data_nef_c25376_2mwx 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 2MWX 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 32 CYS SG 2 1 ZN ZN 1 29 CYS SG 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 26 HIS NE2 2 2 ZN ZN 1 40 CYS SG 2 2 ZN ZN 1 12 CYS SG 2 1 ZN ZN 1 24 CYS SG 2 2 ZN ZN 1 43 CYS SG 2 2 ZN ZN 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 49 GLU start . . 2 A 50 GLU middle . . 3 A 51 GLU middle . . 4 A 52 PHE middle . . 5 A 53 GLN middle . . 6 A 54 PHE middle . . 7 A 55 LEU middle . . 8 A 56 ARG middle . . 9 A 57 CYS middle -HG . 10 A 58 GLN middle . . 11 A 59 GLN middle . . 12 A 60 CYS middle -HG . 13 A 61 GLN middle . . 14 A 62 ALA middle . . 15 A 63 GLU middle . . 16 A 64 ALA middle . . 17 A 65 LYS middle . . 18 A 66 CYS middle . . 19 A 67 PRO middle . false 20 A 68 LYS middle . . 21 A 69 LEU middle . . 22 A 70 LEU middle . . 23 A 71 PRO middle . false 24 A 72 CYS middle -HG . 25 A 73 LEU middle . . 26 A 74 HIS middle -HE2 . 27 A 75 THR middle . . 28 A 76 LEU middle . . 29 A 77 CYS middle -HG . 30 A 78 SER middle . . 31 A 79 GLY middle . false 32 A 80 CYS middle -HG . 33 A 81 LEU middle . . 34 A 82 GLU middle . . 35 A 83 ALA middle . . 36 A 84 SER middle . . 37 A 85 GLY middle . false 38 A 86 MET middle . . 39 A 87 GLN middle . . 40 A 88 CYS middle -HG . 41 A 89 PRO middle . false 42 A 90 ILE middle . . 43 A 91 CYS middle -HG . 44 A 92 GLN middle . . 45 A 93 ALA middle . . 46 A 94 PRO middle . false 47 A 95 TRP middle . . 48 A 96 PRO middle . false 49 A 97 LEU middle . . 50 A 98 GLY middle . false 51 A 99 ALA middle . . 52 A 100 ASP middle . . 53 A 101 THR middle . . 54 A 102 PRO middle . false 55 A 103 ALA middle . . 56 A 104 LEU end . . 57 B 1 ZN . . . 58 B 2 ZN . . . 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 49 GLU H1 H 1 8.852 0.040 A 49 GLU HA H 1 4.217 0.040 A 49 GLU HBx H 1 1.930 0.040 A 49 GLU HBy H 1 2.035 0.040 A 49 GLU HGx H 1 2.253 0.040 A 49 GLU HGy H 1 2.253 0.040 A 49 GLU CA C 13 57.240 0.400 A 49 GLU CB C 13 29.128 0.400 A 49 GLU CG C 13 35.702 0.400 A 49 GLU N N 15 122.446 0.400 A 50 GLU H H 1 8.300 0.040 A 50 GLU HA H 1 4.168 0.040 A 50 GLU HBx H 1 1.882 0.040 A 50 GLU HBy H 1 1.882 0.040 A 50 GLU HGx H 1 2.181 0.040 A 50 GLU HGy H 1 2.181 0.040 A 50 GLU CA C 13 56.824 0.400 A 50 GLU CB C 13 29.718 0.400 A 50 GLU CG C 13 35.619 0.400 A 50 GLU N N 15 120.583 0.400 A 51 GLU H H 1 8.140 0.040 A 51 GLU HA H 1 4.124 0.040 A 51 GLU HBx H 1 1.815 0.040 A 51 GLU HBy H 1 1.815 0.040 A 51 GLU HGy H 1 2.103 0.040 A 51 GLU HGx H 1 2.016 0.040 A 51 GLU CA C 13 56.362 0.400 A 51 GLU CB C 13 29.727 0.400 A 51 GLU CG C 13 35.538 0.400 A 51 GLU N N 15 121.142 0.400 A 52 PHE H H 1 8.106 0.040 A 52 PHE HA H 1 4.515 0.040 A 52 PHE HBy H 1 2.976 0.040 A 52 PHE HBx H 1 2.904 0.040 A 52 PHE HDx H 1 7.153 0.040 A 52 PHE HDy H 1 7.153 0.040 A 52 PHE CA C 13 57.409 0.400 A 52 PHE CB C 13 39.326 0.400 A 52 PHE CDx C 13 131.752 0.400 A 52 PHE N N 15 120.500 0.400 A 53 GLN H H 1 8.047 0.040 A 53 GLN HA H 1 4.212 0.040 A 53 GLN HBy H 1 1.871 0.040 A 53 GLN HBx H 1 1.768 0.040 A 53 GLN HE2y H 1 7.444 0.040 A 53 GLN HE2x H 1 6.774 0.040 A 53 GLN HGx H 1 2.137 0.040 A 53 GLN HGy H 1 2.137 0.040 A 53 GLN CA C 13 55.345 0.400 A 53 GLN CB C 13 29.357 0.400 A 53 GLN CG C 13 33.420 0.400 A 53 GLN N N 15 121.616 0.400 A 53 GLN NE2 N 15 112.151 0.400 A 54 PHE H H 1 7.956 0.040 A 54 PHE HA H 1 4.648 0.040 A 54 PHE HBy H 1 3.097 0.040 A 54 PHE HBx H 1 2.857 0.040 A 54 PHE HDx H 1 7.210 0.040 A 54 PHE HDy H 1 7.210 0.040 A 54 PHE CA C 13 56.824 0.400 A 54 PHE CB C 13 39.522 0.400 A 54 PHE CDx C 13 131.649 0.400 A 54 PHE N N 15 120.217 0.400 A 55 LEU H H 1 8.567 0.040 A 55 LEU HA H 1 4.386 0.040 A 55 LEU HBx H 1 1.611 0.040 A 55 LEU HBy H 1 1.611 0.040 A 55 LEU HDx% H 1 0.866 0.040 A 55 LEU HDy% H 1 0.866 0.040 A 55 LEU HG H 1 1.487 0.040 A 55 LEU CA C 13 54.421 0.400 A 55 LEU CB C 13 43.024 0.400 A 55 LEU CDy C 13 24.746 0.400 A 55 LEU CDx C 13 23.307 0.400 A 55 LEU CG C 13 27.036 0.400 A 55 LEU N N 15 123.391 0.400 A 56 ARG H H 1 8.101 0.040 A 56 ARG HA H 1 4.569 0.040 A 56 ARG HBx H 1 1.503 0.040 A 56 ARG HBy H 1 1.503 0.040 A 56 ARG HDy H 1 3.110 0.040 A 56 ARG HDx H 1 3.032 0.040 A 56 ARG HGx H 1 1.338 0.040 A 56 ARG HGy H 1 1.338 0.040 A 56 ARG CA C 13 54.553 0.400 A 56 ARG CB C 13 31.817 0.400 A 56 ARG CD C 13 43.015 0.400 A 56 ARG CG C 13 27.283 0.400 A 56 ARG N N 15 120.442 0.400 A 57 CYS H H 1 8.828 0.040 A 57 CYS HA H 1 3.953 0.040 A 57 CYS HBy H 1 3.362 0.040 A 57 CYS HBx H 1 2.632 0.040 A 57 CYS CA C 13 59.135 0.400 A 57 CYS CB C 13 31.290 0.400 A 57 CYS N N 15 123.891 0.400 A 58 GLN H H 1 9.222 0.040 A 58 GLN HA H 1 4.121 0.040 A 58 GLN HBx H 1 2.086 0.040 A 58 GLN HBy H 1 2.086 0.040 A 58 GLN HE2y H 1 7.627 0.040 A 58 GLN HE2x H 1 7.079 0.040 A 58 GLN HGy H 1 2.658 0.040 A 58 GLN HGx H 1 2.492 0.040 A 58 GLN CA C 13 58.528 0.400 A 58 GLN CB C 13 29.950 0.400 A 58 GLN CG C 13 36.694 0.400 A 58 GLN N N 15 128.172 0.400 A 58 GLN NE2 N 15 110.577 0.400 A 59 GLN H H 1 9.200 0.040 A 59 GLN HA H 1 4.589 0.040 A 59 GLN HBy H 1 2.482 0.040 A 59 GLN HBx H 1 1.685 0.040 A 59 GLN HE2y H 1 7.505 0.040 A 59 GLN HE2x H 1 6.728 0.040 A 59 GLN HGy H 1 2.347 0.040 A 59 GLN HGx H 1 2.060 0.040 A 59 GLN CA C 13 57.609 0.400 A 59 GLN CB C 13 29.717 0.400 A 59 GLN CG C 13 33.729 0.400 A 59 GLN N N 15 121.709 0.400 A 59 GLN NE2 N 15 111.895 0.400 A 60 CYS H H 1 8.566 0.040 A 60 CYS HA H 1 4.794 0.040 A 60 CYS HBy H 1 3.188 0.040 A 60 CYS HBx H 1 2.499 0.040 A 60 CYS CA C 13 59.458 0.400 A 60 CYS CB C 13 32.179 0.400 A 60 CYS N N 15 119.482 0.400 A 61 GLN H H 1 7.672 0.040 A 61 GLN HA H 1 4.153 0.040 A 61 GLN HBx H 1 2.382 0.040 A 61 GLN HBy H 1 2.382 0.040 A 61 GLN HE2y H 1 7.109 0.040 A 61 GLN HE2x H 1 6.500 0.040 A 61 GLN HGy H 1 2.256 0.040 A 61 GLN HGx H 1 2.113 0.040 A 61 GLN CA C 13 57.979 0.400 A 61 GLN CB C 13 25.342 0.400 A 61 GLN CG C 13 33.651 0.400 A 61 GLN N N 15 115.153 0.400 A 61 GLN NE2 N 15 112.264 0.400 A 62 ALA H H 1 8.728 0.040 A 62 ALA HA H 1 4.437 0.040 A 62 ALA HB% H 1 1.502 0.040 A 62 ALA CA C 13 52.064 0.400 A 62 ALA CB C 13 20.822 0.400 A 62 ALA N N 15 124.669 0.400 A 63 GLU H H 1 8.523 0.040 A 63 GLU HA H 1 4.037 0.040 A 63 GLU HBx H 1 1.717 0.040 A 63 GLU HBy H 1 1.717 0.040 A 63 GLU HGy H 1 2.100 0.040 A 63 GLU HGx H 1 1.932 0.040 A 63 GLU CA C 13 57.332 0.400 A 63 GLU CB C 13 29.262 0.400 A 63 GLU CG C 13 35.734 0.400 A 63 GLU N N 15 119.649 0.400 A 64 ALA H H 1 8.581 0.040 A 64 ALA HA H 1 4.386 0.040 A 64 ALA HB% H 1 0.944 0.040 A 64 ALA CA C 13 50.354 0.400 A 64 ALA CB C 13 18.335 0.400 A 64 ALA N N 15 128.762 0.400 A 65 LYS H H 1 8.175 0.040 A 65 LYS HA H 1 4.081 0.040 A 65 LYS HBx H 1 1.659 0.040 A 65 LYS HBy H 1 1.659 0.040 A 65 LYS HDx H 1 1.522 0.040 A 65 LYS HDy H 1 1.522 0.040 A 65 LYS HEx H 1 2.821 0.040 A 65 LYS HEy H 1 2.821 0.040 A 65 LYS HGy H 1 1.272 0.040 A 65 LYS HGx H 1 1.115 0.040 A 65 LYS CA C 13 57.055 0.400 A 65 LYS CB C 13 32.306 0.400 A 65 LYS CD C 13 29.294 0.400 A 65 LYS CE C 13 41.773 0.400 A 65 LYS CG C 13 24.904 0.400 A 65 LYS N N 15 122.223 0.400 A 66 CYS H H 1 8.790 0.040 A 66 CYS HA H 1 4.692 0.040 A 66 CYS HBy H 1 3.175 0.040 A 66 CYS HBx H 1 2.969 0.040 A 66 CYS CA C 13 53.727 0.400 A 66 CYS N N 15 117.296 0.400 A 67 PRO HA H 1 4.397 0.040 A 67 PRO HBx H 1 2.158 0.040 A 67 PRO HBy H 1 2.158 0.040 A 67 PRO HDx H 1 3.457 0.040 A 67 PRO HDy H 1 3.457 0.040 A 67 PRO HGy H 1 1.921 0.040 A 67 PRO HGx H 1 1.845 0.040 A 67 PRO CA C 13 62.829 0.400 A 67 PRO CB C 13 31.785 0.400 A 67 PRO CD C 13 50.449 0.400 A 67 PRO CG C 13 27.119 0.400 A 68 LYS H H 1 8.662 0.040 A 68 LYS HA H 1 4.285 0.040 A 68 LYS HBx H 1 1.606 0.040 A 68 LYS HBy H 1 1.606 0.040 A 68 LYS HDx H 1 1.499 0.040 A 68 LYS HDy H 1 1.499 0.040 A 68 LYS HEx H 1 2.839 0.040 A 68 LYS HEy H 1 2.839 0.040 A 68 LYS HGx H 1 1.266 0.040 A 68 LYS HGy H 1 1.266 0.040 A 68 LYS CA C 13 54.929 0.400 A 68 LYS CB C 13 33.327 0.400 A 68 LYS CD C 13 28.620 0.400 A 68 LYS CE C 13 42.070 0.400 A 68 LYS CG C 13 24.488 0.400 A 68 LYS N N 15 121.724 0.400 A 69 LEU H H 1 8.320 0.040 A 69 LEU HA H 1 4.474 0.040 A 69 LEU HBx H 1 1.625 0.040 A 69 LEU HBy H 1 1.625 0.040 A 69 LEU HDx% H 1 0.765 0.040 A 69 LEU HDy% H 1 0.765 0.040 A 69 LEU HG H 1 1.362 0.040 A 69 LEU CA C 13 54.454 0.400 A 69 LEU CB C 13 41.720 0.400 A 69 LEU CDy C 13 24.603 0.400 A 69 LEU CDx C 13 22.398 0.400 A 69 LEU CG C 13 26.817 0.400 A 69 LEU N N 15 125.851 0.400 A 70 LEU H H 1 8.677 0.040 A 70 LEU HA H 1 4.648 0.040 A 70 LEU HBx H 1 2.060 0.040 A 70 LEU HBy H 1 2.060 0.040 A 70 LEU HDx% H 1 0.918 0.040 A 70 LEU HDy% H 1 0.603 0.040 A 70 LEU HG H 1 1.725 0.040 A 70 LEU CA C 13 53.127 0.400 A 70 LEU CB C 13 42.832 0.400 A 70 LEU CDy C 13 25.244 0.400 A 70 LEU CDx C 13 22.105 0.400 A 70 LEU CG C 13 27.429 0.400 A 70 LEU N N 15 128.488 0.400 A 71 PRO HA H 1 4.276 0.040 A 71 PRO HBx H 1 2.338 0.040 A 71 PRO HBy H 1 2.338 0.040 A 71 PRO HDx H 1 3.787 0.040 A 71 PRO HDy H 1 3.787 0.040 A 71 PRO HGx H 1 2.106 0.040 A 71 PRO HGy H 1 2.106 0.040 A 71 PRO CA C 13 64.790 0.400 A 71 PRO CB C 13 31.460 0.400 A 71 PRO CD C 13 