data_c25764_2n6h ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25764_2n6h _Entry.Title ; NMR structure for a 2-stranded parallel beta-sheet ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-20 _Entry.Accession_date 2015-08-20 _Entry.Last_release_date 2015-10-26 _Entry.Original_release_date 2015-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vanessa Kung . M. . c25764_2n6h 2 Gabriel Cornilescu . . . c25764_2n6h stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Enzyme Function Initiative' 'not applicable' . c25764_2n6h stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PEPTIDE . c25764_2n6h stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25764_2n6h stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 120 c25764_2n6h stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-10-26 . original BMRB . c25764_2n6h stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25765 'Complex with CHOLIC ACID' c25764_2n6h PDB 2N6H 'BMRB Entry Tracking System' c25764_2n6h stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25764_2n6h _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26457984 _Citation.Full_citation . _Citation.Title ; Impact of Strand Number on Parallel beta-Sheet Stability ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vanessa Kung . M. . c25764_2n6h 1 2 Gabriel Cornilescu . . . c25764_2n6h 1 3 Samuel Gellman . H. . c25764_2n6h 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25764_2n6h _Assembly.ID 1 _Assembly.Name '2-stranded parallel beta-sheet' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . c25764_2n6h 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c25764_2n6h _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XERFYEKXXVQKFIRX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details (ACE)ERFYEK(4G6)(DPR)VQKFIR(ACE) _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ACE . c25764_2n6h 1 2 1 GLU . c25764_2n6h 1 3 2 ARG . c25764_2n6h 1 4 3 PHE . c25764_2n6h 1 5 4 TYR . c25764_2n6h 1 6 5 GLU . c25764_2n6h 1 7 6 LYS . c25764_2n6h 1 8 7 4G6 . c25764_2n6h 1 9 8 DPR . c25764_2n6h 1 10 9 VAL . c25764_2n6h 1 11 10 GLN . c25764_2n6h 1 12 11 LYS . c25764_2n6h 1 13 12 PHE . c25764_2n6h 1 14 13 ILE . c25764_2n6h 1 15 14 ARG . c25764_2n6h 1 16 15 ACE . c25764_2n6h 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ACE 1 1 c25764_2n6h 1 . GLU 2 2 c25764_2n6h 1 . ARG 3 3 c25764_2n6h 1 . PHE 4 4 c25764_2n6h 1 . TYR 5 5 c25764_2n6h 1 . GLU 6 6 c25764_2n6h 1 . LYS 7 7 c25764_2n6h 1 . 4G6 8 8 c25764_2n6h 1 . DPR 9 9 c25764_2n6h 1 . VAL 10 10 c25764_2n6h 1 . GLN 11 11 c25764_2n6h 1 . LYS 12 12 c25764_2n6h 1 . PHE 13 13 c25764_2n6h 1 . ILE 14 14 c25764_2n6h 1 . ARG 15 15 c25764_2n6h 1 . ACE 16 16 c25764_2n6h 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c25764_2n6h _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . c25764_2n6h 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c25764_2n6h _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c25764_2n6h 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c25764_2n6h _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 c25764_2n6h ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c25764_2n6h ACE CC=O SMILES_CANONICAL CACTVS 3.341 c25764_2n6h ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25764_2n6h ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c25764_2n6h ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c25764_2n6h ACE O=CC SMILES ACDLabs 10.04 c25764_2n6h ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 c25764_2n6h ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25764_2n6h ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . c25764_2n6h ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c25764_2n6h ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c25764_2n6h ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c25764_2n6h ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c25764_2n6h ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c25764_2n6h ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c25764_2n6h ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . c25764_2n6h ACE 2 . SING C CH3 no N 2 . c25764_2n6h ACE 3 . SING C H no N 3 . c25764_2n6h ACE 4 . SING CH3 H1 no N 4 . c25764_2n6h ACE 5 . SING CH3 H2 no N 5 . c25764_2n6h ACE 6 . SING CH3 H3 no N 6 . c25764_2n6h ACE stop_ save_ save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c25764_2n6h _Chem_comp.ID DPR _Chem_comp.Provenance PDB _Chem_comp.Name D-PROLINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DPR _Chem_comp.PDB_code DPR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code P _Chem_comp.Three_letter_code DPR _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 8 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O2' _Chem_comp.Formula_weight 115.130 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1CC(NC1)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 c25764_2n6h DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c25764_2n6h DPR InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 InChI InChI 1.03 c25764_2n6h DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c25764_2n6h DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c25764_2n6h DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c25764_2n6h DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c25764_2n6h DPR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-pyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c25764_2n6h DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c25764_2n6h DPR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -4.206 . 7.451 . -17.843 . 0.814 0.974 0.670 1 . c25764_2n6h DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c25764_2n6h DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c25764_2n6h DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c25764_2n6h DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c25764_2n6h DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c25764_2n6h DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c25764_2n6h DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c25764_2n6h DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c25764_2n6h DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c25764_2n6h DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c25764_2n6h DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c25764_2n6h DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c25764_2n6h DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c25764_2n6h DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c25764_2n6h DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c25764_2n6h DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c25764_2n6h DPR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c25764_2n6h DPR 2 . SING N CD no N 2 . c25764_2n6h DPR 3 . SING N H no N 3 . c25764_2n6h DPR 4 . SING CA CB no N 4 . c25764_2n6h DPR 5 . SING CA C no N 5 . c25764_2n6h DPR 6 . SING CA HA no N 6 . c25764_2n6h DPR 7 . SING CB CG no N 7 . c25764_2n6h DPR 8 . SING CB HB2 no N 8 . c25764_2n6h DPR 9 . SING CB HB3 no N 9 . c25764_2n6h DPR 10 . SING CG CD no N 10 . c25764_2n6h DPR 11 . SING CG HG2 no N 11 . c25764_2n6h DPR 12 . SING CG HG3 no N 12 . c25764_2n6h DPR 13 . SING CD HD2 no N 13 . c25764_2n6h DPR 14 . SING CD HD3 no N 14 . c25764_2n6h DPR 15 . DOUB C O no N 15 . c25764_2n6h DPR 16 . SING C OXT no N 16 . c25764_2n6h DPR 17 . SING OXT HXT no N 17 . c25764_2n6h DPR stop_ save_ save_chem_comp_4G6 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4G6 _Chem_comp.Entry_ID c25764_2n6h _Chem_comp.ID 4G6 _Chem_comp.Provenance PDB _Chem_comp.Name 2-methylpropane-1,2-diamine _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 4G6 _Chem_comp.PDB_code 4G6 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2015-08-05 _Chem_comp.Modified_date 2015-08-05 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 4G6 _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 6 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H12 N2' _Chem_comp.Formula_weight 88.151 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2N4N _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(CN)N SMILES 'OpenEye OEToolkits' 1.7.6 c25764_2n6h 4G6 CC(C)(CN)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c25764_2n6h 4G6 CC(C)(N)CN SMILES ACDLabs 12.01 c25764_2n6h 4G6 CC(C)(N)CN SMILES CACTVS 3.385 c25764_2n6h 4G6 CC(C)(N)CN SMILES_CANONICAL CACTVS 3.385 c25764_2n6h 4G6 InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 InChI InChI 1.03 c25764_2n6h 4G6 OPCJOXGBLDJWRM-UHFFFAOYSA-N InChIKey InChI 1.03 c25764_2n6h 4G6 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-methylpropane-1,2-diamine 'SYSTEMATIC NAME' ACDLabs 12.01 c25764_2n6h 4G6 2-methylpropane-1,2-diamine 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c25764_2n6h 4G6 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 31.302 . 8.361 . 4.609 . -0.424 1.533 0.034 1 . c25764_2n6h 4G6 CAF CAF CAF CAF . C . . N 0 . . . 1 no no . . . . 30.522 . 7.293 . 3.840 . -0.439 0.004 -0.005 2 . c25764_2n6h 4G6 CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 29.440 . 6.715 . 4.754 . -1.691 -0.512 0.707 3 . c25764_2n6h 4G6 NAD NAD NAD NAD . N . . N 0 . . . 1 no no . . . . 31.435 . 6.244 . 3.358 . -0.449 -0.450 -1.403 4 . c25764_2n6h 4G6 CAE CAE CAE CAE . C . . N 0 . . . 1 no no . . . . 29.827 . 7.957 . 2.650 . 0.807 -0.537 0.698 5 . c25764_2n6h 4G6 NAC NAC NAC NAC . N . . N 0 . . . 1 no no . . . . 29.283 . 6.937 . 1.742 . 2.009 -0.042 0.014 6 . c25764_2n6h 4G6 HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . 31.808 . 7.898 . 5.469 . -0.416 1.870 1.071 7 . c25764_2n6h 4G6 HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 32.051 . 8.817 . 3.945 . 0.468 1.901 -0.474 8 . c25764_2n6h 4G6 HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 30.608 . 9.136 . 4.966 . -1.311 1.919 -0.467 9 . c25764_2n6h 4G6 HAF HAF HAF HAF . H . . N 0 . . . 1 no no . . . . 29.912 . 6.230 . 5.621 . -2.579 -0.126 0.206 10 . c25764_2n6h 4G6 HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 28.782 . 7.525 . 5.101 . -1.702 -1.601 0.679 11 . c25764_2n6h 4G6 HAE HAE HAE HAE . H . . N 0 . . . 1 no no . . . . 28.847 . 5.974 . 4.197 . -1.684 -0.175 1.744 12 . c25764_2n6h 4G6 HAL HAL HAL HAL . H . . N 0 . . . 1 no no . . . . 31.888 . 5.812 . 4.138 . 0.334 -0.069 -1.912 13 . c25764_2n6h 4G6 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 30.915 . 5.556 . 2.852 . -0.459 -1.457 -1.456 14 . c25764_2n6h 4G6 HAH HAH HAH HAH . H . . N 0 . . . 1 no no . . . . 30.554 . 8.577 . 2.105 . 0.815 -0.200 1.734 15 . c25764_2n6h 4G6 HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . 29.006 . 8.591 . 3.017 . 0.796 -1.627 0.670 16 . c25764_2n6h 4G6 HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . 28.832 . 7.384 . 0.970 . 2.011 0.966 -0.031 17 . c25764_2n6h 4G6 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 30.027 . 6.360 . 1.405 . 2.847 -0.386 0.460 18 . c25764_2n6h 4G6 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING NAC CAE no N 1 . c25764_2n6h 4G6 2 . SING CAE CAF no N 2 . c25764_2n6h 4G6 3 . SING NAD CAF no N 3 . c25764_2n6h 4G6 4 . SING CAF CAA no N 4 . c25764_2n6h 4G6 5 . SING CAF CAB no N 5 . c25764_2n6h 4G6 6 . SING CAA HAC no N 6 . c25764_2n6h 4G6 7 . SING CAA HAB no N 7 . c25764_2n6h 4G6 8 . SING CAA HAA no N 8 . c25764_2n6h 4G6 9 . SING CAB HAF no N 9 . c25764_2n6h 4G6 10 . SING CAB HAD no N 10 . c25764_2n6h 4G6 11 . SING CAB HAE no N 11 . c25764_2n6h 4G6 12 . SING NAD HAL no N 12 . c25764_2n6h 4G6 13 . SING NAD H1 no N 13 . c25764_2n6h 4G6 14 . SING CAE HAH no N 14 . c25764_2n6h 4G6 15 . SING CAE HAG no N 15 . c25764_2n6h 4G6 16 . SING NAC HAI no N 16 . c25764_2n6h 4G6 17 . SING NAC H3 no N 17 . c25764_2n6h 4G6 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25764_2n6h _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . c25764_2n6h 1 2 'acetic acid' 'natural abundance' . . . . . . 2.5 . . mM . . . . c25764_2n6h 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c25764_2n6h _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.8 . pH c25764_2n6h 1 pressure 1 . atm c25764_2n6h 1 temperature 273 . K c25764_2n6h 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID c25764_2n6h _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c25764_2n6h 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c25764_2n6h 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_INOVA_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_INOVA_600_MHz _NMR_spectrometer.Entry_ID c25764_2n6h _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c25764_2n6h _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Varian_INOVA_600_MHz Varian INOVA . 600 . . . c25764_2n6h 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c25764_2n6h _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25764_2n6h 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25764_2n6h 1 3 '2D 1H-1H ROESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25764_2n6h 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c25764_2n6h _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c25764_2n6h 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c25764_2n6h _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H COSY' . . . c25764_2n6h 1 2 '2D 1H-1H TOCSY' . . . c25764_2n6h 1 3 '2D 1H-1H ROESY' . . . c25764_2n6h 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU H H 1 8.411 . . 1 . . . A 1 GLU H . c25764_2n6h 1 2 . 1 1 2 2 GLU HA H 1 4.136 . . 1 . . . A 1 GLU HA . c25764_2n6h 1 3 . 1 1 2 2 GLU HB2 H 1 1.912 . . 2 . . . A 1 GLU HB2 . c25764_2n6h 1 4 . 1 1 2 2 GLU HB3 H 1 1.912 . . 2 . . . A 1 GLU HB3 . c25764_2n6h 1 5 . 1 1 2 2 GLU HG2 H 1 2.364 . . 2 . . . A 1 GLU HG2 . c25764_2n6h 1 6 . 1 1 2 2 GLU HG3 H 1 2.276 . . 2 . . . A 1 GLU HG3 . c25764_2n6h 1 7 . 1 1 3 3 ARG H H 1 8.402 . . 1 . . . A 2 ARG H . c25764_2n6h 1 8 . 1 1 3 3 ARG HA H 1 4.258 . . 1 . . . A 2 ARG HA . c25764_2n6h 1 9 . 1 1 3 3 ARG HB2 H 1 1.620 . . 2 . . . A 2 ARG HB2 . c25764_2n6h 1 10 . 1 1 3 3 ARG HB3 H 1 1.564 . . 2 . . . A 2 ARG HB3 . c25764_2n6h 1 11 . 1 1 3 3 ARG HG2 H 1 1.395 . . 2 . . . A 2 ARG HG2 . c25764_2n6h 1 12 . 1 1 3 3 ARG HG3 H 1 1.395 . . 2 . . . A 2 ARG HG3 . c25764_2n6h 1 13 . 1 1 3 3 ARG HD2 H 1 3.067 . . 2 . . . A 2 ARG HD2 . c25764_2n6h 1 14 . 1 1 3 3 ARG HD3 H 1 3.067 . . 2 . . . A 2 ARG HD3 . c25764_2n6h 1 15 . 1 1 3 3 ARG HE H 1 7.137 . . 1 . . . A 2 ARG HE . c25764_2n6h 1 16 . 1 1 4 4 PHE H H 1 8.284 . . 1 . . . A 3 PHE H . c25764_2n6h 1 17 . 1 1 4 4 PHE HA H 1 4.573 . . 1 . . . A 3 PHE HA . c25764_2n6h 1 18 . 1 1 4 4 PHE HB2 H 1 3.012 . . 2 . . . A 3 PHE HB2 . c25764_2n6h 1 19 . 1 1 4 4 PHE HB3 H 1 2.849 . . 2 . . . A 3 PHE HB3 . c25764_2n6h 1 20 . 1 1 4 4 PHE HD1 H 1 7.002 . . 3 . . . A 3 PHE HD1 . c25764_2n6h 1 21 . 1 1 4 4 PHE HD2 H 1 7.002 . . 3 . . . A 3 PHE HD2 . c25764_2n6h 1 22 . 1 1 4 4 PHE HE1 H 1 7.554 . . 3 . . . A 3 PHE HE1 . c25764_2n6h 1 23 . 1 1 4 4 PHE HE2 H 1 7.554 . . 3 . . . A 3 PHE HE2 . c25764_2n6h 1 24 . 1 1 4 4 PHE HZ H 1 7.280 . . 1 . . . A 3 PHE HZ . c25764_2n6h 1 25 . 1 1 5 5 TYR H H 1 8.190 . . 1 . . . A 4 TYR H . c25764_2n6h 1 26 . 1 1 5 5 TYR HA H 1 4.708 . . 1 . . . A 4 TYR HA . c25764_2n6h 1 27 . 1 1 5 5 TYR HB2 H 1 2.964 . . 2 . . . A 4 TYR HB2 . c25764_2n6h 1 28 . 1 1 5 5 TYR HB3 H 1 2.863 . . 2 . . . A 4 TYR HB3 . c25764_2n6h 1 29 . 1 1 5 5 TYR HD1 H 1 7.048 . . 3 . . . A 4 TYR HD1 . c25764_2n6h 1 30 . 1 1 5 5 TYR HD2 H 1 7.048 . . 3 . . . A 4 TYR HD2 . c25764_2n6h 1 31 . 1 1 5 5 TYR HE1 H 1 6.764 . . 3 . . . A 4 TYR HE1 . c25764_2n6h 1 32 . 1 1 5 5 TYR HE2 H 1 6.764 . . 3 . . . A 4 TYR HE2 . c25764_2n6h 1 33 . 1 1 6 6 GLU H H 1 8.405 . . 1 . . . A 5 GLU H . c25764_2n6h 1 34 . 1 1 6 6 GLU HA H 1 4.400 . . 1 . . . A 5 GLU HA . c25764_2n6h 1 35 . 1 1 6 6 GLU HB2 H 1 2.047 . . 2 . . . A 5 GLU HB2 . c25764_2n6h 1 36 . 1 1 6 6 GLU HB3 H 1 2.047 . . 2 . . . A 5 GLU HB3 . c25764_2n6h 1 37 . 1 1 6 6 GLU HG2 H 1 2.357 . . 2 . . . A 5 GLU HG2 . c25764_2n6h 1 38 . 1 1 6 6 GLU HG3 H 1 2.357 . . 2 . . . A 5 GLU HG3 . c25764_2n6h 1 39 . 1 1 7 7 LYS H H 1 8.487 . . 1 . . . A 6 LYS H . c25764_2n6h 1 40 . 1 1 7 7 LYS HA H 1 4.450 . . 1 . . . A 6 LYS HA . c25764_2n6h 1 41 . 1 1 7 7 LYS HB2 H 1 1.825 . . 2 . . . A 6 LYS HB2 . c25764_2n6h 1 42 . 1 1 7 7 LYS HB3 H 1 1.816 . . 2 . . . A 6 LYS HB3 . c25764_2n6h 1 43 . 1 1 7 7 LYS HG2 H 1 1.525 . . 2 . . . A 6 LYS HG2 . c25764_2n6h 1 44 . 1 1 7 7 LYS HG3 H 1 1.429 . . 2 . . . A 6 LYS HG3 . c25764_2n6h 1 45 . 1 1 7 7 LYS HD2 H 1 1.709 . . 2 . . . A 6 LYS HD2 . c25764_2n6h 1 46 . 1 1 7 7 LYS HD3 H 1 1.709 . . 2 . . . A 6 LYS HD3 . c25764_2n6h 1 47 . 1 1 7 7 LYS HE2 H 1 2.989 . . 2 . . . A 6 LYS HE2 . c25764_2n6h 1 48 . 1 1 7 7 LYS HE3 H 1 2.989 . . 2 . . . A 6 LYS HE3 . c25764_2n6h 1 49 . 1 1 7 7 LYS HZ1 H 1 7.624 . . 1 . . . A 6 LYS HZ1 . c25764_2n6h 1 50 . 1 1 7 7 LYS HZ2 H 1 7.624 . . 1 . . . A 6 LYS HZ2 . c25764_2n6h 1 51 . 1 1 7 7 LYS HZ3 H 1 7.624 . . 1 . . . A 6 LYS HZ3 . c25764_2n6h 1 52 . 1 1 8 8 4G6 HAA H 1 1.175 . . 1 . . . A 7 4G6 HAA . c25764_2n6h 1 53 . 1 1 8 8 4G6 HAD H 1 1.282 . . 1 . . . A 7 4G6 HAD . c25764_2n6h 1 54 . 1 1 8 8 4G6 HAG H 1 3.499 . . 1 . . . A 7 4G6 HAG . c25764_2n6h 1 55 . 1 1 8 8 4G6 HAH H 1 3.542 . . 1 . . . A 7 4G6 HAH . c25764_2n6h 1 56 . 1 1 8 8 4G6 HAI H 1 8.022 . . 1 . . . A 7 4G6 HAI . c25764_2n6h 1 57 . 1 1 9 9 DPR HA H 1 4.277 . . 1 . . . A 8 DPR HA . c25764_2n6h 1 58 . 1 1 9 9 DPR HB2 H 1 2.241 . . 