data_nef_c16025_2kak save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 HIS ND1 2 1 ZN ZN 1 6 CYS SG 2 2 ZN ZN 1 6 CYS SG 2 3 ZN ZN 1 8 CYS SG 2 2 ZN ZN 1 11 HIS NE2 2 1 ZN ZN 1 12 CYS SG 2 4 ZN ZN 1 14 CYS SG 2 3 ZN ZN 1 17 CYS SG 2 1 ZN ZN 1 19 CYS SG 2 1 ZN ZN 1 35 CYS SG 2 4 ZN ZN 1 37 CYS SG 2 2 ZN ZN 1 37 CYS SG 2 4 ZN ZN 1 41 CYS SG 2 2 ZN ZN 1 43 CYS SG 2 3 ZN ZN 1 46 CYS SG 2 4 ZN ZN 1 46 CYS SG 2 3 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 31 GLY start . false 2 A 32 GLU middle . . 3 A 33 HIS middle -HD1 . 4 A 34 THR middle . . 5 A 35 THR middle . . 6 A 36 CYS middle -HG . 7 A 37 GLY middle . false 8 A 38 CYS middle -HG . 9 A 39 GLY middle . false 10 A 40 GLU middle . . 11 A 41 HIS middle -HE2 . 12 A 42 CYS middle -HG . 13 A 43 GLY middle . false 14 A 44 CYS middle -HG . 15 A 45 ASN middle . . 16 A 46 PRO middle . false 17 A 47 CYS middle -HG . 18 A 48 ALA middle . . 19 A 49 CYS middle -HG . 20 A 50 GLY middle . false 21 A 51 ARG middle . . 22 A 52 GLU middle . . 23 A 53 GLY middle . false 24 A 54 THR middle . . 25 A 55 PRO middle . false 26 A 56 SER middle . . 27 A 57 GLY middle . false 28 A 58 ARG middle . . 29 A 59 ALA middle . . 30 A 60 ASN middle . . 31 A 61 ARG middle . . 32 A 62 ARG middle . . 33 A 63 ALA middle . . 34 A 64 ASN middle . . 35 A 65 CYS middle -HG . 36 A 66 SER middle . . 37 A 67 CYS middle -HG . 38 A 68 GLY middle . false 39 A 69 ALA middle . . 40 A 70 ALA middle . . 41 A 71 CYS middle -HG . 42 A 72 ASN middle . . 43 A 73 CYS middle -HG . 44 A 74 ALA middle . . 45 A 75 SER middle . . 46 A 76 CYS middle -HG . 47 A 77 GLY middle . false 48 A 78 SER middle . . 49 A 79 ALA middle . . 50 A 80 THR middle . . 51 A 81 ALA middle . . 52 A 82 PRO middle . false 53 A 83 GLY end . false 54 B 1 ZN . . . 55 B 2 ZN . . . 56 B 3 ZN . . . 57 B 4 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 31 GLY H1 H 1 8.379 0.020 A 31 GLY HA2 H 1 3.912 0.020 A 31 GLY HA3 H 1 3.912 0.020 A 31 GLY N N 15 108.562 0.400 A 32 GLU H H 1 8.239 0.020 A 32 GLU HA H 1 4.219 0.020 A 32 GLU HB2 H 1 1.323 0.020 A 32 GLU HB3 H 1 1.323 0.020 A 32 GLU HGx H 1 1.757 0.020 A 32 GLU HGy H 1 2.065 0.020 A 32 GLU N N 15 120.194 0.400 A 33 HIS H H 1 8.495 0.020 A 33 HIS HA H 1 4.786 0.020 A 33 HIS HB2 H 1 2.854 0.020 A 33 HIS HB3 H 1 2.854 0.020 A 33 HIS HD2 H 1 7.116 0.020 A 33 HIS HE1 H 1 7.938 0.020 A 33 HIS N N 15 118.099 0.400 A 34 THR H H 1 9.623 0.020 A 34 THR HA H 1 4.376 0.020 A 34 THR HB H 1 3.768 0.020 A 34 THR HG2% H 1 0.961 0.020 A 34 THR N N 15 123.055 0.400 A 35 THR H H 1 8.303 0.020 A 35 THR HA H 1 4.567 0.020 A 35 THR HB H 1 3.933 0.020 A 35 THR HG2% H 1 0.388 0.020 A 35 THR N N 15 112.573 0.400 A 36 CYS H H 1 8.310 0.020 A 36 CYS HA H 1 4.044 0.020 A 36 CYS HBy H 1 3.088 0.020 A 36 CYS HBx H 1 2.884 0.020 A 36 CYS N N 15 119.577 0.400 A 37 GLY H H 1 9.375 0.020 A 37 GLY HAx H 1 3.892 0.020 A 37 GLY HAy H 1 3.974 0.020 A 37 GLY N N 15 123.215 0.400 A 38 CYS H H 1 7.181 0.020 A 38 CYS HA H 1 4.507 0.020 A 38 CYS HBx H 1 2.932 0.020 A 38 CYS HBy H 1 3.213 0.020 A 38 CYS N N 15 117.576 0.400 A 39 GLY H H 1 8.218 0.020 A 39 GLY HA2 H 1 4.453 0.020 A 39 GLY HA3 H 1 4.453 0.020 A 39 GLY N N 15 111.592 0.400 A 40 GLU H H 1 8.189 0.020 A 40 GLU HA H 1 4.453 0.020 A 40 GLU HBy H 1 2.009 0.020 A 40 GLU HBx H 1 1.900 0.020 A 40 GLU HGx H 1 2.207 0.020 A 40 GLU HGy H 1 2.372 0.020 A 40 GLU N N 15 122.585 0.400 A 41 HIS H H 1 9.047 0.020 A 41 HIS HA H 1 4.348 0.020 A 41 HIS HBy H 1 2.971 0.020 A 41 HIS HBx H 1 2.755 0.020 A 41 HIS HD2 H 1 7.155 0.020 A 41 HIS HE1 H 1 7.263 0.020 A 41 HIS N N 15 123.245 0.400 A 42 CYS H H 1 8.400 0.020 A 42 CYS HA H 1 4.392 0.020 A 42 CYS HBx H 1 2.801 0.020 A 42 CYS HBy H 1 2.978 0.020 A 42 CYS N N 15 125.049 0.400 A 43 GLY H H 1 8.437 0.020 A 43 GLY HAx H 1 3.724 0.020 A 43 GLY HAy H 1 3.827 0.020 A 43 GLY N N 15 113.590 0.400 A 44 CYS H H 1 7.420 0.020 A 44 CYS HA H 1 4.299 0.020 A 44 CYS HB2 H 1 2.957 0.020 A 44 CYS HB3 H 1 2.957 0.020 A 44 CYS N N 15 118.586 0.400 A 45 ASN H H 1 7.169 0.020 A 45 ASN HA H 1 4.826 0.020 A 45 ASN HB2 H 1 2.431 0.020 A 45 ASN HB3 H 1 2.431 0.020 A 45 ASN HD2y H 1 7.415 0.020 A 45 ASN HD2x H 1 6.765 0.020 A 45 ASN N N 15 120.140 0.400 A 46 PRO HA H 1 4.103 0.020 A 46 PRO HBx H 1 1.943 0.020 A 46 PRO HBy H 1 2.185 0.020 A 46 PRO HDx H 1 3.364 0.020 A 46 PRO HDy H 1 3.487 0.020 A 46 PRO HGx H 1 1.753 0.020 A 46 PRO HGy H 1 1.847 0.020 A 47 CYS H H 1 8.576 0.020 A 47 CYS HA H 1 4.428 0.020 A 47 CYS HBx H 1 3.115 0.020 A 47 CYS HBy H 1 3.703 0.020 A 47 CYS N N 15 124.271 0.400 A 48 ALA H H 1 8.960 0.020 A 48 ALA HA H 1 4.157 0.020 A 48 ALA HB% H 1 1.390 0.020 A 48 ALA N N 15 133.579 0.400 A 49 CYS H H 1 9.093 0.020 A 49 CYS HA H 1 4.413 0.020 A 49 CYS HBx H 1 2.933 0.020 A 49 CYS HBy H 1 3.330 0.020 A 49 CYS N N 15 119.595 0.400 A 50 GLY H H 1 7.744 0.020 A 50 GLY HAy H 1 4.099 0.020 A 50 GLY HAx H 1 3.748 0.020 A 50 GLY N N 15 110.042 0.400 A 51 ARG H H 1 8.368 0.020 A 51 ARG HA H 1 4.072 0.020 A 51 ARG HBy H 1 1.463 0.020 A 51 ARG HBx H 1 1.284 0.020 A 51 ARG HD2 H 1 2.557 0.020 A 51 ARG HD3 H 1 2.557 0.020 A 51 ARG HG2 H 1 1.142 0.020 A 51 ARG HG3 H 1 1.142 0.020 A 51 ARG N N 15 123.936 0.400 A 52 GLU H H 1 8.479 0.020 A 52 GLU HA H 1 4.270 0.020 A 52 GLU HBx H 1 1.804 0.020 A 52 GLU HBy H 1 1.983 0.020 A 52 GLU HGx H 1 2.130 0.020 A 52 GLU HGy H 1 2.184 0.020 A 52 GLU N N 15 125.329 0.400 A 53 GLY H H 1 8.279 0.020 A 53 GLY HAy H 1 4.082 0.020 A 53 GLY HAx H 1 3.834 0.020 A 53 GLY N N 15 109.702 0.400 A 54 THR H H 1 8.436 0.020 A 54 THR HA H 1 4.500 0.020 A 54 THR HB H 1 3.884 0.020 A 54 THR HG2% H 1 1.115 0.020 A 54 THR N N 15 118.091 0.400 A 55 PRO HA H 1 3.884 0.020 A 55 PRO HBx H 1 2.031 0.020 A 55 PRO