data_nef_c17763_2lfk 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 BMRB 17779 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 6 CYS SG 1 33 CYS SG 1 20 CYS SG 1 40 CYS SG 1 29 CYS SG 1 55 CYS SG 1 34 CYS SG 1 51 CYS SG 1 6 CYS SG 1 33 CYS SG 1 20 CYS SG 1 40 CYS SG 1 29 CYS SG 1 55 CYS SG 1 34 CYS SG 1 51 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 19 GLY start . false 2 A 20 ASP middle . . 3 A 21 LYS middle . . 4 A 22 GLU middle . . 5 A 23 GLU middle . . 6 A 24 CYS middle -HG . 7 A 25 THR middle . . 8 A 26 VAL middle . . 9 A 27 PRO middle . false 10 A 28 ILE middle . . 11 A 29 GLY middle . false 12 A 30 TRP middle . . 13 A 31 SER middle . . 14 A 32 GLU middle . . 15 A 33 PRO middle . false 16 A 34 VAL middle . . 17 A 35 LYS middle . . 18 A 36 GLY middle . false 19 A 37 LEU middle . . 20 A 38 CYS middle -HG . 21 A 39 LYS middle . . 22 A 40 ALA middle . . 23 A 41 ARG middle . . 24 A 42 PHE middle . . 25 A 43 THR middle . . 26 A 44 ARG middle . . 27 A 45 TYR middle . . 28 A 46 TYR middle . . 29 A 47 CYS middle -HG . 30 A 48 MET middle . . 31 A 49 GLY middle . false 32 A 50 ASN middle . . 33 A 51 CYS middle -HG . 34 A 52 CYS middle -HG . 35 A 53 LYS middle . . 36 A 54 VAL middle . . 37 A 55 TYR middle . . 38 A 56 GLU middle . . 39 A 57 GLY middle . false 40 A 58 CYS middle -HG . 41 A 59 TYR middle . . 42 A 60 THR middle . . 43 A 61 GLY middle . false 44 A 62 GLY middle . false 45 A 63 TYR middle . . 46 A 64 SER middle . . 47 A 65 ARG middle . . 48 A 66 MET middle . . 49 A 67 GLY middle . false 50 A 68 GLU middle . . 51 A 69 CYS middle -HG . 52 A 70 ALA middle . . 53 A 71 ARG middle . . 54 A 72 ASN middle . . 55 A 73 CYS middle -HG . 56 A 74 PRO middle . false 57 A 75 GLY end . false 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 19 GLY HAx H 1 3.786 0.02 A 20 ASP H H 1 8.665 0.02 A 20 ASP HA H 1 4.682 0.02 A 20 ASP HBy H 1 2.836 0.02 A 20 ASP HBx H 1 2.793 0.02 A 21 LYS H H 1 8.401 0.02 A 21 LYS HA H 1 4.223 0.02 A 21 LYS HBy H 1 1.753 0.02 A 21 LYS HBx H 1 1.679 0.02 A 21 LYS HEx H 1 2.903 0.02 A 21 LYS HEy H 1 2.903 0.02 A 21 LYS HGy H 1 1.375 0.02 A 21 LYS HGx H 1 1.322 0.02 A 22 GLU H H 1 8.227 0.02 A 22 GLU HA H 1 4.274 0.02 A 22 GLU HBy H 1 2.013 0.02 A 22 GLU HBx H 1 1.890 0.02 A 22 GLU HGx H 1 2.371 0.02 A 22 GLU HGy H 1 2.371 0.02 A 23 GLU H H 1 8.242 0.02 A 23 GLU HA H 1 4.310 0.02 A 23 GLU HBy H 1 1.973 0.02 A 23 GLU HBx H 1 1.875 0.02 A 23 GLU HGx H 1 2.347 0.02 A 23 GLU HGy H 1 2.347 0.02 A 24 CYS H H 1 8.465 0.02 A 24 CYS HA H 1 4.817 0.02 A 24 CYS HBx H 1 2.861 0.02 A 24 CYS HBy H 1 2.861 0.02 A 25 THR H H 1 8.443 0.02 A 25 THR HA H 1 4.298 0.02 A 25 THR HB H 1 3.938 0.02 A 25 THR HG2% H 1 1.028 0.02 A 26 VAL H H 1 8.287 0.02 A 26 VAL HA H 1 4.044 0.02 A 26 VAL HB H 1 1.889 0.02 A 26 VAL HGx% H 1 0.852 0.02 A 26 VAL HGy% H 1 0.852 0.02 A 27 PRO HA H 1 4.332 0.02 A 27 PRO HBx H 1 2.206 0.02 A 27 PRO HDy H 1 3.784 0.02 A 27 PRO HDx H 1 2.987 0.02 A 27 PRO HGy H 1 1.717 0.02 A 27 PRO HGx H 1 1.536 0.02 A 28 ILE H H 1 8.285 0.02 A 28 ILE HA H 1 3.891 0.02 A 28 ILE HB H 1 1.754 0.02 A 28 ILE HD1% H 1 0.854 0.02 A 28 ILE HG1y H 1 1.558 0.02 A 28 ILE HG1x H 1 1.253 0.02 A 28 ILE HG2% H 1 0.877 0.02 A 29 GLY H H 1 8.783 0.02 A 29 GLY HAx H 1 3.706 0.02 A 29 GLY HAy H 1 4.118 0.02 A 30 TRP H H 1 7.757 0.02 A 30 TRP HA H 1 4.303 0.02 A 30 TRP HBy H 1 3.170 0.02 A 30 TRP HBx H 1 3.034 0.02 A 30 TRP HD1 H 1 7.153 0.02 A 30 TRP HE1 H 1 9.978 0.02 A 30 TRP HE3 H 1 7.519 0.02 A 30 TRP HH2 H 1 7.415 0.02 A 30 TRP HZ2 H 1 7.426 0.02 A 30 TRP HZ3 H 1 7.140 0.02 A 31 SER H H 1 7.823 0.02 A 31 SER HA H 1 4.251 0.02 A 31 SER HBy H 1 3.606 0.02 A 31 SER HBx H 1 3.515 0.02 A 32 GLU H H 1 8.198 0.02 A 32 GLU HA H 1 4.147 0.02 A 32 GLU HBy H 1 1.985 0.02 A 32 GLU HBx H 1 1.743 0.02 A 32 GLU HGy H 1 2.517 0.02 A 32 GLU HGx H 1 2.451 0.02 A 33 PRO HA H 1 3.941 0.02 A 33 PRO HBy H 1 1.116 0.02 A 33 PRO HBx H 1 0.887 0.02 A 33 PRO HDy H 1 3.147 0.02 A 33 PRO HDx H 1 2.914 0.02 A 33 PRO HGy H 1 0.205 0.02 A 33 PRO HGx H 1 0.067 0.02 A 34 VAL H H 1 8.116 0.02 A 34 VAL HA H 1 3.824 0.02 A 34 VAL HB H 1 1.830 0.02 A 34 VAL HGx% H 1 0.779 0.02 A 34 VAL HGy% H 1 0.880 0.02 A 35 LYS H H 1 8.385 0.02 A 35 LYS HA H 1 3.724 0.02 A 35 LYS HBx H 1 1.484 0.02 A 35 LYS HBy H 1 1.484 0.02 A 35 LYS HDx H 1 1.585 0.02 A 35 LYS HDy H 1 1.585 0.02 A 35 LYS HEx H 1 2.933 0.02 A 35 LYS HEy H 1 2.933 0.02 A 35 LYS HGy H 1 1.368 0.02 A 35 LYS HGx H 1 1.241 0.02 A 35 LYS HZ1 H 1 7.462 0.02 A 35 LYS HZ2 H 1 7.462 0.02 A 35 LYS HZ3 H 1 7.462 0.02 A 36 GLY H H 1 8.071 0.02 A 36 GLY HAx H 1 3.747 0.02 A 36 GLY HAy H 1 4.221 0.02 A 37 LEU H H 1 8.398 0.02 A 37 LEU HA H 1 4.374 0.02 A 37 LEU HBx H 1 1.510 0.02 A 37 LEU HBy H 1 1.510 0.02 A 37 LEU HDx% H 1 0.831 0.02 A 37 LEU HDy% H 1 0.766 0.02 A 37 LEU HG H 1 1.578 0.02 A 38 CYS H H 1 7.946 0.02 A 38 CYS HA H 1 4.834 0.02 A 38 CYS HBy H 1 3.467 0.02 A 38 CYS HBx H 1 3.224 0.02 A 39 LYS H H 1 8.432 0.02 A 39 LYS HA H 1 4.284 0.02 A 39 LYS HBx H 1 1.580 0.02 A 39 LYS HGy H 1 1.378 0.02 A 39 LYS HGx H 1 1.319 0.02 A 40 ALA H H 1 7.132 0.02 A 40 ALA HA H 1 3.905 0.02 A 40 ALA HB% H 1 0.732 0.02 A 41 ARG H H 1 8.059 0.02 A 41 ARG HA H 1 4.055 0.02 A 41 ARG HBy H 1 1.656 0.02 A 41 ARG HBx H 1 1.474 0.02 A 41 ARG HDx H 1 3.062 0.02 A 41 ARG HDy H 1 3.062 0.02 A 41 ARG HE H 1 7.074 0.02 A 41 ARG HGx H 1 1.333 0.02 A 41 ARG HGy H 1 1.404 0.02 A 42 PHE H H 1 8.118 0.02 A 42 PHE HA H 1 5.047 0.02 A 42 PHE HBy H 1 3.276 0.02 A 42 PHE HBx H 1 3.240 0.02 A 42 PHE HD1 H 1 7.328 0.02 A 42 PHE HD2 H 1 7.328 0.02 A 42 PHE HE1 H 1 7.208 0.02 A 42 PHE HE2 H 1 7.208 0.02 A 42 PHE HZ H 1 7.163 0.02 A 43 THR H H 1 8.752 0.02 A 43 THR HA H 1 4.824 0.02 A 43 THR HB H 1 3.986 0.02 A 43 THR HG2% H 1 0.914 0.02 A 44 ARG H H 1 8.792 0.02 A 44 ARG HA H 1 4.817 0.02 A 44 ARG HBy H 1 1.509 0.02 A 44 ARG HBx H 1 1.439 0.02 A 44 ARG HDy H 1 3.090 0.02 A 44 ARG HDx H 1 3.042 0.02 A 44 ARG HE H 1 7.111 0.02 A 44 ARG HGy H 1 1.665 0.02 A 44 ARG HGx H 1 1.612 0.02 A 45 TYR H H 1 8.866 0.02 A 45 TYR HA H 1 5.071 0.02 A 45 TYR HBx H 1 2.547 0.02 A 45 TYR HBy H 1 2.605 0.02 A 45 TYR HD1 H 1 6.735 0.02 A 45 TYR HD2 H 1 6.735 0.02 A 46 TYR H H 1 9.194 0.02 A 46 TYR HA H 1 4.924 0.02 A 46 TYR HBx H 1 2.737 0.02 A 46 TYR HBy H 1 2.836 0.02 A 46 TYR HD1 H 1 6.928 0.02 A 46 TYR HD2 H 1 6.928 0.02 A 46 TYR HE1 H 1 6.310 0.02 A 46 TYR HE2 H 1 6.310 0.02 A 47 CYS H H 1 9.450 0.02 A 47 CYS HA H 1 4.758 0.02 A 47 CYS HBy H 1 3.132 0.02 A 47 CYS HBx H 1 2.968 0.02 A 48 MET H H 1 9.039 0.02 A 48 MET HA H 1 4.571 0.02 A 48 MET HBy H 1 1.821 0.02 A 48 MET HBx H 1 1.728 0.02 A 48 MET HE% H 1 1.911 0.02 A 48 MET HGx H 1 2.221 0.02 A 48 MET HGy H 1 2.221 0.02 A 49 GLY H H 1 6.977 0.02 A 49 GLY HAx H 1 2.926 0.02 A 49 GLY HAy H 1 3.862 0.02 A 50 ASN H H 1 8.052 0.02 A 50 ASN HA H 1 4.536 0.02 A 50 ASN HBy H 1 2.834 0.02 A 50 ASN HBx H 1 2.651 0.02 A 50 ASN HD2y H 1 7.345 0.02 A 50 ASN HD2x H 1 6.757 0.02 A 51 CYS H H 1 7.461 0.02 A 51 CYS HA H 1 4.691 0.02 A 51 CYS HBy H 1 3.067 0.02 A 51 CYS HBx H 1 3.032 0.02 A 52 CYS H H 1 8.834 0.02 A 