2 . . . A 8 DPR HB2 . c25764_2n6h 1 59 . 1 1 9 9 DPR HB3 H 1 1.915 . . 2 . . . A 8 DPR HB3 . c25764_2n6h 1 60 . 1 1 9 9 DPR HD2 H 1 3.792 . . 2 . . . A 8 DPR HD2 . c25764_2n6h 1 61 . 1 1 9 9 DPR HD3 H 1 3.792 . . 2 . . . A 8 DPR HD3 . c25764_2n6h 1 62 . 1 1 9 9 DPR HG2 H 1 0.925 . . 2 . . . A 8 DPR HG2 . c25764_2n6h 1 63 . 1 1 9 9 DPR HG3 H 1 0.925 . . 2 . . . A 8 DPR HG3 . c25764_2n6h 1 64 . 1 1 10 10 VAL H H 1 8.625 . . 1 . . . A 9 VAL H . c25764_2n6h 1 65 . 1 1 10 10 VAL HA H 1 4.526 . . 1 . . . A 9 VAL HA . c25764_2n6h 1 66 . 1 1 10 10 VAL HB H 1 2.024 . . 1 . . . A 9 VAL HB . c25764_2n6h 1 67 . 1 1 10 10 VAL HG11 H 1 0.941 . . 1 . . . A 9 VAL HG11 . c25764_2n6h 1 68 . 1 1 10 10 VAL HG12 H 1 0.941 . . 1 . . . A 9 VAL HG12 . c25764_2n6h 1 69 . 1 1 10 10 VAL HG13 H 1 0.941 . . 1 . . . A 9 VAL HG13 . c25764_2n6h 1 70 . 1 1 10 10 VAL HG21 H 1 0.941 . . 1 . . . A 9 VAL HG21 . c25764_2n6h 1 71 . 1 1 10 10 VAL HG22 H 1 0.941 . . 1 . . . A 9 VAL HG22 . c25764_2n6h 1 72 . 1 1 10 10 VAL HG23 H 1 0.941 . . 1 . . . A 9 VAL HG23 . c25764_2n6h 1 73 . 1 1 11 11 GLN H H 1 8.609 . . 1 . . . A 10 GLN H . c25764_2n6h 1 74 . 1 1 11 11 GLN HA H 1 4.474 . . 1 . . . A 10 GLN HA . c25764_2n6h 1 75 . 1 1 11 11 GLN HB2 H 1 1.974 . . 2 . . . A 10 GLN HB2 . c25764_2n6h 1 76 . 1 1 11 11 GLN HB3 H 1 1.974 . . 2 . . . A 10 GLN HB3 . c25764_2n6h 1 77 . 1 1 11 11 GLN HG2 H 1 2.253 . . 2 . . . A 10 GLN HG2 . c25764_2n6h 1 78 . 1 1 11 11 GLN HG3 H 1 2.253 . . 2 . . . A 10 GLN HG3 . c25764_2n6h 1 79 . 1 1 12 12 LYS H H 1 8.350 . . 1 . . . A 11 LYS H . c25764_2n6h 1 80 . 1 1 12 12 LYS HA H 1 4.315 . . 1 . . . A 11 LYS HA . c25764_2n6h 1 81 . 1 1 12 12 LYS HB2 H 1 1.733 . . 2 . . . A 11 LYS HB2 . c25764_2n6h 1 82 . 1 1 12 12 LYS HB3 H 1 1.733 . . 2 . . . A 11 LYS HB3 . c25764_2n6h 1 83 . 1 1 12 12 LYS HG2 H 1 1.356 . . 2 . . . A 11 LYS HG2 . c25764_2n6h 1 84 . 1 1 12 12 LYS HG3 H 1 1.356 . . 2 . . . A 11 LYS HG3 . c25764_2n6h 1 85 . 1 1 12 12 LYS HD2 H 1 1.650 . . 2 . . . A 11 LYS HD2 . c25764_2n6h 1 86 . 1 1 12 12 LYS HD3 H 1 1.650 . . 2 . . . A 11 LYS HD3 . c25764_2n6h 1 87 . 1 1 12 12 LYS HE2 H 1 2.959 . . 2 . . . A 11 LYS HE2 . c25764_2n6h 1 88 . 1 1 12 12 LYS HE3 H 1 2.959 . . 2 . . . A 11 LYS HE3 . c25764_2n6h 1 89 . 1 1 12 12 LYS HZ1 H 1 7.621 . . 1 . . . A 11 LYS HZ1 . c25764_2n6h 1 90 . 1 1 12 12 LYS HZ2 H 1 7.621 . . 1 . . . A 11 LYS HZ2 . c25764_2n6h 1 91 . 1 1 12 12 LYS HZ3 H 1 7.621 . . 1 . . . A 11 LYS HZ3 . c25764_2n6h 1 92 . 1 1 13 13 PHE H H 1 8.588 . . 1 . . . A 12 PHE H . c25764_2n6h 1 93 . 1 1 13 13 PHE HA H 1 4.678 . . 1 . . . A 12 PHE HA . c25764_2n6h 1 94 . 1 1 13 13 PHE HB2 H 1 2.988 . . 2 . . . A 12 PHE HB2 . c25764_2n6h 1 95 . 1 1 13 13 PHE HB3 H 1 2.925 . . 2 . . . A 12 PHE HB3 . c25764_2n6h 1 96 . 1 1 13 13 PHE HD1 H 1 7.168 . . 3 . . . A 12 PHE HD1 . c25764_2n6h 1 97 . 1 1 13 13 PHE HD2 H 1 7.168 . . 3 . . . A 12 PHE HD2 . c25764_2n6h 1 98 . 1 1 13 13 PHE HE1 H 1 7.282 . . 3 . . . A 12 PHE HE1 . c25764_2n6h 1 99 . 1 1 13 13 PHE HE2 H 1 7.282 . . 3 . . . A 12 PHE HE2 . c25764_2n6h 1 100 . 1 1 13 13 PHE HZ H 1 7.268 . . 1 . . . A 12 PHE HZ . c25764_2n6h 1 101 . 1 1 14 14 ILE H H 1 8.276 . . 1 . . . A 13 ILE H . c25764_2n6h 1 102 . 1 1 14 14 ILE HA H 1 4.162 . . 1 . . . A 13 ILE HA . c25764_2n6h 1 103 . 1 1 14 14 ILE HB H 1 1.756 . . 1 . . . A 13 ILE HB . c25764_2n6h 1 104 . 1 1 14 14 ILE HG12 H 1 1.414 . . 2 . . . A 13 ILE HG12 . c25764_2n6h 1 105 . 1 1 14 14 ILE HG13 H 1 0.818 . . 2 . . . A 13 ILE HG13 . c25764_2n6h 1 106 . 1 1 14 14 ILE HG21 H 1 0.631 . . 1 . . . A 13 ILE HG21 . c25764_2n6h 1 107 . 1 1 14 14 ILE HG22 H 1 0.631 . . 1 . . . A 13 ILE HG22 . c25764_2n6h 1 108 . 1 1 14 14 ILE HG23 H 1 0.631 . . 1 . . . A 13 ILE HG23 . c25764_2n6h 1 109 . 1 1 14 14 ILE HD11 H 1 1.137 . . 1 . . . A 13 ILE HD11 . c25764_2n6h 1 110 . 1 1 14 14 ILE HD12 H 1 1.137 . . 1 . . . A 13 ILE HD12 . c25764_2n6h 1 111 . 1 1 14 14 ILE HD13 H 1 1.137 . . 1 . . . A 13 ILE HD13 . c25764_2n6h 1 112 . 1 1 15 15 ARG H H 1 8.353 . . 1 . . . A 14 ARG HN . c25764_2n6h 1 113 . 1 1 15 15 ARG HA H 1 4.196 . . 1 . . . A 14 ARG HA . c25764_2n6h 1 114 . 1 1 15 15 ARG HB2 H 1 1.631 . . 2 . . . A 14 ARG HB2 . c25764_2n6h 1 115 . 1 1 15 15 ARG HB3 H 1 1.526 . . 2 . . . A 14 ARG HB3 . c25764_2n6h 1 116 . 1 1 15 15 ARG HG2 H 1 1.405 . . 2 . . . A 14 ARG HG2 . c25764_2n6h 1 117 . 1 1 15 15 ARG HG3 H 1 1.405 . . 2 . . . A 14 ARG HG3 . c25764_2n6h 1 118 . 1 1 15 15 ARG HD2 H 1 3.056 . . 2 . . . A 14 ARG HD2 . c25764_2n6h 1 119 . 1 1 15 15 ARG HD3 H 1 3.056 . . 2 . . . A 14 ARG HD3 . c25764_2n6h 1 120 . 1 1 15 15 ARG HE H 1 7.140 . . 1 . . . A 14 ARG HE . c25764_2n6h 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c25764_2n6h _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c25764_2n6h _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c25764_2n6h 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c25764_2n6h 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ACE C C 4.927 0.965 -4.782 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 1 . 2 . 1 1 1 ACE CH3 C 3.513 1.396 -4.406 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 1 . 3 . 1 1 1 ACE H1 H 2.809 0.647 -4.737 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 1 . 4 . 1 1 1 ACE H2 H 3.286 2.340 -4.879 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 1 . 5 . 1 1 1 ACE H3 H 3.444 1.505 -3.333 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 1 . 6 . 1 1 1 ACE O O 5.209 -0.227 -4.905 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 1 . 7 . 1 1 2 GLU C C 7.999 1.280 -4.084 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 1 . 8 . 1 1 2 GLU CA C 7.194 1.648 -5.328 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 1 . 9 . 1 1 2 GLU CB C 7.830 2.872 -5.995 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 1 . 10 . 1 1 2 GLU CD C 7.010 2.229 -8.321 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 1 . 11 . 1 1 2 GLU CG C 7.037 3.314 -7.241 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 1 . 12 . 1 1 2 GLU H H 5.530 2.873 -4.853 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 1 . 13 . 1 1 2 GLU HA H 7.219 0.816 -6.008 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 1 . 14 . 1 1 2 GLU HB2 H 7.854 3.687 -5.287 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 15 . 1 1 2 GLU HB3 H 8.841 2.631 -6.288 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 16 . 1 1 2 GLU HG2 H 6.023 3.540 -6.949 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 17 . 1 1 2 GLU HG3 H 7.493 4.205 -7.648 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 18 . 1 1 2 GLU N N 5.811 1.941 -4.964 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 1 . 19 . 1 1 2 GLU O O 7.922 1.959 -3.055 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 1 . 20 . 1 1 2 GLU OE1 O 6.476 1.164 -8.068 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 1 . 21 . 1 1 2 GLU OE2 O 7.530 2.485 -9.394 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 1 . 22 . 1 1 3 ARG C C 11.075 0.003 -3.279 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 1 . 23 . 1 1 3 ARG CA C 9.601 -0.265 -3.071 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 1 . 24 . 1 1 3 ARG CB C 9.448 -1.766 -2.855 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 1 . 25 . 1 1 3 ARG CD C 7.963 -3.615 -2.231 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 1 . 26 . 1 1 3 ARG CG C 8.024 -2.111 -2.450 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 1 . 27 . 1 1 3 ARG CZ C 9.075 -5.238 -0.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 1 . 28 . 1 1 3 ARG H H 8.795 -0.297 -5.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 1 . 29 . 1 1 3 ARG HA H 9.289 0.234 -2.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 1 . 30 . 1 1 3 ARG HB2 H 9.690 -2.283 -3.772 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 31 . 1 1 3 ARG HB3 H 10.126 -2.088 -2.075 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 32 . 1 1 3 ARG HD2 H 6.970 -3.895 -1.912 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 33 . 1 1 3 ARG HD3 H 8.206 -4.126 -3.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 1 . 34 . 1 1 3 ARG HE H 9.516 -3.278 -0.819 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 1 . 35 . 1 1 3 ARG HG2 H 7.768 -1.592 -1.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 36 . 1 1 3 ARG HG3 H 7.340 -1.831 -3.237 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 37 . 1 1 3 ARG HH11 H 7.615 -5.937 -1.978 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 1 . 38 . 1 1 3 ARG HH12 H 8.418 -7.119 -1.000 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 1 . 39 . 1 1 3 ARG HH21 H 10.570 -4.828 0.466 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 1 . 40 . 1 1 3 ARG HH22 H 10.092 -6.490 0.383 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 1 . 41 . 1 1 3 ARG N N 8.777 0.199 -4.188 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 1 . 42 . 1 1 3 ARG NE N 8.929 -3.978 -1.199 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 1 . 43 . 1 1 3 ARG NH1 N 8.310 -6.171 -1.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 1 . 44 . 1 1 3 ARG NH2 N 9.983 -5.543 0.085 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 1 . 45 . 1 1 3 ARG O O 11.611 -0.156 -4.376 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 1 . 46 . 1 1 4 PHE C C 13.704 0.676 -0.784 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 1 . 47 . 1 1 4 PHE CA C 13.154 0.587 -2.200 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 1 . 48 . 1 1 4 PHE CB C 13.519 1.879 -2.940 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 1 . 49 . 1 1 4 PHE CD1 C 15.875 1.154 -3.516 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 1 . 50 . 1 1 4 PHE CD2 C 15.570 3.090 -2.090 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 1 . 51 . 1 1 4 PHE CE1 C 17.265 1.293 -3.399 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 1 . 52 . 1 1 4 PHE CE2 C 16.958 3.231 -1.974 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 1 . 53 . 1 1 4 PHE CG C 15.025 2.057 -2.866 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 1 . 54 . 1 1 4 PHE CZ C 17.806 2.332 -2.630 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 1 . 55 . 1 1 4 PHE H H 11.242 0.423 -1.337 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 1 . 56 . 1 1 4 PHE HA H 13.616 -0.250 -2.698 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 1 . 57 . 1 1 4 PHE HB2 H 13.210 1.802 -3.973 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 58 . 1 1 4 PHE HB3 H 13.025 2.722 -2.479 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 59 . 1 1 4 PHE HD1 H 15.460 0.356 -4.115 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 1 . 60 . 1 1 4 PHE HD2 H 14.917 3.776 -1.581 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 61 . 1 1 4 PHE HE1 H 17.920 0.596 -3.900 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 1 . 62 . 1 1 4 PHE HE2 H 17.374 4.032 -1.371 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 1 . 63 . 1 1 4 PHE HZ H 18.878 2.437 -2.540 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 1 . 64 . 1 1 4 PHE N N 11.728 0.356 -2.185 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 1 . 65 . 1 1 4 PHE O O 13.244 1.483 0.023 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 1 . 66 . 1 1 5 TYR C C 16.760 -0.660 0.627 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 1 . 67 . 1 1 5 TYR CA C 15.370 -0.081 0.791 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 1 . 68 . 1 1 5 TYR CB C 14.559 -0.887 1.822 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 1 . 69 . 1 1 5 TYR CD1 C 15.721 -3.108 1.622 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 1 . 70 . 1 1 5 TYR CD2 C 13.395 -2.947 0.968 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 1 . 71 . 1 1 5 TYR CE1 C 15.737 -4.451 1.272 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 1 . 72 . 1 1 5 TYR CE2 C 13.403 -4.299 0.619 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 1 . 73 . 1 1 5 TYR CG C 14.550 -2.353 1.476 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 1 . 74 . 1 1 5 TYR CZ C 14.575 -5.056 0.771 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 1 . 75 . 1 1 5 TYR H H 15.074 -0.715 -1.204 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 1 . 76 . 1 1 5 TYR HA H 15.448 0.936 1.121 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 1 . 77 . 1 1 5 TYR HB2 H 15.002 -0.762 2.798 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 78 . 1 1 5 TYR HB3 H 13.543 -0.519 1.844 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 79 . 1 1 5 TYR HD1 H 16.608 -2.656 2.031 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 1 . 80 . 1 1 5 TYR HD2 H 12.494 -2.362 0.851 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 81 . 1 1 5 TYR HE1 H 16.648 -5.017 1.392 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 1 . 82 . 1 1 5 TYR HE2 H 12.508 -4.755 0.233 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 1 . 83 . 1 1 5 TYR HH H 14.228 -6.893 1.159 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 1 . 84 . 1 1 5 TYR N N 14.724 -0.120 -0.508 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 1 . 85 . 1 1 5 TYR O O 17.004 -1.417 -0.315 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 1 . 86 . 1 1 5 TYR OH O 14.587 -6.391 0.423 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 1 . 87 . 1 1 6 GLU C C 19.279 -1.803 2.662 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 1 . 88 . 1 1 6 GLU CA C 19.029 -0.889 1.467 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 1 . 89 . 1 1 6 GLU CB C 20.069 0.236 1.477 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 1 . 90 . 1 1 6 GLU CD C 19.938 0.574 -1.043 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 1 . 91 . 1 1 6 GLU CG C 19.824 1.237 0.332 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 1 . 92 . 1 1 6 GLU H H 17.417 0.257 2.279 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 1 . 93 . 1 1 6 GLU HA H 19.150 -1.475 0.570 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 1 . 94 . 1 1 6 GLU HB2 H 20.025 0.750 2.418 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 95 . 1 1 6 GLU HB3 H 21.052 -0.197 1.360 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 96 . 1 1 6 GLU HG2 H 18.835 1.656 0.438 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 97 . 1 1 6 GLU HG3 H 20.551 2.033 0.401 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 98 . 1 1 6 GLU N N 17.667 -0.340 1.541 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 1 . 99 . 1 1 6 GLU O O 19.109 -1.399 3.813 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 1 . 100 . 1 1 6 GLU OE1 O 19.155 -0.314 -1.332 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 1 . 101 . 1 1 6 GLU OE2 O 20.815 0.971 -1.792 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 1 . 102 . 1 1 7 LYS C C 21.505 -4.204 3.479 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 1 . 103 . 1 1 7 LYS CA C 20.003 -4.012 3.423 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 1 . 104 . 1 1 7 LYS CB C 19.318 -5.348 3.115 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 1 . 105 . 1 1 7 LYS CD C 18.934 -7.688 3.911 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 1 . 106 . 1 1 7 LYS CE C 19.254 -8.701 5.012 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 1 . 107 . 1 1 7 LYS CG C 19.633 -6.363 4.220 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 1 . 108 . 1 1 7 LYS H H 19.829 -3.287 1.438 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 1 . 109 . 1 1 7 LYS HA H 19.656 -3.647 4.381 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 1 . 110 . 1 1 7 LYS HB2 H 18.251 -5.197 3.062 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 111 . 1 1 7 LYS HB3 H 19.675 -5.726 2.170 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 112 . 1 1 7 LYS HD2 H 17.867 -7.530 3.865 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 113 . 1 1 7 LYS HD3 H 19.284 -8.068 2.963 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 1 . 114 . 1 1 7 LYS HE2 H 20.322 -8.861 5.056 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 1 . 115 . 1 1 7 LYS HE3 H 18.908 -8.322 5.962 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 1 . 116 . 1 1 7 LYS HG2 H 20.699 -6.525 4.271 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 117 . 1 1 7 LYS HG3 H 19.280 -5.985 5.168 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 118 . 1 1 7 LYS HZ1 H 17.588 -9.808 4.438 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 1 . 119 . 1 1 7 LYS HZ2 H 18.589 -10.596 5.562 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 1 . 120 . 1 1 7 LYS HZ3 H 19.063 -10.473 3.935 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 1 . 121 . 1 1 7 LYS N N 19.702 -3.033 2.376 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 1 . 122 . 1 1 7 LYS NZ N 18.572 -9.993 4.714 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 1 . 123 . 1 1 7 LYS O O 22.088 -4.907 2.652 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 1 . 124 . 1 1 8 . CAA C 25.761 -2.509 4.064 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 1 . 125 . 1 1 8 . CAB C 23.765 -2.003 2.673 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 1 . 126 . 1 1 8 . CAE C 23.605 -3.660 4.499 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 1 . 127 . 1 1 8 . CAF C 24.242 -2.331 4.089 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 1 . 128 . 1 1 8 . HAA H 26.215 -1.679 3.522 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 1 . 129 . 