HBy H 1 2.297 0.020 A 55 PRO HD2 H 1 3.567 0.020 A 55 PRO HD3 H 1 3.567 0.020 A 55 PRO HG2 H 1 1.791 0.020 A 55 PRO HG3 H 1 1.791 0.020 A 56 SER H H 1 8.916 0.020 A 56 SER HA H 1 4.182 0.020 A 56 SER HB2 H 1 3.777 0.020 A 56 SER HB3 H 1 3.777 0.020 A 56 SER N N 15 119.151 0.400 A 57 GLY H H 1 8.936 0.020 A 57 GLY HAx H 1 3.705 0.020 A 57 GLY HAy H 1 3.875 0.020 A 57 GLY N N 15 111.837 0.400 A 58 ARG H H 1 7.970 0.020 A 58 ARG HA H 1 4.024 0.020 A 58 ARG HBx H 1 1.551 0.020 A 58 ARG HBy H 1 1.692 0.020 A 58 ARG HD2 H 1 3.008 0.020 A 58 ARG HD3 H 1 3.008 0.020 A 58 ARG HG2 H 1 1.439 0.020 A 58 ARG HG3 H 1 1.439 0.020 A 58 ARG N N 15 120.058 0.400 A 59 ALA H H 1 8.507 0.020 A 59 ALA HA H 1 4.073 0.020 A 59 ALA HB% H 1 1.289 0.020 A 59 ALA N N 15 125.094 0.400 A 60 ASN H H 1 8.497 0.020 A 60 ASN HA H 1 4.372 0.020 A 60 ASN HBx H 1 2.792 0.020 A 60 ASN HBy H 1 2.927 0.020 A 60 ASN HD2y H 1 7.494 0.020 A 60 ASN HD2x H 1 6.806 0.020 A 60 ASN N N 15 113.096 0.400 A 61 ARG H H 1 7.205 0.020 A 61 ARG HA H 1 4.885 0.020 A 61 ARG HBx H 1 1.623 0.020 A 61 ARG HBy H 1 1.859 0.020 A 61 ARG HD2 H 1 3.160 0.020 A 61 ARG HD3 H 1 3.160 0.020 A 61 ARG HG2 H 1 1.283 0.020 A 61 ARG HG3 H 1 1.283 0.020 A 61 ARG N N 15 116.323 0.400 A 62 ARG H H 1 8.215 0.020 A 62 ARG HA H 1 3.983 0.020 A 62 ARG HBx H 1 1.694 0.020 A 62 ARG HBy H 1 1.756 0.020 A 62 ARG HD2 H 1 3.131 0.020 A 62 ARG HD3 H 1 3.131 0.020 A 62 ARG HG2 H 1 3.510 0.020 A 62 ARG HG3 H 1 3.510 0.020 A 62 ARG N N 15 121.556 0.400 A 63 ALA H H 1 8.569 0.020 A 63 ALA HA H 1 3.979 0.020 A 63 ALA HB% H 1 1.306 0.020 A 63 ALA N N 15 125.837 0.400 A 64 ASN H H 1 7.992 0.020 A 64 ASN HA H 1 4.455 0.020 A 64 ASN HBx H 1 2.715 0.020 A 64 ASN HBy H 1 2.990 0.020 A 64 ASN HD2y H 1 7.525 0.020 A 64 ASN HD2x H 1 6.739 0.020 A 64 ASN N N 15 112.193 0.400 A 65 CYS H H 1 7.716 0.020 A 65 CYS HA H 1 4.579 0.020 A 65 CYS HBx H 1 2.898 0.020 A 65 CYS HBy H 1 3.009 0.020 A 65 CYS N N 15 122.640 0.400 A 66 SER H H 1 9.392 0.020 A 66 SER HA H 1 4.764 0.020 A 66 SER HBx H 1 3.500 0.020 A 66 SER HBy H 1 4.123 0.020 A 66 SER N N 15 129.091 0.400 A 67 CYS H H 1 9.652 0.020 A 67 CYS HA H 1 3.926 0.020 A 67 CYS HBx H 1 2.778 0.020 A 67 CYS HBy H 1 2.909 0.020 A 67 CYS N N 15 125.082 0.400 A 68 GLY H H 1 9.023 0.020 A 68 GLY HAx H 1 3.754 0.020 A 68 GLY HAy H 1 4.221 0.020 A 68 GLY N N 15 109.840 0.400 A 69 ALA H H 1 8.537 0.020 A 69 ALA HA H 1 3.726 0.020 A 69 ALA HB% H 1 1.295 0.020 A 69 ALA N N 15 121.278 0.400 A 70 ALA H H 1 8.170 0.020 A 70 ALA HA H 1 4.189 0.020 A 70 ALA HB% H 1 1.229 0.020 A 70 ALA N N 15 117.964 0.400 A 71 CYS H H 1 6.933 0.020 A 71 CYS HA H 1 3.880 0.020 A 71 CYS HB2 H 1 2.741 0.020 A 71 CYS HB3 H 1 2.741 0.020 A 71 CYS N N 15 121.577 0.400 A 72 ASN H H 1 8.623 0.020 A 72 ASN HA H 1 4.885 0.020 A 72 ASN HB2 H 1 2.690 0.020 A 72 ASN HB3 H 1 2.690 0.020 A 72 ASN HD2y H 1 7.394 0.020 A 72 ASN HD2x H 1 6.686 0.020 A 72 ASN N N 15 128.800 0.400 A 73 CYS H H 1 8.668 0.020 A 73 CYS HA H 1 4.035 0.020 A 73 CYS HBx H 1 2.730 0.020 A 73 CYS HBy H 1 2.855 0.020 A 73 CYS N N 15 126.110 0.400 A 74 ALA H H 1 9.196 0.020 A 74 ALA HA H 1 4.099 0.020 A 74 ALA HB% H 1 1.409 0.020 A 74 ALA N N 15 133.819 0.400 A 75 SER H H 1 8.371 0.020 A 75 SER HA H 1 4.314 0.020 A 75 SER HB2 H 1 3.818 0.020 A 75 SER HB3 H 1 3.818 0.020 A 75 SER N N 15 116.040 0.400 A 76 CYS H H 1 8.221 0.020 A 76 CYS HA H 1 4.135 0.020 A 76 CYS HBx H 1 2.663 0.020 A 76 CYS HBy H 1 3.768 0.020 A 76 CYS N N 15 122.567 0.400 A 77 GLY H H 1 7.514 0.020 A 77 GLY HAx H 1 3.727 0.020 A 77 GLY HAy H 1 4.206 0.020 A 77 GLY N N 15 105.830 0.400 A 78 SER H H 1 7.451 0.020 A 78 SER HA H 1 4.322 0.020 A 78 SER HBx H 1 3.621 0.020 A 78 SER HBy H 1 3.705 0.020 A 78 SER N N 15 114.464 0.400 A 79 ALA H H 1 8.245 0.020 A 79 ALA HA H 1 4.197 0.020 A 79 ALA HB% H 1 1.244 0.020 A 79 ALA N N 15 126.080 0.400 A 80 THR H H 1 7.999 0.020 A 80 THR HA H 1 4.208 0.020 A 80 THR HB H 1 4.050 0.020 A 80 THR HG2% H 1 1.090 0.020 A 80 THR N N 15 113.328 0.400 A 81 ALA H H 1 8.246 0.020 A 81 ALA HA H 1 4.507 0.020 A 81 ALA HB% H 1 1.275 0.020 A 81 ALA N N 15 128.270 0.400 A 82 PRO HA H 1 4.327 0.020 A 82 PRO HB2 H 1 1.941 0.020 A 82 PRO HB3 H 1 1.941 0.020 A 82 PRO HD2 H 1 2.181 0.020 A 82 PRO HD3 H 1 2.181 0.020 A 82 PRO HGx H 1 3.576 0.020 A 82 PRO HGy H 1 3.695 0.020 A 83 GLY H H 1 7.878 0.020 A 83 GLY HA2 H 1 3.647 0.020 A 83 GLY HA3 H 1 3.647 0.020 A 83 GLY N N 15 115.314 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 33 HIS HE1 A 49 CYS HBy 1.0 . 3.36 2 2 A 54 THR HA A 55 PRO HG2 1.0 . 4.10 3 2 A 54 THR HA A 55 PRO HG3 1.0 . 4.10 4 3 A 34 THR HG2% A 47 CYS HA 1.0 . 4.44 5 4 A 47 CYS HA A 34 THR HG1 1.0 . 4.68 6 5 A 48 ALA HB% A 49 CYS HA 1.0 . 4.15 7 6 A 35 THR HA A 45 ASN HB2 1.0 . 4.57 8 6 A 35 THR HA A 45 ASN HB3 1.0 . 4.57 9 7 A 55 PRO HBx A 64 ASN HA 1.0 . 3.88 10 8 A 35 THR HB A 40 GLU HBy 1.0 . 5.50 11 9 A 67 CYS HA A 40 GLU HBy 1.0 . 5.50 12 10 A 77 GLY H A 75 SER HB2 1.0 . 5.08 13 10 A 75 SER HB3 A 77 GLY H 1.0 . 5.08 14 11 A 76 CYS H A 75 SER HB2 1.0 . 3.11 15 11 A 75 SER HB3 A 76 CYS H 1.0 . 3.11 16 12 A 37 GLY H A 39 GLY H 1.0 . 5.19 17 13 A 76 CYS H A 73 CYS H 1.0 . 5.37 18 14 A 39 GLY H A 36 CYS HA 1.0 . 5.11 19 15 A 76 CYS H A 73 CYS HA 1.0 . 5.48 20 16 A 76 CYS H A 78 SER H 1.0 . 4.20 21 17 A 78 SER H A 76 CYS HA 1.0 . 4.94 22 18 A 78 SER H A 79 ALA H 1.0 . 4.77 23 19 A 39 GLY H A 38 CYS H 1.0 . 3.03 24 20 A 38 CYS H A 40 GLU H 1.0 . 4.14 25 21 A 38 CYS H A 36 CYS H 1.0 . 5.22 26 22 A 38 CYS H A 36 CYS HBy 1.0 . 4.38 27 23 A 36 CYS HA A 38 CYS H 1.0 . 4.39 28 24 A 57 GLY H A 58 ARG H 1.0 . 3.66 29 25 A 35 THR HB A 40 GLU HBx 1.0 . 5.50 30 26 A 67 CYS HA A 40 GLU HBx 1.0 . 5.50 31 27 A 44 CYS HA A 44 CYS HB2 1.0 . 