4.90 889 701 A 56 CYS H A 54 ASP HBy 1.0 . 5.34 890 701 A 56 CYS H A 54 ASP HBx 1.0 . 5.34 891 702 A 57 ASN H A 57 ASN HBy 1.0 . 3.19 892 702 A 57 ASN H A 57 ASN HBx 1.0 . 3.19 893 703 A 57 ASN HA A 57 ASN HD2x 1.0 . 4.47 894 703 A 57 ASN HA A 57 ASN HD2y 1.0 . 4.47 895 704 A 57 ASN HD2x A 57 ASN HBx 1.0 . 2.97 896 704 A 57 ASN HD2y A 57 ASN HBx 1.0 . 2.97 897 704 A 57 ASN HD2x A 57 ASN HBy 1.0 . 2.97 898 704 A 57 ASN HD2y A 57 ASN HBy 1.0 . 2.97 899 705 A 3 CYS SG A 13 CYS SG 1.0 . 2.10 900 706 A 3 CYS SG A 13 CYS CB 1.0 . 3.10 901 707 A 13 CYS SG A 3 CYS CB 1.0 . 3.10 902 708 A 21 CYS SG A 50 CYS SG 1.0 . 2.10 903 709 A 21 CYS SG A 50 CYS CB 1.0 . 3.10 904 710 A 50 CYS SG A 21 CYS CB 1.0 . 3.10 905 711 A 34 CYS SG A 40 CYS SG 1.0 . 2.10 906 712 A 34 CYS SG A 40 CYS CB 1.0 . 3.10 907 713 A 40 CYS SG A 34 CYS CB 1.0 . 3.10 908 714 A 51 CYS SG A 56 CYS SG 1.0 . 2.10 909 715 A 51 CYS SG A 56 CYS CB 1.0 . 3.10 910 716 A 56 CYS SG A 51 CYS CB 1.0 . 3.10 911 717 A 13 CYS H A 1 LEU O 1.0 . 2.00 912 718 A 1 LEU O A 13 CYS N 1.0 . 3.00 913 719 A 55 LEU H A 2 GLN O 1.0 . 2.00 914 720 A 2 GLN O A 55 LEU N 1.0 . 3.00 915 721 A 20 VAL H A 35 GLY O 1.0 . 2.00 916 722 A 35 GLY O A 20 VAL N 1.0 . 3.00 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _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 LEU C A 2 GLN N A 2 GLN CA A 2 GLN C 1.0 -132.375 -107.041 PHI 2 2 A 2 GLN N A 2 GLN CA A 2 GLN C A 3 CYS N 1.0 132.816 152.816 PSI 3 3 A 2 GLN C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -147.430 -102.768 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 ASN N 1.0 143.669 173.875 PSI 5 5 A 4 ASN C A 5 THR N A 5 THR CA A 5 THR C 1.0 -133.321 -69.507 PHI 6 6 A 5 THR N A 5 THR CA A 5 THR C A 6 LEU N 1.0 153.372 173.372 PSI 7 7 A 5 THR C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -66.391 -46.391 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ASP N 1.0 -46.461 -18.717 PSI 9 9 A 6 LEU C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -97.687 -76.845 PHI 10 10 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 GLY N 1.0 -5.123 14.877 PSI 11 11 A 7 ASP C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 81.250 101.250 PHI 12 12 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 GLY N 1.0 -8.201 11.799 PSI 13 13 A 8 GLY C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -118.748 -79.492 PHI 14 14 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 THR N 1.0 120.023 178.715 PSI 15 15 A 9 GLY C A 10 THR N A 10 THR CA A 10 THR C 1.0 -159.176 -109.416 PHI 16 16 A 10 THR N A 10 THR CA A 10 THR C A 11 GLU N 1.0 144.969 167.719 PSI 17 17 A 10 THR C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -146.510 -118.572 PHI 18 18 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 120.775 146.093 PSI 19 19 A 11 GLU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -110.143 -89.201 PHI 20 20 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 CYS N 1.0 109.586 129.586 PSI 21 21 A 12 GLU C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -130.304 -89.496 PHI 22 22 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 ILE N 1.0 111.817 136.445 PSI 23 23 A 13 CYS C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -135.517 -68.721 PHI 24 24 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 PRO N 1.0 111.066 142.238 PSI 25 25 A 18 TYR C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -119.313 -83.871 PHI 26 26 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 VAL N 1.0 -37.349 17.159 PSI 27 27 A 19 ASN C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -160.985 -116.223 PHI 28 28 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 CYS N 1.0 144.655 173.769 PSI 29 29 A 21 CYS C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -134.925 -111.553 PHI 30 30 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 HIS N 1.0 123.163 143.163 PSI 31 31 A 22 VAL C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -135.241 -99.123 PHI 32 32 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 TYR N 1.0 111.090 131.090 PSI 33 33 A 23 HIS C A 24 TYR N A 24 TYR CA A 24 TYR C 1.0 -132.313 -102.675 PHI 34 34 A 24 TYR N A 24 TYR CA A 24 TYR C A 25 LYS N 1.0 115.924 138.530 PSI 35 35 A 24 TYR C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -138.653 -111.057 PHI 36 36 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 SER N 1.0 115.957 144.871 PSI 37 37 A 25 LYS C A 26 SER N A 26 SER CA A 26 SER C 1.0 -137.524 -80.482 PHI 38 38 A 26 SER N A 26 SER CA A 26 SER C A 27 GLU N 1.0 151.894 180.546 PSI 39 39 A 26 SER C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -74.394 -54.394 PHI 40 40 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ASP N 1.0 -39.953 -15.199 PSI 41 41 A 27 GLU C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -122.650 -85.114 PHI 42 42 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 GLU N 1.0 -23.732 19.882 PSI 43 43 A 28 ASP C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -158.931 -136.337 PHI 44 44 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLU N 1.0 128.683 164.723 PSI 45 45 A 29 GLU C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -156.528 -112.798 PHI 46 46 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 TYR N 1.0 125.700 164.428 PSI 47 47 A 30 GLU C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -155.284 -130.204 PHI 48 48 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 LYS N 1.0 142.135 162.135 PSI 49 49 A 31 TYR C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -160.655 -134.691 PHI 50 50 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 SER N 1.0 136.446 169.004 PSI 51 51 A 32 LYS C A 33 SER N A 33 SER CA A 33 SER C 1.0 -165.264 -100.128 PHI 52 52 A 33 SER N A 33 SER CA A 33 SER C A 34 CYS N 1.0 144.725 167.963 PSI 53 53 A 37 GLN C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -75.795 -49.871 PHI 54 54 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 GLU N 1.0 -38.060 -7.494 PSI 55 55 A 38 GLU C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -83.839 -57.879 PHI 56 56 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 CYS N 1.0 -42.693 -4.961 PSI 57 57 A 39 GLU C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -89.324 -57.518 PHI 58 58 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 GLU N 1.0 -41.626 -14.476 PSI 59 59 A 43 ALA C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -98.717 -38.529 PHI 60 60 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 GLY N 1.0 127.835 147.835 PSI 61 61 A 45 GLY C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -119.350 -66.496 PHI 62 62 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 THR N 1.0 136.724 160.672 PSI 63 63 A 46 ALA C A 47 THR N A 47 THR CA A 47 THR C 1.0 -125.901 -77.459 PHI 64 64 A 47 THR N A 47 THR CA A 47 THR C A 48 VAL N 1.0 120.877 141.093 PSI 65 65 A 47 THR C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -125.887 -103.173 PHI 66 66 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 LEU N 1.0 119.182 140.690 PSI 67 67 A 48 VAL C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -127.595 -96.485 PHI 68 68 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 CYS N 1.0 115.306 135.954 PSI 69 69 A 49 LEU C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -124.589 -104.589 PHI 70 70 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 CYS N 1.0 124.973 147.765 PSI 71 71 A 50 CYS C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -146.912 -100.626 PHI 72 72 A 51 CYS N A 51 CYS CA A 51 CYS C A 52 PRO N 1.0 96.254 149.036 PSI 73 73 A 52 PRO C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -133.540 -86.402 PHI 74 74 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 ASP N 1.0 135.904 181.338 PSI 75 75 A 55 LEU C A 56 CYS N A 56 CYS CA A 56 CYS C 1.0 -131.016 -100.462 PHI 76 76 A 56 CYS N A 56 CYS CA A 56 CYS C A 57 ASN N 1.0 -19.021 19.111 PSI stop_ save_