1 1 8 . HAB H 26.008 -3.446 3.567 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 1 . 130 . 1 1 8 . HAC H 26.141 -2.528 5.085 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 1 . 131 . 1 1 8 . HAD H 24.441 -2.453 1.945 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 1 . 132 . 1 1 8 . HAE H 23.747 -0.922 2.535 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 1 . 133 . 1 1 8 . HAF H 22.759 -2.399 2.530 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 1 . 134 . 1 1 8 . HAG H 23.954 -4.438 3.819 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 1 . 135 . 1 1 8 . HAH H 23.897 -3.916 5.516 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 1 . 136 . 1 1 8 . HAI H 21.639 -2.973 5.047 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 1 . 137 . 1 1 8 . HAL H 24.093 -0.300 4.699 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 1 . 138 . 1 1 8 . NAC N 22.141 -3.560 4.411 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 1 . 139 . 1 1 8 . NAD N 23.878 -1.229 4.996 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 1 . 140 . 1 1 9 DPR C C 23.290 -1.385 6.177 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 1 . 141 . 1 1 9 DPR CA C 22.978 -0.134 7.007 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 1 . 142 . 1 1 9 DPR CB C 23.668 1.123 6.487 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 1 . 143 . 1 1 9 DPR CD C 21.424 1.705 7.277 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 1 . 144 . 1 1 9 DPR CG C 22.859 2.249 7.076 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 1 . 145 . 1 1 9 DPR HA H 23.271 -0.295 8.032 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 1 . 146 . 1 1 9 DPR HB2 H 24.694 1.161 6.830 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 147 . 1 1 9 DPR HB3 H 23.624 1.163 5.410 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 148 . 1 1 9 DPR HD2 H 21.104 1.837 8.302 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 149 . 1 1 9 DPR HD3 H 20.732 2.182 6.598 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 1 . 150 . 1 1 9 DPR HG2 H 23.284 2.550 8.028 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 151 . 1 1 9 DPR HG3 H 22.840 3.092 6.399 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 152 . 1 1 9 DPR N N 21.549 0.277 6.951 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 1 . 153 . 1 1 9 DPR O O 22.985 -2.480 6.641 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 1 . 154 . 1 1 10 VAL C C 20.565 -0.535 6.635 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 1 . 155 . 1 1 10 VAL CA C 19.142 0.027 6.649 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 1 . 156 . 1 1 10 VAL CB C 18.170 -1.130 6.897 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 1 . 157 . 1 1 10 VAL CG1 C 18.467 -1.774 8.252 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 1 . 158 . 1 1 10 VAL CG2 C 16.729 -0.614 6.867 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 1 . 159 . 1 1 10 VAL H H 18.800 0.098 4.556 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 1 . 160 . 1 1 10 VAL HA H 19.040 0.744 7.451 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 1 . 161 . 1 1 10 VAL HB H 18.300 -1.871 6.119 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 1 . 162 . 1 1 10 VAL HG11 H 19.409 -2.301 8.201 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 1 . 163 . 1 1 10 VAL HG12 H 17.679 -2.470 8.499 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 1 . 164 . 1 1 10 VAL HG13 H 18.523 -1.008 9.010 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 1 . 165 . 1 1 10 VAL HG21 H 16.428 -0.454 5.841 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 1 . 166 . 1 1 10 VAL HG22 H 16.665 0.316 7.412 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 1 . 167 . 1 1 10 VAL HG23 H 16.074 -1.344 7.322 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 1 . 168 . 1 1 10 VAL N N 18.810 0.650 5.366 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 1 . 169 . 1 1 10 VAL O O 20.757 -1.719 6.360 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 1 . 170 . 1 1 11 GLN C C 18.496 1.947 5.273 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 1 . 171 . 1 1 11 GLN CA C 18.145 2.443 3.875 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 1 . 172 . 1 1 11 GLN CB C 19.248 3.348 3.302 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 1 . 173 . 1 1 11 GLN CD C 20.420 5.543 3.526 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 1 . 174 . 1 1 11 GLN CG C 19.321 4.650 4.093 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 1 . 175 . 1 1 11 GLN H H 16.527 3.515 4.721 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 1 . 176 . 1 1 11 GLN HA H 18.043 1.583 3.235 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 1 . 177 . 1 1 11 GLN HB2 H 20.201 2.843 3.369 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 178 . 1 1 11 GLN HB3 H 19.032 3.571 2.267 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 179 . 1 1 11 GLN HE21 H 19.183 7.032 3.083 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 1 . 180 . 1 1 11 GLN HE22 H 20.813 7.304 2.697 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 1 . 181 . 1 1 11 GLN HG2 H 18.371 5.161 4.011 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 182 . 1 1 11 GLN HG3 H 19.531 4.436 5.127 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 183 . 1 1 11 GLN N N 16.872 3.152 3.879 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 1 . 184 . 1 1 11 GLN NE2 N 20.113 6.725 3.064 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 1 . 185 . 1 1 11 GLN O O 18.458 2.700 6.246 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 1 . 186 . 1 1 11 GLN OE1 O 21.587 5.154 3.504 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 1 . 187 . 1 1 12 LYS C C 16.170 3.310 2.769 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 1 . 188 . 1 1 12 LYS CA C 14.850 4.067 2.918 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 1 . 189 . 1 1 12 LYS CB C 14.062 3.470 4.089 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 1 . 190 . 1 1 12 LYS CD C 11.888 3.644 5.412 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 1 . 191 . 1 1 12 LYS CE C 12.599 3.713 6.773 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 1 . 192 . 1 1 12 LYS CG C 12.750 4.245 4.279 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 1 . 193 . 1 1 12 LYS H H 14.046 3.127 1.197 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 1 . 194 . 1 1 12 LYS HA H 15.065 5.104 3.133 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 1 . 195 . 1 1 12 LYS HB2 H 13.847 2.429 3.888 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 196 . 1 1 12 LYS HB3 H 14.664 3.550 4.975 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 197 . 1 1 12 LYS HD2 H 10.959 4.191 5.475 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 198 . 1 1 12 LYS HD3 H 11.673 2.612 5.179 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 1 . 199 . 1 1 12 LYS HE2 H 11.938 3.320 7.531 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 1 . 200 . 1 1 12 LYS HE3 H 13.500 3.128 6.759 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 1 . 201 . 1 1 12 LYS HG2 H 12.977 5.273 4.519 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 202 . 1 1 12 LYS HG3 H 12.185 4.214 3.359 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 203 . 1 1 12 LYS HZ1 H 12.085 5.727 6.905 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 1 . 204 . 1 1 12 LYS HZ2 H 13.715 5.452 6.513 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 1 . 205 . 1 1 12 LYS HZ3 H 13.169 5.209 8.104 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 1 . 206 . 1 1 12 LYS N N 14.065 3.977 1.686 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 1 . 207 . 1 1 12 LYS NZ N 12.916 5.133 7.098 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 1 . 208 . 1 1 12 LYS O O 16.542 2.872 1.680 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 1 . 209 . 1 1 13 PHE C C 13.379 5.017 1.204 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 1 . 210 . 1 1 13 PHE CA C 12.623 4.757 -0.092 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 1 . 211 . 1 1 13 PHE CB C 13.055 5.772 -1.164 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 1 . 212 . 1 1 13 PHE CD1 C 11.233 5.138 -2.823 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 1 . 213 . 1 1 13 PHE CD2 C 13.543 5.106 -3.555 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 1 . 214 . 1 1 13 PHE CE1 C 10.833 4.731 -4.104 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 1 . 215 . 1 1 13 PHE CE2 C 13.132 4.701 -4.830 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 1 . 216 . 1 1 13 PHE CG C 12.592 5.326 -2.543 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 1 . 217 . 1 1 13 PHE CZ C 11.774 4.515 -5.097 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 1 . 218 . 1 1 13 PHE H H 10.664 5.543 -0.290 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 1 . 219 . 1 1 13 PHE HA H 12.879 3.769 -0.435 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 1 . 220 . 1 1 13 PHE HB2 H 12.607 6.730 -0.938 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 221 . 1 1 13 PHE HB3 H 14.129 5.878 -1.154 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 222 . 1 1 13 PHE HD1 H 10.495 5.304 -2.059 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 1 . 223 . 1 1 13 PHE HD2 H 14.593 5.251 -3.352 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 224 . 1 1 13 PHE HE1 H 9.797 4.580 -4.332 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 1 . 225 . 1 1 13 PHE HE2 H 13.864 4.532 -5.607 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 1 . 226 . 1 1 13 PHE HZ H 11.445 4.206 -6.072 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 1 . 227 . 1 1 13 PHE N N 11.175 4.808 0.109 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 1 . 228 . 1 1 13 PHE O O 13.352 6.121 1.748 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 1 . 229 . 1 1 14 ILE C C 10.539 3.908 0.853 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 1 . 230 . 1 1 14 ILE CA C 9.028 4.120 1.012 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 1 . 231 . 1 1 14 ILE CB C 8.439 3.085 1.986 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 1 . 232 . 1 1 14 ILE CD1 C 7.683 1.555 0.088 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 1 . 233 . 1 1 14 ILE CG1 C 8.488 1.662 1.392 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 1 . 234 . 1 1 14 ILE CG2 C 6.994 3.457 2.342 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 1 . 235 . 1 1 14 ILE H H 8.678 3.558 -1.016 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 1 . 236 . 1 1 14 ILE HA H 8.888 5.091 1.451 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 1 . 237 . 1 1 14 ILE HB H 9.028 3.103 2.894 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 1 . 238 . 1 1 14 ILE HD11 H 7.307 0.547 -0.016 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 1 . 239 . 1 1 14 ILE HD12 H 8.323 1.782 -0.748 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 1 . 240 . 1 1 14 ILE HD13 H 6.852 2.243 0.102 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 1 . 241 . 1 1 14 ILE HG12 H 9.510 1.400 1.190 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 1 . 242 . 1 1 14 ILE HG13 H 8.084 0.969 2.112 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 1 . 243 . 1 1 14 ILE HG21 H 6.948 4.501 2.617 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 1 . 244 . 1 1 14 ILE HG22 H 6.660 2.853 3.172 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 1 . 245 . 1 1 14 ILE HG23 H 6.353 3.281 1.492 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 1 . 246 . 1 1 14 ILE N N 8.321 4.097 -0.274 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 1 . 247 . 1 1 14 ILE O O 11.120 2.986 1.425 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 1 . 248 . 1 1 15 ARG C C 7.193 4.786 -0.454 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 1 . 249 . 1 1 15 ARG CA C 6.540 4.674 -1.830 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 1 . 250 . 1 1 15 ARG CB C 7.332 5.489 -2.851 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 1 . 251 . 1 1 15 ARG CD C 8.101 7.780 -3.501 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 1 . 252 . 1 1 15 ARG CG C 7.324 6.967 -2.460 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 1 . 253 . 1 1 15 ARG CZ C 10.342 7.911 -4.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 1 . 254 . 1 1 15 ARG H H 4.945 5.915 -1.203 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 1 . 255 . 1 1 15 ARG HA H 6.545 3.636 -2.133 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 1 . 256 . 1 1 15 ARG HB2 H 8.343 5.134 -2.869 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 1 . 257 . 1 1 15 ARG HB3 H 6.891 5.373 -3.828 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 1 . 258 . 1 1 15 ARG HD2 H 7.640 7.652 -4.468 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 1 . 259 . 1 1 15 ARG HD3 H 8.069 8.825 -3.229 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 1 . 260 . 1 1 15 ARG HE H 9.804 6.615 -2.993 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 1 . 261 . 1 1 15 ARG HG2 H 6.304 7.321 -2.415 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 1 . 262 . 1 1 15 ARG HG3 H 7.790 7.087 -1.494 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 1 . 263 . 1 1 15 ARG HH11 H 8.982 9.177 -5.168 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 1 . 264 . 1 1 15 ARG HH12 H 10.571 9.301 -5.846 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 1 . 265 . 1 1 15 ARG HH21 H 11.899 6.777 -3.879 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 1 . 266 . 1 1 15 ARG HH22 H 12.220 7.944 -5.117 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 1 . 267 . 1 1 15 ARG N N 5.163 5.160 -1.783 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 1 . 268 . 1 1 15 ARG NE N 9.492 7.341 -3.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 1 . 269 . 1 1 15 ARG NH1 N 9.933 8.871 -5.207 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 1 . 270 . 1 1 15 ARG NH2 N 11.583 7.512 -4.478 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 1 . 271 . 1 1 15 ARG O O 6.681 5.472 0.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 1 . 272 . 1 1 16 ACE C C 4.202 4.604 -2.518 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 1 . 273 . 1 1 16 ACE CH3 C 2.810 5.212 -2.377 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 1 . 274 . 1 1 16 ACE H1 H 2.245 5.030 -3.279 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 1 . 275 . 1 1 16 ACE H2 H 2.897 6.276 -2.216 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 1 . 276 . 1 1 16 ACE H3 H 2.303 4.762 -1.537 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 1 . 277 . 1 1 16 ACE O O 4.401 3.656 -3.276 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 2 . 278 . 1 1 1 ACE C C 9.313 2.512 -4.458 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 2 . 279 . 1 1 1 ACE CH3 C 9.919 3.250 -5.648 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 2 . 280 . 1 1 1 ACE H1 H 10.522 4.072 -5.293 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 2 . 281 . 1 1 1 ACE H2 H 9.128 3.628 -6.279 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 2 . 282 . 1 1 1 ACE H3 H 10.535 2.570 -6.216 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 2 . 283 . 1 1 1 ACE O O 9.909 2.449 -3.383 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 2 . 284 . 1 1 2 GLU C C 8.382 0.405 -2.778 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 2 . 285 . 1 1 2 GLU CA C 7.421 1.231 -3.617 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 2 . 286 . 1 1 2 GLU CB C 6.382 0.314 -4.274 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 2 . 287 . 1 1 2 GLU CD C 4.907 0.452 -2.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 2 . 288 . 1 1 2 GLU CG C 5.623 -0.487 -3.213 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 2 . 289 . 1 1 2 GLU H H 7.690 2.052 -5.534 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 2 . 290 . 1 1 2 GLU HA H 6.910 1.918 -2.975 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 2 . 291 . 1 1 2 GLU HB2 H 5.682 0.916 -4.835 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 292 . 1 1 2 GLU HB3 H 6.883 -0.368 -4.944 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 293 . 1 1 2 GLU HG2 H 4.896 -1.114 -3.704 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 294 . 1 1 2 GLU HG3 H 6.314 -1.106 -2.666 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 295 . 1 1 2 GLU N N 8.120 1.959 -4.662 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 2 . 296 . 1 1 2 GLU O O 8.266 0.391 -1.558 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 2 . 297 . 1 1 2 GLU OE1 O 4.083 1.225 -2.706 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 2 . 298 . 1 1 2 GLU OE2 O 5.194 0.383 -1.063 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 2 . 299 . 1 1 3 ARG C C 11.015 -0.320 -1.684 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 2 . 300 . 1 1 3 ARG CA C 10.242 -1.146 -2.720 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 2 . 301 . 1 1 3 ARG CB C 11.183 -1.795 -3.761 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 2 . 302 . 1 1 3 ARG CD C 11.324 -4.129 -2.722 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 2 . 303 . 1 1 3 ARG CG C 12.111 -2.881 -3.197 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 2 . 304 . 1 1 3 ARG CZ C 9.696 -4.787 -1.047 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 2 . 305 . 