50.276 0.400 A 71 PRO CG C 13 27.697 0.400 A 72 CYS H H 1 7.204 0.040 A 72 CYS HA H 1 4.274 0.040 A 72 CYS HBy H 1 2.856 0.040 A 72 CYS HBx H 1 2.652 0.040 A 72 CYS CA C 13 57.194 0.400 A 72 CYS CB C 13 31.085 0.400 A 72 CYS N N 15 112.135 0.400 A 73 LEU H H 1 8.043 0.040 A 73 LEU HA H 1 3.868 0.040 A 73 LEU HBx H 1 1.974 0.040 A 73 LEU HBy H 1 1.974 0.040 A 73 LEU HDx% H 1 1.350 0.040 A 73 LEU HDy% H 1 0.791 0.040 A 73 LEU HG H 1 1.533 0.040 A 73 LEU CA C 13 56.500 0.400 A 73 LEU CB C 13 37.671 0.400 A 73 LEU CDy C 13 24.769 0.400 A 73 LEU CDx C 13 22.555 0.400 A 73 LEU CG C 13 26.444 0.400 A 73 LEU N N 15 114.341 0.400 A 74 HIS H H 1 7.831 0.040 A 74 HIS HA H 1 4.990 0.040 A 74 HIS HBy H 1 3.280 0.040 A 74 HIS HBx H 1 2.719 0.040 A 74 HIS HD2 H 1 7.337 0.040 A 74 HIS HE1 H 1 7.836 0.040 A 74 HIS CA C 13 58.672 0.400 A 74 HIS CB C 13 31.354 0.400 A 74 HIS CD2 C 13 118.767 0.400 A 74 HIS CE1 C 13 138.125 0.400 A 74 HIS N N 15 120.386 0.400 A 75 THR H H 1 8.889 0.040 A 75 THR HA H 1 4.730 0.040 A 75 THR HB H 1 3.950 0.040 A 75 THR HG2% H 1 0.939 0.040 A 75 THR CA C 13 62.185 0.400 A 75 THR CB C 13 69.640 0.400 A 75 THR CG2 C 13 21.733 0.400 A 75 THR N N 15 118.963 0.400 A 76 LEU H H 1 8.767 0.040 A 76 LEU HA H 1 5.933 0.040 A 76 LEU HBy H 1 1.824 0.040 A 76 LEU HBx H 1 1.600 0.040 A 76 LEU HDx% H 1 1.021 0.040 A 76 LEU HDy% H 1 0.969 0.040 A 76 LEU HG H 1 1.687 0.040 A 76 LEU CA C 13 51.509 0.400 A 76 LEU CB C 13 46.194 0.400 A 76 LEU CDy C 13 26.402 0.400 A 76 LEU CDx C 13 24.643 0.400 A 76 LEU CG C 13 28.446 0.400 A 76 LEU N N 15 128.330 0.400 A 77 CYS H H 1 9.510 0.040 A 77 CYS HA H 1 4.732 0.040 A 77 CYS HBy H 1 3.546 0.040 A 77 CYS HBx H 1 2.806 0.040 A 77 CYS CA C 13 56.870 0.400 A 77 CYS CB C 13 31.698 0.400 A 77 CYS N N 15 119.360 0.400 A 78 SER H H 1 8.593 0.040 A 78 SER HA H 1 4.037 0.040 A 78 SER HBx H 1 3.934 0.040 A 78 SER HBy H 1 3.934 0.040 A 78 SER CA C 13 61.756 0.400 A 78 SER CB C 13 62.254 0.400 A 78 SER N N 15 114.841 0.400 A 79 GLY H H 1 8.391 0.040 A 79 GLY HAy H 1 3.993 0.040 A 79 GLY HAx H 1 3.852 0.040 A 79 GLY CA C 13 46.777 0.400 A 79 GLY N N 15 111.904 0.400 A 80 CYS H H 1 9.039 0.040 A 80 CYS HA H 1 3.954 0.040 A 80 CYS HBy H 1 2.949 0.040 A 80 CYS HBx H 1 2.684 0.040 A 80 CYS CA C 13 65.189 0.400 A 80 CYS CB C 13 28.846 0.400 A 80 CYS N N 15 126.807 0.400 A 81 LEU H H 1 8.109 0.040 A 81 LEU HA H 1 4.132 0.040 A 81 LEU HBy H 1 1.749 0.040 A 81 LEU HBx H 1 1.532 0.040 A 81 LEU HDy% H 1 0.702 0.040 A 81 LEU HG H 1 1.573 0.040 A 81 LEU CA C 13 57.443 0.400 A 81 LEU CB C 13 41.782 0.400 A 81 LEU CDy C 13 24.538 0.400 A 81 LEU CG C 13 26.846 0.400 A 81 LEU N N 15 120.440 0.400 A 82 GLU H H 1 8.432 0.040 A 82 GLU HA H 1 4.037 0.040 A 82 GLU HBy H 1 2.150 0.040 A 82 GLU HBx H 1 2.081 0.040 A 82 GLU HGy H 1 2.409 0.040 A 82 GLU HGx H 1 2.272 0.040 A 82 GLU CA C 13 59.319 0.400 A 82 GLU CB C 13 28.927 0.400 A 82 GLU CG C 13 35.797 0.400 A 82 GLU N N 15 120.149 0.400 A 83 ALA H H 1 7.715 0.040 A 83 ALA HA H 1 4.299 0.040 A 83 ALA HB% H 1 1.480 0.040 A 83 ALA CA C 13 53.543 0.400 A 83 ALA CB C 13 18.334 0.400 A 83 ALA N N 15 120.334 0.400 A 84 SER H H 1 7.570 0.040 A 84 SER HA H 1 4.494 0.040 A 84 SER HBx H 1 4.132 0.040 A 84 SER HBy H 1 4.132 0.040 A 84 SER CA C 13 58.210 0.400 A 84 SER CB C 13 63.837 0.400 A 84 SER N N 15 112.368 0.400 A 85 GLY H H 1 7.955 0.040 A 85 GLY HAy H 1 3.985 0.040 A 85 GLY HAx H 1 3.862 0.040 A 85 GLY CA C 13 46.841 0.400 A 85 GLY N N 15 110.612 0.400 A 86 MET H H 1 8.489 0.040 A 86 MET HA H 1 3.804 0.040 A 86 MET HBx H 1 2.124 0.040 A 86 MET HBy H 1 2.124 0.040 A 86 MET HGy H 1 2.520 0.040 A 86 MET HGx H 1 2.294 0.040 A 86 MET CA C 13 55.160 0.400 A 86 MET CB C 13 28.494 0.400 A 86 MET CG C 13 32.087 0.400 A 86 MET N N 15 113.856 0.400 A 87 GLN H H 1 7.188 0.040 A 87 GLN HA H 1 4.449 0.040 A 87 GLN HBy H 1 1.813 0.040 A 87 GLN HBx H 1 1.645 0.040 A 87 GLN HE2y H 1 7.474 0.040 A 87 GLN HE2x H 1 6.727 0.040 A 87 GLN HGx H 1 2.071 0.040 A 87 GLN HGy H 1 2.071 0.040 A 87 GLN CA C 13 53.404 0.400 A 87 GLN CB C 13 30.964 0.400 A 87 GLN CG C 13 33.348 0.400 A 87 GLN N N 15 116.394 0.400 A 87 GLN NE2 N 15 109.030 0.400 A 88 CYS H H 1 8.616 0.040 A 88 CYS HA H 1 4.300 0.040 A 88 CYS HBx H 1 3.028 0.040 A 88 CYS HBy H 1 3.028 0.040 A 88 CYS CA C 13 57.101 0.400 A 88 CYS CB C 13 31.117 0.400 A 88 CYS N N 15 124.484 0.400 A 89 PRO HA H 1 4.509 0.040 A 89 PRO HBy H 1 2.290 0.040 A 89 PRO HBx H 1 1.952 0.040 A 89 PRO HDx H 1 3.989 0.040 A 89 PRO HDy H 1 3.989 0.040 A 89 PRO HGx H 1 1.733 0.040 A 89 PRO HGy H 1 1.733 0.040 A 89 PRO CA C 13 63.715 0.400 A 89 PRO CB C 13 31.717 0.400 A 89 PRO CD C 13 50.703 0.400 A 89 PRO CG C 13 26.928 0.400 A 90 ILE H H 1 8.908 0.040 A 90 ILE HA H 1 3.783 0.040 A 90 ILE HB H 1 1.109 0.040 A 90 ILE HD1% H 1 0.386 0.040 A 90 ILE HG1x H 1 1.005 0.040 A 90 ILE HG1y H 1 1.005 0.040 A 90 ILE HG2% H 1 0.318 0.040 A 90 ILE CA C 13 62.878 0.400 A 90 ILE CB C 13 37.483 0.400 A 90 ILE CD1 C 13 12.097 0.400 A 90 ILE CG1 C 13 27.538 0.400 A 90 ILE CG2 C 13 16.318 0.400 A 90 ILE N N 15 123.484 0.400 A 91 CYS H H 1 8.587 0.040 A 91 CYS HA H 1 4.517 0.040 A 91 CYS HBy H 1 3.068 0.040 A 91 CYS HBx H 1 2.855 0.040 A 91 CYS CA C 13 60.891 0.400 A 91 CYS CB C 13 31.244 0.400 A 91 CYS N N 15 120.890 0.400 A 92 GLN H H 1 7.787 0.040 A 92 GLN HA H 1 4.132 0.040 A 92 GLN HBx H 1 2.159 0.040 A 92 GLN HBy H 1 2.159 0.040 A 92 GLN HE2y H 1 7.322 0.040 A 92 GLN HE2x H 1 6.622 0.040 A 92 GLN HGx H 1 2.251 0.040 A 92 GLN HGy H 1 2.251 0.040 A 92 GLN CA C 13 56.824 0.400 A 92 GLN CB C 13 27.216 0.400 A 92 GLN CG C 13 34.023 0.400 A 92 GLN N N 15 116.563 0.400 A 92 GLN NE2 N 15 111.936 0.400 A 93 ALA H H 1 8.031 0.040 A 93 ALA HA H 1 4.561 0.040 A 93 ALA HB% H 1 1.372 0.040 A 93 ALA CA C 13 50.862 0.400 A 93 ALA CB C 13 18.415 0.400 A 93 ALA N N 15 125.273 0.400 A 94 PRO HA H 1 4.538 0.040 A 94 PRO HBx H 1 2.181 0.040 A 94 PRO HBy H 1 2.181 0.040 A 94 PRO HDx H 1 3.576 0.040 A 94 PRO HDy H 1 3.576 0.040 A 94 PRO HGx H 1 1.928 0.040 A 94 PRO HGy H 1 1.928 0.040 A 94 PRO CA C 13 62.513 0.400 A 94 PRO CB C 13 31.684 0.400 A 94 PRO CD C 13 50.398 0.400 A 94 PRO CG C 13 27.087 0.400 A 95 TRP H H 1 8.012 0.040 A 95 TRP HA H 1 5.042 0.040 A 95 TRP HBy H 1 3.253 0.040 A 95 TRP HBx H 1 3.144 0.040 A 95 TRP HD1 H 1 7.254 0.040 A 95 TRP HE1 H 1 10.021 0.040 A 95 TRP CA C 13 54.005 0.400 A 95 TRP CB C 13 28.846 0.400 A 95 TRP CD1 C 13 129.853 0.400 A 95 TRP N N 15 121.986 0.400 A 95 TRP NE1 N 15 128.963 0.400 A 96 PRO HA H 1 4.49 0.040 A 96 PRO HBy H 1 2.247 0.040 A 96 PRO HBx H 1 1.931 0.040 A 96 PRO HDx H 1 3.461 0.040 A 96 PRO HDy H 1 3.461 0.040 A 96 PRO HGx H 1 1.747 0.040 A 96 PRO HGy H 1 1.747 0.040 A 96 PRO CA C 13 62.900 0.400 A 96 PRO CB C 13 31.550 0.400 A 96 PRO CD C 13 49.936 0.400 A 96 PRO CG C 13 24.487 0.400 A 97 LEU H H 1 8.224 0.400 A 97 LEU HA H 1 4.299 0.040 A 97 LEU HBx H 1 1.555 0.040 A 97 LEU HBy H 1 1.555 0.040 A 97 LEU HDx% H 1 0.914 0.040 A 97 LEU HDy% H 1 0.867 0.040 A 97 LEU HG H 1 1.612 0.040 A 97 LEU CA C 13 55.206 0.400 A 97 LEU CB C 13 42.046 0.400 A 97 LEU CDy C 13 24.652 0.400 A 97 LEU CDx C 13 23.446 0.400 A 97 LEU CG C 13 26.879 0.400 A 97 LEU N N 15 122.075 0.400 A 98 GLY H H 1 8.444 0.040 A 98 GLY HAy H 1 3.984 0.040 A 98 GLY HAx H 1 3.906 0.040 A 98 GLY CA C 13 45.085 0.400 A 98 GLY N N 15 110.020 0.400 A 99 ALA H H 1 8.176 0.040 A 99 ALA HA H 1 4.299 0.040 A 99 ALA HB% H 1 1.351 0.040 A 99 ALA CA C 13 52.249 0.400 A 99 ALA CB C 13 18.936 0.400 A 99 ALA N N 15 123.511 0.400 A 100 ASP H H 1 8.383 0.040 A 100 ASP HA H 1 4.561 0.040 A 100 ASP HBx H 1 2.581 0.040 A 100 ASP HBy H 1 2.581 0.040 A 100 ASP CA C 13 53.912 0.400 A 100 ASP CB C 13 40.580 0.400 A 100 ASP N N 15 119.098 0.400 A 101 THR H H 1 8.017 0.040 A 101 THR HA H 1 4.517 0.040 A 101 THR HB H 1 4.090 0.040 A 101 THR HG2% H 1 1.190 0.040 A 101 THR CA C 13 59.551 0.400 A 101 THR CB C 13 69.589 0.400 A 101 THR CG2 C 13 21.033 0.400 A 101 THR N N 15 116.696 0.400 A 102 PRO HA H 1 4.336 0.040 A 102 PRO HBx H 1 2.258 0.040 A 102 PRO HBy H 1 2.258 0.040 A 102 PRO HDx H 1 3.796 0.040 A 102 PRO HDy H 1 3.796 0.040 A 102 PRO HGx H 1 1.941 0.040 A 102 PRO HGy H 1 1.941 0.040 A 102 PRO CA C 13 62.884 0.400 A 102 PRO CB C 13 31.767 0.400 A 102 PRO CD C 13 50.739 0.400 A 102 PRO CG C 13 27.092 0.400 A 103 ALA H H 1 8.333 0.040 A 103 ALA HA H 1 4.285 0.040 A 103 ALA HB% H 1 1.347 0.040 A 103 ALA CA C 13 52.017 0.400 A 103 ALA CB C 13 18.974 0.400 A 103 ALA N N 15 125.184 0.400 A 104 LEU H H 1 7.791 0.040 A 104 LEU HA H 1 4.124 0.040 A 104 LEU HBx H 1 1.541 0.040 A 104 LEU HBy H 1 1.541 0.040 A 104 LEU HDx% H 1 0.866 0.040 A 104 LEU HDy% H 1 0.824 0.040 A 104 LEU HG H 1 1.557 0.040 A 104 LEU CA C 13 56.362 0.400 A 104 LEU CB C 13 43.177 0.400 A 104 LEU CDy C 13 24.875 0.400 A 104 LEU CDx C 13 23.421 0.400 A 104 LEU CG C 13 27.013 0.400 A 104 LEU N N 15 127.505 0.400 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 72 CYS H A 73 LEU H 1.0 . 2.99 2 2 A 72 CYS H A 73 LEU HA 1.0 . 4.65 3 3 A 72 CYS H A 71 PRO HDx 1.0 . 3.74 4 3 A 72 CYS H A 71 PRO HDy 1.0 . 3.74 5 4 A 95 TRP H A 94 PRO HBx 1.0 . 