2.48 32 27 A 44 CYS HA A 44 CYS HB3 1.0 . 2.48 33 28 A 38 CYS H A 72 ASN H 1.0 . 5.44 34 29 A 49 CYS HA A 49 CYS HBx 1.0 . 3.02 35 30 A 37 GLY H A 45 ASN HD2x 1.0 . 5.38 36 31 A 37 GLY H A 45 ASN HB2 1.0 . 5.25 37 31 A 45 ASN HB3 A 37 GLY H 1.0 . 5.25 38 32 A 63 ALA H A 65 CYS H 1.0 . 5.14 39 33 A 41 HIS H A 41 HIS HBx 1.0 . 3.65 40 34 A 41 HIS H A 35 THR HG2% 1.0 . 3.99 41 35 A 77 GLY H A 76 CYS H 1.0 . 3.03 42 36 A 76 CYS H A 76 CYS HBx 1.0 . 3.39 43 37 A 52 GLU HA A 52 GLU HGx 1.0 . 4.20 44 38 A 51 ARG HD3 A 51 ARG HBx 1.0 . 3.69 45 38 A 51 ARG HBx A 51 ARG HD2 1.0 . 3.69 46 39 A 79 ALA HB% A 80 THR H 1.0 . 4.04 47 40 A 64 ASN H A 62 ARG HD2 1.0 . 5.38 48 40 A 62 ARG HD3 A 64 ASN H 1.0 . 5.38 49 41 A 80 THR H A 80 THR HG2% 1.0 . 4.53 50 42 A 80 THR H A 80 THR HG1 1.0 . 5.18 51 43 A 50 GLY H A 51 ARG HBx 1.0 . 5.34 52 44 A 49 CYS HBx A 50 GLY H 1.0 . 4.60 53 45 A 50 GLY H A 48 ALA HA 1.0 . 4.47 54 46 A 50 GLY H A 47 CYS HBy 1.0 . 4.49 55 47 A 50 GLY H A 51 ARG HBy 1.0 . 5.34 56 48 A 50 GLY H A 49 CYS H 1.0 . 3.07 57 49 A 50 GLY H A 47 CYS H 1.0 . 4.73 58 50 A 48 ALA HB% A 50 GLY H 1.0 . 4.52 59 51 A 44 CYS H A 45 ASN H 1.0 . 2.94 60 52 A 45 ASN H A 46 PRO HDx 1.0 . 4.48 61 53 A 34 THR HG2% A 45 ASN H 1.0 . 5.50 62 54 A 45 ASN H A 43 GLY H 1.0 . 4.64 63 55 A 33 HIS HA A 41 HIS HE1 1.0 . 4.75 64 56 A 41 HIS HE1 A 33 HIS HB2 1.0 . 2.79 65 56 A 41 HIS HE1 A 33 HIS HB3 1.0 . 2.79 66 57 A 35 THR HG2% A 41 HIS HE1 1.0 . 3.12 67 58 A 33 HIS HA A 34 THR H 1.0 . 3.12 68 59 A 47 CYS HA A 34 THR H 1.0 . 4.37 69 60 A 35 THR HG2% A 34 THR H 1.0 . 4.31 70 61 A 34 THR HG1 A 34 THR H 1.0 . 3.70 71 62 A 34 THR H A 35 THR H 1.0 . 4.46 72 63 A 73 CYS H A 38 CYS HA 1.0 . 5.27 73 64 A 73 CYS H A 38 CYS HBx 1.0 . 5.18 74 65 A 77 GLY H A 73 CYS H 1.0 . 5.39 75 66 A 73 CYS H A 76 CYS HBx 1.0 . 4.37 76 67 A 35 THR HG2% A 41 HIS HD2 1.0 . 4.31 77 68 A 80 THR HG2% A 79 ALA HA 1.0 . 4.59 78 69 A 51 ARG HA A 51 ARG HG2 1.0 . 3.94 79 69 A 51 ARG HA A 51 ARG HG3 1.0 . 3.94 80 70 A 73 CYS HBx A 74 ALA H 1.0 . 5.30 81 71 A 74 ALA H A 74 ALA HB% 1.0 . 3.56 82 72 A 51 ARG H A 51 ARG HG2 1.0 . 4.10 83 72 A 51 ARG HG3 A 51 ARG H 1.0 . 4.10 84 73 A 47 CYS HBy A 51 ARG H 1.0 . 5.50 85 74 A 49 CYS HA A 51 ARG H 1.0 . 5.14 86 75 A 58 ARG H A 56 SER HA 1.0 . 4.83 87 76 A 53 GLY H A 52 GLU HBy 1.0 . 4.60 88 77 A 52 GLU HA A 53 GLY H 1.0 . 3.25 89 78 A 53 GLY H A 52 GLU HBx 1.0 . 4.60 90 79 A 58 ARG HD3 A 58 ARG HBx 1.0 . 3.64 91 79 A 58 ARG HBx A 58 ARG HD2 1.0 . 3.64 92 80 A 44 CYS H A 44 CYS HB2 1.0 . 2.77 93 80 A 44 CYS HB3 A 44 CYS H 1.0 . 2.77 94 81 A 45 ASN HD2x A 45 ASN HA 1.0 . 4.33 95 82 A 44 CYS H A 65 CYS HA 1.0 . 4.79 96 83 A 36 CYS HBy A 44 CYS H 1.0 . 4.90 97 84 A 45 ASN HD2x A 35 THR HG1 1.0 . 5.50 98 85 A 36 CYS HA A 45 ASN HD2x 1.0 . 4.51 99 86 A 45 ASN HD2x A 45 ASN HB2 1.0 . 3.34 100 86 A 45 ASN HB3 A 45 ASN HD2x 1.0 . 3.34 101 87 A 45 ASN HD2x A 46 PRO HDx 1.0 . 5.50 102 88 A 34 THR HG2% A 45 ASN HD2x 1.0 . 3.17 103 89 A 45 ASN HD2x A 35 THR H 1.0 . 4.47 104 90 A 44 CYS H A 43 GLY H 1.0 . 3.31 105 91 A 44 CYS H A 46 PRO HDy 1.0 . 5.50 106 92 A 81 ALA HB% A 82 PRO HGx 1.0 . 3.81 107 93 A 54 THR HG2% A 55 PRO HD2 1.0 . 3.31 108 93 A 54 THR HG2% A 55 PRO HD3 1.0 . 3.31 109 94 A 54 THR HA A 54 THR HG2% 1.0 . 3.21 110 95 A 54 THR HA A 54 THR HG1 1.0 . 3.64 111 96 A 41 HIS HBy A 42 CYS H 1.0 . 4.71 112 97 A 41 HIS HBx A 42 CYS H 1.0 . 4.01 113 98 A 44 CYS H A 42 CYS H 1.0 . 4.74 114 99 A 35 THR HG2% A 42 CYS H 1.0 . 4.33 115 100 A 72 ASN HA A 72 ASN HB2 1.0 . 2.91 116 100 A 72 ASN HA A 72 ASN HB3 1.0 . 2.91 117 101 A 40 GLU HA A 40 GLU HGy 1.0 . 4.06 118 102 A 40 GLU H A 41 HIS H 1.0 . 4.32 119 103 A 40 GLU H A 40 GLU HBy 1.0 . 3.60 120 104 A 35 THR HB A 40 GLU H 1.0 . 3.94 121 105 A 40 GLU H A 35 THR HG2% 1.0 . 4.90 122 106 A 40 GLU H A 35 THR HG1 1.0 . 5.08 123 107 A 40 GLU H A 40 GLU HGx 1.0 . 4.63 124 108 A 54 THR HA A 55 PRO HD2 1.0 . 3.00 125 108 A 54 THR HA A 55 PRO HD3 1.0 . 3.00 126 109 A 54 THR H A 66 SER HBx 1.0 . 4.60 127 110 A 54 THR HG1 A 54 THR H 1.0 . 3.77 128 111 A 54 THR H A 55 PRO HD2 1.0 . 5.02 129 111 A 55 PRO HD3 A 54 THR H 1.0 . 5.02 130 112 A 54 THR H A 54 THR HB 1.0 . 3.18 131 113 A 68 GLY H A 69 ALA HB% 1.0 . 5.37 132 114 A 58 ARG HA A 58 ARG HG2 1.0 . 3.61 133 114 A 58 ARG HA A 58 ARG HG3 1.0 . 3.61 134 115 A 36 CYS H A 45 ASN H 1.0 . 5.50 135 116 A 36 CYS H A 45 ASN HB2 1.0 . 3.91 136 116 A 45 ASN HB3 A 36 CYS H 1.0 . 3.91 137 117 A 63 ALA H A 62 ARG H 1.0 . 4.68 138 118 A 62 ARG H A 61 ARG HG2 1.0 . 4.30 139 118 A 62 ARG H A 61 ARG HG3 1.0 . 4.30 140 119 A 62 ARG H A 62 ARG HD2 1.0 . 3.91 141 119 A 62 ARG HD3 A 62 ARG H 1.0 . 3.91 142 120 A 39 GLY H A 38 CYS HBy 1.0 . 4.23 143 121 A 62 ARG H A 62 ARG HG2 1.0 . 4.08 144 121 A 62 ARG H A 62 ARG HG3 1.0 . 4.08 145 122 A 62 ARG H A 65 CYS HBx 1.0 . 3.83 146 123 A 39 GLY H A 35 THR HG1 1.0 . 4.08 147 124 A 62 ARG H A 62 ARG HBy 1.0 . 3.24 148 125 A 52 GLU H A 52 GLU HGx 1.0 . 4.40 149 126 A 59 ALA HA A 60 ASN H 1.0 . 3.15 150 127 A 52 GLU H A 51 ARG HD2 1.0 . 4.83 151 127 A 51 ARG HD3 A 52 GLU H 1.0 . 4.83 152 128 A 65 CYS H A 43 GLY H 1.0 . 5.50 153 129 A 62 ARG HA A 62 ARG HD2 1.0 . 3.73 154 129 A 62 ARG HD3 A 62 ARG HA 1.0 . 3.73 155 130 A 71 CYS HA A 38 CYS HBy 1.0 . 3.65 156 131 A 58 ARG H A 58 ARG HG2 1.0 . 3.38 157 131 A 58 ARG H A 58 ARG HG3 1.0 . 3.38 158 132 A 62 ARG HD3 A 62 ARG HBx 1.0 . 3.44 159 132 A 62 ARG HBx A 62 ARG HD2 1.0 . 3.44 160 133 A 41 HIS HE1 A 33 HIS H 1.0 . 5.11 161 134 A 35 THR HG2% A 33 HIS H 1.0 . 4.88 162 135 A 60 ASN H A 59 ALA HB% 1.0 . 3.22 163 136 A 65 CYS HBx A 61 ARG HBy 1.0 . 4.36 164 137 A 65 CYS HBx A 61 ARG HBx 1.0 . 4.36 165 138 A 50 GLY H A 48 ALA H 1.0 . 5.20 166 139 A 34 THR H A 48 ALA H 1.0 . 