1 1 3 ARG H H 9.343 -0.258 -4.407 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 2 . 306 . 1 1 3 ARG HA H 9.683 -1.882 -2.217 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 2 . 307 . 1 1 3 ARG HB2 H 10.587 -2.241 -4.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 308 . 1 1 3 ARG HB3 H 11.795 -1.023 -4.199 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 309 . 1 1 3 ARG HD2 H 10.706 -4.483 -3.534 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 310 . 1 1 3 ARG HD3 H 12.022 -4.909 -2.464 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 2 . 311 . 1 1 3 ARG HE H 10.502 -2.960 -1.158 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 2 . 312 . 1 1 3 ARG HG2 H 12.802 -3.177 -3.971 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 313 . 1 1 3 ARG HG3 H 12.664 -2.469 -2.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 314 . 1 1 3 ARG HH11 H 10.193 -6.172 -2.404 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 2 . 315 . 1 1 3 ARG HH12 H 9.061 -6.679 -1.195 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 2 . 316 . 1 1 3 ARG HH21 H 9.018 -3.616 0.428 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 2 . 317 . 1 1 3 ARG HH22 H 8.395 -5.232 0.407 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 2 . 318 . 1 1 3 ARG N N 9.305 -0.293 -3.430 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 2 . 319 . 1 1 3 ARG NE N 10.474 -3.846 -1.572 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 2 . 320 . 1 1 3 ARG NH1 N 9.646 -5.972 -1.591 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 2 . 321 . 1 1 3 ARG NH2 N 8.981 -4.525 0.012 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 2 . 322 . 1 1 3 ARG O O 10.428 0.187 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 2 . 323 . 1 1 4 PHE C C 12.899 0.142 0.532 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 2 . 324 . 1 1 4 PHE CA C 13.108 0.619 -0.917 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 2 . 325 . 1 1 4 PHE CB C 12.745 2.111 -1.058 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 2 . 326 . 1 1 4 PHE CD1 C 12.725 2.153 -3.601 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 2 . 327 . 1 1 4 PHE CD2 C 14.162 3.701 -2.408 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 2 . 328 . 1 1 4 PHE CE1 C 13.175 2.683 -4.818 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 2 . 329 . 1 1 4 PHE CE2 C 14.607 4.227 -3.621 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 2 . 330 . 1 1 4 PHE CG C 13.219 2.662 -2.390 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 2 . 331 . 1 1 4 PHE CZ C 14.115 3.720 -4.827 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 2 . 332 . 1 1 4 PHE H H 12.744 -0.588 -2.640 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 2 . 333 . 1 1 4 PHE HA H 14.151 0.499 -1.165 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 2 . 334 . 1 1 4 PHE HB2 H 11.671 2.219 -1.019 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 335 . 1 1 4 PHE HB3 H 13.190 2.671 -0.252 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 336 . 1 1 4 PHE HD1 H 11.996 1.360 -3.601 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 2 . 337 . 1 1 4 PHE HD2 H 14.546 4.098 -1.479 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 338 . 1 1 4 PHE HE1 H 12.797 2.291 -5.749 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 2 . 339 . 1 1 4 PHE HE2 H 15.328 5.029 -3.624 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 2 . 340 . 1 1 4 PHE HZ H 14.462 4.127 -5.766 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 2 . 341 . 1 1 4 PHE N N 12.318 -0.172 -1.866 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 2 . 342 . 1 1 4 PHE O O 12.217 0.792 1.329 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 2 . 343 . 1 1 5 TYR C C 14.713 -1.646 2.916 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 2 . 344 . 1 1 5 TYR CA C 13.368 -1.612 2.200 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 2 . 345 . 1 1 5 TYR CB C 12.843 -3.043 2.035 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 2 . 346 . 1 1 5 TYR CD1 C 15.066 -4.210 1.733 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 2 . 347 . 1 1 5 TYR CD2 C 13.548 -4.056 -0.133 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 2 . 348 . 1 1 5 TYR CE1 C 16.008 -4.844 0.924 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 2 . 349 . 1 1 5 TYR CE2 C 14.476 -4.697 -0.951 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 2 . 350 . 1 1 5 TYR CG C 13.831 -3.824 1.204 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 2 . 351 . 1 1 5 TYR CZ C 15.715 -5.092 -0.425 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 2 . 352 . 1 1 5 TYR H H 14.014 -1.484 0.177 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 2 . 353 . 1 1 5 TYR HA H 12.666 -1.052 2.790 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 2 . 354 . 1 1 5 TYR HB2 H 12.748 -3.506 3.006 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 355 . 1 1 5 TYR HB3 H 11.883 -3.027 1.544 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 356 . 1 1 5 TYR HD1 H 15.280 -4.049 2.773 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 2 . 357 . 1 1 5 TYR HD2 H 12.601 -3.755 -0.525 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 358 . 1 1 5 TYR HE1 H 16.965 -5.130 1.340 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 2 . 359 . 1 1 5 TYR HE2 H 14.242 -4.868 -1.991 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 2 . 360 . 1 1 5 TYR HH H 16.810 -6.592 -0.868 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 2 . 361 . 1 1 5 TYR N N 13.491 -1.012 0.859 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 2 . 362 . 1 1 5 TYR O O 15.746 -1.390 2.309 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 2 . 363 . 1 1 5 TYR OH O 16.641 -5.720 -1.232 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 2 . 364 . 1 1 6 GLU C C 17.161 -1.848 4.401 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 2 . 365 . 1 1 6 GLU CA C 15.828 -2.104 5.098 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 2 . 366 . 1 1 6 GLU CB C 15.836 -3.491 5.759 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 2 . 367 . 1 1 6 GLU CD C 17.004 -4.987 7.393 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 2 . 368 . 1 1 6 GLU CG C 17.024 -3.617 6.723 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 2 . 369 . 1 1 6 GLU H H 13.776 -2.173 4.590 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 2 . 370 . 1 1 6 GLU HA H 15.727 -1.376 5.866 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 2 . 371 . 1 1 6 GLU HB2 H 14.916 -3.630 6.307 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 372 . 1 1 6 GLU HB3 H 15.915 -4.251 4.998 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 373 . 1 1 6 GLU HG2 H 17.950 -3.505 6.178 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 374 . 1 1 6 GLU HG3 H 16.956 -2.850 7.479 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 375 . 1 1 6 GLU N N 14.656 -1.987 4.209 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 2 . 376 . 1 1 6 GLU O O 17.952 -1.036 4.874 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 2 . 377 . 1 1 6 GLU OE1 O 16.026 -5.286 8.058 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 2 . 378 . 1 1 6 GLU OE2 O 17.968 -5.718 7.231 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 2 . 379 . 1 1 7 LYS C C 18.432 -2.238 1.052 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 2 . 380 . 1 1 7 LYS CA C 18.668 -2.325 2.559 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 2 . 381 . 1 1 7 LYS CB C 19.614 -3.478 2.887 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 2 . 382 . 1 1 7 LYS CD C 21.981 -4.332 2.592 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 2 . 383 . 1 1 7 LYS CE C 21.543 -5.702 2.049 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 2 . 384 . 1 1 7 LYS CG C 20.972 -3.223 2.238 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 2 . 385 . 1 1 7 LYS H H 16.753 -3.148 2.962 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 2 . 386 . 1 1 7 LYS HA H 19.119 -1.404 2.859 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 2 . 387 . 1 1 7 LYS HB2 H 19.730 -3.558 3.959 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 388 . 1 1 7 LYS HB3 H 19.188 -4.384 2.500 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 389 . 1 1 7 LYS HD2 H 22.942 -4.079 2.175 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 390 . 1 1 7 LYS HD3 H 22.066 -4.391 3.667 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 2 . 391 . 1 1 7 LYS HE2 H 20.619 -6.005 2.509 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 2 . 392 . 1 1 7 LYS HE3 H 21.416 -5.647 0.978 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 2 . 393 . 1 1 7 LYS HG2 H 20.857 -3.175 1.168 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 394 . 1 1 7 LYS HG3 H 21.350 -2.276 2.602 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 395 . 1 1 7 LYS HZ1 H 23.527 -6.318 2.171 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 2 . 396 . 1 1 7 LYS HZ2 H 22.435 -7.567 1.803 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 2 . 397 . 1 1 7 LYS HZ3 H 22.529 -6.955 3.385 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 2 . 398 . 1 1 7 LYS N N 17.412 -2.521 3.289 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 2 . 399 . 1 1 7 LYS NZ N 22.587 -6.712 2.377 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 2 . 400 . 1 1 7 LYS O O 17.440 -2.743 0.535 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 2 . 401 . 1 1 8 . CAA C 21.507 -1.978 -1.705 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 2 . 402 . 1 1 8 . CAB C 20.097 -0.659 -3.257 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 2 . 403 . 1 1 8 . CAE C 19.151 -1.451 -1.108 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 2 . 404 . 1 1 8 . CAF C 20.414 -0.910 -1.782 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 2 . 405 . 1 1 8 . HAA H 21.367 -2.578 -0.805 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 2 . 406 . 1 1 8 . HAB H 22.484 -1.496 -1.672 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 2 . 407 . 1 1 8 . HAC H 21.449 -2.622 -2.583 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 2 . 408 . 1 1 8 . HAD H 19.496 0.245 -3.353 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 2 . 409 . 1 1 8 . HAE H 19.544 -1.508 -3.660 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 2 . 410 . 1 1 8 . HAF H 21.028 -0.540 -3.811 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 2 . 411 . 1 1 8 . HAG H 18.328 -0.764 -1.307 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 2 . 412 . 1 1 8 . HAH H 18.909 -2.427 -1.529 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 2 . 413 . 1 1 8 . HAI H 20.116 -1.173 0.796 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 2 . 414 . 1 1 8 . HAL H 20.450 1.201 -1.499 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 2 . 415 . 1 1 8 . NAC N 19.325 -1.585 0.346 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 2 . 416 . 1 1 8 . NAD N 20.843 0.349 -1.153 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 2 . 417 . 1 1 9 DPR C C 21.720 0.413 -0.163 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 2 . 418 . 1 1 9 DPR CA C 22.098 1.792 0.415 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 2 . 419 . 1 1 9 DPR CB C 21.651 2.943 -0.488 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 2 . 420 . 1 1 9 DPR CD C 21.073 3.535 1.797 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 2 . 421 . 1 1 9 DPR CG C 21.513 4.111 0.439 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 2 . 422 . 1 1 9 DPR HA H 23.165 1.849 0.561 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 2 . 423 . 1 1 9 DPR HB2 H 22.398 3.140 -1.246 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 424 . 1 1 9 DPR HB3 H 20.700 2.723 -0.943 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 425 . 1 1 9 DPR HD2 H 21.635 3.993 2.601 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 426 . 1 1 9 DPR HD3 H 20.015 3.673 1.950 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 2 . 427 . 1 1 9 DPR HG2 H 22.465 4.620 0.536 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 428 . 1 1 9 DPR HG3 H 20.763 4.797 0.072 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 429 . 1 1 9 DPR N N 21.392 2.094 1.696 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 2 . 430 . 1 1 9 DPR O O 22.251 -0.593 0.308 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 2 . 431 . 1 1 10 VAL C C 21.123 1.159 2.586 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 2 . 432 . 1 1 10 VAL CA C 20.357 1.532 3.860 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 2 . 433 . 1 1 10 VAL CB C 21.030 0.875 5.095 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 2 . 434 . 1 1 10 VAL CG1 C 21.123 -0.657 4.997 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 2 . 435 . 1 1 10 VAL CG2 C 22.435 1.457 5.263 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 2 . 436 . 1 1 10 VAL H H 18.751 0.146 3.678 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 2 . 437 . 1 1 10 VAL HA H 20.383 2.603 3.996 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 2 . 438 . 1 1 10 VAL HB H 20.450 1.114 5.961 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 2 . 439 . 1 1 10 VAL HG11 H 21.251 -1.069 5.988 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 2 . 440 . 1 1 10 VAL HG12 H 21.969 -0.938 4.392 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 2 . 441 . 1 1 10 VAL HG13 H 20.230 -1.051 4.571 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 2 . 442 . 1 1 10 VAL HG21 H 22.380 2.535 5.265 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 2 . 443 . 1 1 10 VAL HG22 H 23.060 1.129 4.445 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 2 . 444 . 1 1 10 VAL HG23 H 22.857 1.116 6.197 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 2 . 445 . 1 1 10 VAL N N 18.958 1.102 3.699 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 2 . 446 . 1 1 10 VAL O O 21.447 -0.001 2.391 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 2 . 447 . 1 1 11 GLN C C 17.961 1.995 3.550 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 2 . 448 . 1 1 11 GLN CA C 16.551 1.421 3.353 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 2 . 449 . 1 1 11 GLN CB C 16.243 1.189 1.854 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 2 . 450 . 1 1 11 GLN CD C 17.599 3.158 1.016 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 2 . 451 . 1 1 11 GLN CG C 16.224 2.507 1.056 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 2 . 452 . 1 1 11 GLN H H 15.579 3.256 3.769 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 2 . 453 . 1 1 11 GLN HA H 16.504 0.478 3.855 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 2 . 454 . 1 1 11 GLN HB2 H 16.987 0.532 1.431 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 455 . 1 1 11 GLN HB3 H 15.270 0.728 1.764 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 456 . 1 1 11 GLN HE21 H 16.987 4.856 1.845 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 2 . 457 . 1 1 11 GLN HE22 H 18.637 4.794 1.453 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 2 . 458 . 1 1 11 GLN HG2 H 15.901 2.303 0.046 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 459 . 1 1 11 GLN HG3 H 15.524 3.187 1.519 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 460 . 1 1 11 GLN N N 15.513 2.287 3.899 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 2 . 461 . 1 1 11 GLN NE2 N 17.754 4.370 1.476 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 2 . 462 . 1 1 11 GLN O O 18.150 3.211 3.549 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 2 . 463 . 1 1 11 GLN OE1 O 18.556 2.550 0.536 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 2 . 464 . 1 1 12 LYS C C 14.442 1.782 4.530 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 2 . 465 . 1 1 12 LYS CA C 13.419 2.808 4.982 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 2 . 466 . 1 1 12 LYS CB C 12.379 2.134 5.904 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 2 . 467 . 1 1 12 LYS CD C 10.566 3.909 5.554 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 2 . 468 . 1 1 12 LYS CE C 9.597 4.829 6.296 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 2 . 469 . 1 1 12 LYS CG C 11.412 3.141 6.570 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 2 . 470 . 1 1 12 LYS H H 12.255 2.832 3.199 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 2 . 471 . 1 1 12 LYS HA H 13.933 3.583 5.541 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 2 . 472 . 1 1 12 LYS HB2 H 11.800 1.435 5.320 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 473 . 1 1 12 LYS HB3 H 12.903 1.589 6.676 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 474 . 1 1 12 LYS HD2 H 11.197 4.510 4.934 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 475 . 1 1 12 LYS HD3 H 10.011 3.216 4.951 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 2 . 476 . 1 1 12 LYS HE2 H 8.950 4.237 6.927 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 2 . 477 . 1 1 12 LYS HE3 H 10.156 5.524 6.905 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 2 . 478 . 1 1 12 LYS HG2 H 10.752 2.604 7.235 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 479 . 1 1 12 LYS HG3 H 11.990 3.846 7.150 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 480 . 1 1 12 LYS HZ1 H 7.893 5.063 5.122 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 2 . 481 . 1 1 12 LYS HZ2 H 9.309 5.690 4.422 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 2 . 