4.16 6 4 A 94 PRO HBy A 95 TRP H 1.0 . 4.16 7 5 A 72 CYS H A 73 LEU HG 1.0 . 5.10 8 6 A 54 PHE HD% A 55 LEU H 1.0 . 4.49 9 7 A 60 CYS HA A 61 GLN HE2y 1.0 . 4.54 10 8 A 61 GLN HE2y A 61 GLN HBx 1.0 . 4.25 11 8 A 61 GLN HE2y A 61 GLN HBy 1.0 . 4.25 12 9 A 52 PHE H A 52 PHE HD% 1.0 . 4.52 13 10 A 56 ARG H A 64 ALA HB% 1.0 . 4.35 14 11 A 56 ARG H A 75 THR HG2% 1.0 . 4.67 15 12 A 95 TRP H A 96 PRO HDx 1.0 . 4.51 16 12 A 95 TRP H A 96 PRO HDy 1.0 . 4.51 17 13 A 55 LEU H A 67 PRO HGx 1.0 . 4.63 18 14 A 92 GLN H A 92 GLN HGx 1.0 . 3.59 19 14 A 92 GLN H A 92 GLN HGy 1.0 . 3.59 20 15 A 92 GLN H A 93 ALA H 1.0 . 3.74 21 16 A 90 ILE H A 91 CYS H 1.0 . 3.76 22 17 A 59 GLN H A 60 CYS H 1.0 . 2.85 23 18 A 60 CYS H A 59 GLN HE2y 1.0 . 4.15 24 19 A 60 CYS H A 61 GLN HA 1.0 . 4.36 25 20 A 85 GLY H A 87 GLN H 1.0 . 4.58 26 21 A 60 CYS H A 61 GLN HGx 1.0 . 4.42 27 22 A 59 GLN H A 61 GLN H 1.0 . 3.62 28 23 A 61 GLN H A 62 ALA H 1.0 . 3.22 29 24 A 61 GLN H A 59 GLN HA 1.0 . 4.54 30 25 A 61 GLN H A 58 GLN HA 1.0 . 4.34 31 26 A 84 SER H A 87 GLN HBy 1.0 . 4.78 32 27 A 84 SER H A 85 GLY HAy 1.0 . 4.87 33 28 A 87 GLN H A 84 SER H 1.0 . 4.80 34 29 A 62 ALA H A 57 CYS HA 1.0 . 5.22 35 30 A 62 ALA H A 57 CYS HBx 1.0 . 3.30 36 31 A 62 ALA H A 57 CYS HBy 1.0 . 4.01 37 32 A 85 GLY H A 84 SER H 1.0 . 3.02 38 33 A 56 ARG HA A 63 GLU H 1.0 . 5.20 39 34 A 63 GLU H A 62 ALA HA 1.0 . 2.56 40 35 A 54 PHE HD% A 64 ALA H 1.0 . 4.70 41 36 A 84 SER H A 82 GLU H 1.0 . 4.27 42 37 A 82 GLU H A 80 CYS H 1.0 . 4.28 43 38 A 80 CYS H A 78 SER H 1.0 . 4.34 44 39 A 80 CYS H A 77 CYS H 1.0 . 4.38 45 40 A 79 GLY H A 80 CYS HBy 1.0 . 4.84 46 41 A 97 LEU H A 96 PRO HBy 1.0 . 4.13 47 42 A 78 SER H A 80 CYS HBy 1.0 . 5.12 48 43 A 78 SER H A 67 PRO HDx 1.0 . 4.41 49 43 A 78 SER H A 67 PRO HDy 1.0 . 4.41 50 44 A 78 SER H A 77 CYS H 1.0 . 4.62 51 45 A 90 ILE H A 88 CYS H 1.0 . 5.50 52 46 A 87 GLN H A 88 CYS H 1.0 . 4.62 53 47 A 88 CYS H A 89 PRO HBx 1.0 . 5.03 54 48 A 88 CYS H A 76 LEU HDx% 1.0 . 5.50 55 49 A 49 GLU H1 A 50 GLU H 1.0 . 4.54 56 50 A 49 GLU H1 A 49 GLU HGx 1.0 . 4.78 57 50 A 49 GLU H1 A 49 GLU HGy 1.0 . 4.78 58 51 A 50 GLU H A 49 GLU HA 1.0 . 3.56 59 52 A 50 GLU H A 49 GLU HGx 1.0 . 4.87 60 52 A 50 GLU H A 49 GLU HGy 1.0 . 4.87 61 53 A 50 GLU H A 50 GLU HGx 1.0 . 5.13 62 53 A 50 GLU H A 50 GLU HGy 1.0 . 5.13 63 54 A 50 GLU HA A 51 GLU H 1.0 . 2.64 64 55 A 51 GLU H A 50 GLU HGx 1.0 . 3.59 65 55 A 50 GLU HGy A 51 GLU H 1.0 . 3.59 66 56 A 51 GLU H A 51 GLU HBx 1.0 . 2.95 67 56 A 51 GLU H A 51 GLU HBy 1.0 . 2.95 68 57 A 50 GLU H A 51 GLU H 1.0 . 4.72 69 58 A 53 GLN HA A 54 PHE H 1.0 . 3.19 70 59 A 53 GLN HE2x A 53 GLN HGx 1.0 . 4.07 71 59 A 53 GLN HGy A 53 GLN HE2x 1.0 . 4.07 72 60 A 55 LEU H A 54 PHE HA 1.0 . 3.08 73 61 A 54 PHE HD% A 54 PHE H 1.0 . 4.46 74 62 A 55 LEU H A 54 PHE H 1.0 . 4.50 75 63 A 54 PHE H A 55 LEU HA 1.0 . 4.99 76 64 A 55 LEU H A 64 ALA HB% 1.0 . 4.14 77 65 A 55 LEU H A 56 ARG H 1.0 . 4.56 78 66 A 56 ARG HA A 64 ALA H 1.0 . 3.22 79 67 A 61 GLN H A 56 ARG HDy 1.0 . 4.62 80 68 A 81 LEU H A 81 LEU HBy 1.0 . 2.65 81 69 A 63 GLU H A 56 ARG HGx 1.0 . 4.59 82 69 A 63 GLU H A 56 ARG HGy 1.0 . 4.59 83 70 A 64 ALA H A 56 ARG HGx 1.0 . 4.61 84 70 A 64 ALA H A 56 ARG HGy 1.0 . 4.61 85 71 A 57 CYS HA A 58 GLN H 1.0 . 2.52 86 72 A 59 GLN H A 57 CYS HA 1.0 . 3.80 87 73 A 61 GLN H A 57 CYS HA 1.0 . 4.73 88 74 A 57 CYS HA A 77 CYS H 1.0 . 4.23 89 75 A 57 CYS HBx A 58 GLN H 1.0 . 4.35 90 76 A 59 GLN H A 57 CYS HBx 1.0 . 4.06 91 77 A 60 CYS H A 57 CYS HBx 1.0 . 3.43 92 78 A 61 GLN H A 57 CYS HBx 1.0 . 3.16 93 79 A 57 CYS HBx A 77 CYS H 1.0 . 4.83 94 80 A 77 CYS H A 80 CYS HBy 1.0 . 3.44 95 81 A 58 GLN H A 75 THR H 1.0 . 4.69 96 82 A 61 GLN H A 58 GLN H 1.0 . 4.71 97 83 A 59 GLN H A 58 GLN HBx 1.0 . 3.59 98 83 A 59 GLN H A 58 GLN HBy 1.0 . 3.59 99 84 A 58 GLN H A 57 CYS H 1.0 . 4.55 100 85 A 77 CYS H A 58 GLN H 1.0 . 5.50 101 86 A 59 GLN H A 77 CYS H 1.0 . 5.50 102 87 A 59 GLN HA A 58 GLN H 1.0 . 5.34 103 88 A 58 GLN H A 59 GLN HGy 1.0 . 5.50 104 89 A 59 GLN H A 59 GLN HGy 1.0 . 3.76 105 90 A 60 CYS H A 59 GLN HGy 1.0 . 4.06 106 91 A 53 GLN HE2y A 53 GLN HGx 1.0 . 4.07 107 91 A 53 GLN HGy A 53 GLN HE2y 1.0 . 4.07 108 92 A 63 GLU H A 63 GLU HGy 1.0 . 4.24 109 93 A 59 GLN H A 60 CYS HBx 1.0 . 5.50 110 94 A 60 CYS H A 60 CYS HBx 1.0 . 3.67 111 95 A 61 GLN H A 60 CYS HBx 1.0 . 4.22 112 96 A 62 ALA H A 60 CYS HBx 1.0 . 4.26 113 97 A 60 CYS H A 60 CYS HBy 1.0 . 2.69 114 98 A 77 CYS H A 60 CYS HBy 1.0 . 4.86 115 99 A 60 CYS H A 61 GLN H 1.0 . 2.76 116 100 A 61 GLN H A 61 GLN HGy 1.0 . 3.51 117 101 A 61 GLN HE2y A 61 GLN HGy 1.0 . 3.29 118 102 A 62 ALA H A 61 GLN HBx 1.0 . 4.20 119 102 A 61 GLN HBy A 62 ALA H 1.0 . 4.20 120 103 A 61 GLN H A 62 ALA HB% 1.0 . 4.66 121 104 A 62 ALA H A 62 ALA HB% 1.0 . 2.71 122 105 A 63 GLU H A 62 ALA HB% 1.0 . 2.80 123 106 A 60 CYS H A 62 ALA H 1.0 . 3.99 124 107 A 63 GLU H A 63 GLU HGx 1.0 . 4.24 125 108 A 64 ALA H A 63 GLU HBx 1.0 . 3.39 126 108 A 64 ALA H A 63 GLU HBy 1.0 . 3.39 127 109 A 78 SER H A 67 PRO HA 1.0 . 4.03 128 110 A 65 LYS H A 65 LYS HGy 1.0 . 4.35 129 111 A 65 LYS H A 65 LYS HGx 1.0 . 4.35 130 112 A 78 SER H A 65 LYS HBx 1.0 . 4.65 131 112 A 78 SER H A 65 LYS HBy 1.0 . 4.65 132 113 A 79 GLY H A 81 LEU HBy 1.0 . 5.50 133 114 A 67 PRO HGy A 103 ALA H 1.0 . 4.50 134 115 A 65 LYS H A 77 CYS HBy 1.0 . 4.67 135 116 A 77 CYS HBy A 66 CYS H 1.0 . 4.72 136 117 A 68 LYS H A 69 LEU H 1.0 . 5.08 137 118 A 69 LEU H A 70 LEU H 1.0 . 5.35 138 119 A 69 LEU H A 68 LYS HA 1.0 . 3.15 139 120 A 69 LEU H A 69 LEU HBx 1.0 . 3.53 140 120 A 69 LEU H A 69 LEU HBy 1.0 . 3.53 141 121 A 72 CYS H A 70 LEU H 1.0 . 4.99 142 122 A 72 CYS H A 70 LEU HA 1.0 . 4.47 143 123 A 72 CYS H A 70 LEU HBx 1.0 . 3.34 144 123 A 72 CYS H A 70 LEU HBy 1.0 . 3.34 145 124 A 73 LEU H A 70 LEU HBx 1.0 . 4.06 146 124 A 73 LEU H A 70 LEU HBy 1.0 . 4.06 147 125 A 72 CYS H A 71 PRO HBx 1.0 . 4.11 148 125 A 72 CYS H A 71 PRO HBy 1.0 . 4.11 149 126 A 72 CYS H A 72 CYS HBy 1.0 . 3.71 150 127 A 72 CYS H A 72 CYS HBx 1.0 . 3.71 151 128 A 73 LEU H A 74 HIS H 1.0 . 3.72 152 129 A 73 LEU H A 73 LEU HA 1.0 . 2.77 153 130 A 73 LEU H A 73 LEU HG 1.0 . 4.11 154 131 A 72 CYS H A 74 HIS H 1.0 . 4.23 155 132 A 75 THR H A 74 HIS HA 1.0 . 2.95 156 133 A 75 THR H A 74 HIS HBx 1.0 . 3.38 157 134 A 58 GLN H A 75 THR HA 1.0 . 5.50 158 135 A 75 THR HA A 76 LEU H 1.0 . 3.27 159 136 A 76 LEU HDx% A 75 THR H 1.0 . 4.14 160 137 A 75 THR H A 90 ILE HG1x 1.0 . 4.35 161 137 A 75 THR H A 90 ILE HG1y 1.0 . 4.35 162 138 A 76 LEU HDx% A 76 LEU H 1.0 . 3.61 163 139 A 58 GLN H A 76 LEU HA 1.0 . 3.42 164 140 A 59 GLN H A 76 LEU HA 1.0 . 4.28 165 141 A 77 CYS H A 76 LEU HA 1.0 . 2.87 166 142 A 77 CYS H A 76 LEU HBx 1.0 . 3.60 167 143 A 77 CYS H A 76 LEU HG 1.0 . 4.01 168 144 A 77 CYS H A 76 LEU HDy% 1.0 . 4.06 169 145 A 80 CYS H A 76 LEU HDy% 1.0 . 4.96 170 146 A 60 CYS H A 77 CYS H 1.0 . 5.50 171 147 A 77 CYS H A 81 LEU H 1.0 . 4.70 172 148 A 64 ALA H A 77 CYS HBy 1.0 . 5.50 173 149 A 77 CYS H A 77 CYS HBy 1.0 . 3.96 174 150 A 78 SER H A 77 CYS HBy 1.0 . 2.98 175 151 A 79 GLY H A 77 CYS HBy 1.0 . 3.69 176 152 A 80 CYS H A 77 CYS HBy 1.0 . 4.36 177 153 A 60 CYS H A 77 CYS HBx 1.0 . 5.50 178 154 A 65 LYS H A 65 LYS HEx 1.0 . 4.62 179 154 A 65 LYS H A 65 LYS HEy 1.0 . 4.62 180 155 A 77 CYS H A 77 CYS HBx 1.0 . 3.41 181 156 A 78 SER H A 77 CYS HBx 1.0 . 3.92 182 157 A 79 GLY H A 65 LYS HEx 1.0 . 4.71 183 157 A 79 GLY H A 65 LYS HEy 1.0 . 4.71 184 158 A 80 CYS H A 77 CYS HBx 1.0 . 4.71 185 159 A 78 SER H A 79 GLY H 1.0 . 3.19 186 160 A 78 SER H A 78 SER HBx 1.0 . 2.94 187 160 A 78 SER H A 78 SER HBy 1.0 . 2.94 188 161 A 79 GLY H A 79 GLY HAx 1.0 . 2.59 189 162 A 79 GLY H A 78 SER HBx 1.0 . 3.03 190 162 A 79 GLY H A 78 SER HBy 1.0 . 3.03 191 163 A 79 GLY HAy A 83 ALA H 1.0 . 4.54 192 164 A 80 CYS H A 79 GLY H 1.0 . 3.02 193 165 A 80 CYS H A 79 GLY HAx 1.0 . 3.11 194 166 A 81 LEU H A 80 CYS HBx 1.0 . 4.04 195 167 A 80 CYS H A 80 CYS HBy 1.0 . 3.31 196 168 A 78 SER H A 65 LYS H 1.0 . 4.48 197 169 A 80 CYS H A 81 LEU H 1.0 . 3.15 198 170 A 82 GLU H A 81 LEU H 1.0 . 2.97 199 171 A 81 LEU H A 83 ALA H 1.0 . 4.48 200 172 A 84 SER H A 81 LEU H 1.0 . 4.78 201 173 A 80 CYS H A 81 LEU HA 1.0 . 5.28 202 174 A 80 CYS H A 76 LEU HBx 1.0 . 4.71 203 175 A 83 ALA H A 81 LEU HBx 1.0 . 5.50 204 176 A 84 SER H A 86 MET H 1.0 . 4.45 205 177 A 85 GLY H A 84 SER HBx 1.0 . 4.12 206 177 A 85 GLY H A 84 SER HBy 1.0 . 4.12 207 178 A 82 GLU H A 82 GLU HBy 1.0 . 2.62 208 179 A 83 ALA H A 82 GLU HBy 1.0 . 3.52 209 180 A 80 CYS H A 83 ALA H 1.0 . 4.80 210 181 A 82 GLU H A 83 ALA H 1.0 . 2.99 211 182 A 84 SER H A 84 SER HBx 1.0 . 2.91 212 182 A 84 SER H A 84 SER HBy 1.0 . 2.91 213 183 A 87 GLN H A 84 SER HBx 1.0 . 3.52 214 183 A 87 GLN H A 84 SER HBy 1.0 . 3.52 215 184 A 85 GLY H A 82 GLU HA 1.0 . 3.99 216 185 A 86 MET H A 82 GLU HA 1.0 . 4.61 217 186 A 85 GLY H A 85 GLY HAy 1.0 . 2.54 218 187 A 85 GLY H A 86 MET H 1.0 . 3.34 219 188 A 87 GLN H A 86 MET H 1.0 . 3.27 220 189 A 85 GLY HAy A 86 MET H 1.0 . 3.27 221 190 A 87 GLN H A 87 GLN HBy 1.0 . 3.46 222 191 A 88 CYS H A 89 PRO HGx 1.0 . 4.79 223 191 A 88 CYS H A 89 PRO HGy 1.0 . 