52 CYS HA H 1 5.466 0.02 A 52 CYS HBy H 1 3.465 0.02 A 52 CYS HBx H 1 2.547 0.02 A 53 LYS H H 1 9.150 0.02 A 53 LYS HA H 1 4.616 0.02 A 53 LYS HBx H 1 1.803 0.02 A 53 LYS HBy H 1 1.803 0.02 A 53 LYS HDy H 1 1.627 0.02 A 53 LYS HDx H 1 1.521 0.02 A 53 LYS HEy H 1 2.837 0.02 A 53 LYS HEx H 1 2.721 0.02 A 53 LYS HGy H 1 1.365 0.02 A 53 LYS HGx H 1 1.132 0.02 A 53 LYS HZ1 H 1 7.410 0.02 A 53 LYS HZ2 H 1 7.410 0.02 A 53 LYS HZ3 H 1 7.410 0.02 A 54 VAL H H 1 8.124 0.02 A 54 VAL HA H 1 4.290 0.02 A 54 VAL HB H 1 1.738 0.02 A 54 VAL HGx% H 1 0.664 0.02 A 54 VAL HGy% H 1 0.528 0.02 A 55 TYR H H 1 8.967 0.02 A 55 TYR HA H 1 4.178 0.02 A 55 TYR HBy H 1 1.958 0.02 A 55 TYR HBx H 1 1.696 0.02 A 55 TYR HD1 H 1 6.765 0.02 A 55 TYR HD2 H 1 6.765 0.02 A 55 TYR HE1 H 1 6.513 0.02 A 55 TYR HE2 H 1 6.513 0.02 A 56 GLU H H 1 8.462 0.02 A 56 GLU HA H 1 5.745 0.02 A 56 GLU HBx H 1 1.863 0.02 A 56 GLU HBy H 1 1.863 0.02 A 56 GLU HGy H 1 2.313 0.02 A 56 GLU HGx H 1 2.260 0.02 A 57 GLY H H 1 9.262 0.02 A 57 GLY HAx H 1 3.905 0.02 A 57 GLY HAy H 1 4.450 0.02 A 58 CYS H H 1 8.957 0.02 A 58 CYS HA H 1 4.607 0.02 A 58 CYS HBx H 1 2.747 0.02 A 58 CYS HBy H 1 3.247 0.02 A 59 TYR H H 1 7.888 0.02 A 59 TYR HA H 1 4.814 0.02 A 59 TYR HBy H 1 3.432 0.02 A 59 TYR HBx H 1 2.373 0.02 A 59 TYR HD1 H 1 6.724 0.02 A 59 TYR HD2 H 1 6.724 0.02 A 59 TYR HE1 H 1 6.386 0.02 A 59 TYR HE2 H 1 6.386 0.02 A 60 THR H H 1 8.623 0.02 A 60 THR HA H 1 4.304 0.02 A 60 THR HB H 1 4.304 0.02 A 60 THR HG2% H 1 0.978 0.02 A 61 GLY H H 1 7.479 0.02 A 61 GLY HAx H 1 3.712 0.02 A 61 GLY HAy H 1 4.221 0.02 A 62 GLY H H 1 8.005 0.02 A 62 GLY HAx H 1 2.573 0.02 A 62 GLY HAy H 1 2.999 0.02 A 63 TYR H H 1 8.884 0.02 A 63 TYR HA H 1 4.681 0.02 A 63 TYR HBx H 1 2.566 0.02 A 63 TYR HBy H 1 3.098 0.02 A 63 TYR HD1 H 1 6.986 0.02 A 63 TYR HD2 H 1 6.986 0.02 A 63 TYR HE1 H 1 6.715 0.02 A 63 TYR HE2 H 1 6.715 0.02 A 64 SER H H 1 9.090 0.02 A 64 SER HA H 1 4.504 0.02 A 64 SER HBy H 1 4.111 0.02 A 64 SER HBx H 1 3.961 0.02 A 65 ARG H H 1 7.182 0.02 A 65 ARG HA H 1 4.585 0.02 A 65 ARG HBy H 1 1.820 0.02 A 65 ARG HBx H 1 1.390 0.02 A 65 ARG HDy H 1 3.189 0.02 A 65 ARG HDx H 1 3.091 0.02 A 65 ARG HE H 1 7.156 0.02 A 65 ARG HGx H 1 1.554 0.02 A 65 ARG HGy H 1 1.554 0.02 A 66 MET H H 1 8.312 0.02 A 66 MET HA H 1 3.176 0.02 A 66 MET HBx H 1 1.266 0.02 A 66 MET HBy H 1 1.548 0.02 A 66 MET HE% H 1 2.017 0.02 A 66 MET HGy H 1 2.336 0.02 A 66 MET HGx H 1 2.184 0.02 A 67 GLY H H 1 8.757 0.02 A 67 GLY HAx H 1 3.601 0.02 A 68 GLU H H 1 6.370 0.02 A 68 GLU HA H 1 3.802 0.02 A 68 GLU HBx H 1 1.983 0.02 A 68 GLU HBy H 1 1.983 0.02 A 68 GLU HGx H 1 2.329 0.02 A 68 GLU HGy H 1 2.329 0.02 A 69 CYS H H 1 6.810 0.02 A 69 CYS HA H 1 2.716 0.02 A 69 CYS HBy H 1 3.100 0.02 A 69 CYS HBx H 1 2.679 0.02 A 70 ALA H H 1 8.534 0.02 A 70 ALA HA H 1 3.740 0.02 A 70 ALA HB% H 1 1.255 0.02 A 71 ARG H H 1 6.930 0.02 A 71 ARG HA H 1 4.065 0.02 A 71 ARG HBx H 1 1.691 0.02 A 71 ARG HDx H 1 3.053 0.02 A 71 ARG HDy H 1 3.053 0.02 A 71 ARG HE H 1 7.065 0.02 A 71 ARG HGy H 1 1.685 0.02 A 71 ARG HGx H 1 1.576 0.02 A 72 ASN H H 1 7.267 0.02 A 72 ASN HA H 1 4.767 0.02 A 72 ASN HBx H 1 2.046 0.02 A 72 ASN HBy H 1 2.995 0.02 A 72 ASN HD2y H 1 7.186 0.02 A 72 ASN HD2x H 1 6.876 0.02 A 73 CYS H H 1 6.995 0.02 A 73 CYS HA H 1 5.129 0.02 A 73 CYS HBy H 1 2.708 0.02 A 73 CYS HBx H 1 2.653 0.02 A 74 PRO HA H 1 4.736 0.02 A 74 PRO HBy H 1 2.464 0.02 A 74 PRO HBx H 1 2.143 0.02 A 74 PRO HDy H 1 3.634 0.02 A 74 PRO HDx H 1 3.431 0.02 A 74 PRO HGy H 1 1.936 0.02 A 74 PRO HGx H 1 1.882 0.02 A 75 GLY H H 1 8.504 0.02 A 75 GLY HAx H 1 3.974 0.02 A 75 GLY HAy H 1 3.974 0.02 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 30 TRP HE1 A 48 MET HA 1.0 . 4.47 2 2 A 46 TYR HBx A 47 CYS H 1.0 . 4.74 3 3 A 47 CYS H A 46 TYR HBy 1.0 . 3.98 4 4 A 56 GLU HA A 57 GLY H 1.0 . 2.86 5 5 A 57 GLY H A 43 THR HA 1.0 . 4.97 6 6 A 57 GLY H A 41 ARG HA 1.0 . 4.04 7 7 A 57 GLY H A 56 GLU HBx 1.0 . 3.88 8 7 A 57 GLY H A 56 GLU HBy 1.0 . 3.88 9 8 A 46 TYR H A 55 TYR HD% 1.0 . 3.92 10 9 A 46 TYR H A 45 TYR HA 1.0 . 2.94 11 10 A 46 TYR H A 54 VAL HA 1.0 . 4.10 12 11 A 46 TYR HBx A 46 TYR H 1.0 . 3.29 13 12 A 46 TYR H A 45 TYR HBx 1.0 . 4.56 14 13 A 46 TYR H A 45 TYR HBy 1.0 . 3.92 15 14 A 52 CYS HA A 53 LYS H 1.0 . 3.04 16 15 A 53 LYS H A 47 CYS HA 1.0 . 4.34 17 16 A 53 LYS H A 53 LYS HBx 1.0 . 3.51 18 16 A 53 LYS H A 53 LYS HBy 1.0 . 3.51 19 17 A 63 TYR HA A 64 SER H 1.0 . 3.23 20 18 A 64 SER H A 64 SER HBy 1.0 . 3.78 21 19 A 64 SER H A 64 SER HBx 1.0 . 3.78 22 20 A 64 SER H A 63 TYR HBy 1.0 . 3.61 23 21 A 64 SER H A 63 TYR HBx 1.0 . 4.02 24 22 A 48 MET H A 49 GLY H 1.0 . 4.37 25 23 A 52 CYS HA A 48 MET H 1.0 . 3.71 26 24 A 48 MET H A 48 MET HGx 1.0 . 3.61 27 24 A 48 MET H A 48 MET HGy 1.0 . 3.61 28 25 A 48 MET H A 48 MET HBy 1.0 . 3.34 29 26 A 42 PHE H A 58 CYS H 1.0 . 4.31 30 27 A 45 TYR HA A 55 TYR H 1.0 . 4.11 31 28 A 43 THR HA A 55 TYR H 1.0 . 5.30 32 29 A 55 TYR H A 44 ARG HA 1.0 . 5.50 33 30 A 54 VAL HA A 55 TYR H 1.0 . 2.64 34 31 A 55 TYR H A 54 VAL HB 1.0 . 4.22 35 32 A 55 TYR H A 55 TYR HBx 1.0 . 3.80 36 33 A 55 TYR H A 43 THR HG2% 1.0 . 5.16 37 34 A 55 TYR H A 54 VAL HGx% 1.0 . 3.84 38 35 A 55 TYR H A 54 VAL HGy% 1.0 . 3.35 39 36 A 55 TYR H A 45 TYR HD% 1.0 . 4.93 40 37 A 58 CYS H A 58 CYS HBx 1.0 . 3.42 41 38 A 62 GLY H A 63 TYR H 1.0 . 5.50 42 39 A 63 TYR H A 63 TYR HD% 1.0 . 3.37 43 40 A 63 TYR H A 46 TYR HA 1.0 . 5.50 44 41 A 63 TYR HBy A 63 TYR H 1.0 . 3.99 45 42 A 63 TYR H A 62 GLY HAy 1.0 . 3.52 46 43 A 63 TYR H A 62 GLY HAx 1.0 . 3.52 47 44 A 63 TYR HBx A 63 TYR H 1.0 . 3.68 48 45 A 45 TYR HD% A 45 TYR H 1.0 . 3.52 49 46 A 52 CYS H A 52 CYS HBx 1.0 . 3.83 50 47 A 56 GLU HA A 44 ARG H 1.0 . 4.07 51 48 A 55 TYR H A 44 ARG H 1.0 . 3.66 52 49 A 29 GLY H A 30 TRP HA 1.0 . 5.50 53 50 A 54 VAL HA A 44 ARG H 1.0 . 5.50 54 51 A 44 ARG H A 43 THR HB 1.0 . 5.12 55 52 A 44 ARG H A 44 ARG HGx 1.0 . 4.60 56 53 A 43 THR HG2% A 44 ARG H 1.0 . 4.10 57 54 A 54 VAL HGy% A 44 ARG H 1.0 . 4.38 58 55 A 29 GLY H A 28 ILE HA 1.0 . 3.47 59 56 A 29 GLY H A 28 ILE HG2% 1.0 . 3.99 60 57 A 42 PHE H A 43 THR H 1.0 . 5.28 61 58 A 43 THR H A 42 PHE HA 1.0 . 2.93 62 59 A 65 ARG HA A 67 GLY H 1.0 . 5.41 63 60 A 43 THR HB A 43 THR H 1.0 . 3.29 64 61 A 67 GLY H A 66 MET HGx 1.0 . 5.50 65 62 A 67 GLY H A 66 MET HBx 1.0 . 3.97 66 63 A 43 THR HG2% A 43 THR H 1.0 . 4.05 67 64 A 60 THR H A 60 THR HG2% 1.0 . 3.35 68 65 A 67 GLY HAx A 70 ALA H 1.0 . 3.88 69 66 A 70 ALA H A 70 ALA HB% 1.0 . 2.77 70 67 A 70 ALA H A 69 CYS HBx 1.0 . 4.24 71 68 A 73 CYS HA A 75 GLY H 1.0 . 4.68 72 69 A 75 GLY H A 74 PRO HBy 1.0 . 4.45 73 70 A 75 GLY H A 74 PRO HBx 1.0 . 4.45 74 71 A 24 CYS H A 23 GLU HGx 1.0 . 4.02 75 71 A 23 GLU HGy A 24 CYS H 1.0 . 4.02 76 72 A 55 TYR HA A 56 GLU H 1.0 . 3.50 77 73 A 55 TYR HBx A 56 GLU H 1.0 . 4.05 78 74 A 38 CYS H A 39 LYS H 1.0 . 4.78 79 75 A 39 LYS H A 38 CYS HBy 1.0 . 3.58 80 76 A 39 LYS H A 38 CYS HBx 1.0 . 3.58 81 77 A 39 LYS H A 39 LYS HGy 1.0 . 4.16 82 78 A 39 LYS H A 40 ALA HB% 1.0 . 4.64 83 79 A 38 CYS H A 37 LEU H 1.0 . 3.40 84 80 A 21 LYS H A 21 LYS HBy 1.0 . 