4.97 167 140 A 49 CYS H A 48 ALA H 1.0 . 3.76 168 141 A 34 THR HG1 A 48 ALA H 1.0 . 4.88 169 142 A 48 ALA HB% A 48 ALA H 1.0 . 3.05 170 143 A 69 ALA HB% A 69 ALA H 1.0 . 3.47 171 144 A 65 CYS HBy A 67 CYS H 1.0 . 4.57 172 145 A 68 GLY H A 67 CYS H 1.0 . 4.83 173 146 A 67 CYS H A 66 SER HBy 1.0 . 4.67 174 147 A 54 THR HG2% A 56 SER H 1.0 . 5.28 175 148 A 75 SER H A 75 SER HB2 1.0 . 2.86 176 148 A 75 SER HB3 A 75 SER H 1.0 . 2.86 177 149 A 77 GLY H A 75 SER H 1.0 . 4.36 178 150 A 74 ALA HB% A 75 SER H 1.0 . 3.03 179 151 A 76 CYS HBx A 75 SER H 1.0 . 5.18 180 152 A 35 THR HA A 35 THR HG2% 1.0 . 3.08 181 153 A 62 ARG HD3 A 62 ARG HBy 1.0 . 3.44 182 153 A 62 ARG HBy A 62 ARG HD2 1.0 . 3.44 183 154 A 81 ALA HB% A 83 GLY H 1.0 . 5.28 184 155 A 77 GLY H A 76 CYS HBy 1.0 . 4.37 185 156 A 77 GLY H A 75 SER HA 1.0 . 5.42 186 157 A 77 GLY H A 78 SER HA 1.0 . 5.50 187 158 A 77 GLY H A 74 ALA HB% 1.0 . 4.97 188 159 A 77 GLY H A 74 ALA HA 1.0 . 3.84 189 160 A 77 GLY H A 76 CYS HBx 1.0 . 4.00 190 161 A 52 GLU HA A 52 GLU HGy 1.0 . 4.20 191 162 A 51 ARG HD3 A 51 ARG HBy 1.0 . 3.69 192 162 A 51 ARG HBy A 51 ARG HD2 1.0 . 3.69 193 163 A 65 CYS HBy A 66 SER H 1.0 . 4.36 194 164 A 66 SER H A 66 SER HBx 1.0 . 3.83 195 165 A 37 GLY H A 36 CYS HBy 1.0 . 4.35 196 166 A 65 CYS H A 62 ARG HBy 1.0 . 4.77 197 167 A 65 CYS H A 67 CYS H 1.0 . 5.50 198 168 A 65 CYS H A 61 ARG HBx 1.0 . 4.24 199 169 A 65 CYS H A 63 ALA HA 1.0 . 4.00 200 170 A 65 CYS H A 63 ALA HB% 1.0 . 4.72 201 171 A 49 CYS HBx A 49 CYS H 1.0 . 3.82 202 172 A 49 CYS H A 51 ARG H 1.0 . 4.56 203 173 A 49 CYS H A 47 CYS HBx 1.0 . 4.01 204 174 A 48 ALA HB% A 49 CYS H 1.0 . 3.17 205 175 A 49 CYS H A 50 GLY HAx 1.0 . 4.79 206 176 A 58 ARG HD3 A 58 ARG HBy 1.0 . 3.64 207 176 A 58 ARG HBy A 58 ARG HD2 1.0 . 3.64 208 177 A 79 ALA HB% A 61 ARG H 1.0 . 4.79 209 178 A 61 ARG H A 61 ARG HBx 1.0 . 3.78 210 179 A 69 ALA HB% A 70 ALA H 1.0 . 3.95 211 180 A 70 ALA H A 70 ALA HB% 1.0 . 3.59 212 181 A 41 HIS HE1 A 33 HIS HD2 1.0 . 5.23 213 182 A 45 ASN HA A 45 ASN HB2 1.0 . 2.96 214 182 A 45 ASN HB3 A 45 ASN HA 1.0 . 2.96 215 183 A 36 CYS HA A 45 ASN HB2 1.0 . 3.79 216 183 A 45 ASN HB3 A 36 CYS HA 1.0 . 3.79 217 184 A 46 PRO HDx A 45 ASN HB2 1.0 . 4.21 218 184 A 45 ASN HB3 A 46 PRO HDx 1.0 . 4.21 219 185 A 33 HIS HE1 A 33 HIS HA 1.0 . 5.47 220 186 A 33 HIS HE1 A 49 CYS HBx 1.0 . 3.63 221 187 A 33 HIS HE1 A 33 HIS HB2 1.0 . 4.46 222 187 A 33 HIS HE1 A 33 HIS HB3 1.0 . 4.46 223 188 A 33 HIS HE1 A 49 CYS HA 1.0 . 3.96 224 189 A 33 HIS HE1 A 49 CYS H 1.0 . 4.12 225 190 A 51 ARG HA A 51 ARG HD2 1.0 . 4.59 226 190 A 51 ARG HD3 A 51 ARG HA 1.0 . 4.59 227 191 A 69 ALA HB% A 71 CYS H 1.0 . 5.04 228 192 A 71 CYS H A 38 CYS HBy 1.0 . 5.20 229 193 A 71 CYS H A 69 ALA HA 1.0 . 4.51 230 194 A 70 ALA HB% A 71 CYS H 1.0 . 3.77 231 195 A 71 CYS H A 38 CYS HBx 1.0 . 5.20 232 196 A 63 ALA H A 62 ARG HBy 1.0 . 4.10 233 197 A 47 CYS H A 50 GLY HAx 1.0 . 4.58 234 198 A 47 CYS HBy A 47 CYS H 1.0 . 3.69 235 199 A 49 CYS H A 47 CYS H 1.0 . 4.64 236 200 A 47 CYS H A 47 CYS HBx 1.0 . 3.84 237 201 A 61 ARG HA A 61 ARG HD2 1.0 . 3.92 238 201 A 61 ARG HA A 61 ARG HD3 1.0 . 3.92 239 202 A 46 PRO HDx A 45 ASN HA 1.0 . 3.05 240 203 A 34 THR HG2% A 34 THR HA 1.0 . 2.96 241 204 A 34 THR HG2% A 45 ASN HB2 1.0 . 3.02 242 204 A 34 THR HG2% A 45 ASN HB3 1.0 . 3.02 243 205 A 35 THR HG2% A 35 THR H 1.0 . 3.15 244 206 A 35 THR H A 35 THR HG1 1.0 . 3.36 245 207 A 34 THR HG2% A 35 THR H 1.0 . 3.70 246 208 A 40 GLU HA A 40 GLU HGx 1.0 . 4.06 247 209 A 45 ASN HA A 46 PRO HDy 1.0 . 3.01 248 210 A 46 PRO HDy A 45 ASN HB2 1.0 . 4.52 249 210 A 45 ASN HB3 A 46 PRO HDy 1.0 . 4.52 250 211 A 79 ALA H A 78 SER HBx 1.0 . 4.90 251 212 A 81 ALA HB% A 81 ALA H 1.0 . 3.54 252 213 A 79 ALA H A 79 ALA HB% 1.0 . 3.30 253 214 A 80 THR H A 81 ALA H 1.0 . 5.50 254 215 A 37 GLY H A 36 CYS HBx 1.0 . 5.41 255 216 A 56 SER H A 55 PRO HD2 1.0 . 5.44 256 216 A 55 PRO HD3 A 56 SER H 1.0 . 5.44 257 217 A 41 HIS HE1 A 34 THR H 1.0 . 5.15 258 218 A 64 ASN H A 64 ASN HD2y 1.0 . 5.18 259 219 A 35 THR H A 45 ASN HD2y 1.0 . 3.88 260 220 A 64 ASN H A 64 ASN HD2x 1.0 . 5.18 261 221 A 47 CYS H A 46 PRO HDy 1.0 . 5.50 262 222 A 58 ARG H A 59 ALA HA 1.0 . 5.38 263 223 A 64 ASN H A 65 CYS HBx 1.0 . 5.41 264 224 A 48 ALA HB% A 47 CYS H 1.0 . 5.50 265 225 A 79 ALA H A 80 THR HG2% 1.0 . 5.10 266 226 A 80 THR HG2% A 81 ALA H 1.0 . 5.32 267 227 A 34 THR HG2% A 45 ASN HD2y 1.0 . 3.10 268 228 A 34 THR HG1 A 33 HIS HD2 1.0 . 5.50 269 229 A 59 ALA HB% A 60 ASN HD2y 1.0 . 4.68 270 230 A 63 ALA HB% A 64 ASN HD2y 1.0 . 4.51 271 231 A 59 ALA HB% A 60 ASN HD2x 1.0 . 4.68 272 232 A 63 ALA HB% A 64 ASN HD2x 1.0 . 4.51 273 233 A 45 ASN HD2y A 45 ASN HB2 1.0 . 3.02 274 233 A 45 ASN HB3 A 45 ASN HD2y 1.0 . 3.02 275 234 A 72 ASN HD2x A 72 ASN HB2 1.0 . 3.52 276 234 A 72 ASN HB3 A 72 ASN HD2x 1.0 . 3.52 277 235 A 72 ASN HD2y A 72 ASN HB2 1.0 . 3.52 278 235 A 72 ASN HB3 A 72 ASN HD2y 1.0 . 3.52 279 236 A 45 ASN HD2y A 34 THR HB 1.0 . 3.87 280 237 A 36 CYS HA A 45 ASN HD2y 1.0 . 5.05 281 238 A 44 CYS H A 42 CYS HA 1.0 . 4.43 282 239 A 45 ASN HD2x A 34 THR HA 1.0 . 4.73 283 240 A 64 ASN HA A 64 ASN HD2y 1.0 . 4.86 284 241 A 34 THR HA A 45 ASN HD2y 1.0 . 4.62 285 242 A 64 ASN HA A 64 ASN HD2x 1.0 . 4.86 286 243 A 72 ASN HA A 72 ASN HD2y 1.0 . 5.26 287 244 A 45 ASN HA A 45 ASN HD2y 1.0 . 4.79 288 245 A 72 ASN HA A 72 ASN HD2x 1.0 . 5.26 289 246 A 41 HIS H A 41 HIS HE1 1.0 . 5.50 290 247 A 34 THR H A 33 HIS HD2 1.0 . 4.80 291 248 A 81 ALA HA A 82 PRO HGy 1.0 . 4.56 292 249 A 74 ALA HB% A 75 SER HB2 1.0 . 4.43 293 249 A 75 SER HB3 A 74 ALA HB% 1.0 . 4.43 294 250 A 44 CYS HB3 A 75 SER HB2 1.0 . 2.68 295 250 A 44 CYS HB2 A 75 SER HB2 1.0 . 2.68 296 250 A 75 SER HB3 A 44 CYS HB2 1.0 . 