482 . 1 1 12 LYS HZ3 H 8.545 6.522 5.691 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 2 . 483 . 1 1 12 LYS N N 12.839 3.389 3.766 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 2 . 484 . 1 1 12 LYS NZ N 8.774 5.583 5.308 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 2 . 485 . 1 1 12 LYS O O 14.252 0.568 4.691 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 2 . 486 . 1 1 13 PHE C C 13.164 4.616 3.356 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 2 . 487 . 1 1 13 PHE CA C 12.582 5.060 2.020 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 2 . 488 . 1 1 13 PHE CB C 12.993 6.515 1.752 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 2 . 489 . 1 1 13 PHE CD1 C 12.176 6.084 -0.664 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 2 . 490 . 1 1 13 PHE CD2 C 12.979 8.289 -0.028 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 2 . 491 . 1 1 13 PHE CE1 C 11.955 6.546 -1.961 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 2 . 492 . 1 1 13 PHE CE2 C 12.754 8.742 -1.331 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 2 . 493 . 1 1 13 PHE CG C 12.693 6.962 0.321 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 2 . 494 . 1 1 13 PHE CZ C 12.244 7.873 -2.297 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 2 . 495 . 1 1 13 PHE H H 10.548 5.670 2.191 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 2 . 496 . 1 1 13 PHE HA H 13.040 4.440 1.267 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 2 . 497 . 1 1 13 PHE HB2 H 12.456 7.159 2.433 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 498 . 1 1 13 PHE HB3 H 14.053 6.621 1.938 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 499 . 1 1 13 PHE HD1 H 11.940 5.064 -0.437 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 2 . 500 . 1 1 13 PHE HD2 H 13.373 8.966 0.715 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 501 . 1 1 13 PHE HE1 H 11.568 5.868 -2.707 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 2 . 502 . 1 1 13 PHE HE2 H 12.977 9.767 -1.592 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 2 . 503 . 1 1 13 PHE HZ H 12.072 8.226 -3.300 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 2 . 504 . 1 1 13 PHE N N 11.118 4.916 1.930 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 2 . 505 . 1 1 13 PHE O O 13.961 5.333 3.962 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 2 . 506 . 1 1 14 ILE C C 10.549 3.796 1.475 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 2 . 507 . 1 1 14 ILE CA C 9.013 3.795 1.401 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 2 . 508 . 1 1 14 ILE CB C 8.394 2.603 2.154 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 2 . 509 . 1 1 14 ILE CD1 C 8.137 0.133 2.289 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 2 . 510 . 1 1 14 ILE CG1 C 8.768 1.278 1.499 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 2 . 511 . 1 1 14 ILE CG2 C 6.870 2.741 2.146 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 2 . 512 . 1 1 14 ILE H H 8.739 3.040 -0.607 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 2 . 513 . 1 1 14 ILE HA H 8.673 4.696 1.889 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 2 . 514 . 1 1 14 ILE HB H 8.739 2.609 3.173 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 2 . 515 . 1 1 14 ILE HD11 H 7.072 0.120 2.112 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 2 . 516 . 1 1 14 ILE HD12 H 8.325 0.278 3.342 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 2 . 517 . 1 1 14 ILE HD13 H 8.567 -0.804 1.971 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 2 . 518 . 1 1 14 ILE HG12 H 8.400 1.270 0.494 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 2 . 519 . 1 1 14 ILE HG13 H 9.834 1.154 1.496 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 2 . 520 . 1 1 14 ILE HG21 H 6.443 2.052 2.861 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 2 . 521 . 1 1 14 ILE HG22 H 6.493 2.514 1.160 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 2 . 522 . 1 1 14 ILE HG23 H 6.596 3.751 2.413 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 2 . 523 . 1 1 14 ILE N N 8.552 3.815 -0.005 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 2 . 524 . 1 1 14 ILE O O 11.205 2.839 1.107 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 2 . 525 . 1 1 15 ARG C C 7.896 4.869 -0.495 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 2 . 526 . 1 1 15 ARG CA C 7.497 4.783 -1.953 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 2 . 527 . 1 1 15 ARG CB C 8.210 5.898 -2.719 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 2 . 528 . 1 1 15 ARG CD C 8.691 6.799 -4.998 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 2 . 529 . 1 1 15 ARG CG C 7.889 5.773 -4.198 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 2 . 530 . 1 1 15 ARG CZ C 11.019 7.288 -5.481 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 2 . 531 . 1 1 15 ARG H H 5.511 5.318 -1.434 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 2 . 532 . 1 1 15 ARG HA H 7.845 3.842 -2.338 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 2 . 533 . 1 1 15 ARG HB2 H 7.874 6.858 -2.354 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 2 . 534 . 1 1 15 ARG HB3 H 9.272 5.809 -2.573 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 2 . 535 . 1 1 15 ARG HD2 H 8.409 6.741 -6.039 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 2 . 536 . 1 1 15 ARG HD3 H 8.477 7.790 -4.625 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 2 . 537 . 1 1 15 ARG HE H 10.418 5.766 -4.324 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 2 . 538 . 1 1 15 ARG HG2 H 8.131 4.779 -4.520 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 2 . 539 . 1 1 15 ARG HG3 H 6.842 5.957 -4.352 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 2 . 540 . 1 1 15 ARG HH11 H 9.658 8.512 -6.293 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 2 . 541 . 1 1 15 ARG HH12 H 11.310 8.878 -6.663 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 2 . 542 . 1 1 15 ARG HH21 H 12.587 6.238 -4.814 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 2 . 543 . 1 1 15 ARG HH22 H 12.967 7.592 -5.825 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 2 . 544 . 1 1 15 ARG N N 6.043 4.853 -2.112 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 2 . 545 . 1 1 15 ARG NE N 10.118 6.527 -4.869 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 2 . 546 . 1 1 15 ARG NH1 N 10.632 8.305 -6.202 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 2 . 547 . 1 1 15 ARG NH2 N 12.290 7.018 -5.364 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 2 . 548 . 1 1 15 ARG O O 7.636 5.872 0.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 2 . 549 . 1 1 16 ACE C C 5.424 4.296 -3.158 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 2 . 550 . 1 1 16 ACE CH3 C 3.907 4.445 -3.194 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 2 . 551 . 1 1 16 ACE H1 H 3.474 3.596 -3.703 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 2 . 552 . 1 1 16 ACE H2 H 3.646 5.351 -3.719 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 2 . 553 . 1 1 16 ACE H3 H 3.526 4.492 -2.185 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 2 . 554 . 1 1 16 ACE O O 6.023 3.700 -4.061 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 3 . 555 . 1 1 1 ACE C C 4.918 0.838 -2.213 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 3 . 556 . 1 1 1 ACE CH3 C 4.093 0.223 -3.340 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 3 . 557 . 1 1 1 ACE H1 H 4.725 0.057 -4.199 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 3 . 558 . 1 1 1 ACE H2 H 3.290 0.894 -3.606 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 3 . 559 . 1 1 1 ACE H3 H 3.681 -0.718 -3.009 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 3 . 560 . 1 1 1 ACE O O 4.390 1.553 -1.362 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 3 . 561 . 1 1 2 GLU C C 8.565 0.972 -1.623 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 3 . 562 . 1 1 2 GLU CA C 7.104 1.064 -1.178 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 3 . 563 . 1 1 2 GLU CB C 6.900 0.262 0.106 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 3 . 564 . 1 1 2 GLU CD C 6.983 -2.017 1.132 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 3 . 565 . 1 1 2 GLU CG C 7.204 -1.217 -0.148 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 3 . 566 . 1 1 2 GLU H H 6.579 -0.035 -2.906 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 3 . 567 . 1 1 2 GLU HA H 6.855 2.096 -0.986 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 3 . 568 . 1 1 2 GLU HB2 H 7.556 0.638 0.872 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 569 . 1 1 2 GLU HB3 H 5.875 0.363 0.429 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 570 . 1 1 2 GLU HG2 H 6.549 -1.591 -0.921 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 571 . 1 1 2 GLU HG3 H 8.230 -1.326 -0.462 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 572 . 1 1 2 GLU N N 6.216 0.545 -2.209 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 3 . 573 . 1 1 2 GLU O O 9.474 0.947 -0.798 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 3 . 574 . 1 1 2 GLU OE1 O 5.870 -2.006 1.631 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 3 . 575 . 1 1 2 GLU OE2 O 7.931 -2.631 1.596 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 3 . 576 . 1 1 3 ARG C C 10.980 2.002 -3.142 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 3 . 577 . 1 1 3 ARG CA C 10.131 0.811 -3.489 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 3 . 578 . 1 1 3 ARG CB C 10.103 0.621 -5.021 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 3 . 579 . 1 1 3 ARG CD C 8.344 -1.137 -4.679 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 3 . 580 . 1 1 3 ARG CG C 9.591 -0.777 -5.452 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 3 . 581 . 1 1 3 ARG CZ C 9.464 -2.487 -3.012 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 3 . 582 . 1 1 3 ARG H H 8.012 0.943 -3.545 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 3 . 583 . 1 1 3 ARG HA H 10.608 -0.054 -3.055 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 3 . 584 . 1 1 3 ARG HB2 H 9.468 1.374 -5.456 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 585 . 1 1 3 ARG HB3 H 11.109 0.746 -5.396 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 586 . 1 1 3 ARG HD2 H 7.641 -0.319 -4.709 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 587 . 1 1 3 ARG HD3 H 7.893 -2.021 -5.104 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 3 . 588 . 1 1 3 ARG HE H 8.657 -0.712 -2.639 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 3 . 589 . 1 1 3 ARG HG2 H 9.367 -0.767 -6.508 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 590 . 1 1 3 ARG HG3 H 10.357 -1.512 -5.255 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 591 . 1 1 3 ARG HH11 H 9.231 -3.321 -4.818 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 3 . 592 . 1 1 3 ARG HH12 H 10.166 -4.237 -3.684 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 3 . 593 . 1 1 3 ARG HH21 H 9.858 -1.898 -1.140 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 3 . 594 . 1 1 3 ARG HH22 H 10.522 -3.430 -1.599 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 3 . 595 . 1 1 3 ARG N N 8.777 0.918 -2.936 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 3 . 596 . 1 1 3 ARG NE N 8.755 -1.404 -3.310 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 3 . 597 . 1 1 3 ARG NH1 N 9.634 -3.421 -3.908 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 3 . 598 . 1 1 3 ARG NH2 N 9.989 -2.615 -1.824 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 3 . 599 . 1 1 3 ARG O O 10.513 3.026 -2.648 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 3 . 600 . 1 1 4 PHE C C 13.910 2.533 -1.793 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 3 . 601 . 1 1 4 PHE CA C 13.315 2.716 -3.177 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 3 . 602 . 1 1 4 PHE CB C 12.958 4.205 -3.366 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 3 . 603 . 1 1 4 PHE CD1 C 15.335 4.853 -3.944 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 3 . 604 . 1 1 4 PHE CD2 C 14.315 5.827 -1.974 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 3 . 605 . 1 1 4 PHE CE1 C 16.526 5.535 -3.662 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 3 . 606 . 1 1 4 PHE CE2 C 15.504 6.513 -1.694 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 3 . 607 . 1 1 4 PHE CG C 14.226 5.001 -3.101 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 3 . 608 . 1 1 4 PHE CZ C 16.610 6.365 -2.538 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 3 . 609 . 1 1 4 PHE H H 12.476 0.913 -3.782 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 3 . 610 . 1 1 4 PHE HA H 14.049 2.448 -3.889 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 3 . 611 . 1 1 4 PHE HB2 H 12.616 4.379 -4.377 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 612 . 1 1 4 PHE HB3 H 12.194 4.507 -2.664 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 613 . 1 1 4 PHE HD1 H 15.271 4.218 -4.815 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 3 . 614 . 1 1 4 PHE HD2 H 13.464 5.943 -1.328 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 615 . 1 1 4 PHE HE1 H 17.380 5.420 -4.311 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 3 . 616 . 1 1 4 PHE HE2 H 15.573 7.144 -0.817 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 3 . 617 . 1 1 4 PHE HZ H 17.527 6.891 -2.321 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 3 . 618 . 1 1 4 PHE N N 12.241 1.785 -3.405 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 3 . 619 . 1 1 4 PHE O O 13.458 3.149 -0.822 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 3 . 620 . 1 1 5 TYR C C 16.896 0.785 -0.597 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 3 . 621 . 1 1 5 TYR CA C 15.561 1.485 -0.416 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 3 . 622 . 1 1 5 TYR CB C 14.605 0.644 0.427 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 3 . 623 . 1 1 5 TYR CD1 C 15.444 -1.641 -0.135 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 3 . 624 . 1 1 5 TYR CD2 C 13.299 -0.940 -1.005 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 3 . 625 . 1 1 5 TYR CE1 C 15.326 -2.858 -0.796 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 3 . 626 . 1 1 5 TYR CE2 C 13.171 -2.158 -1.672 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 3 . 627 . 1 1 5 TYR CG C 14.429 -0.689 -0.231 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 3 . 628 . 1 1 5 TYR CZ C 14.186 -3.124 -1.570 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 3 . 629 . 1 1 5 TYR H H 15.268 1.238 -2.495 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 3 . 630 . 1 1 5 TYR HA H 15.719 2.429 0.063 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 3 . 631 . 1 1 5 TYR HB2 H 15.024 0.498 1.409 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 632 . 1 1 5 TYR HB3 H 13.649 1.139 0.503 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 633 . 1 1 5 TYR HD1 H 16.313 -1.443 0.473 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 3 . 634 . 1 1 5 TYR HD2 H 12.522 -0.194 -1.082 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 635 . 1 1 5 TYR HE1 H 16.114 -3.590 -0.706 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 3 . 636 . 1 1 5 TYR HE2 H 12.297 -2.346 -2.275 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 3 . 637 . 1 1 5 TYR HH H 14.752 -4.916 -1.905 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 3 . 638 . 1 1 5 TYR N N 14.933 1.700 -1.698 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 3 . 639 . 1 1 5 TYR O O 17.121 0.108 -1.600 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 3 . 640 . 1 1 5 TYR OH O 14.064 -4.330 -2.229 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 3 . 641 . 1 1 6 GLU C C 19.090 -0.707 1.547 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 3 . 642 . 1 1 6 GLU CA C 19.064 0.259 0.372 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 3 . 643 . 1 1 6 GLU CB C 20.177 1.323 0.463 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 3 . 644 . 1 1 6 GLU CD C 21.828 -0.236 1.570 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 3 . 645 . 1 1 6 GLU CG C 21.576 0.689 0.387 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 3 . 646 . 1 1 6 GLU H H 17.509 1.445 1.183 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 3 . 647 . 1 1 6 GLU HA H 19.180 -0.303 -0.547 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 3 . 648 . 1 1 6 GLU HB2 H 20.063 2.020 -0.353 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 649 . 1 1 6 GLU HB3 H 20.082 1.855 1.393 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 650 . 1 1 6 GLU HG2 H 21.659 0.124 -0.529 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 651 . 1 1 6 GLU HG3 H 22.318 1.475 0.386 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 652 . 1 1 6 GLU N N 17.761 0.916 0.398 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 3 . 653 . 1 1 6 GLU O O 19.299 -0.305 2.692 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 3 . 654 . 1 1 6 GLU OE1 O 21.756 0.239 2.691 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 3 . 655 . 1 1 6 GLU OE2 O 22.089 -1.403 1.337 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 3 . 656 . 1 1 7 LYS C C 19.986 -3.937 2.200 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 3 . 657 . 1 1 7 LYS CA C 18.785 -3.012 2.299 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 3 . 