4.12 85 81 A 21 LYS H A 21 LYS HBx 1.0 . 4.12 86 82 A 37 LEU H A 36 GLY H 1.0 . 3.48 87 83 A 37 LEU H A 35 LYS HGx 1.0 . 3.90 88 84 A 34 VAL HGy% A 35 LYS H 1.0 . 4.01 89 85 A 37 LEU H A 37 LEU HDy% 1.0 . 5.47 90 86 A 67 GLY H A 66 MET H 1.0 . 4.13 91 87 A 65 ARG HA A 66 MET H 1.0 . 2.97 92 88 A 66 MET H A 66 MET HGy 1.0 . 5.50 93 89 A 66 MET H A 66 MET HGx 1.0 . 5.50 94 90 A 66 MET H A 65 ARG HBx 1.0 . 4.42 95 91 A 66 MET HBx A 66 MET H 1.0 . 3.96 96 92 A 29 GLY H A 28 ILE H 1.0 . 4.64 97 93 A 28 ILE H A 30 TRP H 1.0 . 5.50 98 94 A 25 THR HA A 26 VAL H 1.0 . 3.33 99 95 A 26 VAL H A 25 THR HB 1.0 . 3.79 100 96 A 24 CYS H A 23 GLU H 1.0 . 4.58 101 97 A 23 GLU H A 23 GLU HGx 1.0 . 3.72 102 97 A 23 GLU HGy A 23 GLU H 1.0 . 3.72 103 98 A 22 GLU H A 22 GLU HGx 1.0 . 4.04 104 98 A 22 GLU H A 22 GLU HGy 1.0 . 4.04 105 99 A 31 SER H A 32 GLU H 1.0 . 4.56 106 100 A 32 GLU H A 31 SER HBy 1.0 . 4.54 107 101 A 32 GLU H A 31 SER HBx 1.0 . 4.54 108 102 A 32 GLU H A 32 GLU HGx 1.0 . 3.88 109 103 A 57 GLY H A 42 PHE H 1.0 . 3.41 110 104 A 42 PHE H A 42 PHE HD% 1.0 . 3.95 111 105 A 34 VAL H A 59 TYR HD% 1.0 . 4.59 112 106 A 56 GLU HA A 42 PHE H 1.0 . 5.30 113 107 A 42 PHE H A 41 ARG HBx 1.0 . 4.55 114 108 A 42 PHE H A 40 ALA HB% 1.0 . 4.47 115 109 A 54 VAL HGx% A 54 VAL H 1.0 . 3.18 116 110 A 54 VAL HGy% A 54 VAL H 1.0 . 3.89 117 111 A 34 VAL H A 34 VAL HGx% 1.0 . 3.83 118 112 A 58 CYS HBx A 36 GLY H 1.0 . 4.90 119 113 A 36 GLY H A 35 LYS HGx 1.0 . 4.57 120 114 A 36 GLY H A 59 TYR HA 1.0 . 4.59 121 115 A 36 GLY H A 34 VAL HGx% 1.0 . 4.91 122 116 A 40 ALA H A 41 ARG H 1.0 . 5.50 123 117 A 41 ARG H A 40 ALA HA 1.0 . 3.20 124 118 A 41 ARG H A 41 ARG HDx 1.0 . 5.13 125 118 A 41 ARG H A 41 ARG HDy 1.0 . 5.13 126 119 A 40 ALA HB% A 41 ARG H 1.0 . 3.25 127 120 A 49 GLY H A 50 ASN H 1.0 . 4.96 128 121 A 50 ASN H A 50 ASN HBy 1.0 . 4.03 129 122 A 50 ASN H A 50 ASN HBx 1.0 . 4.03 130 123 A 36 GLY H A 35 LYS HA 1.0 . 3.10 131 124 A 38 CYS H A 37 LEU HA 1.0 . 3.24 132 125 A 38 CYS H A 38 CYS HBy 1.0 . 3.74 133 126 A 58 CYS HBx A 38 CYS H 1.0 . 4.20 134 127 A 38 CYS H A 37 LEU HBx 1.0 . 4.30 135 127 A 38 CYS H A 37 LEU HBy 1.0 . 4.30 136 128 A 38 CYS H A 37 LEU HDx% 1.0 . 5.50 137 129 A 38 CYS H A 37 LEU HDy% 1.0 . 5.50 138 130 A 58 CYS H A 59 TYR H 1.0 . 4.39 139 131 A 42 PHE HD% A 59 TYR H 1.0 . 3.40 140 132 A 59 TYR H A 58 CYS HA 1.0 . 3.01 141 133 A 59 TYR H A 59 TYR HBy 1.0 . 3.92 142 134 A 58 CYS HBx A 59 TYR H 1.0 . 5.50 143 135 A 59 TYR H A 59 TYR HBx 1.0 . 3.92 144 136 A 31 SER H A 30 TRP HD1 1.0 . 4.21 145 137 A 31 SER H A 31 SER HBy 1.0 . 3.87 146 138 A 31 SER H A 30 TRP HBy 1.0 . 4.19 147 139 A 29 GLY H A 30 TRP H 1.0 . 3.31 148 140 A 30 TRP H A 30 TRP HD1 1.0 . 4.84 149 141 A 30 TRP H A 30 TRP HBy 1.0 . 3.20 150 142 A 30 TRP H A 30 TRP HBx 1.0 . 3.20 151 143 A 30 TRP HA A 30 TRP HE3 1.0 . 3.81 152 144 A 30 TRP HE3 A 30 TRP HBy 1.0 . 4.19 153 145 A 60 THR H A 61 GLY H 1.0 . 3.19 154 146 A 59 TYR HA A 61 GLY H 1.0 . 4.44 155 147 A 61 GLY H A 60 THR HA 1.0 . 3.57 156 148 A 60 THR HG2% A 61 GLY H 1.0 . 4.41 157 149 A 50 ASN H A 51 CYS H 1.0 . 3.18 158 150 A 51 CYS H A 51 CYS HBy 1.0 . 3.96 159 151 A 51 CYS H A 51 CYS HBx 1.0 . 3.96 160 152 A 48 MET H A 51 CYS H 1.0 . 4.58 161 153 A 48 MET HA A 30 TRP HZ2 1.0 . 4.67 162 154 A 42 PHE HD% A 59 TYR HA 1.0 . 5.50 163 155 A 43 THR H A 42 PHE HD% 1.0 . 4.22 164 156 A 42 PHE HA A 42 PHE HD% 1.0 . 3.21 165 157 A 42 PHE HD% A 58 CYS HA 1.0 . 3.42 166 158 A 60 THR HG2% A 42 PHE HD% 1.0 . 3.99 167 159 A 40 ALA HB% A 42 PHE HD% 1.0 . 3.95 168 160 A 70 ALA HB% A 72 ASN H 1.0 . 5.50 169 161 A 72 ASN H A 70 ALA HA 1.0 . 5.22 170 162 A 72 ASN H A 69 CYS HA 1.0 . 4.63 171 163 A 72 ASN H A 72 ASN HBx 1.0 . 3.34 172 164 A 72 ASN H A 71 ARG HGy 1.0 . 4.77 173 165 A 72 ASN H A 71 ARG HGx 1.0 . 4.77 174 166 A 59 TYR H A 42 PHE HE% 1.0 . 5.50 175 167 A 42 PHE HA A 42 PHE HE% 1.0 . 4.72 176 168 A 58 CYS HA A 42 PHE HE% 1.0 . 3.95 177 169 A 60 THR HG2% A 42 PHE HE% 1.0 . 3.80 178 170 A 40 ALA HB% A 42 PHE HE% 1.0 . 3.34 179 171 A 65 ARG H A 68 GLU HA 1.0 . 5.50 180 172 A 65 ARG H A 68 GLU HGx 1.0 . 4.10 181 172 A 65 ARG H A 68 GLU HGy 1.0 . 4.10 182 173 A 64 SER H A 65 ARG H 1.0 . 3.25 183 174 A 45 TYR HD% A 65 ARG H 1.0 . 3.85 184 175 A 63 TYR HA A 65 ARG H 1.0 . 5.50 185 176 A 65 ARG H A 64 SER HBy 1.0 . 4.42 186 177 A 65 ARG H A 64 SER HBx 1.0 . 4.42 187 178 A 63 TYR HBy A 65 ARG H 1.0 . 4.31 188 179 A 45 TYR HBx A 65 ARG H 1.0 . 4.54 189 180 A 63 TYR HBx A 65 ARG H 1.0 . 4.88 190 181 A 65 ARG H A 68 GLU HBx 1.0 . 4.04 191 181 A 65 ARG H A 68 GLU HBy 1.0 . 4.04 192 182 A 65 ARG H A 65 ARG HBy 1.0 . 3.82 193 183 A 65 ARG H A 65 ARG HGx 1.0 . 3.93 194 183 A 65 ARG H A 65 ARG HGy 1.0 . 3.93 195 184 A 65 ARG H A 65 ARG HBx 1.0 . 3.82 196 185 A 42 PHE HD% A 42 PHE HZ 1.0 . 3.81 197 186 A 60 THR HG2% A 42 PHE HZ 1.0 . 5.31 198 187 A 40 ALA HB% A 42 PHE HZ 1.0 . 4.13 199 188 A 48 MET HA A 30 TRP HD1 1.0 . 4.32 200 189 A 30 TRP HA A 30 TRP HD1 1.0 . 4.40 201 190 A 30 TRP HD1 A 32 GLU HA 1.0 . 4.70 202 191 A 30 TRP HD1 A 48 MET HGx 1.0 . 5.34 203 191 A 48 MET HGy A 30 TRP HD1 1.0 . 5.34 204 192 A 30 TRP HD1 A 48 MET HBx 1.0 . 4.71 205 193 A 30 TRP HD1 A 26 VAL HGx% 1.0 . 3.82 206 193 A 30 TRP HD1 A 26 VAL HGy% 1.0 . 3.82 207 194 A 39 LYS H A 40 ALA H 1.0 . 3.26 208 195 A 40 ALA H A 38 CYS HA 1.0 . 4.50 209 196 A 44 ARG HA A 44 ARG HE 1.0 . 4.19 210 197 A 44 ARG HE A 44 ARG HGy 1.0 . 3.70 211 198 A 71 ARG HA A 73 CYS H 1.0 . 5.50 212 199 A 72 ASN H A 73 CYS H 1.0 . 3.23 213 200 A 70 ALA HA A 73 CYS H 1.0 . 4.40 214 201 A 64 SER H A 63 TYR HD% 1.0 . 4.06 215 202 A 63 TYR HD% A 46 TYR HA 1.0 . 3.99 216 203 A 63 TYR HA A 63 TYR HD% 1.0 . 3.68 217 204 A 73 CYS H A 72 ASN HBy 1.0 . 3.66 218 205 A 63 TYR HD% A 68 GLU HGx 1.0 . 4.07 219 205 A 63 TYR HD% A 68 GLU HGy 1.0 . 4.07 220 206 A 63 TYR HD% A 68 GLU HBx 1.0 . 3.43 221 206 A 63 TYR HD% A 68 GLU HBy 1.0 . 3.43 222 207 A 47 CYS H A 63 TYR HD% 1.0 . 5.50 223 208 A 48 MET HA A 49 GLY H 1.0 . 3.28 224 209 A 47 CYS H A 46 TYR HD% 1.0 . 4.61 225 210 A 46 TYR H A 46 TYR HD% 1.0 . 3.50 226 211 A 55 TYR H A 46 TYR HD% 1.0 . 4.48 227 212 A 70 ALA H A 71 ARG H 1.0 . 3.61 228 213 A 72 ASN H A 71 ARG H 1.0 . 3.50 229 214 A 45 TYR HA A 46 TYR HD% 1.0 . 4.39 230 215 A 46 TYR HA A 46 TYR HD% 1.0 . 3.69 231 216 A 68 GLU HA A 71 ARG H 1.0 . 4.24 232 217 A 71 ARG H A 71 ARG HDx 1.0 . 5.41 233 217 A 71 ARG H A 71 ARG HDy 1.0 . 5.41 234 218 A 46 TYR HD% A 62 GLY HAx 1.0 . 4.67 235 219 A 46 TYR HD% A 62 GLY HAy 1.0 . 4.67 236 220 A 70 ALA H A 69 CYS H 1.0 . 3.31 237 221 A 67 GLY HAx A 69 CYS H 1.0 . 5.50 238 222 A 63 TYR HBy A 69 CYS H 1.0 . 4.15 239 223 A 69 CYS H A 68 GLU HGx 1.0 . 5.50 240 223 A 68 GLU HGy A 69 CYS H 1.0 . 5.50 241 224 A 69 CYS H A 68 GLU HBx 1.0 . 3.32 242 224 A 68 GLU HBy A 69 CYS H 1.0 . 3.32 243 225 A 70 ALA HB% A 69 CYS H 1.0 . 4.40 244 226 A 55 TYR HD% A 55 TYR H 1.0 . 3.57 245 227 A 55 TYR HD% A 56 GLU H 1.0 . 4.19 246 228 A 55 TYR HD% A 46 TYR HD% 1.0 . 3.80 247 229 A 55 TYR HD% A 59 TYR HE% 1.0 . 4.31 248 230 A 55 TYR HD% A 46 TYR HE% 1.0 . 4.45 249 231 A 55 TYR HD% A 54 VAL HA 1.0 . 