4.79 224 192 A 87 GLN H A 86 MET HBx 1.0 . 3.93 225 192 A 87 GLN H A 86 MET HBy 1.0 . 3.93 226 193 A 87 GLN H A 88 CYS HA 1.0 . 5.50 227 194 A 88 CYS H A 88 CYS HBx 1.0 . 3.15 228 194 A 88 CYS H A 88 CYS HBy 1.0 . 3.15 229 195 A 90 ILE H A 89 PRO HDx 1.0 . 4.43 230 195 A 90 ILE H A 89 PRO HDy 1.0 . 4.43 231 196 A 90 ILE H A 89 PRO HGx 1.0 . 4.70 232 196 A 90 ILE H A 89 PRO HGy 1.0 . 4.70 233 197 A 92 GLN H A 90 ILE H 1.0 . 4.80 234 198 A 90 ILE H A 90 ILE HB 1.0 . 3.60 235 199 A 91 CYS H A 90 ILE HB 1.0 . 3.57 236 200 A 58 GLN H A 90 ILE HD1% 1.0 . 4.18 237 201 A 92 GLN H A 90 ILE HD1% 1.0 . 5.50 238 202 A 90 ILE H A 90 ILE HG1x 1.0 . 4.05 239 202 A 90 ILE H A 90 ILE HG1y 1.0 . 4.05 240 203 A 92 GLN H A 91 CYS H 1.0 . 3.52 241 204 A 93 ALA H A 91 CYS H 1.0 . 4.63 242 205 A 93 ALA H A 92 GLN HBx 1.0 . 4.75 243 205 A 93 ALA H A 92 GLN HBy 1.0 . 4.75 244 206 A 93 ALA H A 93 ALA HB% 1.0 . 3.35 245 207 A 97 LEU H A 96 PRO HBx 1.0 . 4.13 246 208 A 97 LEU HA A 98 GLY H 1.0 . 3.12 247 209 A 97 LEU H A 97 LEU HG 1.0 . 3.07 248 210 A 98 GLY H A 97 LEU HG 1.0 . 4.05 249 211 A 64 ALA HB% A 65 LYS H 1.0 . 3.71 250 212 A 98 GLY H A 99 ALA H 1.0 . 4.16 251 213 A 99 ALA H A 99 ALA HB% 1.0 . 3.46 252 214 A 99 ALA HB% A 100 ASP H 1.0 . 4.49 253 215 A 100 ASP H A 101 THR H 1.0 . 4.49 254 216 A 100 ASP H A 100 ASP HBx 1.0 . 3.98 255 216 A 100 ASP H A 100 ASP HBy 1.0 . 3.98 256 217 A 101 THR H A 100 ASP HBx 1.0 . 4.11 257 217 A 101 THR H A 100 ASP HBy 1.0 . 4.11 258 218 A 101 THR H A 100 ASP HA 1.0 . 3.02 259 219 A 101 THR H A 101 THR HB 1.0 . 3.54 260 220 A 81 LEU H A 68 LYS HGx 1.0 . 5.22 261 220 A 81 LEU H A 68 LYS HGy 1.0 . 5.22 262 221 A 101 THR H A 101 THR HG2% 1.0 . 4.18 263 222 A 69 LEU H A 68 LYS HGx 1.0 . 4.70 264 222 A 69 LEU H A 68 LYS HGy 1.0 . 4.70 265 223 A 103 ALA H A 102 PRO HBx 1.0 . 4.61 266 223 A 103 ALA H A 102 PRO HBy 1.0 . 4.61 267 224 A 103 ALA H A 104 LEU H 1.0 . 4.74 268 225 A 103 ALA H A 102 PRO HA 1.0 . 2.93 269 226 A 104 LEU H A 103 ALA HA 1.0 . 3.13 270 227 A 103 ALA H A 103 ALA HB% 1.0 . 3.55 271 228 A 104 LEU H A 103 ALA HB% 1.0 . 4.49 272 229 A 104 LEU H A 104 LEU HBx 1.0 . 3.57 273 229 A 104 LEU H A 104 LEU HBy 1.0 . 3.57 274 230 A 83 ALA H A 84 SER HA 1.0 . 5.50 275 231 A 101 THR H A 99 ALA HA 1.0 . 5.50 276 232 A 91 CYS H A 90 ILE HD1% 1.0 . 4.48 277 233 A 91 CYS H A 92 GLN HGx 1.0 . 5.33 278 233 A 92 GLN HGy A 91 CYS H 1.0 . 5.33 279 234 A 52 PHE HA A 53 GLN H 1.0 . 2.91 280 235 A 57 CYS HA A 90 ILE HD1% 1.0 . 5.50 281 236 A 90 ILE HD1% A 75 THR HB 1.0 . 5.50 282 237 A 76 LEU HG A 80 CYS HA 1.0 . 5.25 283 238 A 76 LEU HDy% A 89 PRO HA 1.0 . 5.50 284 239 A 76 LEU HDx% A 89 PRO HA 1.0 . 5.50 285 240 A 89 PRO HA A 90 ILE HG1x 1.0 . 5.50 286 240 A 90 ILE HG1y A 89 PRO HA 1.0 . 5.50 287 241 A 67 PRO HA A 77 CYS HA 1.0 . 3.15 288 242 A 101 THR HB A 102 PRO HA 1.0 . 4.98 289 243 A 102 PRO HA A 55 LEU HG 1.0 . 4.81 290 244 A 90 ILE HA A 91 CYS HA 1.0 . 5.50 291 245 A 67 PRO HA A 77 CYS HBy 1.0 . 4.62 292 246 A 67 PRO HA A 68 LYS HBx 1.0 . 4.52 293 246 A 67 PRO HA A 68 LYS HBy 1.0 . 4.52 294 247 A 58 GLN H A 90 ILE HG2% 1.0 . 5.50 295 248 A 59 GLN H A 90 ILE HG2% 1.0 . 5.50 296 249 A 66 CYS HA A 78 SER HBx 1.0 . 4.26 297 249 A 78 SER HBy A 66 CYS HA 1.0 . 4.26 298 250 A 78 SER HBy A 66 CYS HBy 1.0 . 4.69 299 250 A 66 CYS HBy A 78 SER HBx 1.0 . 4.69 300 251 A 64 ALA HB% A 55 LEU HBx 1.0 . 3.98 301 251 A 64 ALA HB% A 55 LEU HBy 1.0 . 3.98 302 252 A 75 THR HA A 69 LEU HA 1.0 . 3.48 303 253 A 64 ALA HB% A 76 LEU HA 1.0 . 5.03 304 254 A 75 THR HA A 69 LEU HDx% 1.0 . 4.37 305 254 A 75 THR HA A 69 LEU HDy% 1.0 . 4.37 306 255 A 81 LEU HBy A 78 SER HA 1.0 . 3.44 307 256 A 82 GLU HBx A 83 ALA HB% 1.0 . 3.78 308 257 A 60 CYS HA A 59 GLN HA 1.0 . 4.59 309 258 A 85 GLY HAy A 82 GLU HA 1.0 . 3.73 310 259 A 82 GLU HA A 82 GLU HBx 1.0 . 3.00 311 260 A 57 CYS HA A 56 ARG HBx 1.0 . 5.20 312 260 A 57 CYS HA A 56 ARG HBy 1.0 . 5.20 313 261 A 74 HIS HA A 58 GLN HBx 1.0 . 5.50 314 261 A 58 GLN HBy A 74 HIS HA 1.0 . 5.50 315 262 A 74 HIS HA A 70 LEU HBx 1.0 . 5.50 316 262 A 70 LEU HBy A 74 HIS HA 1.0 . 5.50 317 263 A 74 HIS HA A 69 LEU HDx% 1.0 . 5.50 318 263 A 74 HIS HA A 69 LEU HDy% 1.0 . 5.50 319 264 A 61 GLN HA A 56 ARG HDx 1.0 . 3.88 320 265 A 64 ALA HB% A 62 ALA HB% 1.0 . 5.10 321 266 A 57 CYS HBx A 62 ALA HB% 1.0 . 4.08 322 267 A 59 GLN HA A 59 GLN HGx 1.0 . 3.69 323 268 A 59 GLN HA A 90 ILE HD1% 1.0 . 3.59 324 269 A 84 SER HA A 84 SER HBx 1.0 . 2.95 325 269 A 84 SER HBy A 84 SER HA 1.0 . 2.95 326 270 A 54 PHE HD% A 63 GLU HA 1.0 . 5.10 327 271 A 56 ARG HA A 63 GLU HA 1.0 . 3.19 328 272 A 63 GLU HA A 56 ARG HBx 1.0 . 4.64 329 272 A 56 ARG HBy A 63 GLU HA 1.0 . 4.64 330 273 A 62 ALA HB% A 63 GLU HA 1.0 . 5.04 331 274 A 63 GLU HA A 56 ARG HGx 1.0 . 3.69 332 274 A 56 ARG HGy A 63 GLU HA 1.0 . 3.69 333 275 A 76 LEU HBx A 77 CYS HA 1.0 . 4.41 334 276 A 64 ALA HB% A 77 CYS HA 1.0 . 3.30 335 277 A 73 LEU HA A 73 LEU HG 1.0 . 3.61 336 278 A 52 PHE HD% A 51 GLU HA 1.0 . 5.14 337 279 A 95 TRP HA A 96 PRO HDx 1.0 . 3.33 338 279 A 96 PRO HDy A 95 TRP HA 1.0 . 3.33 339 280 A 57 CYS HBx A 56 ARG HA 1.0 . 5.03 340 281 A 66 CYS HA A 78 SER HA 1.0 . 5.50 341 282 A 69 LEU HA A 69 LEU HDx% 1.0 . 3.04 342 282 A 69 LEU HA A 69 LEU HDy% 1.0 . 3.04 343 283 A 62 ALA HA A 63 GLU HA 1.0 . 4.38 344 284 A 76 LEU HA A 59 GLN HGx 1.0 . 5.12 345 285 A 92 GLN HA A 93 ALA HA 1.0 . 4.72 346 286 A 80 CYS HBx A 89 PRO HDx 1.0 . 4.98 347 286 A 80 CYS HBx A 89 PRO HDy 1.0 . 4.98 348 287 A 76 LEU HDx% A 59 GLN HGx 1.0 . 3.92 349 288 A 89 PRO HBx A 76 LEU HDx% 1.0 . 4.98 350 289 A 63 GLU HA A 64 ALA HA 1.0 . 4.52 351 290 A 76 LEU HDx% A 74 HIS HBy 1.0 . 3.99 352 291 A 57 CYS HBx A 64 ALA HA 1.0 . 5.50 353 292 A 76 LEU HDx% A 74 HIS HA 1.0 . 5.46 354 293 A 62 ALA HB% A 64 ALA HA 1.0 . 5.07 355 294 A 85 GLY HAx A 86 MET HBx 1.0 . 4.78 356 294 A 86 MET HBy A 85 GLY HAx 1.0 . 4.78 357 295 A 76 LEU HBy A 68 LYS HGx 1.0 . 5.50 358 295 A 68 LYS HGy A 76 LEU HBy 1.0 . 5.50 359 296 A 88 CYS HBy A 70 LEU HDx% 1.0 . 4.95 360 296 A 70 LEU HDx% A 88 CYS HBx 1.0 . 4.95 361 297 A 76 LEU HBx A 67 PRO HBx 1.0 . 5.38 362 297 A 76 LEU HBx A 67 PRO HBy 1.0 . 5.38 363 298 A 53 GLN HGy A 104 LEU HBx 1.0 . 4.47 364 298 A 104 LEU HBy A 53 GLN HGx 1.0 . 4.47 365 298 A 53 GLN HGy A 104 LEU HBy 1.0 . 4.47 366 298 A 53 GLN HGx A 104 LEU HBx 1.0 . 4.47 367 299 A 89 PRO HBx A 76 LEU HDy% 1.0 . 4.65 368 300 A 55 LEU HBx A 67 PRO HDx 1.0 . 4.93 369 300 A 55 LEU HBy A 67 PRO HDx 1.0 . 4.93 370 300 A 67 PRO HDy A 55 LEU HBx 1.0 . 4.93 371 300 A 67 PRO HDy A 55 LEU HBy 1.0 . 4.93 372 301 A 76 LEU HA A 76 LEU HDy% 1.0 . 3.92 373 302 A 57 CYS HA A 56 ARG HDy 1.0 . 4.73 374 303 A 56 ARG HDy A 61 GLN HBx 1.0 . 4.39 375 303 A 61 GLN HBy A 56 ARG HDy 1.0 . 4.39 376 304 A 56 ARG HDy A 56 ARG HBx 1.0 . 3.10 377 304 A 56 ARG HDy A 56 ARG HBy 1.0 . 3.10 378 305 A 56 ARG HDx A 61 GLN HBx 1.0 . 4.03 379 305 A 61 GLN HBy A 56 ARG HDx 1.0 . 4.03 380 306 A 67 PRO HGy A 55 LEU HG 1.0 . 4.46 381 307 A 64 ALA HB% A 67 PRO HGx 1.0 . 3.52 382 308 A 69 LEU HG A 102 PRO HDx 1.0 . 3.82 383 308 A 69 LEU HG A 102 PRO HDy 1.0 . 3.82 384 309 A 59 GLN HGy A 90 ILE HD1% 1.0 . 4.64 385 310 A 54 PHE HD% A 53 GLN HGx 1.0 . 4.83 386 310 A 54 PHE HD% A 53 GLN HGy 1.0 . 4.83 387 311 A 61 GLN HA A 61 GLN HGy 1.0 . 3.16 388 312 A 56 ARG HDy A 61 GLN HGy 1.0 . 4.64 389 313 A 80 CYS HBy A 76 LEU HG 1.0 . 4.08 390 314 A 59 GLN HA A 60 CYS HBy 1.0 . 5.50 391 315 A 60 CYS HBy A 77 CYS HBy 1.0 . 5.32 392 316 A 60 CYS HBy A 77 CYS HBx 1.0 . 4.11 393 317 A 61 GLN HA A 56 ARG HBx 1.0 . 4.64 394 317 A 61 GLN HA A 56 ARG HBy 1.0 . 4.64 395 318 A 80 CYS HBx A 59 GLN HBx 1.0 . 5.50 396 319 A 57 CYS HBx A 56 ARG HDy 1.0 . 4.71 397 320 A 57 CYS HBx A 77 CYS HBx 1.0 . 3.68 398 321 A 57 CYS HBx A 76 LEU HG 1.0 . 5.50 399 322 A 88 CYS HBy A 70 LEU HDy% 1.0 . 4.95 400 322 A 70 LEU HDy% A 88 CYS HBx 1.0 . 4.95 401 323 A 57 CYS HBy A 56 ARG HA 1.0 . 4.72 402 324 A 88 CYS HBx A 89 PRO HGx 1.0 . 5.38 403 324 A 88 CYS HBy A 89 PRO HGx 1.0 . 5.38 404 324 A 89 PRO HGy A 88 CYS HBx 1.0 . 5.38 405 324 A 89 PRO HGy A 88 CYS HBy 1.0 . 5.38 406 325 A 57 CYS HBy A 77 CYS HBy 1.0 . 3.77 407 326 A 57 CYS HBy A 62 ALA HB% 1.0 . 4.68 408 327 A 49 GLU HA A 49 GLU HGx 1.0 . 3.96 409 327 A 49 GLU HGy A 49 GLU HA 1.0 . 3.96 410 328 A 50 GLU HBx A 50 GLU HGx 1.0 . 2.79 411 328 A 50 GLU HBy A 50 GLU HGx 1.0 . 2.79 412 328 A 50 GLU HGy A 50 GLU HBx 1.0 . 2.79 413 328 A 50 GLU HGy A 50 GLU HBy 1.0 . 2.79 414 329 A 51 GLU HA A 51 GLU HBx 1.0 . 2.85 415 329 A 51 GLU HBy A 51 GLU HA 1.0 . 2.85 416 330 A 54 PHE HD% A 54 PHE HA 1.0 . 3.38 417 331 A 54 PHE HD% A 55 LEU HA 1.0 . 5.50 418 332 A 75 THR HG2% A 67 PRO HA 1.0 . 4.82 419 333 A 55 LEU HG A 55 LEU HBx 1.0 . 2.53 420 333 A 55 LEU HG A 55 LEU HBy 1.0 . 2.53 421 334 A 54 PHE HA A 55 LEU HDx% 1.0 . 4.51 422 334 A 54 PHE HA A 55 LEU HDy% 1.0 . 4.51 423 335 A 55 LEU HBy A 55 LEU HDx% 1.0 . 3.09 424 335 A 55 LEU HBx A 55 LEU HDx% 1.0 . 3.09 425 335 A 55 LEU HDy% A 55 LEU HBx 1.0 . 3.09 426 335 A 55 LEU HBy A 55 LEU HDy% 1.0 . 3.09 427 336 A 56 ARG HA A 56 ARG HDy 1.0 . 4.20 428 337 A 56 ARG HA A 56 ARG HDx 1.0 . 