2.68 297 250 A 75 SER HB3 A 44 CYS HB3 1.0 . 2.68 298 251 A 71 CYS HA A 38 CYS HBx 1.0 . 3.65 299 252 A 47 CYS HBy A 46 PRO HA 1.0 . 5.39 300 253 A 47 CYS HBy A 50 GLY HAy 1.0 . 5.50 301 254 A 44 CYS HA A 46 PRO HDy 1.0 . 5.01 302 255 A 64 ASN HA A 55 PRO HG2 1.0 . 3.84 303 255 A 55 PRO HG3 A 64 ASN HA 1.0 . 3.84 304 256 A 54 THR HA A 55 PRO HBy 1.0 . 4.96 305 257 A 54 THR HA A 55 PRO HBx 1.0 . 5.49 306 258 A 44 CYS HA A 45 ASN HB2 1.0 . 5.02 307 258 A 45 ASN HB3 A 44 CYS HA 1.0 . 5.02 308 259 A 34 THR HA A 45 ASN HB2 1.0 . 4.89 309 259 A 45 ASN HB3 A 34 THR HA 1.0 . 4.89 310 260 A 54 THR HG2% A 55 PRO HBy 1.0 . 5.46 311 261 A 54 THR HG2% A 55 PRO HG2 1.0 . 4.45 312 261 A 55 PRO HG3 A 54 THR HG2% 1.0 . 4.45 313 262 A 59 ALA HB% A 61 ARG HD2 1.0 . 4.00 314 262 A 59 ALA HB% A 61 ARG HD3 1.0 . 4.00 315 263 A 35 THR HG1 A 39 GLY HA2 1.0 . 4.10 316 263 A 35 THR HG1 A 39 GLY HA3 1.0 . 4.10 317 264 A 35 THR HG2% A 41 HIS HA 1.0 . 3.83 318 265 A 35 THR HG1 A 36 CYS HBx 1.0 . 5.25 319 266 A 35 THR HG2% A 33 HIS HB2 1.0 . 3.07 320 266 A 35 THR HG2% A 33 HIS HB3 1.0 . 3.07 321 267 A 71 CYS HA A 70 ALA HA 1.0 . 5.50 322 268 A 51 ARG H A 50 GLY HAy 1.0 . 3.31 323 269 A 51 ARG H A 51 ARG HBy 1.0 . 3.04 324 270 A 51 ARG H A 47 CYS HBx 1.0 . 5.41 325 271 A 51 ARG H A 51 ARG HD2 1.0 . 4.72 326 271 A 51 ARG HD3 A 51 ARG H 1.0 . 4.72 327 272 A 51 ARG H A 51 ARG HBx 1.0 . 3.04 328 273 A 49 CYS HBx A 51 ARG H 1.0 . 4.64 329 274 A 77 GLY H A 72 ASN HA 1.0 . 5.50 330 275 A 77 GLY H A 78 SER H 1.0 . 2.82 331 276 A 41 HIS H A 42 CYS H 1.0 . 4.55 332 277 A 36 CYS HBy A 42 CYS H 1.0 . 4.36 333 278 A 36 CYS H A 42 CYS H 1.0 . 3.18 334 279 A 35 THR HA A 42 CYS H 1.0 . 3.86 335 280 A 42 CYS H A 42 CYS HBy 1.0 . 3.42 336 281 A 42 CYS H A 41 HIS HA 1.0 . 2.76 337 282 A 42 CYS H A 43 GLY HAx 1.0 . 5.25 338 283 A 42 CYS H A 42 CYS HBx 1.0 . 3.28 339 284 A 42 CYS H A 36 CYS HBx 1.0 . 4.92 340 285 A 41 HIS HD2 A 42 CYS H 1.0 . 4.79 341 286 A 42 CYS H A 45 ASN HB2 1.0 . 4.88 342 286 A 45 ASN HB3 A 42 CYS H 1.0 . 4.88 343 287 A 45 ASN H A 42 CYS H 1.0 . 4.75 344 288 A 45 ASN H A 44 CYS HB2 1.0 . 3.88 345 288 A 44 CYS HB3 A 45 ASN H 1.0 . 3.88 346 289 A 45 ASN H A 43 GLY HAy 1.0 . 4.35 347 290 A 45 ASN H A 46 PRO HDy 1.0 . 3.74 348 291 A 45 ASN H A 46 PRO HA 1.0 . 4.59 349 292 A 45 ASN H A 42 CYS HBy 1.0 . 4.32 350 293 A 45 ASN H A 45 ASN HB2 1.0 . 3.00 351 293 A 45 ASN HB3 A 45 ASN H 1.0 . 3.00 352 294 A 45 ASN H A 43 GLY HAx 1.0 . 4.36 353 295 A 39 GLY H A 38 CYS HBx 1.0 . 4.23 354 296 A 35 THR HB A 39 GLY H 1.0 . 4.21 355 297 A 39 GLY H A 36 CYS HBx 1.0 . 4.19 356 298 A 63 ALA H A 63 ALA HA 1.0 . 2.82 357 299 A 63 ALA H A 62 ARG HBx 1.0 . 4.10 358 300 A 63 ALA H A 63 ALA HB% 1.0 . 3.02 359 301 A 40 GLU H A 40 GLU HGy 1.0 . 4.63 360 302 A 40 GLU H A 36 CYS HBy 1.0 . 3.90 361 303 A 40 GLU H A 40 GLU HBx 1.0 . 3.60 362 304 A 40 GLU H A 39 GLY HA2 1.0 . 3.22 363 304 A 40 GLU H A 39 GLY HA3 1.0 . 3.22 364 305 A 40 GLU H A 36 CYS HBx 1.0 . 3.64 365 306 A 62 ARG H A 61 ARG HBy 1.0 . 3.19 366 307 A 62 ARG H A 61 ARG HD2 1.0 . 4.65 367 307 A 62 ARG H A 61 ARG HD3 1.0 . 4.65 368 308 A 62 ARG H A 62 ARG HBx 1.0 . 3.24 369 309 A 62 ARG H A 61 ARG HBx 1.0 . 3.19 370 310 A 62 ARG H A 61 ARG HA 1.0 . 2.85 371 311 A 62 ARG H A 65 CYS HBy 1.0 . 4.03 372 312 A 52 GLU H A 51 ARG HG2 1.0 . 4.02 373 312 A 51 ARG HG3 A 52 GLU H 1.0 . 4.02 374 313 A 51 ARG HA A 52 GLU H 1.0 . 2.59 375 314 A 52 GLU H A 52 GLU HGy 1.0 . 4.40 376 315 A 63 ALA H A 64 ASN H 1.0 . 4.25 377 316 A 64 ASN H A 63 ALA HA 1.0 . 3.29 378 317 A 64 ASN H A 64 ASN HBy 1.0 . 4.16 379 318 A 64 ASN H A 65 CYS HBy 1.0 . 4.58 380 319 A 64 ASN H A 63 ALA HB% 1.0 . 3.62 381 320 A 55 PRO HBx A 64 ASN H 1.0 . 5.04 382 321 A 64 ASN H A 64 ASN HBx 1.0 . 4.16 383 322 A 41 HIS H A 40 GLU HBy 1.0 . 4.34 384 323 A 41 HIS H A 41 HIS HBy 1.0 . 2.89 385 324 A 35 THR HB A 41 HIS H 1.0 . 4.90 386 325 A 41 HIS H A 51 ARG HD2 1.0 . 5.50 387 325 A 41 HIS H A 51 ARG HD3 1.0 . 5.50 388 326 A 41 HIS H A 40 GLU HBx 1.0 . 4.34 389 327 A 41 HIS H A 40 GLU HA 1.0 . 2.72 390 328 A 54 THR H A 66 SER HBy 1.0 . 4.60 391 329 A 36 CYS H A 41 HIS H 1.0 . 5.16 392 330 A 36 CYS H A 36 CYS HBy 1.0 . 2.96 393 331 A 35 THR HA A 36 CYS H 1.0 . 2.85 394 332 A 36 CYS H A 42 CYS HBy 1.0 . 3.82 395 333 A 35 THR HB A 36 CYS H 1.0 . 2.72 396 334 A 36 CYS H A 35 THR HG2% 1.0 . 4.03 397 335 A 36 CYS H A 35 THR HG1 1.0 . 4.37 398 336 A 36 CYS H A 42 CYS HBx 1.0 . 3.88 399 337 A 37 GLY H A 36 CYS H 1.0 . 5.09 400 338 A 36 CYS H A 36 CYS HBx 1.0 . 2.88 401 339 A 36 CYS H A 41 HIS HA 1.0 . 3.68 402 340 A 36 CYS H A 39 GLY HA2 1.0 . 5.02 403 340 A 36 CYS H A 39 GLY HA3 1.0 . 5.02 404 341 A 36 CYS H A 40 GLU HA 1.0 . 5.33 405 342 A 58 ARG H A 56 SER HB2 1.0 . 3.90 406 342 A 58 ARG H A 56 SER HB3 1.0 . 3.90 407 343 A 58 ARG H A 58 ARG HBy 1.0 . 3.96 408 344 A 58 ARG H A 59 ALA H 1.0 . 5.02 409 345 A 58 ARG H A 58 ARG HD2 1.0 . 4.56 410 345 A 58 ARG H A 58 ARG HD3 1.0 . 4.56 411 346 A 58 ARG H A 58 ARG HBx 1.0 . 3.96 412 347 A 68 GLY H A 69 ALA H 1.0 . 5.50 413 348 A 67 CYS H A 66 SER H 1.0 . 3.13 414 349 A 67 CYS H A 66 SER HBx 1.0 . 4.67 415 350 A 67 CYS H A 42 CYS HBx 1.0 . 5.17 416 351 A 65 CYS HA A 67 CYS H 1.0 . 3.95 417 352 A 33 HIS H A 33 HIS HB2 1.0 . 3.04 418 352 A 33 HIS HB3 A 33 HIS H 1.0 . 3.04 419 353 A 33 HIS H A 32 GLU HA 1.0 . 2.97 420 354 A 34 THR H A 33 HIS H 1.0 . 4.82 421 355 A 48 ALA H A 34 THR HB 1.0 . 5.26 422 356 A 47 CYS HBy A 48 ALA H 1.0 . 5.04 423 357 A 47 CYS HA A 48 ALA H 1.0 . 3.12 424 358 A 64 ASN HA A 65 CYS H 1.0 . 3.51 425 359 A 65 CYS H A 61 ARG HBy 1.0 . 4.24 426 360 A 65 CYS H A 62 ARG H 1.0 . 4.18 427 361 A 65 CYS H A 64 ASN H 1.0 . 3.31 428 362 A 65 CYS H A 65 CYS HBx 1.0 . 