3.93 250 232 A 55 TYR HD% A 55 TYR HA 1.0 . 3.53 251 233 A 46 TYR HBx A 55 TYR HD% 1.0 . 3.65 252 234 A 55 TYR HD% A 53 LYS HBx 1.0 . 4.09 253 234 A 55 TYR HD% A 53 LYS HBy 1.0 . 4.09 254 235 A 46 TYR HBy A 55 TYR HD% 1.0 . 4.90 255 236 A 46 TYR H A 45 TYR HD% 1.0 . 4.45 256 237 A 45 TYR HD% A 66 MET H 1.0 . 3.73 257 238 A 45 TYR HA A 45 TYR HD% 1.0 . 3.59 258 239 A 45 TYR HD% A 65 ARG HA 1.0 . 3.15 259 240 A 45 TYR HD% A 64 SER HA 1.0 . 4.28 260 241 A 54 VAL HA A 45 TYR HD% 1.0 . 3.62 261 242 A 45 TYR HD% A 43 THR HB 1.0 . 5.50 262 243 A 63 TYR HBy A 45 TYR HD% 1.0 . 5.50 263 244 A 45 TYR HD% A 65 ARG HBy 1.0 . 5.50 264 245 A 54 VAL HB A 45 TYR HD% 1.0 . 3.15 265 246 A 45 TYR HD% A 65 ARG HGx 1.0 . 4.47 266 246 A 45 TYR HD% A 65 ARG HGy 1.0 . 4.47 267 247 A 45 TYR HD% A 65 ARG HBx 1.0 . 5.50 268 248 A 43 THR HG2% A 45 TYR HD% 1.0 . 4.30 269 249 A 58 CYS H A 59 TYR HD% 1.0 . 3.95 270 250 A 45 TYR HD% A 54 VAL H 1.0 . 4.96 271 251 A 59 TYR HD% A 59 TYR HA 1.0 . 3.19 272 252 A 57 GLY H A 59 TYR HD% 1.0 . 3.71 273 253 A 60 THR H A 59 TYR HD% 1.0 . 4.31 274 254 A 56 GLU H A 59 TYR HD% 1.0 . 5.50 275 255 A 59 TYR HD% A 59 TYR H 1.0 . 3.67 276 256 A 59 TYR HD% A 46 TYR HE% 1.0 . 4.24 277 257 A 56 GLU HA A 59 TYR HD% 1.0 . 4.74 278 258 A 59 TYR HD% A 57 GLY HAy 1.0 . 4.59 279 259 A 59 TYR HD% A 57 GLY HAx 1.0 . 4.59 280 260 A 59 TYR HD% A 35 LYS HA 1.0 . 4.04 281 261 A 59 TYR HD% A 33 PRO HBy 1.0 . 5.09 282 262 A 59 TYR HD% A 55 TYR HBy 1.0 . 5.31 283 263 A 63 TYR HE% A 68 GLU HBx 1.0 . 5.50 284 263 A 68 GLU HBy A 63 TYR HE% 1.0 . 5.50 285 264 A 47 CYS H A 63 TYR HE% 1.0 . 4.55 286 265 A 46 TYR HA A 63 TYR HE% 1.0 . 5.35 287 266 A 69 CYS HA A 63 TYR HE% 1.0 . 3.80 288 267 A 72 ASN HBx A 63 TYR HE% 1.0 . 5.21 289 268 A 46 TYR H A 55 TYR HE% 1.0 . 5.50 290 269 A 46 TYR HD% A 55 TYR HE% 1.0 . 4.36 291 270 A 55 TYR HA A 55 TYR HE% 1.0 . 5.01 292 271 A 46 TYR HBx A 55 TYR HE% 1.0 . 3.60 293 272 A 55 TYR HE% A 48 MET HGx 1.0 . 3.92 294 272 A 48 MET HGy A 55 TYR HE% 1.0 . 3.92 295 273 A 55 TYR HE% A 48 MET HE% 1.0 . 3.95 296 274 A 55 TYR HE% A 53 LYS HBx 1.0 . 3.36 297 274 A 53 LYS HBy A 55 TYR HE% 1.0 . 3.36 298 275 A 55 TYR HE% A 53 LYS HGy 1.0 . 5.50 299 276 A 55 TYR HE% A 26 VAL HGx% 1.0 . 5.41 300 276 A 26 VAL HGy% A 55 TYR HE% 1.0 . 5.41 301 277 A 59 TYR HE% A 55 TYR HBy 1.0 . 5.02 302 278 A 59 TYR HE% A 34 VAL HB 1.0 . 5.50 303 279 A 58 CYS H A 59 TYR HE% 1.0 . 5.50 304 280 A 34 VAL H A 59 TYR HE% 1.0 . 5.50 305 281 A 36 GLY H A 59 TYR HE% 1.0 . 5.50 306 282 A 59 TYR HE% A 57 GLY HAx 1.0 . 4.14 307 283 A 56 GLU H A 59 TYR HE% 1.0 . 4.05 308 284 A 35 LYS H A 59 TYR HE% 1.0 . 4.29 309 285 A 59 TYR HE% A 57 GLY HAy 1.0 . 4.14 310 286 A 55 TYR HA A 59 TYR HE% 1.0 . 5.50 311 287 A 35 LYS HA A 59 TYR HE% 1.0 . 3.82 312 288 A 59 TYR HE% A 35 LYS HEx 1.0 . 4.30 313 288 A 59 TYR HE% A 35 LYS HEy 1.0 . 4.30 314 289 A 55 TYR HBx A 59 TYR HE% 1.0 . 3.93 315 290 A 59 TYR HE% A 35 LYS HDx 1.0 . 4.92 316 290 A 59 TYR HE% A 35 LYS HDy 1.0 . 4.92 317 291 A 59 TYR HE% A 35 LYS HBx 1.0 . 3.90 318 291 A 59 TYR HE% A 35 LYS HBy 1.0 . 3.90 319 292 A 59 TYR HE% A 35 LYS HGx 1.0 . 4.44 320 293 A 67 GLY H A 68 GLU H 1.0 . 3.68 321 294 A 70 ALA H A 68 GLU H 1.0 . 5.49 322 295 A 69 CYS H A 68 GLU H 1.0 . 3.93 323 296 A 68 GLU H A 68 GLU HGx 1.0 . 3.52 324 296 A 68 GLU HGy A 68 GLU H 1.0 . 3.52 325 297 A 68 GLU H A 68 GLU HBx 1.0 . 3.00 326 297 A 68 GLU HBy A 68 GLU H 1.0 . 3.00 327 298 A 68 GLU H A 65 ARG HBy 1.0 . 4.14 328 299 A 68 GLU H A 65 ARG HGx 1.0 . 4.68 329 299 A 65 ARG HGy A 68 GLU H 1.0 . 4.68 330 300 A 59 TYR HE% A 35 LYS HGy 1.0 . 4.44 331 301 A 63 TYR HBy A 68 GLU H 1.0 . 5.50 332 302 A 62 GLY H A 46 TYR HE% 1.0 . 4.16 333 303 A 61 GLY H A 46 TYR HE% 1.0 . 5.50 334 304 A 46 TYR HE% A 33 PRO HA 1.0 . 5.23 335 305 A 46 TYR HE% A 59 TYR HBy 1.0 . 3.92 336 306 A 46 TYR HE% A 59 TYR HBx 1.0 . 3.92 337 307 A 44 ARG HGy A 46 TYR HE% 1.0 . 4.21 338 308 A 44 ARG HGx A 46 TYR HE% 1.0 . 4.11 339 309 A 46 TYR HE% A 33 PRO HBy 1.0 . 4.33 340 310 A 46 TYR HE% A 33 PRO HBx 1.0 . 4.33 341 311 A 56 GLU HA A 43 THR HA 1.0 . 3.33 342 312 A 56 GLU HA A 56 GLU HGy 1.0 . 4.03 343 313 A 56 GLU HA A 56 GLU HGx 1.0 . 4.03 344 314 A 56 GLU HA A 43 THR HG2% 1.0 . 5.26 345 315 A 52 CYS HA A 47 CYS HA 1.0 . 3.51 346 316 A 73 CYS HA A 74 PRO HA 1.0 . 4.50 347 317 A 71 ARG HA A 71 ARG HGy 1.0 . 3.93 348 318 A 41 ARG HA A 42 PHE H 1.0 . 3.34 349 319 A 34 VAL H A 33 PRO HA 1.0 . 3.51 350 320 A 25 THR HB A 25 THR H 1.0 . 4.01 351 321 A 41 ARG HA A 40 ALA HA 1.0 . 5.00 352 322 A 28 ILE HA A 30 TRP H 1.0 . 4.63 353 323 A 28 ILE HA A 28 ILE HG2% 1.0 . 3.24 354 324 A 34 VAL HGx% A 34 VAL HA 1.0 . 3.21 355 325 A 26 VAL HA A 27 PRO HDy 1.0 . 3.35 356 326 A 26 VAL HGx% A 27 PRO HDy 1.0 . 3.92 357 326 A 26 VAL HGy% A 27 PRO HDy 1.0 . 3.92 358 327 A 59 TYR HA A 35 LYS HA 1.0 . 4.87 359 328 A 34 VAL HGx% A 35 LYS HA 1.0 . 4.80 360 329 A 67 GLY H A 67 GLY HAx 1.0 . 2.94 361 330 A 31 SER H A 31 SER HBx 1.0 . 3.87 362 331 A 52 CYS H A 52 CYS HBy 1.0 . 3.83 363 332 A 40 ALA H A 38 CYS HBy 1.0 . 4.60 364 333 A 44 ARG HGx A 59 TYR HBy 1.0 . 4.45 365 334 A 43 THR H A 42 PHE HBy 1.0 . 3.52 366 335 A 58 CYS H A 58 CYS HBy 1.0 . 3.70 367 336 A 43 THR H A 42 PHE HBx 1.0 . 3.52 368 337 A 36 GLY H A 58 CYS HBy 1.0 . 3.76 369 338 A 59 TYR H A 58 CYS HBy 1.0 . 4.52 370 339 A 40 ALA H A 38 CYS HBx 1.0 . 4.60 371 340 A 38 CYS H A 38 CYS HBx 1.0 . 3.74 372 341 A 65 ARG HA A 65 ARG HDy 1.0 . 4.86 373 342 A 65 ARG HA A 66 MET HA 1.0 . 5.03 374 343 A 45 TYR HD% A 66 MET HA 1.0 . 3.84 375 344 A 66 MET HA A 66 MET HGy 1.0 . 3.86 376 345 A 66 MET HA A 66 MET HGx 1.0 . 3.86 377 346 A 66 MET HA A 66 MET HE% 1.0 . 5.35 378 347 A 69 CYS H A 66 MET HA 1.0 . 4.15 379 348 A 32 GLU HA A 33 PRO HDy 1.0 . 3.23 380 349 A 47 CYS H A 47 CYS HBy 1.0 . 3.47 381 350 A 63 TYR HBy A 68 GLU HBx 1.0 . 3.39 382 350 A 63 TYR HBy A 68 GLU HBy 1.0 . 3.39 383 351 A 70 ALA H A 69 CYS HBy 1.0 . 4.24 384 352 A 44 ARG HA A 44 ARG HDy 1.0 . 3.89 385 353 A 65 ARG HA A 65 ARG HDx 1.0 . 4.86 386 354 A 63 TYR HBy A 68 GLU HGx 1.0 . 5.50 387 354 A 63 TYR HBy A 68 GLU HGy 1.0 . 5.50 388 355 A 41 ARG HDx A 56 GLU HBx 1.0 . 5.00 389 355 A 41 ARG HDy A 56 GLU HBx 1.0 . 5.00 390 355 A 56 GLU HBy A 41 ARG HDx 1.0 . 5.00 391 355 A 56 GLU HBy A 41 ARG HDy 1.0 . 5.00 392 356 A 41 ARG HA A 41 ARG HDx 1.0 . 4.86 393 356 A 41 ARG HA A 41 ARG HDy 1.0 . 4.86 394 357 A 71 ARG HA A 71 ARG HDx 1.0 . 5.13 395 357 A 71 ARG HA A 71 ARG HDy 1.0 . 5.13 396 358 A 68 GLU HA A 71 ARG HDx 1.0 . 3.63 397 358 A 68 GLU HA A 71 ARG HDy 1.0 . 3.63 398 359 A 44 ARG HA A 44 ARG HDx 1.0 . 3.89 399 360 A 31 SER H A 30 TRP HBx 1.0 . 4.19 400 361 A 24 CYS HBy A 51 CYS HBx 1.0 . 4.39 401 361 A 24 CYS HBx A 51 CYS HBx 1.0 . 4.39 402 362 A 26 VAL HGy% A 30 TRP HBx 1.0 . 3.61 403 362 A 26 VAL HGx% A 30 TRP HBx 1.0 . 3.61 404 363 A 72 ASN H A 72 ASN HBy 1.0 . 4.00 405 364 A 26 VAL HA A 27 PRO HDx 1.0 . 3.35 406 365 A 27 PRO HDx A 26 VAL HGx% 1.0 . 3.92 407 365 A 26 VAL HGy% A 27 PRO HDx 1.0 . 3.92 408 366 A 47 CYS H A 47 CYS HBx 1.0 . 3.47 409 367 A 32 GLU HA A 33 PRO HDx 1.0 . 