658 . 1 1 7 LYS CB C 17.486 -3.818 2.146 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 3 . 659 . 1 1 7 LYS CD C 16.074 -5.688 3.216 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 3 . 660 . 1 1 7 LYS CE C 15.861 -6.480 1.908 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 3 . 661 . 1 1 7 LYS CG C 17.402 -4.888 3.245 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 3 . 662 . 1 1 7 LYS H H 18.648 -2.233 0.330 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 3 . 663 . 1 1 7 LYS HA H 18.788 -2.543 3.270 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 3 . 664 . 1 1 7 LYS HB2 H 16.637 -3.153 2.215 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 665 . 1 1 7 LYS HB3 H 17.504 -4.289 1.184 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 666 . 1 1 7 LYS HD2 H 16.070 -6.382 4.042 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 667 . 1 1 7 LYS HD3 H 15.253 -4.997 3.342 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 3 . 668 . 1 1 7 LYS HE2 H 16.716 -7.117 1.739 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 3 . 669 . 1 1 7 LYS HE3 H 14.979 -7.097 2.012 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 3 . 670 . 1 1 7 LYS HG2 H 18.222 -5.578 3.129 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 671 . 1 1 7 LYS HG3 H 17.490 -4.403 4.203 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 672 . 1 1 7 LYS HZ1 H 16.545 -5.607 0.146 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 3 . 673 . 1 1 7 LYS HZ2 H 15.529 -4.603 1.070 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 3 . 674 . 1 1 7 LYS HZ3 H 14.874 -5.887 0.177 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 3 . 675 . 1 1 7 LYS N N 18.835 -1.983 1.258 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 3 . 676 . 1 1 7 LYS NZ N 15.692 -5.575 0.738 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 3 . 677 . 1 1 7 LYS O O 20.283 -4.484 1.138 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 3 . 678 . 1 1 8 . CAA C 24.335 -5.063 3.363 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 3 . 679 . 1 1 8 . CAB C 23.185 -3.805 1.554 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 3 . 680 . 1 1 8 . CAE C 21.854 -4.988 3.288 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 3 . 681 . 1 1 8 . CAF C 23.129 -4.180 3.037 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 3 . 682 . 1 1 8 . HAA H 24.149 -5.602 4.292 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 3 . 683 . 1 1 8 . HAB H 25.221 -4.439 3.476 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 3 . 684 . 1 1 8 . HAC H 24.493 -5.775 2.554 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 3 . 685 . 1 1 8 . HAD H 22.187 -3.535 1.207 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 3 . 686 . 1 1 8 . HAE H 23.553 -4.654 0.978 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 3 . 687 . 1 1 8 . HAF H 23.859 -2.959 1.422 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 3 . 688 . 1 1 8 . HAG H 21.748 -5.731 2.496 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 3 . 689 . 1 1 8 . HAH H 21.930 -5.498 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 3 . 690 . 1 1 8 . HAI H 20.401 -3.648 4.137 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 3 . 691 . 1 1 8 . HAL H 23.463 -2.108 3.458 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 3 . 692 . 1 1 8 . NAC N 20.674 -4.112 3.294 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 3 . 693 . 1 1 8 . NAD N 23.155 -2.966 3.867 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 3 . 694 . 1 1 9 DPR C C 22.811 -2.989 5.135 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 3 . 695 . 1 1 9 DPR CA C 22.897 -1.684 5.944 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 3 . 696 . 1 1 9 DPR CB C 23.661 -0.584 5.213 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 3 . 697 . 1 1 9 DPR CD C 21.795 0.425 6.435 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 3 . 698 . 1 1 9 DPR CG C 23.222 0.683 5.894 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 3 . 699 . 1 1 9 DPR HA H 23.393 -1.878 6.880 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 3 . 700 . 1 1 9 DPR HB2 H 24.729 -0.731 5.320 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 701 . 1 1 9 DPR HB3 H 23.385 -0.558 4.172 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 702 . 1 1 9 DPR HD2 H 21.739 0.655 7.492 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 703 . 1 1 9 DPR HD3 H 21.065 0.997 5.884 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 3 . 704 . 1 1 9 DPR HG2 H 23.896 0.915 6.711 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 705 . 1 1 9 DPR HG3 H 23.203 1.502 5.189 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 706 . 1 1 9 DPR N N 21.588 -1.016 6.205 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 3 . 707 . 1 1 9 DPR O O 22.453 -4.025 5.694 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 3 . 708 . 1 1 10 VAL C C 20.430 -1.639 6.208 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 3 . 709 . 1 1 10 VAL CA C 19.172 -0.812 6.559 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 3 . 710 . 1 1 10 VAL CB C 18.111 -1.719 7.206 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 3 . 711 . 1 1 10 VAL CG1 C 17.605 -2.770 6.205 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 3 . 712 . 1 1 10 VAL CG2 C 18.715 -2.414 8.431 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 3 . 713 . 1 1 10 VAL H H 18.689 -0.564 4.505 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 3 . 714 . 1 1 10 VAL HA H 19.442 -0.054 7.278 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 3 . 715 . 1 1 10 VAL HB H 17.276 -1.114 7.515 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 3 . 716 . 1 1 10 VAL HG11 H 17.586 -2.345 5.211 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 3 . 717 . 1 1 10 VAL HG12 H 16.603 -3.073 6.476 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 3 . 718 . 1 1 10 VAL HG13 H 18.248 -3.635 6.218 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 3 . 719 . 1 1 10 VAL HG21 H 19.256 -1.692 9.024 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 3 . 720 . 1 1 10 VAL HG22 H 19.389 -3.193 8.108 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 3 . 721 . 1 1 10 VAL HG23 H 17.924 -2.847 9.026 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 3 . 722 . 1 1 10 VAL N N 18.572 -0.165 5.393 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 3 . 723 . 1 1 10 VAL O O 20.352 -2.844 5.990 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 3 . 724 . 1 1 11 GLN C C 17.832 0.946 5.523 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 3 . 725 . 1 1 11 GLN CA C 17.223 1.501 4.239 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 3 . 726 . 1 1 11 GLN CB C 18.186 2.469 3.522 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 3 . 727 . 1 1 11 GLN CD C 18.861 3.590 5.679 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 3 . 728 . 1 1 11 GLN CG C 18.296 3.801 4.277 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 3 . 729 . 1 1 11 GLN H H 15.623 2.262 5.409 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 3 . 730 . 1 1 11 GLN HA H 17.038 0.664 3.577 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 3 . 731 . 1 1 11 GLN HB2 H 19.163 2.015 3.483 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 732 . 1 1 11 GLN HB3 H 17.842 2.656 2.517 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 733 . 1 1 11 GLN HE21 H 17.271 4.353 6.593 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 3 . 734 . 1 1 11 GLN HE22 H 18.512 3.817 7.620 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 3 . 735 . 1 1 11 GLN HG2 H 18.945 4.466 3.724 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 736 . 1 1 11 GLN HG3 H 17.314 4.247 4.348 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 737 . 1 1 11 GLN N N 15.939 2.158 4.488 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 3 . 738 . 1 1 11 GLN NE2 N 18.156 3.950 6.716 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 3 . 739 . 1 1 11 GLN O O 17.612 1.483 6.609 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 3 . 740 . 1 1 11 GLN OE1 O 19.972 3.084 5.831 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 3 . 741 . 1 1 12 LYS C C 15.206 2.635 3.493 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 3 . 742 . 1 1 12 LYS CA C 13.899 3.324 3.864 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 3 . 743 . 1 1 12 LYS CB C 12.898 2.315 4.437 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 3 . 744 . 1 1 12 LYS CD C 11.569 0.253 3.971 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 3 . 745 . 1 1 12 LYS CE C 11.234 -0.803 2.917 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 3 . 746 . 1 1 12 LYS CG C 12.580 1.245 3.392 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 3 . 747 . 1 1 12 LYS H H 13.630 3.664 1.792 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 3 . 748 . 1 1 12 LYS HA H 14.102 4.078 4.611 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 3 . 749 . 1 1 12 LYS HB2 H 13.323 1.847 5.314 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 750 . 1 1 12 LYS HB3 H 11.988 2.829 4.710 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 751 . 1 1 12 LYS HD2 H 11.992 -0.226 4.842 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 752 . 1 1 12 LYS HD3 H 10.668 0.778 4.250 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 3 . 753 . 1 1 12 LYS HE2 H 10.511 -1.497 3.320 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 3 . 754 . 1 1 12 LYS HE3 H 10.822 -0.322 2.043 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 3 . 755 . 1 1 12 LYS HG2 H 12.165 1.711 2.511 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 756 . 1 1 12 LYS HG3 H 13.482 0.718 3.131 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 757 . 1 1 12 LYS HZ1 H 12.899 -1.098 1.702 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 3 . 758 . 1 1 12 LYS HZ2 H 12.236 -2.531 2.328 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 3 . 759 . 1 1 12 LYS HZ3 H 13.151 -1.507 3.328 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 3 . 760 . 1 1 12 LYS N N 13.345 3.970 2.683 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 3 . 761 . 1 1 12 LYS NZ N 12.473 -1.541 2.541 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 3 . 762 . 1 1 12 LYS O O 15.551 2.561 2.322 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 3 . 763 . 1 1 13 PHE C C 12.472 4.964 2.770 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 3 . 764 . 1 1 13 PHE CA C 12.010 5.520 1.434 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 3 . 765 . 1 1 13 PHE CB C 12.065 7.057 1.465 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 3 . 766 . 1 1 13 PHE CD1 C 10.713 7.413 -0.653 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 3 . 767 . 1 1 13 PHE CD2 C 12.948 8.347 -0.518 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 3 . 768 . 1 1 13 PHE CE1 C 10.585 7.932 -1.949 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 3 . 769 . 1 1 13 PHE CE2 C 12.813 8.863 -1.811 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 3 . 770 . 1 1 13 PHE CG C 11.897 7.620 0.066 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 3 . 771 . 1 1 13 PHE CZ C 11.632 8.655 -2.525 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 3 . 772 . 1 1 13 PHE H H 10.543 4.527 0.262 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 3 . 773 . 1 1 13 PHE HA H 12.697 5.172 0.680 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 3 . 774 . 1 1 13 PHE HB2 H 11.270 7.427 2.094 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 775 . 1 1 13 PHE HB3 H 13.015 7.374 1.873 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 776 . 1 1 13 PHE HD1 H 9.900 6.858 -0.212 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 3 . 777 . 1 1 13 PHE HD2 H 13.864 8.511 0.031 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 778 . 1 1 13 PHE HE1 H 9.681 7.775 -2.503 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 3 . 779 . 1 1 13 PHE HE2 H 13.622 9.420 -2.258 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 3 . 780 . 1 1 13 PHE HZ H 11.526 9.052 -3.524 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 3 . 781 . 1 1 13 PHE N N 10.681 5.028 1.089 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 3 . 782 . 1 1 13 PHE O O 12.059 5.421 3.835 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 3 . 783 . 1 1 14 ILE C C 9.652 5.236 1.887 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 3 . 784 . 1 1 14 ILE CA C 8.322 4.651 1.426 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 3 . 785 . 1 1 14 ILE CB C 7.989 3.406 2.266 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 3 . 786 . 1 1 14 ILE CD1 C 7.447 2.537 4.547 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 3 . 787 . 1 1 14 ILE CG1 C 7.838 3.781 3.746 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 3 . 788 . 1 1 14 ILE CG2 C 9.129 2.395 2.144 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 3 . 789 . 1 1 14 ILE H H 9.055 3.643 -0.324 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 3 . 790 . 1 1 14 ILE HA H 7.559 5.389 1.580 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 3 . 791 . 1 1 14 ILE HB H 7.071 2.962 1.908 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 3 . 792 . 1 1 14 ILE HD11 H 7.097 2.835 5.524 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 3 . 793 . 1 1 14 ILE HD12 H 8.306 1.892 4.653 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 3 . 794 . 1 1 14 ILE HD13 H 6.661 2.007 4.029 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 3 . 795 . 1 1 14 ILE HG12 H 8.774 4.161 4.121 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 3 . 796 . 1 1 14 ILE HG13 H 7.071 4.532 3.853 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 3 . 797 . 1 1 14 ILE HG21 H 8.838 1.464 2.608 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 3 . 798 . 1 1 14 ILE HG22 H 10.009 2.779 2.638 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 3 . 799 . 1 1 14 ILE HG23 H 9.348 2.227 1.104 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 3 . 800 . 1 1 14 ILE N N 8.380 4.290 -0.004 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 3 . 801 . 1 1 14 ILE O O 9.743 5.855 2.947 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 3 . 802 . 1 1 15 ARG C C 7.526 4.817 -0.884 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 3 . 803 . 1 1 15 ARG CA C 7.688 4.360 -2.325 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 3 . 804 . 1 1 15 ARG CB C 8.534 5.369 -3.084 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 3 . 805 . 1 1 15 ARG CD C 9.611 5.864 -5.277 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 3 . 806 . 1 1 15 ARG CG C 8.782 4.845 -4.491 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 3 . 807 . 1 1 15 ARG CZ C 11.789 6.933 -5.125 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 3 . 808 . 1 1 15 ARG H H 5.710 4.907 -2.856 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 3 . 809 . 1 1 15 ARG HA H 8.205 3.415 -2.331 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 3 . 810 . 1 1 15 ARG HB2 H 8.011 6.312 -3.134 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 3 . 811 . 1 1 15 ARG HB3 H 9.479 5.497 -2.580 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 3 . 812 . 1 1 15 ARG HD2 H 9.770 5.496 -6.279 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 3 . 813 . 1 1 15 ARG HD3 H 9.075 6.801 -5.322 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 3 . 814 . 1 1 15 ARG HE H 11.115 5.579 -3.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 3 . 815 . 1 1 15 ARG HG2 H 9.315 3.910 -4.426 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 3 . 816 . 1 1 15 ARG HG3 H 7.837 4.687 -4.987 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 3 . 817 . 1 1 15 ARG HH11 H 10.653 7.450 -6.690 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 3 . 818 . 1 1 15 ARG HH12 H 12.194 8.237 -6.589 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 3 . 819 . 1 1 15 ARG HH21 H 13.125 6.624 -3.668 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 3 . 820 . 1 1 15 ARG HH22 H 13.595 7.765 -4.882 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 3 . 821 . 1 1 15 ARG N N 6.389 4.211 -2.982 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 3 . 822 . 1 1 15 ARG NE N 10.902 6.072 -4.632 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 3 . 823 . 1 1 15 ARG NH1 N 11.525 7.592 -6.220 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 3 . 824 . 1 1 15 ARG NH2 N 12.924 7.122 -4.510 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 3 . 825 . 1 1 15 ARG O O 6.650 5.624 -0.573 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 3 . 826 . 1 1 16 ACE C C 6.106 3.161 -3.750 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 3 . 827 . 1 1 16 ACE CH3 C 4.714 3.142 -4.374 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 3 . 828 . 1 1 16 ACE H1 H 4.584 4.021 -4.988 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 3 . 829 . 1 1 16 ACE H2 H 3.969 3.136 -3.591 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 3 . 830 . 1 1 16 ACE H3 H 4.604 2.258 -4.983 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 3 . 831 . 1 1 16 ACE O O 6.904 2.247 -3.960 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 4 . 832 . 1 1 1 ACE C C 7.621 3.431 -6.213 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 4 . 833 . 1 1 1 ACE CH3 C 6.142 3.762 -6.059 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 4 . 