2.94 429 363 A 65 CYS H A 62 ARG HBx 1.0 . 4.77 430 364 A 65 CYS H A 66 SER H 1.0 . 4.67 431 365 A 65 CYS H A 61 ARG HG2 1.0 . 5.28 432 365 A 65 CYS H A 61 ARG HG3 1.0 . 5.28 433 366 A 65 CYS H A 65 CYS HBy 1.0 . 2.92 434 367 A 55 PRO HBx A 65 CYS H 1.0 . 4.52 435 368 A 65 CYS H A 66 SER HA 1.0 . 5.37 436 369 A 65 CYS HBx A 66 SER H 1.0 . 4.47 437 370 A 66 SER H A 42 CYS HA 1.0 . 4.12 438 371 A 66 SER H A 66 SER HBy 1.0 . 3.83 439 372 A 66 SER H A 42 CYS HBx 1.0 . 4.80 440 373 A 65 CYS HA A 66 SER H 1.0 . 2.65 441 374 A 50 GLY H A 51 ARG H 1.0 . 3.07 442 375 A 50 GLY H A 47 CYS HBx 1.0 . 3.67 443 376 A 49 CYS HBy A 50 GLY H 1.0 . 4.41 444 377 A 50 GLY H A 50 GLY HAx 1.0 . 2.82 445 378 A 49 CYS HBy A 49 CYS H 1.0 . 2.84 446 379 A 47 CYS HBy A 49 CYS H 1.0 . 4.48 447 380 A 49 CYS H A 50 GLY HAy 1.0 . 4.97 448 381 A 49 CYS H A 34 THR H 1.0 . 5.50 449 382 A 71 CYS H A 70 ALA HA 1.0 . 3.55 450 383 A 71 CYS H A 71 CYS HB2 1.0 . 2.70 451 383 A 71 CYS H A 71 CYS HB3 1.0 . 2.70 452 384 A 70 ALA H A 71 CYS H 1.0 . 4.09 453 385 A 61 ARG H A 61 ARG HBy 1.0 . 3.78 454 386 A 62 ARG H A 61 ARG H 1.0 . 4.61 455 387 A 59 ALA HA A 61 ARG H 1.0 . 4.57 456 388 A 60 ASN H A 61 ARG H 1.0 . 3.74 457 389 A 61 ARG H A 60 ASN HA 1.0 . 3.39 458 390 A 61 ARG H A 61 ARG HD2 1.0 . 4.64 459 390 A 61 ARG H A 61 ARG HD3 1.0 . 4.64 460 391 A 59 ALA HB% A 61 ARG H 1.0 . 3.63 461 392 A 61 ARG H A 61 ARG HG2 1.0 . 3.79 462 392 A 61 ARG HG3 A 61 ARG H 1.0 . 3.79 463 393 A 68 GLY H A 70 ALA H 1.0 . 5.50 464 394 A 56 SER H A 56 SER HB2 1.0 . 3.39 465 394 A 56 SER H A 56 SER HB3 1.0 . 3.39 466 395 A 58 ARG H A 56 SER H 1.0 . 5.50 467 396 A 67 CYS H A 56 SER H 1.0 . 5.50 468 397 A 55 PRO HBx A 56 SER H 1.0 . 4.04 469 398 A 56 SER H A 66 SER H 1.0 . 5.44 470 399 A 56 SER H A 55 PRO HG2 1.0 . 4.89 471 399 A 55 PRO HG3 A 56 SER H 1.0 . 4.89 472 400 A 56 SER H A 66 SER HA 1.0 . 3.32 473 401 A 59 ALA H A 60 ASN HA 1.0 . 4.88 474 402 A 58 ARG HA A 59 ALA H 1.0 . 3.10 475 403 A 59 ALA HB% A 59 ALA H 1.0 . 3.44 476 404 A 53 GLY H A 51 ARG HG2 1.0 . 4.85 477 404 A 51 ARG HG3 A 53 GLY H 1.0 . 4.85 478 405 A 41 HIS HBx A 53 GLY H 1.0 . 4.85 479 406 A 53 GLY H A 52 GLU H 1.0 . 4.14 480 407 A 53 GLY H A 52 GLU HGy 1.0 . 5.41 481 408 A 53 GLY H A 52 GLU HGx 1.0 . 5.41 482 409 A 57 GLY H A 55 PRO HG2 1.0 . 5.14 483 409 A 55 PRO HG3 A 57 GLY H 1.0 . 5.14 484 410 A 55 PRO HBx A 57 GLY H 1.0 . 4.80 485 411 A 35 THR H A 34 THR HB 1.0 . 4.39 486 412 A 35 THR H A 45 ASN HB2 1.0 . 4.33 487 412 A 45 ASN HB3 A 35 THR H 1.0 . 4.33 488 413 A 35 THR HB A 35 THR H 1.0 . 4.18 489 414 A 35 THR H A 34 THR HA 1.0 . 2.49 490 415 A 43 GLY H A 67 CYS H 1.0 . 5.50 491 416 A 43 GLY H A 43 GLY HAy 1.0 . 2.93 492 417 A 43 GLY H A 42 CYS HBy 1.0 . 4.21 493 418 A 43 GLY H A 66 SER H 1.0 . 4.53 494 419 A 43 GLY H A 42 CYS HA 1.0 . 2.88 495 420 A 43 GLY H A 42 CYS HBx 1.0 . 4.05 496 421 A 43 GLY H A 44 CYS HB2 1.0 . 4.54 497 421 A 44 CYS HB3 A 43 GLY H 1.0 . 4.54 498 422 A 43 GLY H A 65 CYS HA 1.0 . 4.33 499 423 A 68 GLY H A 71 CYS H 1.0 . 5.50 500 424 A 67 CYS HA A 68 GLY H 1.0 . 2.95 501 425 A 76 CYS H A 76 CYS HBy 1.0 . 3.75 502 426 A 76 CYS H A 73 CYS HBx 1.0 . 4.52 503 427 A 76 CYS H A 73 CYS HBy 1.0 . 3.45 504 428 A 76 CYS H A 74 ALA HB% 1.0 . 4.30 505 429 A 76 CYS H A 44 CYS HB2 1.0 . 4.81 506 429 A 76 CYS H A 44 CYS HB3 1.0 . 4.81 507 430 A 78 SER H A 74 ALA HA 1.0 . 4.58 508 431 A 78 SER H A 79 ALA HB% 1.0 . 4.95 509 432 A 38 CYS H A 38 CYS HBy 1.0 . 3.72 510 433 A 38 CYS H A 73 CYS HBy 1.0 . 4.62 511 434 A 37 GLY H A 38 CYS H 1.0 . 4.00 512 435 A 38 CYS H A 36 CYS HBx 1.0 . 3.62 513 436 A 73 CYS H A 38 CYS H 1.0 . 4.89 514 437 A 38 CYS H A 38 CYS HBx 1.0 . 3.72 515 438 A 38 CYS H A 39 GLY HA2 1.0 . 4.51 516 438 A 38 CYS H A 39 GLY HA3 1.0 . 4.51 517 439 A 72 ASN H A 72 ASN HB2 1.0 . 4.05 518 439 A 72 ASN H A 72 ASN HB3 1.0 . 4.05 519 440 A 72 ASN H A 71 CYS HB2 1.0 . 4.48 520 440 A 72 ASN H A 71 CYS HB3 1.0 . 4.48 521 441 A 72 ASN H A 71 CYS HA 1.0 . 3.57 522 442 A 34 THR H A 33 HIS HB2 1.0 . 3.14 523 442 A 33 HIS HB3 A 34 THR H 1.0 . 3.14 524 443 A 34 THR H A 34 THR HB 1.0 . 3.24 525 444 A 34 THR H A 47 CYS HBx 1.0 . 3.42 526 445 A 47 CYS HBy A 34 THR H 1.0 . 4.47 527 446 A 73 CYS H A 74 ALA H 1.0 . 5.06 528 447 A 73 CYS H A 38 CYS HBy 1.0 . 5.18 529 448 A 73 CYS H A 76 CYS HBy 1.0 . 5.50 530 449 A 73 CYS H A 73 CYS HBx 1.0 . 2.76 531 450 A 73 CYS H A 71 CYS H 1.0 . 5.50 532 451 A 73 CYS H A 71 CYS HA 1.0 . 4.08 533 452 A 73 CYS H A 72 ASN HA 1.0 . 3.32 534 453 A 73 CYS H A 73 CYS HBy 1.0 . 2.71 535 454 A 74 ALA H A 75 SER H 1.0 . 4.59 536 455 A 75 SER H A 44 CYS HB2 1.0 . 5.08 537 455 A 44 CYS HB3 A 75 SER H 1.0 . 5.08 538 456 A 76 CYS H A 75 SER H 1.0 . 3.17 539 457 A 75 SER H A 73 CYS HBy 1.0 . 4.57 540 458 A 47 CYS H A 48 ALA H 1.0 . 4.55 541 459 A 47 CYS H A 46 PRO HA 1.0 . 2.67 542 460 A 47 CYS H A 50 GLY HAy 1.0 . 2.92 543 461 A 34 THR HG2% A 47 CYS H 1.0 . 5.37 544 462 A 47 CYS H A 34 THR H 1.0 . 5.50 545 463 A 44 CYS H A 45 ASN HA 1.0 . 5.27 546 464 A 44 CYS H A 42 CYS HBy 1.0 . 3.48 547 465 A 44 CYS H A 45 ASN HB2 1.0 . 4.70 548 465 A 45 ASN HB3 A 44 CYS H 1.0 . 4.70 549 466 A 79 ALA H A 78 SER HBy 1.0 . 4.90 550 467 A 79 ALA H A 80 THR H 1.0 . 5.28 551 468 A 32 GLU H A 32 GLU HGx 1.0 . 5.34 552 468 A 32 GLU H A 32 GLU HGy 1.0 . 5.34 553 469 A 32 GLU HA A 32 GLU HGx 1.0 . 3.50 554 469 A 32 GLU HA A 32 GLU HGy 1.0 . 3.50 555 470 A 33 HIS H A 32 GLU HGx 1.0 . 4.39 556 470 A 33 HIS H A 32 GLU HGy 1.0 . 4.39 557 471 A 35 THR HB A 40 GLU HBy 1.0 . 4.73 558 471 A 35 THR HB A 40 GLU HBx 1.0 . 4.73 559 472 A 35 THR HB A 40 GLU HGy 1.0 . 5.34 560 472 A 35 THR HB A 40 GLU HGx 1.0 . 5.34 561 473 A 36 CYS H A 40 GLU HBy 1.0 . 4.88 562 473 A 36 CYS H A 40 GLU HBx 1.0 . 