3.23 410 368 A 48 MET HE% A 33 PRO HDx 1.0 . 4.22 411 369 A 24 CYS H A 24 CYS HBx 1.0 . 2.90 412 369 A 24 CYS H A 24 CYS HBy 1.0 . 2.90 413 370 A 24 CYS HA A 24 CYS HBx 1.0 . 2.95 414 370 A 24 CYS HBy A 24 CYS HA 1.0 . 2.95 415 371 A 23 GLU HA A 24 CYS HBx 1.0 . 4.38 416 371 A 24 CYS HBy A 23 GLU HA 1.0 . 4.38 417 372 A 51 CYS HBy A 24 CYS HBx 1.0 . 4.39 418 372 A 24 CYS HBy A 51 CYS HBy 1.0 . 4.39 419 373 A 46 TYR HBy A 48 MET HE% 1.0 . 5.13 420 374 A 46 TYR HBy A 46 TYR H 1.0 . 3.83 421 375 A 46 TYR HBy A 55 TYR HE% 1.0 . 4.64 422 376 A 58 CYS HBx A 40 ALA H 1.0 . 5.10 423 377 A 46 TYR HBx A 48 MET HE% 1.0 . 4.98 424 378 A 69 CYS HA A 72 ASN HBx 1.0 . 3.92 425 379 A 73 CYS H A 73 CYS HBy 1.0 . 3.81 426 380 A 70 ALA HA A 73 CYS HBy 1.0 . 4.14 427 381 A 73 CYS H A 73 CYS HBx 1.0 . 3.81 428 382 A 70 ALA HA A 73 CYS HBx 1.0 . 4.14 429 383 A 63 TYR HBx A 46 TYR HA 1.0 . 4.15 430 384 A 45 TYR HBy A 45 TYR H 1.0 . 4.17 431 385 A 63 TYR HBx A 69 CYS H 1.0 . 4.32 432 386 A 32 GLU H A 32 GLU HGy 1.0 . 3.88 433 387 A 44 ARG HGx A 59 TYR HBx 1.0 . 4.45 434 388 A 23 GLU H A 22 GLU HGx 1.0 . 4.79 435 388 A 23 GLU H A 22 GLU HGy 1.0 . 4.79 436 389 A 67 GLY H A 66 MET HGy 1.0 . 5.50 437 390 A 67 GLY H A 68 GLU HGx 1.0 . 5.50 438 390 A 67 GLY H A 68 GLU HGy 1.0 . 5.50 439 391 A 68 GLU HA A 68 GLU HGx 1.0 . 3.35 440 391 A 68 GLU HA A 68 GLU HGy 1.0 . 3.35 441 392 A 43 THR HA A 56 GLU HGy 1.0 . 5.50 442 393 A 54 VAL HGx% A 56 GLU HGy 1.0 . 4.46 443 394 A 43 THR HA A 56 GLU HGx 1.0 . 5.50 444 395 A 48 MET HA A 48 MET HGx 1.0 . 3.94 445 395 A 48 MET HA A 48 MET HGy 1.0 . 3.94 446 396 A 45 TYR HD% A 66 MET HE% 1.0 . 3.27 447 397 A 66 MET HE% A 53 LYS HA 1.0 . 4.94 448 398 A 66 MET HBx A 66 MET HE% 1.0 . 3.51 449 399 A 56 GLU H A 55 TYR HBy 1.0 . 5.17 450 400 A 55 TYR H A 55 TYR HBy 1.0 . 3.42 451 401 A 46 TYR HD% A 55 TYR HBy 1.0 . 3.77 452 402 A 46 TYR HE% A 55 TYR HBy 1.0 . 3.83 453 403 A 30 TRP HE3 A 48 MET HE% 1.0 . 5.50 454 404 A 30 TRP HD1 A 48 MET HE% 1.0 . 3.84 455 405 A 32 GLU HA A 48 MET HE% 1.0 . 3.80 456 406 A 48 MET HE% A 33 PRO HDy 1.0 . 4.22 457 407 A 48 MET HE% A 48 MET HGx 1.0 . 4.24 458 407 A 48 MET HGy A 48 MET HE% 1.0 . 4.24 459 408 A 48 MET HE% A 26 VAL HGx% 1.0 . 3.96 460 408 A 26 VAL HGy% A 48 MET HE% 1.0 . 3.96 461 409 A 26 VAL H A 26 VAL HB 1.0 . 3.93 462 410 A 56 GLU H A 56 GLU HBx 1.0 . 3.60 463 410 A 56 GLU HBy A 56 GLU H 1.0 . 3.60 464 411 A 43 THR HA A 56 GLU HBx 1.0 . 5.50 465 411 A 43 THR HA A 56 GLU HBy 1.0 . 5.50 466 412 A 55 TYR HA A 56 GLU HBx 1.0 . 4.55 467 412 A 56 GLU HBy A 55 TYR HA 1.0 . 4.55 468 413 A 54 VAL HGx% A 56 GLU HBx 1.0 . 5.27 469 413 A 56 GLU HBy A 54 VAL HGx% 1.0 . 5.27 470 414 A 35 LYS H A 34 VAL HB 1.0 . 4.09 471 415 A 34 VAL H A 34 VAL HB 1.0 . 3.32 472 416 A 34 VAL HB A 33 PRO HA 1.0 . 5.37 473 417 A 67 GLY H A 65 ARG HBy 1.0 . 4.31 474 418 A 66 MET H A 65 ARG HBy 1.0 . 4.42 475 419 A 29 GLY H A 28 ILE HB 1.0 . 4.25 476 420 A 28 ILE H A 28 ILE HB 1.0 . 2.99 477 421 A 54 VAL HB A 53 LYS HA 1.0 . 4.51 478 422 A 54 VAL HB A 54 VAL H 1.0 . 3.10 479 423 A 48 MET H A 48 MET HBx 1.0 . 4.01 480 424 A 30 TRP HE3 A 27 PRO HGy 1.0 . 4.51 481 425 A 48 MET HBx A 48 MET HGx 1.0 . 2.89 482 425 A 48 MET HGy A 48 MET HBx 1.0 . 2.89 483 426 A 45 TYR H A 44 ARG HGy 1.0 . 4.95 484 427 A 44 ARG H A 44 ARG HGy 1.0 . 3.82 485 428 A 44 ARG HA A 44 ARG HGy 1.0 . 3.33 486 429 A 42 PHE H A 41 ARG HBy 1.0 . 4.55 487 430 A 44 ARG HA A 44 ARG HGx 1.0 . 4.04 488 431 A 44 ARG HGx A 44 ARG HE 1.0 . 3.84 489 432 A 35 LYS HA A 35 LYS HDx 1.0 . 5.50 490 432 A 35 LYS HA A 35 LYS HDy 1.0 . 5.50 491 433 A 38 CYS H A 35 LYS HDx 1.0 . 4.57 492 433 A 38 CYS H A 35 LYS HDy 1.0 . 4.57 493 434 A 37 LEU HA A 35 LYS HDx 1.0 . 3.65 494 434 A 37 LEU HA A 35 LYS HDy 1.0 . 3.65 495 435 A 37 LEU HA A 37 LEU HG 1.0 . 4.01 496 436 A 71 ARG HA A 71 ARG HGx 1.0 . 3.93 497 437 A 28 ILE HA A 28 ILE HG1y 1.0 . 3.93 498 438 A 67 GLY H A 66 MET HBy 1.0 . 3.14 499 439 A 45 TYR HD% A 66 MET HBy 1.0 . 5.44 500 440 A 66 MET H A 65 ARG HGx 1.0 . 4.69 501 440 A 66 MET H A 65 ARG HGy 1.0 . 4.69 502 441 A 30 TRP HE3 A 27 PRO HGx 1.0 . 4.51 503 442 A 44 ARG H A 44 ARG HBy 1.0 . 4.11 504 443 A 37 LEU H A 37 LEU HBx 1.0 . 3.61 505 443 A 37 LEU H A 37 LEU HBy 1.0 . 3.61 506 444 A 35 LYS HBy A 35 LYS HEx 1.0 . 4.25 507 444 A 35 LYS HBx A 35 LYS HEx 1.0 . 4.25 508 444 A 35 LYS HEy A 35 LYS HBx 1.0 . 4.25 509 444 A 35 LYS HEy A 35 LYS HBy 1.0 . 4.25 510 445 A 36 GLY H A 35 LYS HBx 1.0 . 3.70 511 445 A 36 GLY H A 35 LYS HBy 1.0 . 3.70 512 446 A 44 ARG H A 44 ARG HBx 1.0 . 4.11 513 447 A 41 ARG H A 41 ARG HGy 1.0 . 4.02 514 448 A 41 ARG HA A 41 ARG HGy 1.0 . 3.85 515 449 A 67 GLY H A 65 ARG HBx 1.0 . 4.31 516 450 A 68 GLU H A 65 ARG HBx 1.0 . 4.14 517 451 A 39 LYS HA A 39 LYS HGy 1.0 . 4.02 518 452 A 37 LEU H A 35 LYS HGy 1.0 . 3.90 519 453 A 53 LYS HA A 53 LYS HGy 1.0 . 3.95 520 454 A 41 ARG H A 41 ARG HGx 1.0 . 4.02 521 455 A 41 ARG HA A 41 ARG HGx 1.0 . 3.85 522 456 A 39 LYS H A 39 LYS HGx 1.0 . 4.16 523 457 A 39 LYS HA A 39 LYS HGx 1.0 . 4.02 524 458 A 45 TYR HD% A 66 MET HBx 1.0 . 3.76 525 459 A 70 ALA HB% A 71 ARG H 1.0 . 3.57 526 460 A 28 ILE HA A 28 ILE HG1x 1.0 . 3.93 527 461 A 67 GLY HAx A 70 ALA HB% 1.0 . 3.11 528 462 A 53 LYS HA A 53 LYS HGx 1.0 . 3.95 529 463 A 55 TYR HE% A 53 LYS HGx 1.0 . 5.50 530 464 A 26 VAL H A 25 THR HG2% 1.0 . 3.93 531 465 A 25 THR HA A 25 THR HG2% 1.0 . 3.45 532 466 A 25 THR HG2% A 23 GLU HGx 1.0 . 5.25 533 466 A 23 GLU HGy A 25 THR HG2% 1.0 . 5.25 534 467 A 60 THR HG2% A 59 TYR HA 1.0 . 4.51 535 468 A 60 THR HG2% A 60 THR HA 1.0 . 4.10 536 469 A 43 THR HA A 43 THR HG2% 1.0 . 3.18 537 470 A 43 THR HG2% A 56 GLU HGy 1.0 . 4.10 538 471 A 43 THR HG2% A 56 GLU HGx 1.0 . 4.10 539 472 A 43 THR HG2% A 56 GLU HBx 1.0 . 4.42 540 472 A 56 GLU HBy A 43 THR HG2% 1.0 . 4.42 541 473 A 28 ILE HG2% A 29 GLY HAy 1.0 . 4.69 542 474 A 34 VAL HGy% A 34 VAL HA 1.0 . 3.51 543 475 A 28 ILE HG2% A 28 ILE H 1.0 . 3.48 544 476 A 28 ILE HG2% A 29 GLY HAx 1.0 . 4.69 545 477 A 34 VAL HGy% A 35 LYS HA 1.0 . 5.05 546 478 A 30 TRP H A 26 VAL HGx% 1.0 . 5.20 547 478 A 30 TRP H A 26 VAL HGy% 1.0 . 5.20 548 479 A 26 VAL H A 26 VAL HGx% 1.0 . 3.08 549 479 A 26 VAL H A 26 VAL HGy% 1.0 . 3.08 550 480 A 30 TRP HE3 A 26 VAL HGx% 1.0 . 4.75 551 480 A 30 TRP HE3 A 26 VAL HGy% 1.0 . 4.75 552 481 A 26 VAL HA A 26 VAL HGx% 1.0 . 2.80 553 481 A 26 VAL HGy% A 26 VAL HA 1.0 . 2.80 554 482 A 25 THR HB A 26 VAL HGx% 1.0 . 4.94 555 482 A 25 THR HB A 26 VAL HGy% 1.0 . 4.94 556 483 A 28 ILE HA A 28 ILE HD1% 1.0 . 4.17 557 484 A 26 VAL HGy% A 30 TRP HBy 1.0 . 3.61 558 484 A 30 TRP HBy A 26 VAL HGx% 1.0 . 3.61 559 485 A 26 VAL HGy% A 48 MET HGx 1.0 . 4.29 560 485 A 26 VAL HGx% A 48 MET HGx 1.0 . 4.29 561 485 A 48 MET HGy A 26 VAL HGx% 1.0 . 4.29 562 485 A 48 MET HGy A 26 VAL HGy% 1.0 . 4.29 563 486 A 48 MET HBx A 26 VAL HGx% 1.0 . 3.40 564 486 A 48 MET HBx A 26 VAL HGy% 1.0 . 3.40 565 487 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.71 566 488 A 25 THR HA A 26 VAL HGx% 1.0 . 3.97 567 488 A 25 THR HA A 26 VAL HGy% 1.0 . 3.97 568 489 A 37 LEU HA A 37 LEU HDx% 1.0 . 