4.75 429 338 A 64 ALA HB% A 56 ARG HA 1.0 . 4.19 430 339 A 56 ARG HDx A 56 ARG HBx 1.0 . 3.45 431 339 A 56 ARG HBy A 56 ARG HDx 1.0 . 3.45 432 340 A 56 ARG HBx A 56 ARG HGx 1.0 . 2.40 433 340 A 56 ARG HBy A 56 ARG HGx 1.0 . 2.40 434 340 A 56 ARG HGy A 56 ARG HBx 1.0 . 2.40 435 340 A 56 ARG HGy A 56 ARG HBy 1.0 . 2.40 436 341 A 61 GLN HA A 56 ARG HGx 1.0 . 3.33 437 341 A 61 GLN HA A 56 ARG HGy 1.0 . 3.33 438 342 A 56 ARG HGx A 61 GLN HBx 1.0 . 4.74 439 342 A 56 ARG HGy A 61 GLN HBx 1.0 . 4.74 440 342 A 61 GLN HBy A 56 ARG HGx 1.0 . 4.74 441 342 A 61 GLN HBy A 56 ARG HGy 1.0 . 4.74 442 343 A 57 CYS HA A 76 LEU HA 1.0 . 3.29 443 344 A 76 LEU HBx A 80 CYS HA 1.0 . 5.50 444 345 A 76 LEU HBx A 89 PRO HDx 1.0 . 5.50 445 345 A 76 LEU HBx A 89 PRO HDy 1.0 . 5.50 446 346 A 76 LEU HDx% A 89 PRO HDx 1.0 . 3.41 447 346 A 76 LEU HDx% A 89 PRO HDy 1.0 . 3.41 448 347 A 60 CYS HA A 57 CYS HBx 1.0 . 4.71 449 348 A 57 CYS HBx A 60 CYS HBy 1.0 . 3.93 450 349 A 57 CYS HBy A 64 ALA HA 1.0 . 4.26 451 350 A 57 CYS HBy A 76 LEU HA 1.0 . 4.36 452 351 A 59 GLN HA A 58 GLN HA 1.0 . 4.64 453 352 A 90 ILE HD1% A 58 GLN HBx 1.0 . 3.06 454 352 A 58 GLN HBy A 90 ILE HD1% 1.0 . 3.06 455 353 A 90 ILE HG2% A 58 GLN HBx 1.0 . 4.51 456 353 A 58 GLN HBy A 90 ILE HG2% 1.0 . 4.51 457 354 A 59 GLN HA A 76 LEU HDx% 1.0 . 4.66 458 355 A 76 LEU HDx% A 59 GLN HBx 1.0 . 3.68 459 356 A 59 GLN HBx A 89 PRO HGx 1.0 . 4.55 460 356 A 89 PRO HGy A 59 GLN HBx 1.0 . 4.55 461 357 A 90 ILE HD1% A 59 GLN HBx 1.0 . 3.92 462 358 A 59 GLN HGy A 76 LEU HG 1.0 . 3.90 463 359 A 60 CYS HA A 59 GLN HBy 1.0 . 5.22 464 360 A 59 GLN HGy A 80 CYS HBx 1.0 . 4.38 465 361 A 80 CYS HBy A 59 GLN HGy 1.0 . 4.32 466 362 A 60 CYS HA A 59 GLN HGx 1.0 . 4.06 467 363 A 60 CYS HBx A 59 GLN HGx 1.0 . 4.75 468 364 A 60 CYS H A 59 GLN HBx 1.0 . 4.79 469 365 A 60 CYS HBx A 62 ALA HB% 1.0 . 4.23 470 366 A 61 GLN HA A 56 ARG HDy 1.0 . 3.87 471 367 A 61 GLN HA A 57 CYS HBx 1.0 . 4.40 472 368 A 60 CYS HA A 61 GLN HA 1.0 . 5.45 473 369 A 61 GLN HA A 60 CYS HBx 1.0 . 5.33 474 370 A 61 GLN HA A 61 GLN HBx 1.0 . 2.86 475 370 A 61 GLN HBy A 61 GLN HA 1.0 . 2.86 476 371 A 62 ALA HA A 61 GLN HBx 1.0 . 4.66 477 371 A 61 GLN HBy A 62 ALA HA 1.0 . 4.66 478 372 A 62 ALA HB% A 61 GLN HBx 1.0 . 4.15 479 372 A 61 GLN HBy A 62 ALA HB% 1.0 . 4.15 480 373 A 60 CYS HA A 62 ALA HB% 1.0 . 5.16 481 374 A 60 CYS HBy A 62 ALA HB% 1.0 . 4.63 482 375 A 58 GLN HA A 58 GLN HBx 1.0 . 2.88 483 375 A 58 GLN HA A 58 GLN HBy 1.0 . 2.88 484 376 A 63 GLU HA A 63 GLU HGy 1.0 . 3.52 485 377 A 63 GLU HA A 63 GLU HGx 1.0 . 3.52 486 378 A 63 GLU HA A 63 GLU HBx 1.0 . 2.85 487 378 A 63 GLU HBy A 63 GLU HA 1.0 . 2.85 488 379 A 64 ALA HB% A 56 ARG HGx 1.0 . 4.62 489 379 A 64 ALA HB% A 56 ARG HGy 1.0 . 4.62 490 380 A 64 ALA HB% A 63 GLU HA 1.0 . 4.60 491 381 A 64 ALA HB% A 77 CYS HBy 1.0 . 3.76 492 382 A 64 ALA HB% A 77 CYS HBx 1.0 . 3.51 493 383 A 64 ALA HB% A 65 LYS HA 1.0 . 5.10 494 384 A 77 CYS HBy A 78 SER HA 1.0 . 5.14 495 385 A 77 CYS HA A 68 LYS HGx 1.0 . 5.50 496 385 A 68 LYS HGy A 77 CYS HA 1.0 . 5.50 497 386 A 78 SER HA A 68 LYS HGx 1.0 . 4.42 498 386 A 68 LYS HGy A 78 SER HA 1.0 . 4.42 499 387 A 68 LYS HGx A 78 SER HBx 1.0 . 4.78 500 387 A 68 LYS HGy A 78 SER HBx 1.0 . 4.78 501 387 A 78 SER HBy A 68 LYS HGx 1.0 . 4.78 502 387 A 78 SER HBy A 68 LYS HGy 1.0 . 4.78 503 388 A 64 ALA HA A 63 GLU HBx 1.0 . 4.71 504 388 A 63 GLU HBy A 64 ALA HA 1.0 . 4.71 505 389 A 64 ALA HA A 65 LYS HBx 1.0 . 5.00 506 389 A 65 LYS HBy A 64 ALA HA 1.0 . 5.00 507 390 A 65 LYS HBy A 65 LYS HEx 1.0 . 3.94 508 390 A 65 LYS HBx A 65 LYS HEx 1.0 . 3.94 509 390 A 65 LYS HEy A 65 LYS HBx 1.0 . 3.94 510 390 A 65 LYS HBy A 65 LYS HEy 1.0 . 3.94 511 391 A 77 CYS HBy A 65 LYS HBx 1.0 . 4.77 512 391 A 65 LYS HBy A 77 CYS HBy 1.0 . 4.77 513 392 A 65 LYS HDy A 78 SER HBx 1.0 . 5.29 514 392 A 65 LYS HDx A 78 SER HBx 1.0 . 5.29 515 392 A 78 SER HBy A 65 LYS HDx 1.0 . 5.29 516 392 A 78 SER HBy A 65 LYS HDy 1.0 . 5.29 517 393 A 65 LYS HA A 65 LYS HEx 1.0 . 4.64 518 393 A 65 LYS HEy A 65 LYS HA 1.0 . 4.64 519 394 A 65 LYS HEx A 65 LYS HGx 1.0 . 3.90 520 394 A 65 LYS HEy A 65 LYS HGx 1.0 . 3.90 521 395 A 65 LYS HEx A 78 SER HBx 1.0 . 4.47 522 395 A 65 LYS HEy A 78 SER HBx 1.0 . 4.47 523 395 A 78 SER HBy A 65 LYS HEx 1.0 . 4.47 524 395 A 65 LYS HEy A 78 SER HBy 1.0 . 4.47 525 396 A 67 PRO HGy A 103 ALA HB% 1.0 . 3.28 526 397 A 76 LEU HBy A 67 PRO HBx 1.0 . 5.50 527 397 A 76 LEU HBy A 67 PRO HBy 1.0 . 5.50 528 398 A 67 PRO HDy A 102 PRO HBx 1.0 . 5.20 529 398 A 67 PRO HDx A 102 PRO HBx 1.0 . 5.20 530 398 A 102 PRO HBy A 67 PRO HDx 1.0 . 5.20 531 398 A 67 PRO HDy A 102 PRO HBy 1.0 . 5.20 532 399 A 68 LYS HA A 68 LYS HGx 1.0 . 3.61 533 399 A 68 LYS HA A 68 LYS HGy 1.0 . 3.61 534 400 A 68 LYS HA A 69 LEU HDx% 1.0 . 5.18 535 400 A 68 LYS HA A 69 LEU HDy% 1.0 . 5.18 536 401 A 68 LYS HDx A 68 LYS HGx 1.0 . 2.53 537 401 A 68 LYS HDy A 68 LYS HGx 1.0 . 2.53 538 401 A 68 LYS HGy A 68 LYS HDx 1.0 . 2.53 539 401 A 68 LYS HGy A 68 LYS HDy 1.0 . 2.53 540 402 A 68 LYS HBy A 68 LYS HEx 1.0 . 4.59 541 402 A 68 LYS HBx A 68 LYS HEx 1.0 . 4.59 542 402 A 68 LYS HEy A 68 LYS HBx 1.0 . 4.59 543 402 A 68 LYS HBy A 68 LYS HEy 1.0 . 4.59 544 403 A 67 PRO HA A 68 LYS HGx 1.0 . 4.26 545 403 A 67 PRO HA A 68 LYS HGy 1.0 . 4.26 546 404 A 65 LYS HEy A 65 LYS HGy 1.0 . 3.90 547 404 A 65 LYS HGy A 65 LYS HEx 1.0 . 3.90 548 405 A 68 LYS HEy A 68 LYS HGx 1.0 . 3.57 549 405 A 68 LYS HEx A 68 LYS HGx 1.0 . 3.57 550 405 A 68 LYS HGy A 68 LYS HEx 1.0 . 3.57 551 405 A 68 LYS HGy A 68 LYS HEy 1.0 . 3.57 552 406 A 57 CYS HBy A 76 LEU HG 1.0 . 5.50 553 407 A 70 LEU HG A 71 PRO HDx 1.0 . 4.60 554 407 A 71 PRO HDy A 70 LEU HG 1.0 . 4.60 555 408 A 80 CYS HBy A 89 PRO HGx 1.0 . 5.50 556 408 A 80 CYS HBy A 89 PRO HGy 1.0 . 5.50 557 409 A 73 LEU HG A 73 LEU HBx 1.0 . 2.75 558 409 A 73 LEU HG A 73 LEU HBy 1.0 . 2.75 559 410 A 73 LEU HA A 73 LEU HDx% 1.0 . 4.04 560 411 A 73 LEU HBy A 73 LEU HDx% 1.0 . 3.28 561 411 A 73 LEU HDx% A 73 LEU HBx 1.0 . 3.28 562 412 A 73 LEU HBy A 73 LEU HDy% 1.0 . 3.28 563 412 A 73 LEU HBx A 73 LEU HDy% 1.0 . 3.28 564 413 A 74 HIS HA A 75 THR HA 1.0 . 4.61 565 414 A 74 HIS HA A 90 ILE HD1% 1.0 . 5.50 566 415 A 74 HIS HBy A 70 LEU HBx 1.0 . 5.03 567 415 A 70 LEU HBy A 74 HIS HBy 1.0 . 5.03 568 416 A 76 LEU HDy% A 74 HIS HBy 1.0 . 5.31 569 417 A 90 ILE HD1% A 74 HIS HBy 1.0 . 5.27 570 418 A 74 HIS HBx A 90 ILE HB 1.0 . 5.13 571 419 A 74 HIS HBx A 90 ILE HG2% 1.0 . 4.28 572 420 A 75 THR H A 90 ILE HD1% 1.0 . 4.53 573 421 A 75 THR H A 90 ILE HG2% 1.0 . 4.31 574 422 A 67 PRO HGy A 66 CYS HA 1.0 . 4.56 575 423 A 75 THR HG2% A 75 THR HA 1.0 . 3.23 576 424 A 75 THR HB A 58 GLN HGy 1.0 . 3.98 577 425 A 75 THR HB A 58 GLN HGx 1.0 . 3.98 578 426 A 57 CYS HBx A 76 LEU HA 1.0 . 5.02 579 427 A 76 LEU HA A 75 THR HB 1.0 . 5.19 580 428 A 75 THR HG2% A 76 LEU HA 1.0 . 4.44 581 429 A 76 LEU HA A 76 LEU HG 1.0 . 4.03 582 430 A 76 LEU HA A 77 CYS HA 1.0 . 5.18 583 431 A 76 LEU HDx% A 76 LEU HBx 1.0 . 3.33 584 432 A 76 LEU HBx A 80 CYS HBx 1.0 . 4.04 585 433 A 80 CYS HBx A 76 LEU HBy 1.0 . 4.42 586 434 A 74 HIS HBy A 70 LEU HG 1.0 . 5.00 587 435 A 76 LEU HDy% A 76 LEU HBy 1.0 . 3.86 588 436 A 64 ALA HB% A 57 CYS HA 1.0 . 3.74 589 437 A 75 THR HG2% A 57 CYS HA 1.0 . 4.07 590 438 A 64 ALA HB% A 57 CYS HBx 1.0 . 4.37 591 439 A 64 ALA HB% A 57 CYS HBy 1.0 . 3.55 592 440 A 59 GLN HA A 90 ILE HG1x 1.0 . 5.36 593 440 A 59 GLN HA A 90 ILE HG1y 1.0 . 5.36 594 441 A 76 LEU HDx% A 59 GLN HGy 1.0 . 4.74 595 442 A 76 LEU HDx% A 76 LEU HA 1.0 . 2.82 596 443 A 76 LEU HBx A 76 LEU HDy% 1.0 . 3.53 597 444 A 76 LEU HDy% A 80 CYS HA 1.0 . 5.15 598 445 A 76 LEU HDy% A 80 CYS HBx 1.0 . 3.70 599 446 A 76 LEU HDx% A 89 PRO HGx 1.0 . 3.44 600 446 A 76 LEU HDx% A 89 PRO HGy 1.0 . 3.44 601 447 A 57 CYS HA A 77 CYS HA 1.0 . 4.95 602 448 A 57 CYS HBy A 77 CYS HA 1.0 . 4.17 603 449 A 77 CYS HA A 64 ALA HA 1.0 . 3.95 604 450 A 75 THR HA A 76 LEU HA 1.0 . 5.08 605 451 A 77 CYS HA A 78 SER HA 1.0 . 4.49 606 452 A 77 CYS HBy A 64 ALA HA 1.0 . 3.65 607 453 A 57 CYS HA A 77 CYS HBx 1.0 . 4.11 608 454 A 60 CYS HBx A 77 CYS HBx 1.0 . 5.15 609 455 A 77 CYS HBx A 64 ALA HA 1.0 . 3.58 610 456 A 59 GLN HGy A 80 CYS HA 1.0 . 5.41 611 457 A 76 LEU HA A 80 CYS HBx 1.0 . 4.86 612 458 A 76 LEU HDx% A 80 CYS HBx 1.0 . 4.15 613 459 A 80 CYS HBy A 76 LEU HBx 1.0 . 4.77 614 460 A 80 CYS HBy A 76 LEU HDy% 1.0 . 3.65 615 461 A 76 LEU HDx% A 74 HIS HBx 1.0 . 3.63 616 462 A 80 CYS HBx A 81 LEU HA 1.0 . 4.82 617 463 A 81 LEU HBx A 78 SER HBx 1.0 . 5.50 618 463 A 78 SER HBy A 81 LEU HBx 1.0 . 5.50 619 464 A 81 LEU HBy A 82 GLU HA 1.0 . 5.27 620 465 A 79 GLY HAy A 82 GLU HBx 1.0 . 3.76 621 466 A 82 GLU HBx A 83 ALA HA 1.0 . 4.53 622 467 A 79 GLY HAx A 83 ALA HB% 1.0 . 4.94 623 468 A 79 GLY HAy A 83 ALA HB% 1.0 . 4.90 624 469 A 80 CYS HA A 83 ALA HB% 1.0 . 3.05 625 470 A 83 ALA HB% A 84 SER HBx 1.0 . 5.13 626 470 A 84 SER HBy A 83 ALA HB% 1.0 . 5.13 627 471 A 84 SER HA A 83 ALA HB% 1.0 . 4.18 628 472 A 84 SER HA A 85 GLY HAx 1.0 . 4.87 629 473 A 80 CYS HBy A 81 LEU HA 1.0 . 4.86 630 474 A 86 MET HA A 86 MET HGy 1.0 . 4.12 631 475 A 86 MET HBy A 86 MET HGy 1.0 . 