4.88 563 474 A 38 CYS H A 38 CYS HBy 1.0 . 3.18 564 474 A 38 CYS H A 38 CYS HBx 1.0 . 3.18 565 475 A 40 GLU H A 38 CYS HBy 1.0 . 5.32 566 475 A 40 GLU H A 38 CYS HBx 1.0 . 5.32 567 476 A 71 CYS H A 38 CYS HBy 1.0 . 4.53 568 476 A 71 CYS H A 38 CYS HBx 1.0 . 4.53 569 477 A 71 CYS HA A 38 CYS HBy 1.0 . 3.16 570 477 A 71 CYS HA A 38 CYS HBx 1.0 . 3.16 571 478 A 72 ASN H A 38 CYS HBy 1.0 . 4.44 572 478 A 72 ASN H A 38 CYS HBx 1.0 . 4.44 573 479 A 73 CYS H A 38 CYS HBy 1.0 . 4.49 574 479 A 73 CYS H A 38 CYS HBx 1.0 . 4.49 575 480 A 40 GLU H A 40 GLU HBy 1.0 . 2.83 576 480 A 40 GLU H A 40 GLU HBx 1.0 . 2.83 577 481 A 41 HIS H A 40 GLU HBy 1.0 . 3.81 578 481 A 41 HIS H A 40 GLU HBx 1.0 . 3.81 579 482 A 67 CYS HA A 40 GLU HBy 1.0 . 4.83 580 482 A 67 CYS HA A 40 GLU HBx 1.0 . 4.83 581 483 A 41 HIS H A 40 GLU HGy 1.0 . 3.27 582 483 A 41 HIS H A 40 GLU HGx 1.0 . 3.27 583 484 A 67 CYS HA A 40 GLU HGy 1.0 . 3.81 584 484 A 67 CYS HA A 40 GLU HGx 1.0 . 3.81 585 485 A 68 GLY H A 40 GLU HGy 1.0 . 5.15 586 485 A 68 GLY H A 40 GLU HGx 1.0 . 5.15 587 486 A 42 CYS H A 52 GLU HBx 1.0 . 5.34 588 486 A 42 CYS H A 52 GLU HBy 1.0 . 5.34 589 487 A 43 GLY H A 64 ASN HBy 1.0 . 4.83 590 487 A 43 GLY H A 64 ASN HBx 1.0 . 4.83 591 488 A 45 ASN HA A 46 PRO HBx 1.0 . 5.02 592 488 A 45 ASN HA A 46 PRO HBy 1.0 . 5.02 593 489 A 47 CYS H A 46 PRO HBx 1.0 . 3.51 594 489 A 47 CYS H A 46 PRO HBy 1.0 . 3.51 595 490 A 50 GLY H A 51 ARG HBy 1.0 . 4.71 596 490 A 50 GLY H A 51 ARG HBx 1.0 . 4.71 597 491 A 51 ARG HA A 52 GLU HBx 1.0 . 4.60 598 491 A 51 ARG HA A 52 GLU HBy 1.0 . 4.60 599 492 A 51 ARG HBy A 51 ARG HD2 1.0 . 3.17 600 492 A 51 ARG HBx A 51 ARG HD2 1.0 . 3.17 601 492 A 51 ARG HD3 A 51 ARG HBy 1.0 . 3.17 602 492 A 51 ARG HD3 A 51 ARG HBx 1.0 . 3.17 603 493 A 52 GLU H A 51 ARG HBy 1.0 . 3.90 604 493 A 52 GLU H A 51 ARG HBx 1.0 . 3.90 605 494 A 51 ARG HD3 A 53 GLY HAy 1.0 . 4.88 606 494 A 51 ARG HD2 A 53 GLY HAy 1.0 . 4.88 607 494 A 53 GLY HAx A 51 ARG HD2 1.0 . 4.88 608 494 A 51 ARG HD3 A 53 GLY HAx 1.0 . 4.88 609 495 A 52 GLU H A 52 GLU HBx 1.0 . 3.28 610 495 A 52 GLU H A 52 GLU HBy 1.0 . 3.28 611 496 A 52 GLU H A 52 GLU HGy 1.0 . 3.73 612 496 A 52 GLU H A 52 GLU HGx 1.0 . 3.73 613 497 A 52 GLU HA A 52 GLU HGy 1.0 . 3.58 614 497 A 52 GLU HA A 52 GLU HGx 1.0 . 3.58 615 498 A 53 GLY H A 52 GLU HGy 1.0 . 4.70 616 498 A 53 GLY H A 52 GLU HGx 1.0 . 4.70 617 499 A 53 GLY H A 66 SER HBy 1.0 . 5.34 618 499 A 53 GLY H A 66 SER HBx 1.0 . 5.34 619 500 A 54 THR H A 53 GLY HAy 1.0 . 2.77 620 500 A 54 THR H A 53 GLY HAx 1.0 . 2.77 621 501 A 53 GLY HAx A 66 SER HBy 1.0 . 3.93 622 501 A 66 SER HBx A 53 GLY HAy 1.0 . 3.93 623 501 A 53 GLY HAx A 66 SER HBx 1.0 . 3.93 624 501 A 53 GLY HAy A 66 SER HBy 1.0 . 3.93 625 502 A 54 THR H A 66 SER HBy 1.0 . 3.89 626 502 A 54 THR H A 66 SER HBx 1.0 . 3.89 627 503 A 56 SER H A 66 SER HBy 1.0 . 5.02 628 503 A 56 SER H A 66 SER HBx 1.0 . 5.02 629 504 A 56 SER HA A 57 GLY HAx 1.0 . 5.04 630 504 A 56 SER HA A 57 GLY HAy 1.0 . 5.04 631 505 A 57 GLY HAx A 58 ARG HBx 1.0 . 5.10 632 505 A 57 GLY HAy A 58 ARG HBx 1.0 . 5.10 633 505 A 58 ARG HBy A 57 GLY HAx 1.0 . 5.10 634 505 A 57 GLY HAy A 58 ARG HBy 1.0 . 5.10 635 506 A 58 ARG H A 58 ARG HBx 1.0 . 3.21 636 506 A 58 ARG H A 58 ARG HBy 1.0 . 3.21 637 507 A 59 ALA H A 58 ARG HBx 1.0 . 4.24 638 507 A 59 ALA H A 58 ARG HBy 1.0 . 4.24 639 508 A 59 ALA HB% A 58 ARG HBx 1.0 . 4.98 640 508 A 59 ALA HB% A 58 ARG HBy 1.0 . 4.98 641 509 A 59 ALA HB% A 60 ASN HD2y 1.0 . 4.10 642 509 A 59 ALA HB% A 60 ASN HD2x 1.0 . 4.10 643 510 A 60 ASN HD2y A 60 ASN HA 1.0 . 4.39 644 510 A 60 ASN HD2x A 60 ASN HA 1.0 . 4.39 645 511 A 60 ASN HD2y A 60 ASN HBx 1.0 . 3.03 646 511 A 60 ASN HD2y A 60 ASN HBy 1.0 . 3.03 647 511 A 60 ASN HD2x A 60 ASN HBx 1.0 . 3.03 648 511 A 60 ASN HD2x A 60 ASN HBy 1.0 . 3.03 649 512 A 62 ARG H A 61 ARG HBx 1.0 . 2.60 650 512 A 62 ARG H A 61 ARG HBy 1.0 . 2.60 651 513 A 62 ARG HA A 61 ARG HBx 1.0 . 4.75 652 513 A 62 ARG HA A 61 ARG HBy 1.0 . 4.75 653 514 A 63 ALA H A 61 ARG HBx 1.0 . 3.60 654 514 A 63 ALA H A 61 ARG HBy 1.0 . 3.60 655 515 A 64 ASN H A 61 ARG HBx 1.0 . 4.54 656 515 A 64 ASN H A 61 ARG HBy 1.0 . 4.54 657 516 A 65 CYS HBx A 61 ARG HBx 1.0 . 3.66 658 516 A 65 CYS HBx A 61 ARG HBy 1.0 . 3.66 659 517 A 65 CYS HBy A 61 ARG HBx 1.0 . 3.76 660 517 A 65 CYS HBy A 61 ARG HBy 1.0 . 3.76 661 518 A 76 CYS HA A 61 ARG HBx 1.0 . 4.91 662 518 A 76 CYS HA A 61 ARG HBy 1.0 . 4.91 663 519 A 62 ARG H A 62 ARG HBx 1.0 . 2.58 664 519 A 62 ARG H A 62 ARG HBy 1.0 . 2.58 665 520 A 63 ALA HB% A 62 ARG HBx 1.0 . 5.34 666 520 A 63 ALA HB% A 62 ARG HBy 1.0 . 5.34 667 521 A 64 ASN H A 62 ARG HBx 1.0 . 4.87 668 521 A 64 ASN H A 62 ARG HBy 1.0 . 4.87 669 522 A 65 CYS H A 62 ARG HBx 1.0 . 4.10 670 522 A 65 CYS H A 62 ARG HBy 1.0 . 4.10 671 523 A 65 CYS HBx A 62 ARG HBx 1.0 . 4.24 672 523 A 65 CYS HBx A 62 ARG HBy 1.0 . 4.24 673 524 A 64 ASN H A 64 ASN HBy 1.0 . 3.45 674 524 A 64 ASN H A 64 ASN HBx 1.0 . 3.45 675 525 A 64 ASN HA A 64 ASN HD2y 1.0 . 4.14 676 525 A 64 ASN HA A 64 ASN HD2x 1.0 . 4.14 677 526 A 64 ASN HD2x A 64 ASN HBy 1.0 . 3.05 678 526 A 64 ASN HD2y A 64 ASN HBx 1.0 . 3.05 679 526 A 64 ASN HD2y A 64 ASN HBy 1.0 . 3.05 680 526 A 64 ASN HD2x A 64 ASN HBx 1.0 . 3.05 681 527 A 65 CYS H A 64 ASN HBy 1.0 . 4.38 682 527 A 65 CYS H A 64 ASN HBx 1.0 . 4.38 683 528 A 65 CYS H A 66 SER HBy 1.0 . 5.34 684 528 A 65 CYS H A 66 SER HBx 1.0 . 5.34 685 529 A 66 SER H A 66 SER HBy 1.0 . 3.25 686 529 A 66 SER H A 66 SER HBx 1.0 . 3.25 687 530 A 66 SER H A 67 CYS HBx 1.0 . 4.71 688 530 A 66 SER H A 67 CYS HBy 1.0 . 4.71 689 531 A 67 CYS H A 66 SER HBy 1.0 . 4.10 690 531 A 67 CYS H A 66 SER HBx 1.0 . 4.10 691 532 A 67 CYS H A 67 CYS HBx 1.0 . 