834 . 1 1 1 ACE H1 H 5.550 2.892 -6.311 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 4 . 835 . 1 1 1 ACE H2 H 5.884 4.576 -6.721 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 4 . 836 . 1 1 1 ACE H3 H 5.940 4.051 -5.039 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 4 . 837 . 1 1 1 ACE O O 8.133 3.333 -7.328 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 4 . 838 . 1 1 2 GLU C C 9.966 1.930 -3.949 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 4 . 839 . 1 1 2 GLU CA C 9.721 2.908 -5.095 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 4 . 840 . 1 1 2 GLU CB C 10.556 4.179 -4.943 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 4 . 841 . 1 1 2 GLU CD C 12.887 5.074 -4.900 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 4 . 842 . 1 1 2 GLU CG C 12.029 3.820 -5.040 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 4 . 843 . 1 1 2 GLU H H 7.845 3.317 -4.222 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 4 . 844 . 1 1 2 GLU HA H 9.973 2.424 -6.031 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 4 . 845 . 1 1 2 GLU HB2 H 10.300 4.875 -5.729 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 846 . 1 1 2 GLU HB3 H 10.358 4.629 -3.982 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 847 . 1 1 2 GLU HG2 H 12.269 3.123 -4.262 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 848 . 1 1 2 GLU HG3 H 12.218 3.363 -5.998 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 849 . 1 1 2 GLU N N 8.305 3.244 -5.084 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 4 . 850 . 1 1 2 GLU O O 9.497 2.153 -2.827 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 4 . 851 . 1 1 2 GLU OE1 O 12.726 5.970 -5.713 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 4 . 852 . 1 1 2 GLU OE2 O 13.697 5.121 -3.990 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 4 . 853 . 1 1 3 ARG C C 11.636 0.200 -2.084 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 4 . 854 . 1 1 3 ARG CA C 10.812 -0.252 -3.271 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 4 . 855 . 1 1 3 ARG CB C 11.506 -1.464 -3.915 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 4 . 856 . 1 1 3 ARG CD C 13.208 0.051 -5.069 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 4 . 857 . 1 1 3 ARG CG C 13.001 -1.198 -4.224 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 4 . 858 . 1 1 3 ARG CZ C 12.662 -0.930 -7.214 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 4 . 859 . 1 1 3 ARG H H 10.905 0.664 -5.183 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 4 . 860 . 1 1 3 ARG HA H 9.854 -0.549 -2.917 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 4 . 861 . 1 1 3 ARG HB2 H 11.433 -2.307 -3.248 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 862 . 1 1 3 ARG HB3 H 10.998 -1.705 -4.838 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 863 . 1 1 3 ARG HD2 H 12.932 0.920 -4.510 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 864 . 1 1 3 ARG HD3 H 14.255 0.126 -5.329 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 4 . 865 . 1 1 3 ARG HE H 11.693 0.604 -6.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 4 . 866 . 1 1 3 ARG HG2 H 13.538 -1.086 -3.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 867 . 1 1 3 ARG HG3 H 13.398 -2.046 -4.756 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 868 . 1 1 3 ARG HH11 H 14.289 -1.670 -6.311 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 4 . 869 . 1 1 3 ARG HH12 H 13.857 -2.423 -7.810 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 4 . 870 . 1 1 3 ARG HH21 H 11.110 -0.382 -8.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 4 . 871 . 1 1 3 ARG HH22 H 12.060 -1.694 -8.963 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 4 . 872 . 1 1 3 ARG N N 10.616 0.812 -4.257 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 4 . 873 . 1 1 3 ARG NE N 12.429 -0.016 -6.275 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 4 . 874 . 1 1 3 ARG NH1 N 13.682 -1.738 -7.103 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 4 . 875 . 1 1 3 ARG NH2 N 11.883 -1.008 -8.258 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 4 . 876 . 1 1 3 ARG O O 11.661 -0.475 -1.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 4 . 877 . 1 1 4 PHE C C 12.924 1.363 0.154 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 4 . 878 . 1 1 4 PHE CA C 13.211 1.916 -1.262 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 4 . 879 . 1 1 4 PHE CB C 12.940 3.417 -1.222 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 4 . 880 . 1 1 4 PHE CD1 C 15.300 4.214 -0.889 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 4 . 881 . 1 1 4 PHE CD2 C 13.653 4.761 0.794 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 4 . 882 . 1 1 4 PHE CE1 C 16.273 4.909 -0.164 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 4 . 883 . 1 1 4 PHE CE2 C 14.624 5.447 1.527 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 4 . 884 . 1 1 4 PHE CG C 13.986 4.147 -0.412 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 4 . 885 . 1 1 4 PHE CZ C 15.936 5.525 1.046 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 4 . 886 . 1 1 4 PHE H H 12.228 1.757 -3.127 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 4 . 887 . 1 1 4 PHE HA H 14.230 1.736 -1.554 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 4 . 888 . 1 1 4 PHE HB2 H 12.940 3.807 -2.220 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 889 . 1 1 4 PHE HB3 H 11.966 3.578 -0.778 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 890 . 1 1 4 PHE HD1 H 15.560 3.738 -1.823 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 4 . 891 . 1 1 4 PHE HD2 H 12.653 4.696 1.163 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 892 . 1 1 4 PHE HE1 H 17.287 4.961 -0.533 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 4 . 893 . 1 1 4 PHE HE2 H 14.359 5.921 2.461 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 4 . 894 . 1 1 4 PHE HZ H 16.687 6.062 1.606 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 4 . 895 . 1 1 4 PHE N N 12.314 1.317 -2.263 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 4 . 896 . 1 1 4 PHE O O 12.347 2.076 0.986 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 4 . 897 . 1 1 5 TYR C C 14.229 -0.779 2.541 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 4 . 898 . 1 1 5 TYR CA C 12.968 -0.519 1.729 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 4 . 899 . 1 1 5 TYR CB C 12.180 -1.837 1.521 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 4 . 900 . 1 1 5 TYR CD1 C 14.129 -3.414 1.372 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 4 . 901 . 1 1 5 TYR CD2 C 12.675 -3.205 -0.540 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 4 . 902 . 1 1 5 TYR CE1 C 14.925 -4.318 0.683 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 4 . 903 . 1 1 5 TYR CE2 C 13.466 -4.121 -1.239 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 4 . 904 . 1 1 5 TYR CG C 13.004 -2.857 0.771 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 4 . 905 . 1 1 5 TYR CZ C 14.596 -4.680 -0.628 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 4 . 906 . 1 1 5 TYR H H 13.697 -0.450 -0.276 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 4 . 907 . 1 1 5 TYR HA H 12.341 0.149 2.296 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 4 . 908 . 1 1 5 TYR HB2 H 11.915 -2.246 2.483 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 909 . 1 1 5 TYR HB3 H 11.280 -1.628 0.964 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 910 . 1 1 5 TYR HD1 H 14.364 -3.172 2.382 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 4 . 911 . 1 1 5 TYR HD2 H 11.803 -2.780 -1.006 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 912 . 1 1 5 TYR HE1 H 15.802 -4.724 1.165 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 4 . 913 . 1 1 5 TYR HE2 H 13.205 -4.394 -2.246 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 4 . 914 . 1 1 5 TYR HH H 15.588 -5.197 -2.176 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 4 . 915 . 1 1 5 TYR N N 13.273 0.091 0.421 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 4 . 916 . 1 1 5 TYR O O 15.313 -0.940 1.986 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 4 . 917 . 1 1 5 TYR OH O 15.384 -5.578 -1.318 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 4 . 918 . 1 1 6 GLU C C 16.451 -1.457 4.294 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 4 . 919 . 1 1 6 GLU CA C 15.095 -1.049 4.863 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 4 . 920 . 1 1 6 GLU CB C 14.619 -2.081 5.895 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 4 . 921 . 1 1 6 GLU CD C 13.759 -4.406 6.239 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 4 . 922 . 1 1 6 GLU CG C 14.226 -3.388 5.203 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 4 . 923 . 1 1 6 GLU H H 13.126 -0.666 4.189 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 4 . 924 . 1 1 6 GLU HA H 15.245 -0.129 5.378 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 4 . 925 . 1 1 6 GLU HB2 H 15.416 -2.277 6.597 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 926 . 1 1 6 GLU HB3 H 13.765 -1.689 6.427 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 927 . 1 1 6 GLU HG2 H 13.423 -3.195 4.508 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 928 . 1 1 6 GLU HG3 H 15.073 -3.787 4.670 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 929 . 1 1 6 GLU N N 14.035 -0.815 3.863 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 4 . 930 . 1 1 6 GLU O O 17.462 -0.924 4.712 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 4 . 931 . 1 1 6 GLU OE1 O 14.545 -4.738 7.110 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 4 . 932 . 1 1 6 GLU OE2 O 12.621 -4.839 6.145 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 4 . 933 . 1 1 7 LYS C C 17.663 -2.754 1.235 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 4 . 934 . 1 1 7 LYS CA C 17.742 -2.843 2.757 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 4 . 935 . 1 1 7 LYS CB C 18.052 -4.282 3.189 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 4 . 936 . 1 1 7 LYS CD C 18.534 -5.785 5.128 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 4 . 937 . 1 1 7 LYS CE C 18.724 -5.848 6.644 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 4 . 938 . 1 1 7 LYS CG C 18.233 -4.344 4.708 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 4 . 939 . 1 1 7 LYS H H 15.644 -2.774 3.086 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 4 . 940 . 1 1 7 LYS HA H 18.545 -2.207 3.079 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 4 . 941 . 1 1 7 LYS HB2 H 17.242 -4.931 2.904 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 942 . 1 1 7 LYS HB3 H 18.962 -4.612 2.709 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 943 . 1 1 7 LYS HD2 H 17.709 -6.421 4.841 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 944 . 1 1 7 LYS HD3 H 19.435 -6.121 4.638 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 4 . 945 . 1 1 7 LYS HE2 H 18.948 -6.865 6.937 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 4 . 946 . 1 1 7 LYS HE3 H 19.541 -5.204 6.933 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 4 . 947 . 1 1 7 LYS HG2 H 19.054 -3.706 5.000 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 948 . 1 1 7 LYS HG3 H 17.330 -4.011 5.194 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 949 . 1 1 7 LYS HZ1 H 17.136 -6.153 7.957 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 4 . 950 . 1 1 7 LYS HZ2 H 16.746 -5.198 6.606 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 4 . 951 . 1 1 7 LYS HZ3 H 17.666 -4.544 7.875 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 4 . 952 . 1 1 7 LYS N N 16.479 -2.388 3.367 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 4 . 953 . 1 1 7 LYS NZ N 17.474 -5.402 7.322 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 4 . 954 . 1 1 7 LYS O O 16.625 -2.408 0.678 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 4 . 955 . 1 1 8 . CAA C 20.891 -4.124 -1.190 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 4 . 956 . 1 1 8 . CAB C 20.000 -2.703 -3.017 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 4 . 957 . 1 1 8 . CAE C 18.713 -2.958 -0.910 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 4 . 958 . 1 1 8 . CAF C 20.121 -2.838 -1.497 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 4 . 959 . 1 1 8 . HAA H 20.566 -4.521 -0.228 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 4 . 960 . 1 1 8 . HAB H 21.959 -3.907 -1.151 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 4 . 961 . 1 1 8 . HAC H 20.699 -4.860 -1.969 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 4 . 962 . 1 1 8 . HAD H 19.490 -3.576 -3.422 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 4 . 963 . 1 1 8 . HAE H 20.995 -2.626 -3.455 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 4 . 964 . 1 1 8 . HAF H 19.431 -1.804 -3.254 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 4 . 965 . 1 1 8 . HAG H 18.135 -2.083 -1.208 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 4 . 966 . 1 1 8 . HAH H 18.234 -3.853 -1.305 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 4 . 967 . 1 1 8 . HAI H 19.585 -3.298 1.034 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 4 . 968 . 1 1 8 . HAL H 20.737 -0.797 -1.455 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 4 . 969 . 1 1 8 . NAC N 18.744 -3.038 0.558 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 4 . 970 . 1 1 8 . NAD N 20.805 -1.657 -0.950 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 4 . 971 . 1 1 9 DPR C C 21.501 -1.684 0.170 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 4 . 972 . 1 1 9 DPR CA C 22.172 -0.382 0.641 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 4 . 973 . 1 1 9 DPR CB C 22.159 0.704 -0.435 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 4 . 974 . 1 1 9 DPR CD C 21.522 1.748 1.662 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 4 . 975 . 1 1 9 DPR CG C 22.265 1.983 0.334 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 4 . 976 . 1 1 9 DPR HA H 23.190 -0.578 0.937 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 4 . 977 . 1 1 9 DPR HB2 H 23.003 0.584 -1.103 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 978 . 1 1 9 DPR HB3 H 21.234 0.686 -0.985 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 979 . 1 1 9 DPR HD2 H 22.089 2.156 2.490 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 980 . 1 1 9 DPR HD3 H 20.532 2.179 1.631 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 4 . 981 . 1 1 9 DPR HG2 H 23.308 2.215 0.522 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 982 . 1 1 9 DPR HG3 H 21.797 2.790 -0.210 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 983 . 1 1 9 DPR N N 21.434 0.276 1.762 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 4 . 984 . 1 1 9 DPR O O 21.632 -2.709 0.840 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 4 . 985 . 1 1 10 VAL C C 20.807 -0.408 2.694 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 4 . 986 . 1 1 10 VAL CA C 20.065 0.352 3.796 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 4 . 987 . 1 1 10 VAL CB C 20.107 -0.510 5.071 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 4 . 988 . 1 1 10 VAL CG1 C 21.561 -0.728 5.483 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 4 . 989 . 1 1 10 VAL CG2 C 19.325 0.162 6.220 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 4 . 990 . 1 1 10 VAL H H 18.195 -0.153 2.946 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 4 . 991 . 1 1 10 VAL HA H 20.553 1.294 3.992 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 4 . 992 . 1 1 10 VAL HB H 19.677 -1.472 4.862 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 4 . 993 . 1 1 10 VAL HG11 H 22.022 -1.422 4.794 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 4 . 994 . 1 1 10 VAL HG12 H 21.593 -1.136 6.482 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 4 . 995 . 1 1 10 VAL HG13 H 22.088 0.212 5.457 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 4 . 996 . 1 1 10 VAL HG21 H 18.909 -0.604 6.862 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 4 . 997 . 1 1 10 VAL HG22 H 18.524 0.760 5.823 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 4 . 998 . 1 1 10 VAL HG23 H 19.985 0.793 6.797 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 4 . 999 . 1 1 10 VAL N N 18.683 0.583 3.372 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 4 . 1000 . 1 1 10 VAL O O 20.794 -1.637 2.689 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 4 . 1001 . 1 1 11 GLN C C 18.058 1.754 3.528 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 4 . 1002 . 1 1 11 GLN CA C 16.621 1.794 3.008 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 4 . 1003 . 1 1 11 GLN CB C 16.633 2.225 1.543 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 4 . 1004 . 1 1 11 GLN CD C 17.461 1.671 -0.761 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 4 . 1005 . 1 1 11 GLN CG C 17.461 1.240 0.703 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 4 . 1006 . 1 1 11 GLN H H 16.202 3.376 4.364 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 4 . 1007 . 1 1 11 GLN HA H 16.213 0.810 3.073 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 4 . 1008 . 1 1 11 GLN HB2 H 15.622 2.262 1.168 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 1009 . 1 1 11 GLN HB3 H 17.079 3.200 1.481 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 1010 . 