2.97 632 475 A 86 MET HBx A 86 MET HGy 1.0 . 2.97 633 476 A 86 MET HBy A 86 MET HGx 1.0 . 2.97 634 476 A 86 MET HGx A 86 MET HBx 1.0 . 2.97 635 477 A 87 GLN HA A 88 CYS HBx 1.0 . 4.48 636 477 A 88 CYS HBy A 87 GLN HA 1.0 . 4.48 637 478 A 87 GLN HA A 89 PRO HDx 1.0 . 4.75 638 478 A 89 PRO HDy A 87 GLN HA 1.0 . 4.75 639 479 A 87 GLN HA A 87 GLN HGx 1.0 . 3.60 640 479 A 87 GLN HA A 87 GLN HGy 1.0 . 3.60 641 480 A 70 LEU HBx A 88 CYS HBx 1.0 . 5.39 642 480 A 70 LEU HBy A 88 CYS HBx 1.0 . 5.39 643 480 A 88 CYS HBy A 70 LEU HBx 1.0 . 5.39 644 480 A 70 LEU HBy A 88 CYS HBy 1.0 . 5.39 645 481 A 87 GLN HGy A 88 CYS HBx 1.0 . 5.50 646 481 A 87 GLN HGx A 88 CYS HBx 1.0 . 5.50 647 481 A 88 CYS HBy A 87 GLN HGx 1.0 . 5.50 648 481 A 88 CYS HBy A 87 GLN HGy 1.0 . 5.50 649 482 A 87 GLN HBx A 88 CYS HBx 1.0 . 5.10 650 482 A 88 CYS HBy A 87 GLN HBx 1.0 . 5.10 651 483 A 89 PRO HA A 88 CYS HBx 1.0 . 5.16 652 483 A 88 CYS HBy A 89 PRO HA 1.0 . 5.16 653 484 A 89 PRO HA A 92 GLN HGx 1.0 . 5.13 654 484 A 92 GLN HGy A 89 PRO HA 1.0 . 5.13 655 485 A 89 PRO HBx A 90 ILE HD1% 1.0 . 4.71 656 486 A 90 ILE HA A 89 PRO HBy 1.0 . 5.15 657 487 A 76 LEU HDy% A 89 PRO HDx 1.0 . 3.20 658 487 A 76 LEU HDy% A 89 PRO HDy 1.0 . 3.20 659 488 A 88 CYS HBy A 89 PRO HDx 1.0 . 4.32 660 488 A 89 PRO HDy A 88 CYS HBx 1.0 . 4.32 661 488 A 88 CYS HBy A 89 PRO HDy 1.0 . 4.32 662 488 A 88 CYS HBx A 89 PRO HDx 1.0 . 4.32 663 489 A 90 ILE HD1% A 59 GLN HBy 1.0 . 4.05 664 490 A 90 ILE HD1% A 89 PRO HGx 1.0 . 4.18 665 490 A 89 PRO HGy A 90 ILE HD1% 1.0 . 4.18 666 491 A 89 PRO HA A 90 ILE HA 1.0 . 4.85 667 492 A 90 ILE HD1% A 90 ILE HA 1.0 . 3.52 668 493 A 90 ILE HA A 90 ILE HG1x 1.0 . 3.74 669 493 A 90 ILE HG1y A 90 ILE HA 1.0 . 3.74 670 494 A 90 ILE HB A 74 HIS HBy 1.0 . 4.54 671 495 A 90 ILE HB A 89 PRO HDx 1.0 . 4.67 672 495 A 89 PRO HDy A 90 ILE HB 1.0 . 4.67 673 496 A 90 ILE HD1% A 58 GLN HGy 1.0 . 4.82 674 497 A 90 ILE HD1% A 58 GLN HGx 1.0 . 4.82 675 498 A 76 LEU HDx% A 90 ILE HD1% 1.0 . 3.43 676 499 A 90 ILE HD1% A 89 PRO HBy 1.0 . 5.05 677 500 A 90 ILE HD1% A 89 PRO HDx 1.0 . 4.94 678 500 A 89 PRO HDy A 90 ILE HD1% 1.0 . 4.94 679 501 A 58 GLN HBy A 90 ILE HG1x 1.0 . 4.06 680 501 A 58 GLN HBx A 90 ILE HG1x 1.0 . 4.06 681 501 A 90 ILE HG1y A 58 GLN HBx 1.0 . 4.06 682 501 A 58 GLN HBy A 90 ILE HG1y 1.0 . 4.06 683 502 A 76 LEU HDx% A 89 PRO HBy 1.0 . 4.72 684 503 A 89 PRO HBy A 90 ILE HG1x 1.0 . 5.09 685 503 A 90 ILE HG1y A 89 PRO HBy 1.0 . 5.09 686 504 A 74 HIS HA A 90 ILE HG2% 1.0 . 4.73 687 505 A 90 ILE HA A 90 ILE HG2% 1.0 . 2.89 688 506 A 90 ILE HG2% A 90 ILE HG1x 1.0 . 3.20 689 506 A 90 ILE HG1y A 90 ILE HG2% 1.0 . 3.20 690 507 A 92 GLN HA A 92 GLN HGx 1.0 . 3.00 691 507 A 92 GLN HGy A 92 GLN HA 1.0 . 3.00 692 508 A 50 GLU HA A 50 GLU HGx 1.0 . 3.41 693 508 A 50 GLU HGy A 50 GLU HA 1.0 . 3.41 694 509 A 91 CYS HA A 90 ILE HG2% 1.0 . 4.61 695 510 A 101 THR HA A 102 PRO HDx 1.0 . 2.95 696 510 A 102 PRO HDy A 101 THR HA 1.0 . 2.95 697 511 A 69 LEU HA A 69 LEU HG 1.0 . 3.30 698 512 A 101 THR HG2% A 101 THR HA 1.0 . 3.35 699 513 A 101 THR HG2% A 99 ALA HA 1.0 . 5.50 700 514 A 101 THR HG2% A 102 PRO HA 1.0 . 5.50 701 515 A 103 ALA HB% A 67 PRO HDx 1.0 . 4.51 702 515 A 67 PRO HDy A 103 ALA HB% 1.0 . 4.51 703 516 A 81 LEU HA A 81 LEU HG 1.0 . 4.00 704 517 A 66 CYS HA A 55 LEU HDx% 1.0 . 5.50 705 517 A 66 CYS HA A 55 LEU HDy% 1.0 . 5.50 706 518 A 61 GLN HGy A 56 ARG HDx 1.0 . 4.66 707 519 A 76 LEU HG A 77 CYS HBx 1.0 . 5.49 708 520 A 90 ILE HA A 89 PRO HGx 1.0 . 4.86 709 520 A 89 PRO HGy A 90 ILE HA 1.0 . 4.86 710 521 A 58 GLN HA A 58 GLN HGx 1.0 . 3.87 711 522 A 58 GLN HA A 58 GLN HGy 1.0 . 3.87 712 523 A 58 GLN HA A 90 ILE HD1% 1.0 . 4.17 713 524 A 86 MET HA A 87 GLN HA 1.0 . 4.93 714 525 A 80 CYS HBy A 76 LEU HBy 1.0 . 5.19 715 526 A 92 GLN H A 90 ILE HB 1.0 . 5.22 716 527 A 64 ALA HB% A 67 PRO HGy 1.0 . 3.96 717 528 A 77 CYS HBy A 78 SER HBx 1.0 . 4.28 718 528 A 77 CYS HBy A 78 SER HBy 1.0 . 4.28 719 529 A 78 SER HBy A 66 CYS HBx 1.0 . 4.69 720 529 A 66 CYS HBx A 78 SER HBx 1.0 . 4.69 721 530 A 81 LEU HBy A 78 SER HBx 1.0 . 4.62 722 530 A 81 LEU HBy A 78 SER HBy 1.0 . 4.62 723 531 A 93 ALA HB% A 94 PRO HDx 1.0 . 3.94 724 531 A 93 ALA HB% A 94 PRO HDy 1.0 . 3.94 725 532 A 68 LYS H A 76 LEU HBx 1.0 . 4.43 726 533 A 68 LYS H A 76 LEU HBy 1.0 . 4.44 727 534 A 76 LEU HDx% A 76 LEU HBy 1.0 . 3.90 728 535 A 103 ALA HB% A 104 LEU HBx 1.0 . 3.82 729 535 A 103 ALA HB% A 104 LEU HBy 1.0 . 3.82 730 536 A 57 CYS HBx A 56 ARG HDx 1.0 . 5.47 731 537 A 97 LEU H A 97 LEU HBx 1.0 . 4.18 732 537 A 97 LEU H A 97 LEU HBy 1.0 . 4.18 733 538 A 57 CYS HBx A 60 CYS HBx 1.0 . 4.18 734 539 A 61 GLN HGx A 60 CYS HBx 1.0 . 5.30 735 540 A 102 PRO HA A 67 PRO HBx 1.0 . 4.22 736 540 A 102 PRO HA A 67 PRO HBy 1.0 . 4.22 737 541 A 74 HIS H A 74 HIS HBx 1.0 . 4.08 738 542 A 74 HIS HBx A 75 THR HB 1.0 . 5.50 739 543 A 74 HIS HBx A 89 PRO HDx 1.0 . 5.50 740 543 A 74 HIS HBx A 89 PRO HDy 1.0 . 5.50 741 544 A 60 CYS H A 57 CYS HBy 1.0 . 4.43 742 545 A 57 CYS HBy A 77 CYS HBx 1.0 . 2.71 743 546 A 57 CYS HBy A 56 ARG HGx 1.0 . 4.72 744 546 A 57 CYS HBy A 56 ARG HGy 1.0 . 4.72 745 547 A 50 GLU HA A 51 GLU HBx 1.0 . 4.50 746 547 A 50 GLU HA A 51 GLU HBy 1.0 . 4.50 747 548 A 80 CYS H A 80 CYS HBx 1.0 . 3.97 748 549 A 76 LEU HG A 80 CYS HBx 1.0 . 4.18 749 550 A 89 PRO HGy A 90 ILE HG1x 1.0 . 4.36 750 550 A 89 PRO HGx A 90 ILE HG1x 1.0 . 4.36 751 550 A 90 ILE HG1y A 89 PRO HGx 1.0 . 4.36 752 550 A 90 ILE HG1y A 89 PRO HGy 1.0 . 4.36 753 551 A 67 PRO HGx A 103 ALA HB% 1.0 . 3.80 754 552 A 67 PRO HGx A 55 LEU HG 1.0 . 3.65 755 553 A 69 LEU HG A 102 PRO HGx 1.0 . 4.64 756 553 A 69 LEU HG A 102 PRO HGy 1.0 . 4.64 757 554 A 76 LEU HDy% A 59 GLN HBx 1.0 . 4.00 758 555 A 59 GLN HGy A 76 LEU HDy% 1.0 . 4.46 759 556 A 76 LEU HDy% A 89 PRO HGx 1.0 . 3.62 760 556 A 76 LEU HDy% A 89 PRO HGy 1.0 . 3.62 761 557 A 61 GLN HGx A 62 ALA HB% 1.0 . 5.50 762 558 A 62 ALA HB% A 63 GLU HBx 1.0 . 3.83 763 558 A 62 ALA HB% A 63 GLU HBy 1.0 . 3.83 764 559 A 103 ALA HB% A 102 PRO HBx 1.0 . 4.17 765 559 A 102 PRO HBy A 103 ALA HB% 1.0 . 4.17 766 560 A 83 ALA H A 83 ALA HB% 1.0 . 3.18 767 561 A 82 GLU HBy A 83 ALA HB% 1.0 . 5.12 768 562 A 92 GLN H A 90 ILE HG2% 1.0 . 4.33 769 563 A 74 HIS HBx A 90 ILE HD1% 1.0 . 3.96 770 564 A 73 LEU HA A 72 CYS HA 1.0 . 5.08 771 565 A 73 LEU HA A 73 LEU HDy% 1.0 . 4.04 772 566 A 81 LEU HA A 86 MET HA 1.0 . 4.33 773 567 A 86 MET HA A 86 MET HGx 1.0 . 4.12 774 568 A 81 LEU HBx A 86 MET HA 1.0 . 4.61 775 569 A 86 MET HA A 81 LEU HG 1.0 . 4.66 776 570 A 84 SER HA A 87 GLN HGx 1.0 . 5.21 777 570 A 84 SER HA A 87 GLN HGy 1.0 . 5.21 778 571 A 89 PRO HA A 87 GLN HGx 1.0 . 5.50 779 571 A 89 PRO HA A 87 GLN HGy 1.0 . 5.50 780 572 A 77 CYS HBy A 65 LYS HEx 1.0 . 5.23 781 572 A 77 CYS HBy A 65 LYS HEy 1.0 . 5.23 782 573 A 81 LEU HBx A 78 SER HA 1.0 . 4.20 783 574 A 65 LYS H A 64 ALA HA 1.0 . 3.50 784 575 A 55 LEU HA A 55 LEU HG 1.0 . 3.52 785 576 A 55 LEU HA A 55 LEU HDx% 1.0 . 3.48 786 576 A 55 LEU HA A 55 LEU HDy% 1.0 . 3.48 787 577 A 69 LEU HBx A 69 LEU HDx% 1.0 . 3.44 788 577 A 69 LEU HBy A 69 LEU HDx% 1.0 . 3.44 789 577 A 69 LEU HDy% A 69 LEU HBx 1.0 . 3.44 790 577 A 69 LEU HBy A 69 LEU HDy% 1.0 . 3.44 791 578 A 62 ALA HB% A 77 CYS HBx 1.0 . 5.29 792 579 A 90 ILE HG2% A 92 GLN HBx 1.0 . 5.50 793 579 A 92 GLN HBy A 90 ILE HG2% 1.0 . 5.50 794 580 A 67 PRO HGy A 102 PRO HA 1.0 . 3.62 795 581 A 50 GLU H A 49 GLU HBx 1.0 . 3.74 796 581 A 50 GLU H A 49 GLU HBy 1.0 . 3.74 797 582 A 50 GLU HA A 49 GLU HBx 1.0 . 4.31 798 582 A 50 GLU HA A 49 GLU HBy 1.0 . 4.31 799 583 A 51 GLU H A 51 GLU HGy 1.0 . 3.69 800 583 A 51 GLU H A 51 GLU HGx 1.0 . 3.69 801 584 A 51 GLU HBx A 52 PHE HBy 1.0 . 5.04 802 584 A 51 GLU HBy A 52 PHE HBy 1.0 . 5.04 803 584 A 52 PHE HBx A 51 GLU HBx 1.0 . 5.04 804 584 A 51 GLU HBy A 52 PHE HBx 1.0 . 5.04 805 585 A 52 PHE H A 52 PHE HBy 1.0 . 3.51 806 585 A 52 PHE H A 52 PHE HBx 1.0 . 3.51 807 586 A 53 GLN H A 52 PHE HBy 1.0 . 4.13 808 586 A 53 GLN H A 52 PHE HBx 1.0 . 4.13 809 587 A 52 PHE HD% A 54 PHE HBy 1.0 . 3.16 810 587 A 52 PHE HD% A 54 PHE HBx 1.0 . 3.16 811 588 A 53 GLN H A 54 PHE HBy 1.0 . 5.03 812 588 A 53 GLN H A 54 PHE HBx 1.0 . 5.03 813 589 A 53 GLN HA A 104 LEU HDx% 1.0 . 4.78 814 589 A 53 GLN HA A 104 LEU HDy% 1.0 . 4.78 815 590 A 54 PHE HA A 53 GLN HBy 1.0 . 5.05 816 590 A 54 PHE HA A 53 GLN HBx 1.0 . 5.05 817 591 A 104 LEU H A 53 GLN HBy 1.0 . 4.89 818 591 A 104 LEU H A 53 GLN HBx 1.0 . 4.89 819 592 A 53 GLN HBy A 104 LEU HDx% 1.0 . 3.45 820 592 A 53 GLN HBx A 104 LEU HDx% 1.0 . 3.45 821 592 A 104 LEU HDy% A 53 GLN HBy 1.0 . 3.45 822 592 A 104 LEU HDy% A 53 GLN HBx 1.0 . 3.45 823 593 A 53 GLN HGy A 53 GLN HE2y 1.0 . 3.40 824 593 A 53 GLN HE2x A 53 GLN HGx 1.0 . 3.40 825 593 A 53 GLN HGy A 53 GLN HE2x 1.0 . 3.40 826 593 A 53 GLN HE2y A 53 GLN HGx 1.0 . 3.40 827 594 A 53 GLN HGy A 54 PHE HBy 1.0 . 5.34 828 594 A 53 GLN HGx A 54 PHE HBy 1.0 . 5.34 829 594 A 54 PHE HBx A 53 GLN HGx 1.0 . 5.34 830 594 A 53 GLN HGy A 54 PHE HBx 1.0 . 5.34 831 595 A 53 GLN HGy A 104 LEU HDx% 1.0 . 5.16 832 595 A 53 GLN HGx A 104 LEU HDx% 1.0 . 5.16 833 595 A 104 LEU HDy% A 53 GLN HGx 1.0 . 