4.28 569 490 A 37 LEU H A 37 LEU HDx% 1.0 . 5.47 570 491 A 34 VAL HGx% A 33 PRO HA 1.0 . 4.62 571 492 A 35 LYS H A 34 VAL HGx% 1.0 . 3.94 572 493 A 37 LEU HA A 37 LEU HDy% 1.0 . 4.28 573 494 A 40 ALA HB% A 40 ALA H 1.0 . 3.06 574 495 A 40 ALA HB% A 58 CYS HA 1.0 . 4.95 575 496 A 54 VAL HGx% A 66 MET HE% 1.0 . 5.50 576 497 A 54 VAL HGx% A 44 ARG H 1.0 . 5.50 577 498 A 54 VAL HGx% A 45 TYR HD% 1.0 . 4.39 578 499 A 54 VAL HGx% A 53 LYS HA 1.0 . 4.52 579 500 A 54 VAL HA A 54 VAL HGx% 1.0 . 3.84 580 501 A 54 VAL HGx% A 55 TYR HA 1.0 . 5.24 581 502 A 54 VAL HGx% A 56 GLU HGx 1.0 . 4.46 582 503 A 43 THR HG2% A 54 VAL HGx% 1.0 . 4.06 583 504 A 54 VAL HGy% A 45 TYR HD% 1.0 . 3.35 584 505 A 45 TYR HA A 54 VAL HGy% 1.0 . 5.20 585 506 A 43 THR HA A 54 VAL HGy% 1.0 . 4.75 586 507 A 54 VAL HGy% A 53 LYS HA 1.0 . 5.50 587 508 A 54 VAL HA A 54 VAL HGy% 1.0 . 3.25 588 509 A 54 VAL HGy% A 55 TYR HA 1.0 . 5.50 589 510 A 54 VAL HGy% A 56 GLU HGy 1.0 . 4.73 590 511 A 54 VAL HGy% A 56 GLU HGx 1.0 . 4.73 591 512 A 54 VAL HGy% A 66 MET HE% 1.0 . 4.29 592 513 A 43 THR HG2% A 54 VAL HGy% 1.0 . 3.19 593 514 A 54 VAL HGy% A 43 THR HB 1.0 . 5.50 594 515 A 36 GLY H A 35 LYS HGy 1.0 . 4.57 595 516 A 25 THR H A 24 CYS HBx 1.0 . 4.84 596 516 A 25 THR H A 24 CYS HBy 1.0 . 4.84 597 517 A 42 PHE HE% A 58 CYS HBy 1.0 . 5.50 598 518 A 30 TRP HE3 A 30 TRP HBx 1.0 . 4.19 599 519 A 25 THR H A 25 THR HG2% 1.0 . 3.74 600 520 A 65 ARG HA A 65 ARG HGx 1.0 . 4.16 601 520 A 65 ARG HA A 65 ARG HGy 1.0 . 4.16 602 521 A 37 LEU H A 35 LYS HDx 1.0 . 3.98 603 521 A 37 LEU H A 35 LYS HDy 1.0 . 3.98 604 522 A 44 ARG H A 44 ARG HDx 1.0 . 5.50 605 523 A 44 ARG H A 44 ARG HDy 1.0 . 5.50 606 524 A 28 ILE H A 28 ILE HG1x 1.0 . 4.81 607 525 A 28 ILE H A 28 ILE HG1y 1.0 . 4.81 608 526 A 59 TYR HD% A 33 PRO HBx 1.0 . 5.09 609 527 A 45 TYR HBx A 63 TYR HBy 1.0 . 4.34 610 528 A 48 MET HBx A 48 MET HE% 1.0 . 3.63 611 529 A 48 MET HA A 48 MET HE% 1.0 . 4.55 612 530 A 72 ASN HBy A 63 TYR HE% 1.0 . 5.50 613 531 A 21 LYS H A 21 LYS HBy 1.0 . 3.54 614 531 A 21 LYS H A 21 LYS HBx 1.0 . 3.54 615 532 A 21 LYS H A 21 LYS HGy 1.0 . 4.79 616 532 A 21 LYS H A 21 LYS HGx 1.0 . 4.79 617 533 A 21 LYS HBx A 21 LYS HEx 1.0 . 4.90 618 533 A 21 LYS HEy A 21 LYS HBy 1.0 . 4.90 619 533 A 21 LYS HBx A 21 LYS HEy 1.0 . 4.90 620 533 A 21 LYS HBy A 21 LYS HEx 1.0 . 4.90 621 534 A 23 GLU H A 22 GLU HBy 1.0 . 4.19 622 534 A 23 GLU H A 22 GLU HBx 1.0 . 4.19 623 535 A 24 CYS H A 23 GLU HBy 1.0 . 3.34 624 535 A 24 CYS H A 23 GLU HBx 1.0 . 3.34 625 536 A 24 CYS HA A 23 GLU HBy 1.0 . 5.34 626 536 A 24 CYS HA A 23 GLU HBx 1.0 . 5.34 627 537 A 25 THR HG2% A 23 GLU HBy 1.0 . 4.09 628 537 A 25 THR HG2% A 23 GLU HBx 1.0 . 4.09 629 538 A 24 CYS HBy A 51 CYS HBx 1.0 . 3.78 630 538 A 24 CYS HBx A 51 CYS HBx 1.0 . 3.78 631 538 A 51 CYS HBy A 24 CYS HBx 1.0 . 3.78 632 538 A 24 CYS HBy A 51 CYS HBy 1.0 . 3.78 633 539 A 26 VAL H A 27 PRO HDy 1.0 . 5.13 634 539 A 26 VAL H A 27 PRO HDx 1.0 . 5.13 635 540 A 26 VAL HA A 27 PRO HDy 1.0 . 2.79 636 540 A 26 VAL HA A 27 PRO HDx 1.0 . 2.79 637 541 A 26 VAL HB A 27 PRO HDy 1.0 . 4.41 638 541 A 26 VAL HB A 27 PRO HDx 1.0 . 4.41 639 542 A 26 VAL HGx% A 27 PRO HDy 1.0 . 3.26 640 542 A 26 VAL HGy% A 27 PRO HDy 1.0 . 3.26 641 542 A 27 PRO HDx A 26 VAL HGx% 1.0 . 3.26 642 542 A 26 VAL HGy% A 27 PRO HDx 1.0 . 3.26 643 543 A 28 ILE H A 27 PRO HBx 1.0 . 3.74 644 543 A 28 ILE H A 27 PRO HBy 1.0 . 3.74 645 544 A 30 TRP H A 27 PRO HGy 1.0 . 4.65 646 544 A 30 TRP H A 27 PRO HGx 1.0 . 4.65 647 545 A 27 PRO HGx A 30 TRP HBx 1.0 . 3.58 648 545 A 27 PRO HGy A 30 TRP HBx 1.0 . 3.58 649 545 A 30 TRP HBy A 27 PRO HGy 1.0 . 3.58 650 545 A 27 PRO HGx A 30 TRP HBy 1.0 . 3.58 651 546 A 30 TRP HE3 A 27 PRO HGy 1.0 . 3.78 652 546 A 30 TRP HE3 A 27 PRO HGx 1.0 . 3.78 653 547 A 30 TRP HZ3 A 27 PRO HGy 1.0 . 5.28 654 547 A 27 PRO HGx A 30 TRP HZ3 1.0 . 5.28 655 548 A 30 TRP HE3 A 27 PRO HDy 1.0 . 4.84 656 548 A 30 TRP HE3 A 27 PRO HDx 1.0 . 4.84 657 549 A 28 ILE H A 28 ILE HG1x 1.0 . 4.18 658 549 A 28 ILE H A 28 ILE HG1y 1.0 . 4.18 659 550 A 28 ILE HA A 28 ILE HG1x 1.0 . 3.44 660 550 A 28 ILE HA A 28 ILE HG1y 1.0 . 3.44 661 551 A 28 ILE HG2% A 28 ILE HG1x 1.0 . 3.06 662 551 A 28 ILE HG2% A 28 ILE HG1y 1.0 . 3.06 663 552 A 28 ILE HG2% A 29 GLY HAy 1.0 . 3.84 664 552 A 28 ILE HG2% A 29 GLY HAx 1.0 . 3.84 665 553 A 28 ILE HG1x A 29 GLY HAy 1.0 . 3.84 666 553 A 28 ILE HG1y A 29 GLY HAy 1.0 . 3.84 667 553 A 29 GLY HAx A 28 ILE HG1x 1.0 . 3.84 668 553 A 28 ILE HG1y A 29 GLY HAx 1.0 . 3.84 669 554 A 29 GLY H A 30 TRP HBx 1.0 . 5.34 670 554 A 29 GLY H A 30 TRP HBy 1.0 . 5.34 671 555 A 30 TRP HE3 A 30 TRP HBx 1.0 . 3.40 672 555 A 30 TRP HE3 A 30 TRP HBy 1.0 . 3.40 673 556 A 48 MET HE% A 30 TRP HBx 1.0 . 4.43 674 556 A 48 MET HE% A 30 TRP HBy 1.0 . 4.43 675 557 A 30 TRP HD1 A 33 PRO HDy 1.0 . 5.15 676 557 A 30 TRP HD1 A 33 PRO HDx 1.0 . 5.15 677 558 A 31 SER H A 31 SER HBy 1.0 . 3.24 678 558 A 31 SER H A 31 SER HBx 1.0 . 3.24 679 559 A 32 GLU H A 32 GLU HBy 1.0 . 3.22 680 559 A 32 GLU H A 32 GLU HBx 1.0 . 3.22 681 560 A 32 GLU H A 32 GLU HGy 1.0 . 3.29 682 560 A 32 GLU H A 32 GLU HGx 1.0 . 3.29 683 561 A 32 GLU HA A 33 PRO HDy 1.0 . 2.74 684 561 A 32 GLU HA A 33 PRO HDx 1.0 . 2.74 685 562 A 32 GLU HBy A 33 PRO HDy 1.0 . 3.11 686 562 A 32 GLU HBx A 33 PRO HDy 1.0 . 3.11 687 562 A 33 PRO HDx A 32 GLU HBy 1.0 . 3.11 688 562 A 33 PRO HDx A 32 GLU HBx 1.0 . 3.11 689 563 A 48 MET HE% A 32 GLU HBy 1.0 . 3.41 690 563 A 48 MET HE% A 32 GLU HBx 1.0 . 3.41 691 564 A 55 TYR HE% A 32 GLU HBy 1.0 . 4.64 692 564 A 55 TYR HE% A 32 GLU HBx 1.0 . 4.64 693 565 A 48 MET HE% A 32 GLU HGy 1.0 . 4.03 694 565 A 48 MET HE% A 32 GLU HGx 1.0 . 4.03 695 566 A 34 VAL H A 33 PRO HBy 1.0 . 3.16 696 566 A 34 VAL H A 33 PRO HBx 1.0 . 3.16 697 567 A 46 TYR HD% A 33 PRO HBy 1.0 . 4.49 698 567 A 46 TYR HD% A 33 PRO HBx 1.0 . 4.49 699 568 A 46 TYR HE% A 33 PRO HBy 1.0 . 3.69 700 568 A 46 TYR HE% A 33 PRO HBx 1.0 . 3.69 701 569 A 55 TYR HD% A 33 PRO HBy 1.0 . 5.34 702 569 A 55 TYR HD% A 33 PRO HBx 1.0 . 5.34 703 570 A 55 TYR HE% A 33 PRO HBy 1.0 . 5.34 704 570 A 55 TYR HE% A 33 PRO HBx 1.0 . 5.34 705 571 A 59 TYR HD% A 33 PRO HBy 1.0 . 4.23 706 571 A 59 TYR HD% A 33 PRO HBx 1.0 . 4.23 707 572 A 59 TYR HE% A 33 PRO HBy 1.0 . 3.17 708 572 A 59 TYR HE% A 33 PRO HBx 1.0 . 3.17 709 573 A 46 TYR HD% A 33 PRO HGy 1.0 . 3.91 710 573 A 46 TYR HD% A 33 PRO HGx 1.0 . 3.91 711 574 A 46 TYR HE% A 33 PRO HGy 1.0 . 5.35 712 574 A 46 TYR HE% A 33 PRO HGx 1.0 . 5.35 713 575 A 55 TYR HD% A 33 PRO HGy 1.0 . 4.69 714 575 A 55 TYR HD% A 33 PRO HGx 1.0 . 4.69 715 576 A 55 TYR HE% A 33 PRO HGy 1.0 . 3.98 716 576 A 55 TYR HE% A 33 PRO HGx 1.0 . 3.98 717 577 A 59 TYR HE% A 33 PRO HGy 1.0 . 4.07 718 577 A 59 TYR HE% A 33 PRO HGx 1.0 . 4.07 719 578 A 46 TYR HBx A 33 PRO HDy 1.0 . 4.55 720 578 A 46 TYR HBx A 33 PRO HDx 1.0 . 4.55 721 579 A 48 MET HE% A 33 PRO HDy 1.0 . 3.46 722 579 A 48 MET HE% A 33 PRO HDx 1.0 . 3.46 723 580 A 55 TYR HD% A 33 PRO HDy 1.0 . 5.21 724 580 A 55 TYR HD% A 33 PRO HDx 1.0 . 5.21 725 581 A 55 TYR HE% A 33 PRO HDy 1.0 . 3.84 726 581 A 55 TYR HE% A 33 PRO HDx 1.0 . 