2.95 692 532 A 67 CYS H A 67 CYS HBy 1.0 . 2.95 693 533 A 68 GLY H A 67 CYS HBx 1.0 . 3.16 694 533 A 68 GLY H A 67 CYS HBy 1.0 . 3.16 695 534 A 72 ASN HA A 72 ASN HD2y 1.0 . 4.46 696 534 A 72 ASN HA A 72 ASN HD2x 1.0 . 4.46 697 535 A 72 ASN HD2x A 72 ASN HB2 1.0 . 3.00 698 535 A 72 ASN HB3 A 72 ASN HD2x 1.0 . 3.00 699 535 A 72 ASN HD2y A 72 ASN HB2 1.0 . 3.00 700 535 A 72 ASN HB3 A 72 ASN HD2y 1.0 . 3.00 701 536 A 76 CYS H A 77 GLY HAx 1.0 . 4.50 702 536 A 76 CYS H A 77 GLY HAy 1.0 . 4.50 703 537 A 78 SER H A 77 GLY HAx 1.0 . 3.00 704 537 A 78 SER H A 77 GLY HAy 1.0 . 3.00 705 538 A 78 SER H A 78 SER HBy 1.0 . 3.25 706 538 A 78 SER H A 78 SER HBx 1.0 . 3.25 707 539 A 79 ALA H A 78 SER HBy 1.0 . 4.22 708 539 A 79 ALA H A 78 SER HBx 1.0 . 4.22 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 1 ZN ZN A 47 CYS SG 1.0 . 2.30 2 2 B 1 ZN ZN A 49 CYS SG 1.0 . 2.30 3 3 B 1 ZN ZN A 47 CYS CB 1.0 . 3.50 4 4 B 1 ZN ZN A 49 CYS CB 1.0 . 3.50 5 5 B 1 ZN ZN A 41 HIS NE2 1.0 . 2.00 6 6 B 1 ZN ZN A 41 HIS CD2 1.0 . 3.10 7 7 B 1 ZN ZN A 41 HIS CE1 1.0 . 3.10 8 8 B 1 ZN ZN A 33 HIS ND1 1.0 . 2.00 9 9 B 1 ZN ZN A 33 HIS CG 1.0 . 3.10 10 10 B 1 ZN ZN A 33 HIS CE1 1.0 . 3.10 11 11 A 47 CYS SG A 49 CYS SG 1.0 . 3.77 12 12 A 41 HIS NE2 A 33 HIS ND1 1.0 . 3.27 13 13 A 47 CYS SG A 33 HIS ND1 1.0 . 3.53 14 14 A 47 CYS SG A 41 HIS NE2 1.0 . 3.53 15 15 A 49 CYS SG A 33 HIS ND1 1.0 . 3.53 16 16 A 49 CYS SG A 41 HIS NE2 1.0 . 3.53 17 17 A 36 CYS SG 3 1 ZN ZN 1.0 . 2.30 18 18 3 1 ZN ZN A 67 CYS SG 1.0 . 2.30 19 19 3 1 ZN ZN A 38 CYS SG 1.0 . 2.30 20 20 3 1 ZN ZN A 71 CYS SG 1.0 . 2.30 21 21 A 36 CYS SG 4 1 ZN ZN 1.0 . 2.30 22 22 4 1 ZN ZN A 76 CYS SG 1.0 . 2.30 23 23 4 1 ZN ZN A 44 CYS SG 1.0 . 2.30 24 24 4 1 ZN ZN A 73 CYS SG 1.0 . 2.30 25 25 A 67 CYS SG 5 1 ZN ZN 1.0 . 2.30 26 26 A 76 CYS SG 5 1 ZN ZN 1.0 . 2.30 27 27 5 1 ZN ZN A 42 CYS SG 1.0 . 2.30 28 28 5 1 ZN ZN A 65 CYS SG 1.0 . 2.30 29 29 3 1 ZN ZN 4 1 ZN ZN 1.0 . 4.00 30 30 3 1 ZN ZN 5 1 ZN ZN 1.0 . 4.00 31 31 4 1 ZN ZN 5 1 ZN ZN 1.0 . 4.00 32 32 3 1 ZN ZN A 36 CYS CB 1.0 . 3.50 33 33 3 1 ZN ZN A 67 CYS CB 1.0 . 3.50 34 34 3 1 ZN ZN A 38 CYS CB 1.0 . 3.50 35 35 3 1 ZN ZN A 71 CYS CB 1.0 . 3.50 36 36 4 1 ZN ZN A 36 CYS CB 1.0 . 3.50 37 37 4 1 ZN ZN A 76 CYS CB 1.0 . 3.50 38 38 4 1 ZN ZN A 44 CYS CB 1.0 . 3.50 39 39 4 1 ZN ZN A 73 CYS CB 1.0 . 3.50 40 40 5 1 ZN ZN A 67 CYS CB 1.0 . 3.50 41 41 5 1 ZN ZN A 76 CYS CB 1.0 . 3.50 42 42 5 1 ZN ZN A 42 CYS CB 1.0 . 3.50 43 43 5 1 ZN ZN A 65 CYS CB 1.0 . 3.50 44 44 A 36 CYS SG A 67 CYS SG 1.0 . 3.77 45 45 A 36 CYS SG A 76 CYS SG 1.0 . 3.77 46 46 A 67 CYS SG A 76 CYS SG 1.0 . 3.77 47 47 A 38 CYS SG A 71 CYS SG 1.0 . 3.77 48 48 A 44 CYS SG A 73 CYS SG 1.0 . 3.77 49 49 A 42 CYS SG A 65 CYS SG 1.0 . 3.77 50 50 A 36 CYS SG A 38 CYS SG 1.0 . 3.77 51 51 A 36 CYS SG A 71 CYS SG 1.0 . 3.77 52 52 A 36 CYS SG A 44 CYS SG 1.0 . 3.77 53 53 A 36 CYS SG A 73 CYS SG 1.0 . 3.77 54 54 A 67 CYS SG A 38 CYS SG 1.0 . 3.77 55 55 A 67 CYS SG A 71 CYS SG 1.0 . 3.77 56 56 A 67 CYS SG A 42 CYS SG 1.0 . 3.77 57 57 A 67 CYS SG A 65 CYS SG 1.0 . 3.77 58 58 A 76 CYS SG A 44 CYS SG 1.0 . 3.77 59 59 A 76 CYS SG A 73 CYS SG 1.0 . 3.77 60 60 A 76 CYS SG A 42 CYS SG 1.0 . 3.77 61 61 A 76 CYS SG A 65 CYS SG 1.0 . 3.77 62 62 B 1 ZN ZN A 47 CYS SG 1.0 . 2.30 63 63 B 1 ZN ZN A 49 CYS SG 1.0 . 2.30 64 64 B 1 ZN ZN A 47 CYS CB 1.0 . 3.30 65 65 B 1 ZN ZN A 49 CYS CB 1.0 . 3.30 66 66 B 1 ZN ZN A 41 HIS NE2 1.0 . 2.00 67 67 B 1 ZN ZN A 41 HIS CD2 1.0 . 2.90 68 68 B 1 ZN ZN A 41 HIS CE1 1.0 . 2.90 69 69 B 1 ZN ZN A 33 HIS ND1 1.0 . 2.00 70 70 B 1 ZN ZN A 33 HIS CG 1.0 . 2.90 71 71 B 1 ZN ZN A 33 HIS CE1 1.0 . 2.90 72 72 A 47 CYS SG A 49 CYS SG 1.0 . 3.77 73 73 A 41 HIS NE2 A 33 HIS ND1 1.0 . 3.27 74 74 A 47 CYS SG A 33 HIS ND1 1.0 . 3.51 75 75 A 47 CYS SG A 41 HIS NE2 1.0 . 3.51 76 76 A 49 CYS SG A 33 HIS ND1 1.0 . 3.51 77 77 A 49 CYS SG A 41 HIS NE2 1.0 . 3.51 78 78 A 36 CYS SG 3 1 ZN ZN 1.0 . 2.30 79 79 3 1 ZN ZN A 67 CYS SG 1.0 . 2.30 80 80 3 1 ZN ZN A 38 CYS SG 1.0 . 2.30 81 81 3 1 ZN ZN A 71 CYS SG 1.0 . 2.30 82 82 A 36 CYS SG 4 1 ZN ZN 1.0 . 2.30 83 83 4 1 ZN ZN A 76 CYS SG 1.0 . 2.30 84 84 4 1 ZN ZN A 44 CYS SG 1.0 . 2.30 85 85 4 1 ZN ZN A 73 CYS SG 1.0 . 2.30 86 86 A 67 CYS SG 5 1 ZN ZN 1.0 . 2.30 87 87 A 76 CYS SG 5 1 ZN ZN 1.0 . 2.30 88 88 5 1 ZN ZN A 42 CYS SG 1.0 . 2.30 89 89 5 1 ZN ZN A 65 CYS SG 1.0 . 2.30 90 90 3 1 ZN ZN 4 1 ZN ZN 1.0 . 3.75 91 91 3 1 ZN ZN 5 1 ZN ZN 1.0 . 3.75 92 92 4 1 ZN ZN 5 1 ZN ZN 1.0 . 3.75 93 93 3 1 ZN ZN A 36 CYS CB 1.0 . 3.30 94 94 3 1 ZN ZN A 67 CYS CB 1.0 . 3.30 95 95 3 1 ZN ZN A 38 CYS CB 1.0 . 3.30 96 96 3 1 ZN ZN A 71 CYS CB 1.0 . 3.30 97 97 4 1 ZN ZN A 36 CYS CB 1.0 . 3.30 98 98 4 1 ZN ZN A 76 CYS CB 1.0 . 3.30 99 99 4 1 ZN ZN A 44 CYS CB 1.0 . 3.30 100 100 4 1 ZN ZN A 73 CYS CB 1.0 . 3.30 101 101 5 1 ZN ZN A 67 CYS CB 1.0 . 3.30 102 102 5 1 ZN ZN A 76 CYS CB 1.0 . 3.30 103 103 5 1 ZN ZN A 42 CYS CB 1.0 . 3.30 104 104 5 1 ZN ZN A 65 CYS CB 1.0 . 3.30 105 105 A 36 CYS SG A 67 CYS SG 1.0 . 3.77 106 106 A 36 CYS SG A 76 CYS SG 1.0 . 3.77 107 107 A 67 CYS SG A 76 CYS SG 1.0 . 3.77 108 108 A 38 CYS SG A 71 CYS SG 1.0 . 3.77 109 109 A 44 CYS SG A 73 CYS SG 1.0 . 3.77 110 110 A 42 CYS SG A 65 CYS SG 1.0 . 3.77 111 111 A 36 CYS SG A 38 CYS SG 1.0 . 3.77 112 112 A 36 CYS SG A 71 CYS SG 1.0 . 3.77 113 113 A 36 CYS SG A 44 CYS SG 1.0 . 3.77 114 114 A 36 CYS SG A 73 CYS SG 1.0 . 3.77 115 115 A 67 CYS SG A 38 CYS SG 1.0 . 3.77 116 116 A 67 CYS SG A 71 CYS SG 1.0 . 3.77 117 117 A 67 CYS SG A 42 CYS SG 1.0 . 3.77 118 118 A 67 CYS SG A 65 CYS SG 1.0 . 3.77 119 119 A 76 CYS SG A 44 CYS SG 1.0 . 3.77 120 120 A 76 CYS SG A 73 CYS SG 1.0 . 3.77 121 121 A 76 CYS SG A 42 CYS SG 1.0 . 3.77 122 122 A 76 CYS SG A 65 CYS SG 1.0 . 3.77 stop_ save_