5.16 834 595 A 53 GLN HGy A 104 LEU HDy% 1.0 . 5.16 835 596 A 54 PHE H A 54 PHE HBy 1.0 . 3.51 836 596 A 54 PHE H A 54 PHE HBx 1.0 . 3.51 837 597 A 55 LEU H A 54 PHE HBy 1.0 . 3.65 838 597 A 55 LEU H A 54 PHE HBx 1.0 . 3.65 839 598 A 55 LEU HG A 54 PHE HBy 1.0 . 5.34 840 598 A 55 LEU HG A 54 PHE HBx 1.0 . 5.34 841 599 A 54 PHE HBy A 55 LEU HDx% 1.0 . 5.09 842 599 A 54 PHE HBx A 55 LEU HDx% 1.0 . 5.09 843 599 A 55 LEU HDy% A 54 PHE HBy 1.0 . 5.09 844 599 A 55 LEU HDy% A 54 PHE HBx 1.0 . 5.09 845 600 A 63 GLU HA A 54 PHE HBy 1.0 . 4.99 846 600 A 63 GLU HA A 54 PHE HBx 1.0 . 4.99 847 601 A 54 PHE HBy A 63 GLU HBx 1.0 . 4.88 848 601 A 54 PHE HBx A 63 GLU HBx 1.0 . 4.88 849 601 A 63 GLU HBy A 54 PHE HBy 1.0 . 4.88 850 601 A 63 GLU HBy A 54 PHE HBx 1.0 . 4.88 851 602 A 54 PHE HBy A 63 GLU HGy 1.0 . 5.18 852 602 A 63 GLU HGx A 54 PHE HBy 1.0 . 5.18 853 602 A 54 PHE HBx A 63 GLU HGx 1.0 . 5.18 854 602 A 54 PHE HBx A 63 GLU HGy 1.0 . 5.18 855 603 A 64 ALA H A 54 PHE HBy 1.0 . 4.85 856 603 A 64 ALA H A 54 PHE HBx 1.0 . 4.85 857 604 A 56 ARG HDy A 58 GLN HGy 1.0 . 5.23 858 604 A 56 ARG HDy A 58 GLN HGx 1.0 . 5.23 859 605 A 58 GLN H A 58 GLN HGy 1.0 . 2.93 860 605 A 58 GLN H A 58 GLN HGx 1.0 . 2.93 861 606 A 58 GLN HA A 58 GLN HGy 1.0 . 3.16 862 606 A 58 GLN HA A 58 GLN HGx 1.0 . 3.16 863 607 A 59 GLN H A 58 GLN HGy 1.0 . 4.95 864 607 A 59 GLN H A 58 GLN HGx 1.0 . 4.95 865 608 A 75 THR HB A 58 GLN HGy 1.0 . 3.32 866 608 A 75 THR HB A 58 GLN HGx 1.0 . 3.32 867 609 A 75 THR HG2% A 58 GLN HGy 1.0 . 4.21 868 609 A 75 THR HG2% A 58 GLN HGx 1.0 . 4.21 869 610 A 76 LEU HDx% A 58 GLN HGy 1.0 . 5.34 870 610 A 76 LEU HDx% A 58 GLN HGx 1.0 . 5.34 871 611 A 90 ILE HD1% A 58 GLN HGy 1.0 . 4.16 872 611 A 90 ILE HD1% A 58 GLN HGx 1.0 . 4.16 873 612 A 90 ILE HD1% A 58 GLN HE2y 1.0 . 4.87 874 612 A 90 ILE HD1% A 58 GLN HE2x 1.0 . 4.87 875 613 A 62 ALA HA A 63 GLU HGy 1.0 . 4.97 876 613 A 62 ALA HA A 63 GLU HGx 1.0 . 4.97 877 614 A 63 GLU H A 63 GLU HGy 1.0 . 3.37 878 614 A 63 GLU H A 63 GLU HGx 1.0 . 3.37 879 615 A 63 GLU HBx A 65 LYS HGx 1.0 . 4.66 880 615 A 63 GLU HBy A 65 LYS HGx 1.0 . 4.66 881 615 A 65 LYS HGy A 63 GLU HBx 1.0 . 4.66 882 615 A 63 GLU HBy A 65 LYS HGy 1.0 . 4.66 883 616 A 64 ALA H A 63 GLU HGy 1.0 . 4.02 884 616 A 64 ALA H A 63 GLU HGx 1.0 . 4.02 885 617 A 64 ALA HB% A 63 GLU HGy 1.0 . 5.34 886 617 A 64 ALA HB% A 63 GLU HGx 1.0 . 5.34 887 618 A 64 ALA HA A 65 LYS HGx 1.0 . 5.34 888 618 A 64 ALA HA A 65 LYS HGy 1.0 . 5.34 889 619 A 65 LYS H A 65 LYS HGx 1.0 . 3.57 890 619 A 65 LYS H A 65 LYS HGy 1.0 . 3.57 891 620 A 65 LYS HA A 65 LYS HGx 1.0 . 3.53 892 620 A 65 LYS HA A 65 LYS HGy 1.0 . 3.53 893 621 A 65 LYS HEx A 65 LYS HGx 1.0 . 3.21 894 621 A 65 LYS HEy A 65 LYS HGx 1.0 . 3.21 895 621 A 65 LYS HGy A 65 LYS HEx 1.0 . 3.21 896 621 A 65 LYS HEy A 65 LYS HGy 1.0 . 3.21 897 622 A 78 SER H A 66 CYS HBx 1.0 . 4.26 898 622 A 78 SER H A 66 CYS HBy 1.0 . 4.26 899 623 A 66 CYS HBx A 78 SER HBx 1.0 . 4.02 900 623 A 66 CYS HBy A 78 SER HBx 1.0 . 4.02 901 623 A 78 SER HBy A 66 CYS HBx 1.0 . 4.02 902 623 A 78 SER HBy A 66 CYS HBy 1.0 . 4.02 903 624 A 68 LYS HA A 81 LEU HD11 1.0 . 5.09 904 624 A 68 LYS HA A 81 LEU HDy% 1.0 . 5.09 905 625 A 68 LYS HBy A 81 LEU HD11 1.0 . 3.04 906 625 A 68 LYS HBx A 81 LEU HD11 1.0 . 3.04 907 625 A 81 LEU HDy% A 68 LYS HBx 1.0 . 3.04 908 625 A 68 LYS HBy A 81 LEU HDy% 1.0 . 3.04 909 626 A 68 LYS HGy A 81 LEU HD11 1.0 . 3.63 910 626 A 68 LYS HGx A 81 LEU HD11 1.0 . 3.63 911 626 A 81 LEU HDy% A 68 LYS HGx 1.0 . 3.63 912 626 A 68 LYS HGy A 81 LEU HDy% 1.0 . 3.63 913 627 A 68 LYS HDy A 81 LEU HD11 1.0 . 4.20 914 627 A 68 LYS HDx A 81 LEU HD11 1.0 . 4.20 915 627 A 81 LEU HDy% A 68 LYS HDx 1.0 . 4.20 916 627 A 68 LYS HDy A 81 LEU HDy% 1.0 . 4.20 917 628 A 68 LYS HEx A 81 LEU HD11 1.0 . 4.57 918 628 A 68 LYS HEy A 81 LEU HD11 1.0 . 4.57 919 628 A 81 LEU HDy% A 68 LYS HEx 1.0 . 4.57 920 628 A 68 LYS HEy A 81 LEU HDy% 1.0 . 4.57 921 629 A 70 LEU HA A 70 LEU HDy% 1.0 . 4.22 922 629 A 70 LEU HA A 70 LEU HDx% 1.0 . 4.22 923 630 A 70 LEU HDx% A 71 PRO HDx 1.0 . 3.99 924 630 A 70 LEU HDy% A 71 PRO HDx 1.0 . 3.99 925 630 A 71 PRO HDy A 70 LEU HDy% 1.0 . 3.99 926 630 A 71 PRO HDy A 70 LEU HDx% 1.0 . 3.99 927 631 A 74 HIS HA A 70 LEU HDy% 1.0 . 5.13 928 631 A 74 HIS HA A 70 LEU HDx% 1.0 . 5.13 929 632 A 74 HIS HBy A 70 LEU HDy% 1.0 . 3.63 930 632 A 74 HIS HBy A 70 LEU HDx% 1.0 . 3.63 931 633 A 74 HIS HBx A 70 LEU HDy% 1.0 . 3.70 932 633 A 74 HIS HBx A 70 LEU HDx% 1.0 . 3.70 933 634 A 76 LEU HDx% A 70 LEU HDy% 1.0 . 4.94 934 634 A 76 LEU HDx% A 70 LEU HDx% 1.0 . 4.94 935 635 A 76 LEU HDy% A 70 LEU HDy% 1.0 . 4.25 936 635 A 76 LEU HDy% A 70 LEU HDx% 1.0 . 4.25 937 636 A 70 LEU HDy% A 88 CYS HBx 1.0 . 3.81 938 636 A 70 LEU HDx% A 88 CYS HBx 1.0 . 3.81 939 636 A 88 CYS HBy A 70 LEU HDy% 1.0 . 3.81 940 636 A 88 CYS HBy A 70 LEU HDx% 1.0 . 3.81 941 637 A 71 PRO HGx A 72 CYS HBx 1.0 . 4.77 942 637 A 71 PRO HGy A 72 CYS HBx 1.0 . 4.77 943 637 A 72 CYS HBy A 71 PRO HGx 1.0 . 4.77 944 637 A 71 PRO HGy A 72 CYS HBy 1.0 . 4.77 945 638 A 72 CYS H A 72 CYS HBx 1.0 . 3.05 946 638 A 72 CYS H A 72 CYS HBy 1.0 . 3.05 947 639 A 72 CYS HA A 73 LEU HDy% 1.0 . 4.45 948 639 A 72 CYS HA A 73 LEU HDx% 1.0 . 4.45 949 640 A 72 CYS HBy A 73 LEU HDy% 1.0 . 5.09 950 640 A 72 CYS HBx A 73 LEU HDy% 1.0 . 5.09 951 640 A 73 LEU HDx% A 72 CYS HBx 1.0 . 5.09 952 640 A 72 CYS HBy A 73 LEU HDx% 1.0 . 5.09 953 641 A 73 LEU H A 73 LEU HDy% 1.0 . 3.36 954 641 A 73 LEU H A 73 LEU HDx% 1.0 . 3.36 955 642 A 73 LEU HA A 73 LEU HDy% 1.0 . 3.38 956 642 A 73 LEU HA A 73 LEU HDx% 1.0 . 3.38 957 643 A 74 HIS HA A 97 LEU HDy% 1.0 . 5.38 958 643 A 74 HIS HA A 97 LEU HDx% 1.0 . 5.38 959 644 A 76 LEU HA A 81 LEU HD11 1.0 . 5.13 960 644 A 76 LEU HA A 81 LEU HDy% 1.0 . 5.13 961 645 A 76 LEU HBy A 81 LEU HD11 1.0 . 3.97 962 645 A 76 LEU HBy A 81 LEU HDy% 1.0 . 3.97 963 646 A 76 LEU HBx A 81 LEU HD11 1.0 . 4.23 964 646 A 76 LEU HBx A 81 LEU HDy% 1.0 . 4.23 965 647 A 76 LEU HG A 81 LEU HD11 1.0 . 4.54 966 647 A 76 LEU HG A 81 LEU HDy% 1.0 . 4.54 967 648 A 76 LEU HDy% A 81 LEU HD11 1.0 . 3.15 968 648 A 76 LEU HDy% A 81 LEU HDy% 1.0 . 3.15 969 649 A 78 SER HA A 81 LEU HD11 1.0 . 4.96 970 649 A 78 SER HA A 81 LEU HDy% 1.0 . 4.96 971 650 A 80 CYS H A 81 LEU HD11 1.0 . 5.28 972 650 A 80 CYS H A 81 LEU HDy% 1.0 . 5.28 973 651 A 81 LEU HA A 81 LEU HD11 1.0 . 3.21 974 651 A 81 LEU HA A 81 LEU HDy% 1.0 . 3.21 975 652 A 82 GLU H A 81 LEU HD11 1.0 . 4.73 976 652 A 82 GLU H A 81 LEU HDy% 1.0 . 4.73 977 653 A 82 GLU HA A 81 LEU HD11 1.0 . 5.44 978 653 A 82 GLU HA A 81 LEU HDy% 1.0 . 5.44 979 654 A 86 MET H A 81 LEU HD11 1.0 . 4.89 980 654 A 86 MET H A 81 LEU HDy% 1.0 . 4.89 981 655 A 86 MET HA A 81 LEU HD11 1.0 . 3.13 982 655 A 86 MET HA A 81 LEU HDy% 1.0 . 3.13 983 656 A 87 GLN H A 81 LEU HD11 1.0 . 4.19 984 656 A 87 GLN H A 81 LEU HDy% 1.0 . 4.19 985 657 A 81 LEU HDy% A 89 PRO HDx 1.0 . 5.28 986 657 A 81 LEU HD11 A 89 PRO HDx 1.0 . 5.28 987 657 A 89 PRO HDy A 81 LEU HD11 1.0 . 5.28 988 657 A 89 PRO HDy A 81 LEU HDy% 1.0 . 5.28 989 658 A 82 GLU HA A 82 GLU HGy 1.0 . 3.48 990 658 A 82 GLU HA A 82 GLU HGx 1.0 . 3.48 991 659 A 83 ALA H A 82 GLU HGy 1.0 . 4.73 992 659 A 83 ALA H A 82 GLU HGx 1.0 . 4.73 993 660 A 83 ALA HA A 82 GLU HGy 1.0 . 5.03 994 660 A 83 ALA HA A 82 GLU HGx 1.0 . 5.03 995 661 A 85 GLY HAy A 82 GLU HGy 1.0 . 5.26 996 661 A 85 GLY HAy A 82 GLU HGx 1.0 . 5.26 997 662 A 85 GLY H A 86 MET HGy 1.0 . 5.25 998 662 A 85 GLY H A 86 MET HGx 1.0 . 5.25 999 663 A 86 MET H A 86 MET HGy 1.0 . 4.83 1000 663 A 86 MET H A 86 MET HGx 1.0 . 4.83 1001 664 A 87 GLN H A 86 MET HGy 1.0 . 4.97 1002 664 A 87 GLN H A 86 MET HGx 1.0 . 4.97 1003 665 A 91 CYS H A 91 CYS HBy 1.0 . 3.59 1004 665 A 91 CYS H A 91 CYS HBx 1.0 . 3.59 1005 666 A 92 GLN H A 91 CYS HBy 1.0 . 3.64 1006 666 A 92 GLN H A 91 CYS HBx 1.0 . 3.64 1007 667 A 91 CYS HBx A 92 GLN HBx 1.0 . 5.32 1008 667 A 91 CYS HBy A 92 GLN HBx 1.0 . 5.32 1009 667 A 92 GLN HBy A 91 CYS HBy 1.0 . 5.32 1010 667 A 92 GLN HBy A 91 CYS HBx 1.0 . 5.32 1011 668 A 91 CYS HBx A 92 GLN HGx 1.0 . 4.24 1012 668 A 91 CYS HBy A 92 GLN HGx 1.0 . 4.24 1013 668 A 92 GLN HGy A 91 CYS HBy 1.0 . 4.24 1014 668 A 92 GLN HGy A 91 CYS HBx 1.0 . 4.24 1015 669 A 93 ALA H A 91 CYS HBy 1.0 . 5.34 1016 669 A 93 ALA H A 91 CYS HBx 1.0 . 5.34 1017 670 A 92 GLN H A 92 GLN HE2y 1.0 . 4.94 1018 670 A 92 GLN H A 92 GLN HE2x 1.0 . 4.94 1019 671 A 95 TRP H A 95 TRP HBy 1.0 . 3.38 1020 671 A 95 TRP H A 95 TRP HBx 1.0 . 3.38 1021 672 A 95 TRP HBy A 96 PRO HDx 1.0 . 4.15 1022 672 A 96 PRO HDy A 95 TRP HBy 1.0 . 4.15 1023 672 A 96 PRO HDy A 95 TRP HBx 1.0 . 4.15 1024 672 A 95 TRP HBx A 96 PRO HDx 1.0 . 4.15 1025 673 A 97 LEU H A 96 PRO HBy 1.0 . 3.49 1026 673 A 97 LEU H A 96 PRO HBx 1.0 . 3.49 1027 674 A 97 LEU HBy A 97 LEU HDy% 1.0 . 2.75 1028 674 A 97 LEU HBx A 97 LEU HDy% 1.0 . 2.75 1029 674 A 97 LEU HDx% A 97 LEU HBx 1.0 . 2.75 1030 674 A 97 LEU HBy A 97 LEU HDx% 1.0 . 2.75 1031 675 A 97 LEU HBx A 98 GLY HAy 1.0 . 4.65 1032 675 A 97 LEU HBy A 98 GLY HAy 1.0 . 4.65 1033 675 A 98 GLY HAx A 97 LEU HBx 1.0 . 4.65 1034 675 A 97 LEU HBy A 98 GLY HAx 1.0 . 4.65 1035 676 A 98 GLY H A 97 LEU HDy% 1.0 . 