3.84 727 582 A 35 LYS HA A 35 LYS HGx 1.0 . 3.22 728 582 A 35 LYS HA A 35 LYS HGy 1.0 . 3.22 729 583 A 35 LYS HA A 37 LEU HDy% 1.0 . 4.70 730 583 A 35 LYS HA A 37 LEU HDx% 1.0 . 4.70 731 584 A 35 LYS HBx A 35 LYS HGx 1.0 . 2.43 732 584 A 35 LYS HBy A 35 LYS HGx 1.0 . 2.43 733 584 A 35 LYS HGy A 35 LYS HBx 1.0 . 2.43 734 584 A 35 LYS HBy A 35 LYS HGy 1.0 . 2.43 735 585 A 35 LYS HBy A 57 GLY HAy 1.0 . 5.34 736 585 A 35 LYS HBx A 57 GLY HAy 1.0 . 5.34 737 585 A 57 GLY HAx A 35 LYS HBx 1.0 . 5.34 738 585 A 35 LYS HBy A 57 GLY HAx 1.0 . 5.34 739 586 A 35 LYS HEy A 35 LYS HGx 1.0 . 3.62 740 586 A 35 LYS HGy A 35 LYS HEx 1.0 . 3.62 741 586 A 35 LYS HEy A 35 LYS HGy 1.0 . 3.62 742 586 A 35 LYS HEx A 35 LYS HGx 1.0 . 3.62 743 587 A 36 GLY H A 35 LYS HGx 1.0 . 3.80 744 587 A 36 GLY H A 35 LYS HGy 1.0 . 3.80 745 588 A 37 LEU H A 35 LYS HGx 1.0 . 3.17 746 588 A 37 LEU H A 35 LYS HGy 1.0 . 3.17 747 589 A 35 LYS HGy A 37 LEU HDy% 1.0 . 3.83 748 589 A 35 LYS HGx A 37 LEU HDy% 1.0 . 3.83 749 589 A 37 LEU HDx% A 35 LYS HGx 1.0 . 3.83 750 589 A 35 LYS HGy A 37 LEU HDx% 1.0 . 3.83 751 590 A 59 TYR HE% A 35 LYS HGx 1.0 . 3.85 752 590 A 59 TYR HE% A 35 LYS HGy 1.0 . 3.85 753 591 A 35 LYS HDx A 37 LEU HDy% 1.0 . 3.57 754 591 A 35 LYS HDy A 37 LEU HDy% 1.0 . 3.57 755 591 A 37 LEU HDx% A 35 LYS HDx 1.0 . 3.57 756 591 A 35 LYS HDy A 37 LEU HDx% 1.0 . 3.57 757 592 A 35 LYS HEx A 37 LEU HDy% 1.0 . 3.95 758 592 A 35 LYS HEy A 37 LEU HDy% 1.0 . 3.95 759 592 A 37 LEU HDx% A 35 LYS HEx 1.0 . 3.95 760 592 A 35 LYS HEy A 37 LEU HDx% 1.0 . 3.95 761 593 A 36 GLY H A 37 LEU HDy% 1.0 . 4.26 762 593 A 36 GLY H A 37 LEU HDx% 1.0 . 4.26 763 594 A 38 CYS H A 36 GLY HAx 1.0 . 4.34 764 594 A 38 CYS H A 36 GLY HAy 1.0 . 4.34 765 595 A 37 LEU H A 37 LEU HDy% 1.0 . 3.95 766 595 A 37 LEU H A 37 LEU HDx% 1.0 . 3.95 767 596 A 37 LEU HA A 37 LEU HDy% 1.0 . 3.50 768 596 A 37 LEU HA A 37 LEU HDx% 1.0 . 3.50 769 597 A 38 CYS H A 38 CYS HBx 1.0 . 3.02 770 597 A 38 CYS H A 38 CYS HBy 1.0 . 3.02 771 598 A 39 LYS H A 38 CYS HBx 1.0 . 2.92 772 598 A 39 LYS H A 38 CYS HBy 1.0 . 2.92 773 599 A 40 ALA H A 38 CYS HBx 1.0 . 3.79 774 599 A 40 ALA H A 38 CYS HBy 1.0 . 3.79 775 600 A 40 ALA HB% A 38 CYS HBx 1.0 . 4.09 776 600 A 40 ALA HB% A 38 CYS HBy 1.0 . 4.09 777 601 A 58 CYS HBx A 38 CYS HBx 1.0 . 4.13 778 601 A 58 CYS HBx A 38 CYS HBy 1.0 . 4.13 779 602 A 39 LYS H A 39 LYS HBx 1.0 . 3.53 780 602 A 39 LYS H A 39 LYS HBy 1.0 . 3.53 781 603 A 39 LYS H A 39 LYS HGx 1.0 . 3.55 782 603 A 39 LYS H A 39 LYS HGy 1.0 . 3.55 783 604 A 39 LYS HA A 39 LYS HGx 1.0 . 3.45 784 604 A 39 LYS HA A 39 LYS HGy 1.0 . 3.45 785 605 A 40 ALA HA A 41 ARG HBx 1.0 . 5.34 786 605 A 40 ALA HA A 41 ARG HBy 1.0 . 5.34 787 606 A 40 ALA HA A 41 ARG HGy 1.0 . 4.31 788 606 A 40 ALA HA A 41 ARG HGx 1.0 . 4.31 789 607 A 41 ARG H A 41 ARG HBx 1.0 . 3.34 790 607 A 41 ARG H A 41 ARG HBy 1.0 . 3.34 791 608 A 41 ARG HA A 57 GLY HAy 1.0 . 5.15 792 608 A 41 ARG HA A 57 GLY HAx 1.0 . 5.15 793 609 A 41 ARG HBx A 41 ARG HDx 1.0 . 3.66 794 609 A 41 ARG HBy A 41 ARG HDx 1.0 . 3.66 795 609 A 41 ARG HDy A 41 ARG HBx 1.0 . 3.66 796 609 A 41 ARG HDy A 41 ARG HBy 1.0 . 3.66 797 610 A 41 ARG HE A 41 ARG HBx 1.0 . 3.78 798 610 A 41 ARG HBy A 41 ARG HE 1.0 . 3.78 799 611 A 42 PHE H A 41 ARG HBx 1.0 . 3.72 800 611 A 42 PHE H A 41 ARG HBy 1.0 . 3.72 801 612 A 41 ARG HBy A 57 GLY HAy 1.0 . 4.76 802 612 A 57 GLY HAx A 41 ARG HBx 1.0 . 4.76 803 612 A 57 GLY HAx A 41 ARG HBy 1.0 . 4.76 804 612 A 41 ARG HBx A 57 GLY HAy 1.0 . 4.76 805 613 A 41 ARG HGx A 57 GLY HAy 1.0 . 5.18 806 613 A 41 ARG HGy A 57 GLY HAy 1.0 . 5.18 807 613 A 57 GLY HAx A 41 ARG HGy 1.0 . 5.18 808 613 A 57 GLY HAx A 41 ARG HGx 1.0 . 5.18 809 614 A 59 TYR H A 42 PHE HBx 1.0 . 4.05 810 614 A 59 TYR H A 42 PHE HBy 1.0 . 4.05 811 615 A 43 THR HA A 56 GLU HGy 1.0 . 4.73 812 615 A 43 THR HA A 56 GLU HGx 1.0 . 4.73 813 616 A 43 THR HG2% A 56 GLU HGy 1.0 . 3.56 814 616 A 43 THR HG2% A 56 GLU HGx 1.0 . 3.56 815 617 A 44 ARG H A 44 ARG HBx 1.0 . 3.54 816 617 A 44 ARG H A 44 ARG HBy 1.0 . 3.54 817 618 A 44 ARG H A 44 ARG HDx 1.0 . 4.85 818 618 A 44 ARG H A 44 ARG HDy 1.0 . 4.85 819 619 A 44 ARG HA A 44 ARG HDx 1.0 . 3.20 820 619 A 44 ARG HA A 44 ARG HDy 1.0 . 3.20 821 620 A 44 ARG HGx A 44 ARG HBx 1.0 . 2.43 822 620 A 44 ARG HGx A 44 ARG HBy 1.0 . 2.43 823 621 A 44 ARG HE A 44 ARG HBx 1.0 . 3.64 824 621 A 44 ARG HE A 44 ARG HBy 1.0 . 3.64 825 622 A 45 TYR H A 44 ARG HBx 1.0 . 3.97 826 622 A 45 TYR H A 44 ARG HBy 1.0 . 3.97 827 623 A 46 TYR HD% A 44 ARG HBx 1.0 . 3.89 828 623 A 46 TYR HD% A 44 ARG HBy 1.0 . 3.89 829 624 A 46 TYR HE% A 44 ARG HBx 1.0 . 3.25 830 624 A 46 TYR HE% A 44 ARG HBy 1.0 . 3.25 831 625 A 44 ARG HBx A 59 TYR HBy 1.0 . 4.13 832 625 A 44 ARG HBy A 59 TYR HBy 1.0 . 4.13 833 625 A 59 TYR HBx A 44 ARG HBx 1.0 . 4.13 834 625 A 44 ARG HBy A 59 TYR HBx 1.0 . 4.13 835 626 A 44 ARG HGx A 59 TYR HBy 1.0 . 3.79 836 626 A 44 ARG HGx A 59 TYR HBx 1.0 . 3.79 837 627 A 45 TYR HD% A 44 ARG HDx 1.0 . 5.34 838 627 A 45 TYR HD% A 44 ARG HDy 1.0 . 5.34 839 628 A 64 SER HA A 44 ARG HDx 1.0 . 3.99 840 628 A 64 SER HA A 44 ARG HDy 1.0 . 3.99 841 629 A 46 TYR HA A 62 GLY HAy 1.0 . 4.45 842 629 A 46 TYR HA A 62 GLY HAx 1.0 . 4.45 843 630 A 46 TYR HD% A 62 GLY HAy 1.0 . 4.10 844 630 A 46 TYR HD% A 62 GLY HAx 1.0 . 4.10 845 631 A 46 TYR HE% A 59 TYR HBy 1.0 . 3.18 846 631 A 46 TYR HE% A 59 TYR HBx 1.0 . 3.18 847 632 A 46 TYR HE% A 61 GLY HAx 1.0 . 3.59 848 632 A 46 TYR HE% A 61 GLY HAy 1.0 . 3.59 849 633 A 46 TYR HE% A 62 GLY HAy 1.0 . 5.17 850 633 A 46 TYR HE% A 62 GLY HAx 1.0 . 5.17 851 634 A 47 CYS H A 47 CYS HBx 1.0 . 2.99 852 634 A 47 CYS H A 47 CYS HBy 1.0 . 2.99 853 635 A 63 TYR HE% A 47 CYS HBx 1.0 . 5.34 854 635 A 63 TYR HE% A 47 CYS HBy 1.0 . 5.34 855 636 A 69 CYS HA A 47 CYS HBx 1.0 . 5.34 856 636 A 69 CYS HA A 47 CYS HBy 1.0 . 5.34 857 637 A 73 CYS HA A 47 CYS HBx 1.0 . 5.34 858 637 A 73 CYS HA A 47 CYS HBy 1.0 . 5.34 859 638 A 47 CYS HBy A 73 CYS HBx 1.0 . 5.18 860 638 A 47 CYS HBx A 73 CYS HBx 1.0 . 5.18 861 638 A 73 CYS HBy A 47 CYS HBx 1.0 . 5.18 862 638 A 47 CYS HBy A 73 CYS HBy 1.0 . 5.18 863 639 A 48 MET HA A 49 GLY HAx 1.0 . 4.62 864 639 A 48 MET HA A 49 GLY HAy 1.0 . 4.62 865 640 A 50 ASN H A 49 GLY HAx 1.0 . 2.93 866 640 A 50 ASN H A 49 GLY HAy 1.0 . 2.93 867 641 A 51 CYS H A 49 GLY HAx 1.0 . 4.99 868 641 A 51 CYS H A 49 GLY HAy 1.0 . 4.99 869 642 A 50 ASN H A 50 ASN HBx 1.0 . 3.49 870 642 A 50 ASN H A 50 ASN HBy 1.0 . 3.49 871 643 A 50 ASN H A 51 CYS HBx 1.0 . 5.34 872 643 A 50 ASN H A 51 CYS HBy 1.0 . 5.34 873 644 A 50 ASN HA A 74 PRO HBy 1.0 . 4.77 874 644 A 50 ASN HA A 74 PRO HBx 1.0 . 4.77 875 645 A 50 ASN HA A 74 PRO HDy 1.0 . 3.76 876 645 A 50 ASN HA A 74 PRO HDx 1.0 . 3.76 877 646 A 50 ASN HBx A 50 ASN HD2x 1.0 . 3.02 878 646 A 50 ASN HBy A 50 ASN HD2x 1.0 . 3.02 879 646 A 50 ASN HD2y A 50 ASN HBx 1.0 . 3.02 880 646 A 50 ASN HBy A 50 ASN HD2y 1.0 . 3.02 881 647 A 51 CYS H A 50 ASN HBx 1.0 . 4.47 882 647 A 51 CYS H A 50 ASN HBy 1.0 . 4.47 883 648 A 50 ASN HBx A 74 PRO HDy 1.0 . 4.19 884 648 A 50 ASN HBy A 74 PRO HDy 1.0 . 