4.74 1036 676 A 98 GLY H A 97 LEU HDx% 1.0 . 4.74 1037 677 A 99 ALA H A 98 GLY HAy 1.0 . 3.09 1038 677 A 99 ALA H A 98 GLY HAx 1.0 . 3.09 1039 678 A 99 ALA HB% A 98 GLY HAy 1.0 . 4.95 1040 678 A 99 ALA HB% A 98 GLY HAx 1.0 . 4.95 1041 679 A 100 ASP H A 98 GLY HAy 1.0 . 4.93 1042 679 A 100 ASP H A 98 GLY HAx 1.0 . 4.93 1043 680 A 103 ALA HA A 104 LEU HDx% 1.0 . 3.69 1044 680 A 103 ALA HA A 104 LEU HDy% 1.0 . 3.69 1045 681 A 103 ALA HB% A 104 LEU HDx% 1.0 . 3.63 1046 681 A 103 ALA HB% A 104 LEU HDy% 1.0 . 3.63 1047 682 A 77 CYS H A 81 LEU H 1.0 . 5.00 1048 683 A 73 LEU HA A 95 TRP HE1 1.0 . 6.00 1049 684 A 72 CYS HBx A 97 LEU HDy% 1.0 . 5.00 1050 685 A 64 ALA H A 103 ALA HB% 1.0 . 5.50 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin 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 57 CYS SG B 1 ZN ZN 1.0 . 2.60 2 2 B 1 ZN ZN A 60 CYS SG 1.0 . 2.60 3 3 B 1 ZN ZN A 77 CYS SG 1.0 . 2.60 4 4 B 1 ZN ZN A 80 CYS SG 1.0 . 2.60 5 5 B 1 ZN ZN A 57 CYS CB 1.0 . 3.50 6 6 B 1 ZN ZN A 60 CYS CB 1.0 . 3.50 7 7 B 1 ZN ZN A 77 CYS CB 1.0 . 3.50 8 8 B 1 ZN ZN A 80 CYS CB 1.0 . 3.50 9 9 A 72 CYS SG 3 1 ZN ZN 1.0 . 2.60 10 10 3 1 ZN ZN A 88 CYS SG 1.0 . 2.60 11 11 3 1 ZN ZN A 91 CYS SG 1.0 . 2.60 12 12 3 1 ZN ZN A 74 HIS NE2 1.0 . 2.40 13 13 3 1 ZN ZN A 72 CYS CB 1.0 . 3.50 14 14 3 1 ZN ZN A 88 CYS CB 1.0 . 3.50 15 15 3 1 ZN ZN A 91 CYS CB 1.0 . 3.50 16 16 A 88 CYS SG A 91 CYS SG 1.0 . 3.85 17 17 A 72 CYS SG A 91 CYS SG 1.0 . 3.85 18 18 A 72 CYS SG A 88 CYS SG 1.0 . 3.85 19 19 A 91 CYS SG A 74 HIS NE2 1.0 . 3.85 20 20 A 88 CYS SG A 74 HIS NE2 1.0 . 3.85 21 21 A 72 CYS SG A 74 HIS NE2 1.0 . 3.85 22 22 A 77 CYS SG A 80 CYS SG 1.0 . 3.85 23 23 A 57 CYS SG A 77 CYS SG 1.0 . 3.85 24 24 A 60 CYS SG A 77 CYS SG 1.0 . 3.85 25 25 A 57 CYS SG A 80 CYS SG 1.0 . 3.85 26 26 A 60 CYS SG A 80 CYS SG 1.0 . 3.85 27 27 A 57 CYS SG A 60 CYS SG 1.0 . 3.85 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 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 76 LEU H A 68 LYS O 1.0 . 2.40 2 2 A 68 LYS O A 76 LEU N 1.0 . 3.13 3 3 A 68 LYS H A 76 LEU O 1.0 . 2.40 4 4 A 76 LEU O A 68 LYS N 1.0 . 3.13 5 5 A 82 GLU H A 78 SER O 1.0 . 2.22 6 6 A 78 SER O A 82 GLU N 1.0 . 3.13 7 7 A 83 ALA H A 79 GLY O 1.0 . 2.40 8 8 A 79 GLY O A 83 ALA N 1.0 . 3.13 9 9 A 84 SER H A 80 CYS O 1.0 . 2.40 10 10 A 80 CYS O A 84 SER N 1.0 . 3.13 11 11 A 92 GLN H A 89 PRO O 1.0 . 2.40 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 52 PHE C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -222.9 73.8 PHI 2 2 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 PHE N 1.0 66.7 217.3 PSI 3 3 A 53 GLN C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -238.3 9.1 PHI 4 4 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 LEU N 1.0 82.2 170.7 PSI 5 5 A 54 PHE C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -239.0 64.7 PHI 6 6 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ARG N 1.0 71.7 217.7 PSI 7 7 A 55 LEU C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -153.0 -72.2 PHI 8 8 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 CYS N 1.0 89.4 194.3 PSI 9 9 A 56 ARG C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -154.0 -23.6 PHI 10 10 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 GLN N 1.0 105.8 143.5 PSI 11 11 A 57 CYS C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -74.2 -47.2 PHI 12 12 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 GLN N 1.0 -51.3 0.9 PSI 13 13 A 58 GLN C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -127.4 -69.8 PHI 14 14 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 CYS N 1.0 -45.3 -16.4 PSI 15 15 A 62 ALA C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -105.7 -44.1 PHI 16 16 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 ALA N 1.0 108.4 152.1 PSI 17 17 A 63 GLU C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -157.4 -40.2 PHI 18 18 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 LYS N 1.0 69.9 164.5 PSI 19 19 A 65 LYS C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -158.9 -70.8 PHI 20 20 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 PRO N 1.0 72.0 191.1 PSI 21 21 A 67 PRO C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -138.9 -60.7 PHI 22 22 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 LEU N 1.0 96.0 155.8 PSI 23 23 A 68 LYS C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -128.0 -71.7 PHI 24 24 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 LEU N 1.0 89.4 157.0 PSI 25 25 A 69 LEU C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -136.5 -32.5 PHI 26 26 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 PRO N 1.0 83.0 176.5 PSI 27 27 A 73 LEU C A 74 HIS N A 74 HIS CA A 74 HIS C 1.0 -141.8 -47.8 PHI 28 28 A 74 HIS N A 74 HIS CA A 74 HIS C A 75 THR N 1.0 104.5 163.5 PSI 29 29 A 74 HIS C A 75 THR N A 75 THR CA A 75 THR C 1.0 -133.4 -71.9 PHI 30 30 A 75 THR N A 75 THR CA A 75 THR C A 76 LEU N 1.0 105.1 147.1 PSI 31 31 A 75 THR C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -142.3 -90.5 PHI 32 32 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 CYS N 1.0 112.8 171.2 PSI 33 33 A 76 LEU C A 77 CYS N A 77 CYS CA A 77 CYS C 1.0 -117.9 -67.2 PHI 34 34 A 77 CYS N A 77 CYS CA A 77 CYS C A 78 SER N 1.0 157.1 183.2 PSI 35 35 A 77 CYS C A 78 SER N A 78 SER CA A 78 SER C 1.0 -68.9 -48.9 PHI 36 36 A 78 SER N A 78 SER CA A 78 SER C A 79 GLY N 1.0 -56.5 -13.3 PSI 37 37 A 78 SER C A 79 GLY N A 79 GLY CA A 79 GLY C 1.0 -77.2 -57.2 PHI 38 38 A 79 GLY N A 79 GLY CA A 79 GLY C A 80 CYS N 1.0 -48.3 -28.3 PSI 39 39 A 79 GLY C A 80 CYS N A 80 CYS CA A 80 CYS C 1.0 -74.0 -54.0 PHI 40 40 A 80 CYS N A 80 CYS CA A 80 CYS C A 81 LEU N 1.0 -54.0 -34.0 PSI 41 41 A 80 CYS C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -73.0 -49.2 PHI 42 42 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLU N 1.0 -52.7 -32.6 PSI 43 43 A 81 LEU C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -74.8 -54.8 PHI 44 44 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 ALA N 1.0 -51.6 -22.1 PSI 45 45 A 82 GLU C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -86.0 -53.3 PHI 46 46 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 SER N 1.0 -54.8 11.6 PSI 47 47 A 83 ALA C A 84 SER N A 84 SER CA A 84 SER C 1.0 -126.1 -70.6 PHI 48 48 A 84 SER N A 84 SER CA A 84 SER C A 85 GLY N 1.0 -22.6 29.4 PSI 49 49 A 87 GLN C A 88 CYS N A 88 CYS CA A 88 CYS C 1.0 -165.1 -60.2 PHI 50 50 A 88 CYS N A 88 CYS CA A 88 CYS C A 89 PRO N 1.0 74.4 176.9 PSI 51 51 A 89 PRO C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -68.1 -46.9 PHI 52 52 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 CYS N 1.0 -47.1 -15.9 PSI 53 53 A 90 ILE C A 91 CYS N A 91 CYS CA A 91 CYS C 1.0 -100.6 -39.9 PHI 54 54 A 91 CYS N A 91 CYS CA A 91 CYS C A 92 GLN N 1.0 -74.1 7.0 PSI 55 55 A 91 CYS C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -97.3 -58.5 PHI 56 56 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 ALA N 1.0 -39.0 11.4 PSI 57 57 A 92 GLN C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -139.0 -22.1 PHI 58 58 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 PRO N 1.0 76.5 189.7 PSI 59 59 A 94 PRO C A 95 TRP N A 95 TRP CA A 95 TRP C 1.0 -129.6 -55.1 PHI 60 60 A 95 TRP N A 95 TRP CA A 95 TRP C A 96 PRO N 1.0 98.5 189.9 PSI 61 61 A 99 ALA C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -210.4 37.5 PHI 62 62 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 THR N 1.0 92.8 181.5 PSI 63 63 A 100 ASP C A 101 THR N A 101 THR CA A 101 THR C 1.0 -142.1 -56.8 PHI 64 64 A 101 THR N A 101 THR CA A 101 THR C A 102 PRO N 1.0 62.4 185.7 PSI 65 65 A 102 PRO C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -147.9 -62.9 PHI 66 66 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 LEU N 1.0 77.5 151.3 PSI stop_ save_ save_DYANA/DIANA_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode DYANA/DIANA_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 49 GLU N A 49 GLU H1 1.0 . . . 2 2 A 50 GLU N A 50 GLU H 1.0 . . . 3 3 A 51 GLU N A 51 GLU H 1.0 . . . 4 4 A 53 GLN N A 53 GLN H 1.0 . . . 5 5 A 54 PHE N A 54 PHE H 1.0 . . . 6 6 A 57 CYS N A 57 CYS H 1.0 . . . 7 7 A 58 GLN N A 58 GLN H 1.0 . . . 8 8 A 59 GLN N A 59 GLN H 1.0 . . . 9 9 A 62 ALA N A 62 ALA H 1.0 . . . 10 10 A 63 GLU N A 63 GLU H 1.0 . . . 11 11 A 64 ALA N A 64 ALA H 1.0 . . . 12 12 A 68 LYS N A 68 LYS H 1.0 . . . 13 13 A 72 CYS N A 72 CYS H 1.0 . . . 14 14 A 73 LEU N A 73 LEU H 1.0 . . . 15 15 A 75 THR N A 75 THR H 1.0 . . . 16 16 A 77 CYS N A 77 CYS H 1.0 . . . 17 17 A 78 SER N A 78 SER H 1.0 . . . 18 18 A 79 GLY N A 79 GLY H 1.0 . . . 19 19 A 80 CYS N A 80 CYS H 1.0 . . . 20 20 A 82 GLU N A 82 GLU H 1.0 . . . 21 21 A 84 SER N A 84 SER H 1.0 . . . 22 22 A 85 GLY N A 85 GLY H 1.0 . . . 23 23 A 86 MET N A 86 MET H 1.0 . . . 24 24 A 87 GLN N A 87 GLN H 1.0 . . . 25 25 A 88 CYS N A 88 CYS H 1.0 . . . 26 26 A 95 TRP N A 95 TRP H 1.0 . . . 27 27 A 98 GLY N A 98 GLY H 1.0 . . . 28 28 A 99 ALA N A 99 ALA H 1.0 . . . 29 29 A 100 ASP N A 100 ASP H 1.0 . . . 30 30 A 101 THR N A 101 THR H 1.0 . . . 31 31 A 103 ALA N A 103 ALA H 1.0 . . . stop_ save_