4.19 885 648 A 74 PRO HDx A 50 ASN HBx 1.0 . 4.19 886 648 A 50 ASN HBy A 74 PRO HDx 1.0 . 4.19 887 649 A 52 CYS H A 51 CYS HBx 1.0 . 3.45 888 649 A 52 CYS H A 51 CYS HBy 1.0 . 3.45 889 650 A 52 CYS H A 52 CYS HBx 1.0 . 2.97 890 650 A 52 CYS H A 52 CYS HBy 1.0 . 2.97 891 651 A 53 LYS H A 52 CYS HBx 1.0 . 4.26 892 651 A 53 LYS H A 52 CYS HBy 1.0 . 4.26 893 652 A 53 LYS H A 53 LYS HGx 1.0 . 5.24 894 652 A 53 LYS H A 53 LYS HGy 1.0 . 5.24 895 653 A 53 LYS HA A 53 LYS HGx 1.0 . 3.27 896 653 A 53 LYS HA A 53 LYS HGy 1.0 . 3.27 897 654 A 53 LYS HA A 53 LYS HDy 1.0 . 4.28 898 654 A 53 LYS HA A 53 LYS HDx 1.0 . 4.28 899 655 A 53 LYS HBx A 53 LYS HEy 1.0 . 5.34 900 655 A 53 LYS HEx A 53 LYS HBx 1.0 . 5.34 901 655 A 53 LYS HBy A 53 LYS HEx 1.0 . 5.34 902 655 A 53 LYS HBy A 53 LYS HEy 1.0 . 5.34 903 656 A 53 LYS HEx A 53 LYS HGx 1.0 . 3.16 904 656 A 53 LYS HEy A 53 LYS HGx 1.0 . 3.16 905 656 A 53 LYS HGy A 53 LYS HEy 1.0 . 3.16 906 656 A 53 LYS HGy A 53 LYS HEx 1.0 . 3.16 907 657 A 53 LYS HZ% A 53 LYS HGx 1.0 . 4.65 908 657 A 53 LYS HGy A 53 LYS HZ% 1.0 . 4.65 909 658 A 54 VAL H A 53 LYS HGx 1.0 . 3.49 910 658 A 54 VAL H A 53 LYS HGy 1.0 . 3.49 911 659 A 55 TYR HD% A 53 LYS HGx 1.0 . 5.34 912 659 A 55 TYR HD% A 53 LYS HGy 1.0 . 5.34 913 660 A 55 TYR HE% A 53 LYS HDy 1.0 . 3.68 914 660 A 55 TYR HE% A 53 LYS HDx 1.0 . 3.68 915 661 A 55 TYR HE% A 53 LYS HEy 1.0 . 5.17 916 661 A 55 TYR HE% A 53 LYS HEx 1.0 . 5.17 917 662 A 54 VAL HGx% A 56 GLU HGy 1.0 . 3.88 918 662 A 54 VAL HGx% A 56 GLU HGx 1.0 . 3.88 919 663 A 54 VAL HGy% A 56 GLU HGy 1.0 . 3.92 920 663 A 54 VAL HGy% A 56 GLU HGx 1.0 . 3.92 921 664 A 56 GLU H A 56 GLU HGy 1.0 . 4.47 922 664 A 56 GLU H A 56 GLU HGx 1.0 . 4.47 923 665 A 56 GLU HA A 56 GLU HGy 1.0 . 3.47 924 665 A 56 GLU HA A 56 GLU HGx 1.0 . 3.47 925 666 A 58 CYS H A 57 GLY HAy 1.0 . 2.89 926 666 A 58 CYS H A 57 GLY HAx 1.0 . 2.89 927 667 A 59 TYR HD% A 57 GLY HAy 1.0 . 3.85 928 667 A 59 TYR HD% A 57 GLY HAx 1.0 . 3.85 929 668 A 59 TYR HE% A 57 GLY HAy 1.0 . 3.61 930 668 A 59 TYR HE% A 57 GLY HAx 1.0 . 3.61 931 669 A 59 TYR H A 59 TYR HBy 1.0 . 3.21 932 669 A 59 TYR H A 59 TYR HBx 1.0 . 3.21 933 670 A 60 THR H A 59 TYR HBy 1.0 . 3.84 934 670 A 60 THR H A 59 TYR HBx 1.0 . 3.84 935 671 A 61 GLY H A 59 TYR HBy 1.0 . 4.62 936 671 A 61 GLY H A 59 TYR HBx 1.0 . 4.62 937 672 A 63 TYR HBx A 69 CYS HBx 1.0 . 3.92 938 672 A 63 TYR HBx A 69 CYS HBy 1.0 . 3.92 939 673 A 63 TYR HE% A 69 CYS HBx 1.0 . 5.15 940 673 A 63 TYR HE% A 69 CYS HBy 1.0 . 5.15 941 674 A 64 SER H A 64 SER HBy 1.0 . 3.20 942 674 A 64 SER H A 64 SER HBx 1.0 . 3.20 943 675 A 64 SER HBy A 65 ARG HGx 1.0 . 5.34 944 675 A 64 SER HBx A 65 ARG HGx 1.0 . 5.34 945 675 A 65 ARG HGy A 64 SER HBy 1.0 . 5.34 946 675 A 65 ARG HGy A 64 SER HBx 1.0 . 5.34 947 676 A 65 ARG H A 65 ARG HBx 1.0 . 3.07 948 676 A 65 ARG H A 65 ARG HBy 1.0 . 3.07 949 677 A 65 ARG HA A 65 ARG HDx 1.0 . 4.16 950 677 A 65 ARG HA A 65 ARG HDy 1.0 . 4.16 951 678 A 65 ARG HBy A 65 ARG HDx 1.0 . 3.16 952 678 A 65 ARG HBx A 65 ARG HDx 1.0 . 3.16 953 678 A 65 ARG HDy A 65 ARG HBx 1.0 . 3.16 954 678 A 65 ARG HBy A 65 ARG HDy 1.0 . 3.16 955 679 A 65 ARG HE A 65 ARG HBx 1.0 . 4.40 956 679 A 65 ARG HBy A 65 ARG HE 1.0 . 4.40 957 680 A 66 MET H A 65 ARG HBx 1.0 . 3.57 958 680 A 66 MET H A 65 ARG HBy 1.0 . 3.57 959 681 A 67 GLY H A 65 ARG HBx 1.0 . 3.51 960 681 A 67 GLY H A 65 ARG HBy 1.0 . 3.51 961 682 A 68 GLU H A 65 ARG HBx 1.0 . 3.51 962 682 A 68 GLU H A 65 ARG HBy 1.0 . 3.51 963 683 A 68 GLU HA A 65 ARG HBx 1.0 . 5.15 964 683 A 68 GLU HA A 65 ARG HBy 1.0 . 5.15 965 684 A 65 ARG HBy A 68 GLU HGx 1.0 . 3.55 966 684 A 65 ARG HBx A 68 GLU HGx 1.0 . 3.55 967 684 A 68 GLU HGy A 65 ARG HBx 1.0 . 3.55 968 684 A 68 GLU HGy A 65 ARG HBy 1.0 . 3.55 969 685 A 67 GLY H A 65 ARG HDx 1.0 . 4.29 970 685 A 67 GLY H A 65 ARG HDy 1.0 . 4.29 971 686 A 68 GLU H A 65 ARG HDx 1.0 . 5.34 972 686 A 68 GLU H A 65 ARG HDy 1.0 . 5.34 973 687 A 65 ARG HDx A 68 GLU HGx 1.0 . 5.34 974 687 A 65 ARG HDy A 68 GLU HGx 1.0 . 5.34 975 687 A 68 GLU HGy A 65 ARG HDx 1.0 . 5.34 976 687 A 68 GLU HGy A 65 ARG HDy 1.0 . 5.34 977 688 A 66 MET H A 66 MET HGx 1.0 . 4.79 978 688 A 66 MET H A 66 MET HGy 1.0 . 4.79 979 689 A 66 MET HA A 66 MET HGx 1.0 . 3.30 980 689 A 66 MET HA A 66 MET HGy 1.0 . 3.30 981 690 A 67 GLY H A 66 MET HGx 1.0 . 4.83 982 690 A 67 GLY H A 66 MET HGy 1.0 . 4.83 983 691 A 67 GLY HAx A 66 MET HGx 1.0 . 5.34 984 691 A 67 GLY HAx A 66 MET HGy 1.0 . 5.34 985 692 A 68 GLU HA A 71 ARG HBx 1.0 . 4.64 986 692 A 68 GLU HA A 71 ARG HBy 1.0 . 4.64 987 693 A 68 GLU HA A 71 ARG HGx 1.0 . 3.57 988 693 A 68 GLU HA A 71 ARG HGy 1.0 . 3.57 989 694 A 69 CYS H A 69 CYS HBx 1.0 . 3.26 990 694 A 69 CYS H A 69 CYS HBy 1.0 . 3.26 991 695 A 70 ALA H A 69 CYS HBx 1.0 . 3.63 992 695 A 70 ALA H A 69 CYS HBy 1.0 . 3.63 993 696 A 70 ALA HA A 73 CYS HBx 1.0 . 3.54 994 696 A 70 ALA HA A 73 CYS HBy 1.0 . 3.54 995 697 A 71 ARG H A 71 ARG HBx 1.0 . 2.92 996 697 A 71 ARG H A 71 ARG HBy 1.0 . 2.92 997 698 A 71 ARG H A 71 ARG HGx 1.0 . 3.33 998 698 A 71 ARG H A 71 ARG HGy 1.0 . 3.33 999 699 A 71 ARG HA A 71 ARG HGx 1.0 . 3.41 1000 699 A 71 ARG HA A 71 ARG HGy 1.0 . 3.41 1001 700 A 72 ASN H A 71 ARG HBx 1.0 . 4.16 1002 700 A 72 ASN H A 71 ARG HBy 1.0 . 4.16 1003 701 A 71 ARG HBx A 72 ASN HD2x 1.0 . 4.76 1004 701 A 72 ASN HD2y A 71 ARG HBx 1.0 . 4.76 1005 701 A 71 ARG HBy A 72 ASN HD2y 1.0 . 4.76 1006 701 A 71 ARG HBy A 72 ASN HD2x 1.0 . 4.76 1007 702 A 71 ARG HE A 71 ARG HGx 1.0 . 3.61 1008 702 A 71 ARG HGy A 71 ARG HE 1.0 . 3.61 1009 703 A 71 ARG HGy A 72 ASN HD2x 1.0 . 4.44 1010 703 A 71 ARG HGx A 72 ASN HD2x 1.0 . 4.44 1011 703 A 72 ASN HD2y A 71 ARG HGx 1.0 . 4.44 1012 703 A 71 ARG HGy A 72 ASN HD2y 1.0 . 4.44 1013 704 A 72 ASN H A 72 ASN HD2x 1.0 . 4.20 1014 704 A 72 ASN H A 72 ASN HD2y 1.0 . 4.20 1015 705 A 72 ASN H A 73 CYS HBx 1.0 . 5.14 1016 705 A 72 ASN H A 73 CYS HBy 1.0 . 5.14 1017 706 A 72 ASN HBx A 72 ASN HD2x 1.0 . 3.55 1018 706 A 72 ASN HBx A 72 ASN HD2y 1.0 . 3.55 1019 707 A 73 CYS H A 73 CYS HBx 1.0 . 3.25 1020 707 A 73 CYS H A 73 CYS HBy 1.0 . 3.25 1021 708 A 73 CYS HBx A 74 PRO HDy 1.0 . 3.85 1022 708 A 73 CYS HBy A 74 PRO HDy 1.0 . 3.85 1023 708 A 74 PRO HDx A 73 CYS HBx 1.0 . 3.85 1024 708 A 73 CYS HBy A 74 PRO HDx 1.0 . 3.85 1025 709 A 75 GLY H A 74 PRO HBy 1.0 . 3.76 1026 709 A 75 GLY H A 74 PRO HBx 1.0 . 3.76 1027 710 A 75 GLY H A 74 PRO HGy 1.0 . 3.56 1028 710 A 75 GLY H A 74 PRO HGx 1.0 . 3.56 1029 711 A 75 GLY H A 74 PRO HDy 1.0 . 4.29 1030 711 A 75 GLY H A 74 PRO HDx 1.0 . 4.29 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 disulfide_bond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 CYS SG A 51 CYS SG 1.0 . 2.1 2 2 A 24 CYS SG A 51 CYS CB 1.0 . 3.1 3 3 A 51 CYS SG A 24 CYS CB 1.0 . 3.1 4 4 A 38 CYS SG A 58 CYS SG 1.0 . 2.1 5 5 A 38 CYS SG A 58 CYS CB 1.0 . 3.1 6 6 A 58 CYS SG A 38 CYS CB 1.0 . 3.1 7 7 A 47 CYS SG A 73 CYS SG 1.0 . 2.1 8 8 A 47 CYS SG A 73 CYS CB 1.0 . 3.1 9 9 A 73 CYS SG A 47 CYS CB 1.0 . 3.1 10 10 A 52 CYS SG A 69 CYS SG 1.0 . 2.1 11 11 A 52 CYS SG A 69 CYS CB 1.0 . 3.1 12 12 A 69 CYS SG A 52 CYS CB 1.0 . 3.1 stop_ save_