1 1 11 GLN HE21 H 16.640 -0.016 -1.412 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 4 . 1011 . 1 1 11 GLN HE22 H 16.988 1.133 -2.612 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 4 . 1012 . 1 1 11 GLN HG2 H 18.478 1.220 1.061 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 1013 . 1 1 11 GLN HG3 H 17.034 0.252 0.783 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 1014 . 1 1 11 GLN N N 15.782 2.698 3.794 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 4 . 1015 . 1 1 11 GLN NE2 N 16.991 0.863 -1.670 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 4 . 1016 . 1 1 11 GLN O O 18.582 2.743 4.043 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 4 . 1017 . 1 1 11 GLN OE1 O 17.905 2.771 -1.085 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 4 . 1018 . 1 1 12 LYS C C 14.444 2.600 3.753 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 4 . 1019 . 1 1 12 LYS CA C 13.668 3.587 4.629 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 4 . 1020 . 1 1 12 LYS CB C 13.188 2.859 5.899 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 4 . 1021 . 1 1 12 LYS CD C 11.670 1.086 6.799 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 4 . 1022 . 1 1 12 LYS CE C 10.622 0.035 6.429 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 4 . 1023 . 1 1 12 LYS CG C 12.158 1.788 5.530 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 4 . 1024 . 1 1 12 LYS H H 12.361 3.989 2.976 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 4 . 1025 . 1 1 12 LYS HA H 14.343 4.375 4.929 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 4 . 1026 . 1 1 12 LYS HB2 H 14.035 2.382 6.371 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 1027 . 1 1 12 LYS HB3 H 12.750 3.556 6.589 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 1028 . 1 1 12 LYS HD2 H 12.505 0.607 7.289 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 1029 . 1 1 12 LYS HD3 H 11.229 1.812 7.466 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 4 . 1030 . 1 1 12 LYS HE2 H 10.270 -0.453 7.324 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 4 . 1031 . 1 1 12 LYS HE3 H 9.791 0.514 5.931 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 4 . 1032 . 1 1 12 LYS HG2 H 11.320 2.251 5.030 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 1033 . 1 1 12 LYS HG3 H 12.609 1.060 4.876 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 1034 . 1 1 12 LYS HZ1 H 10.789 -1.900 5.682 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 4 . 1035 . 1 1 12 LYS HZ2 H 12.251 -1.038 5.707 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 4 . 1036 . 1 1 12 LYS HZ3 H 11.077 -0.689 4.530 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 4 . 1037 . 1 1 12 LYS N N 12.524 4.203 3.918 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 4 . 1038 . 1 1 12 LYS NZ N 11.231 -0.974 5.519 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 4 . 1039 . 1 1 12 LYS O O 13.857 1.759 3.071 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 4 . 1040 . 1 1 13 PHE C C 11.709 5.057 4.542 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 4 . 1041 . 1 1 13 PHE CA C 10.537 5.669 3.757 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 4 . 1042 . 1 1 13 PHE CB C 9.196 5.079 4.246 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 4 . 1043 . 1 1 13 PHE CD1 C 9.837 3.029 2.820 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 4 . 1044 . 1 1 13 PHE CD2 C 7.746 3.042 4.048 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 4 . 1045 . 1 1 13 PHE CE1 C 9.533 1.774 2.317 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 4 . 1046 . 1 1 13 PHE CE2 C 7.442 1.781 3.532 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 4 . 1047 . 1 1 13 PHE CG C 8.940 3.680 3.697 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 4 . 1048 . 1 1 13 PHE CZ C 8.333 1.146 2.664 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 4 . 1049 . 1 1 13 PHE H H 11.424 5.137 1.922 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 4 . 1050 . 1 1 13 PHE HA H 10.534 6.703 3.983 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 4 . 1051 . 1 1 13 PHE HB2 H 9.216 5.018 5.326 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 1052 . 1 1 13 PHE HB3 H 8.381 5.725 3.957 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 1053 . 1 1 13 PHE HD1 H 10.766 3.471 2.544 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 4 . 1054 . 1 1 13 PHE HD2 H 7.052 3.530 4.718 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 1055 . 1 1 13 PHE HE1 H 10.225 1.298 1.644 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 4 . 1056 . 1 1 13 PHE HE2 H 6.522 1.297 3.807 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 4 . 1057 . 1 1 13 PHE HZ H 8.093 0.174 2.262 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 4 . 1058 . 1 1 13 PHE N N 10.647 5.569 2.303 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 4 . 1059 . 1 1 13 PHE O O 11.869 5.382 5.715 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 4 . 1060 . 1 1 14 ILE C C 9.694 6.030 1.487 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 4 . 1061 . 1 1 14 ILE CA C 9.931 5.832 -0.015 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 4 . 1062 . 1 1 14 ILE CB C 9.710 7.152 -0.795 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 4 . 1063 . 1 1 14 ILE CD1 C 10.625 8.675 1.092 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 4 . 1064 . 1 1 14 ILE CG1 C 10.722 8.263 -0.386 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 4 . 1065 . 1 1 14 ILE CG2 C 8.270 7.658 -0.579 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 4 . 1066 . 1 1 14 ILE H H 9.152 4.507 -1.508 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 4 . 1067 . 1 1 14 ILE HA H 10.947 5.519 -0.164 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 4 . 1068 . 1 1 14 ILE HB H 9.839 6.939 -1.850 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 4 . 1069 . 1 1 14 ILE HD11 H 10.972 9.693 1.195 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 4 . 1070 . 1 1 14 ILE HD12 H 11.249 8.030 1.693 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 4 . 1071 . 1 1 14 ILE HD13 H 9.603 8.616 1.425 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 4 . 1072 . 1 1 14 ILE HG12 H 11.722 7.905 -0.575 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 4 . 1073 . 1 1 14 ILE HG13 H 10.546 9.133 -1.003 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 4 . 1074 . 1 1 14 ILE HG21 H 7.977 8.274 -1.418 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 4 . 1075 . 1 1 14 ILE HG22 H 8.216 8.242 0.325 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 4 . 1076 . 1 1 14 ILE HG23 H 7.596 6.817 -0.502 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 4 . 1077 . 1 1 14 ILE N N 9.021 4.797 -0.575 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 4 . 1078 . 1 1 14 ILE O O 8.665 6.569 1.890 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 4 . 1079 . 1 1 15 ARG C C 8.012 4.240 0.105 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 4 . 1080 . 1 1 15 ARG CA C 7.186 3.226 -0.677 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 4 . 1081 . 1 1 15 ARG CB C 5.710 3.366 -0.300 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 4 . 1082 . 1 1 15 ARG CD C 5.308 5.371 -1.859 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 4 . 1083 . 1 1 15 ARG CG C 5.203 4.821 -0.427 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 4 . 1084 . 1 1 15 ARG CZ C 6.996 5.962 -3.500 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 4 . 1085 . 1 1 15 ARG H H 7.859 1.598 0.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 4 . 1086 . 1 1 15 ARG HA H 7.296 3.418 -1.728 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 4 . 1087 . 1 1 15 ARG HB2 H 5.123 2.732 -0.948 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 4 . 1088 . 1 1 15 ARG HB3 H 5.582 3.034 0.722 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 4 . 1089 . 1 1 15 ARG HD2 H 4.787 4.707 -2.530 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 4 . 1090 . 1 1 15 ARG HD3 H 4.840 6.345 -1.896 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 4 . 1091 . 1 1 15 ARG HE H 7.417 5.213 -1.690 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 4 . 1092 . 1 1 15 ARG HG2 H 4.171 4.859 -0.118 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 4 . 1093 . 1 1 15 ARG HG3 H 5.784 5.453 0.230 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 4 . 1094 . 1 1 15 ARG HH11 H 5.089 6.281 -4.017 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 4 . 1095 . 1 1 15 ARG HH12 H 6.270 6.703 -5.212 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 4 . 1096 . 1 1 15 ARG HH21 H 8.973 5.768 -3.256 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 4 . 1097 . 1 1 15 ARG HH22 H 8.466 6.414 -4.782 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 4 . 1098 . 1 1 15 ARG N N 7.613 1.854 -0.411 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 4 . 1099 . 1 1 15 ARG NE N 6.695 5.488 -2.295 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 4 . 1100 . 1 1 15 ARG NH1 N 6.044 6.344 -4.307 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 4 . 1101 . 1 1 15 ARG NH2 N 8.243 6.054 -3.875 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 4 . 1102 . 1 1 15 ARG O O 7.718 4.516 1.266 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 4 . 1103 . 1 1 16 ACE C C 7.661 0.943 -1.380 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 4 . 1104 . 1 1 16 ACE CH3 C 8.108 -0.453 -0.963 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 4 . 1105 . 1 1 16 ACE H1 H 9.159 -0.439 -0.715 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 4 . 1106 . 1 1 16 ACE H2 H 7.934 -1.145 -1.773 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 4 . 1107 . 1 1 16 ACE H3 H 7.541 -0.766 -0.098 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 4 . 1108 . 1 1 16 ACE O O 7.358 1.195 -2.552 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 5 . 1109 . 1 1 1 ACE C C 6.160 0.599 -5.189 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 5 . 1110 . 1 1 1 ACE CH3 C 4.794 1.273 -5.229 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 5 . 1111 . 1 1 1 ACE H1 H 4.480 1.513 -4.224 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 5 . 1112 . 1 1 1 ACE H2 H 4.076 0.602 -5.678 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 5 . 1113 . 1 1 1 ACE H3 H 4.856 2.176 -5.815 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 5 . 1114 . 1 1 1 ACE O O 6.333 -0.500 -5.719 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 5 . 1115 . 1 1 2 GLU C C 8.994 0.731 -3.016 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 5 . 1116 . 1 1 2 GLU CA C 8.493 0.706 -4.456 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 5 . 1117 . 1 1 2 GLU CB C 9.462 1.502 -5.331 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 5 . 1118 . 1 1 2 GLU CD C 9.982 2.227 -7.663 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 5 . 1119 . 1 1 2 GLU CG C 9.010 1.443 -6.789 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 5 . 1120 . 1 1 2 GLU H H 6.938 2.135 -4.155 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 5 . 1121 . 1 1 2 GLU HA H 8.488 -0.321 -4.798 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 5 . 1122 . 1 1 2 GLU HB2 H 9.482 2.526 -5.002 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1123 . 1 1 2 GLU HB3 H 10.450 1.077 -5.248 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1124 . 1 1 2 GLU HG2 H 8.981 0.414 -7.114 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1125 . 1 1 2 GLU HG3 H 8.024 1.875 -6.876 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1126 . 1 1 2 GLU N N 7.134 1.260 -4.558 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 5 . 1127 . 1 1 2 GLU O O 8.743 1.677 -2.266 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 5 . 1128 . 1 1 2 GLU OE1 O 11.150 1.872 -7.680 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1129 . 1 1 2 GLU OE2 O 9.546 3.170 -8.301 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1130 . 1 1 3 ARG C C 11.388 0.568 -1.121 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 5 . 1131 . 1 1 3 ARG CA C 10.270 -0.436 -1.304 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 5 . 1132 . 1 1 3 ARG CB C 10.880 -1.826 -1.131 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 5 . 1133 . 1 1 3 ARG CD C 10.502 -4.263 -1.256 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 5 . 1134 . 1 1 3 ARG CG C 9.820 -2.902 -1.331 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 5 . 1135 . 1 1 3 ARG CZ C 12.254 -5.449 -2.450 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 5 . 1136 . 1 1 3 ARG H H 9.879 -1.038 -3.293 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 5 . 1137 . 1 1 3 ARG HA H 9.512 -0.277 -0.573 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 5 . 1138 . 1 1 3 ARG HB2 H 11.670 -1.963 -1.856 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1139 . 1 1 3 ARG HB3 H 11.293 -1.914 -0.136 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1140 . 1 1 3 ARG HD2 H 10.969 -4.380 -0.290 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1141 . 1 1 3 ARG HD3 H 9.769 -5.042 -1.398 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 5 . 1142 . 1 1 3 ARG HE H 11.680 -3.577 -2.888 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 5 . 1143 . 1 1 3 ARG HG2 H 9.071 -2.824 -0.554 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1144 . 1 1 3 ARG HG3 H 9.356 -2.783 -2.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1145 . 1 1 3 ARG HH11 H 11.319 -6.454 -0.992 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 5 . 1146 . 1 1 3 ARG HH12 H 12.589 -7.312 -1.799 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 5 . 1147 . 1 1 3 ARG HH21 H 13.348 -4.700 -3.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 5 . 1148 . 1 1 3 ARG HH22 H 13.739 -6.319 -3.475 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 5 . 1149 . 1 1 3 ARG N N 9.712 -0.322 -2.645 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 5 . 1150 . 1 1 3 ARG NE N 11.519 -4.353 -2.301 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 5 . 1151 . 1 1 3 ARG NH1 N 12.038 -6.486 -1.688 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 5 . 1152 . 1 1 3 ARG NH2 N 13.186 -5.492 -3.363 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 5 . 1153 . 1 1 3 ARG O O 11.578 1.147 -0.051 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 5 . 1154 . 1 1 4 PHE C C 14.017 1.602 -0.860 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 5 . 1155 . 1 1 4 PHE CA C 13.337 1.552 -2.229 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 5 . 1156 . 1 1 4 PHE CB C 13.036 3.008 -2.641 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 5 . 1157 . 1 1 4 PHE CD1 C 15.310 3.400 -3.666 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1158 . 1 1 4 PHE CD2 C 14.669 4.698 -1.727 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1159 . 1 1 4 PHE CE1 C 16.557 4.034 -3.678 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1160 . 1 1 4 PHE CE2 C 15.916 5.337 -1.739 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1161 . 1 1 4 PHE CG C 14.361 3.738 -2.693 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 5 . 1162 . 1 1 4 PHE CZ C 16.860 5.006 -2.717 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 5 . 1163 . 1 1 4 PHE H H 11.936 0.153 -2.969 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 5 . 1164 . 1 1 4 PHE HA H 14.029 1.124 -2.940 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 5 . 1165 . 1 1 4 PHE HB2 H 12.568 3.035 -3.615 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1166 . 1 1 4 PHE HB3 H 12.390 3.487 -1.916 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1167 . 1 1 4 PHE HD1 H 15.073 2.659 -4.416 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1168 . 1 1 4 PHE HD2 H 13.943 4.937 -0.968 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1169 . 1 1 4 PHE HE1 H 17.288 3.773 -4.429 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1170 . 1 1 4 PHE HE2 H 16.151 6.082 -0.993 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1171 . 1 1 4 PHE HZ H 17.823 5.493 -2.725 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 5 . 1172 . 1 1 4 PHE N N 12.154 0.696 -2.188 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 5 . 1173 . 1 1 4 PHE O O 14.081 2.669 -0.250 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 5 . 1174 . 1 1 5 TYR C C 16.723 0.281 0.741 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 5 . 1175 . 1 1 5 TYR CA C 15.217 0.472 0.930 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 5 . 1176 . 1 1 5 TYR CB C 14.683 -0.630 1.867 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 5 . 1177 . 1 1 5 TYR CD1 C 15.415 -2.350 0.080 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1178 . 1 1 5 TYR CD2 C 14.549 -3.093 2.215 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1179 . 1 1 5 TYR CE1 C 15.603 -3.680 -0.297 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1180 . 1 1 5 TYR CE2 C 14.742 -4.417 1.832 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1181 . 1 1 5 TYR CG C 14.889 -2.050 1.354 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 5 . 1182 . 1 1 5 TYR CZ C 15.274 -4.715 0.578 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 5 . 1183 . 1 1 5 TYR H H 14.468 -0.356 -0.892 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 5 . 1184 . 1 1 5 TYR HA H 15.062 1.422 1.413 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 5 . 1185 . 1 1 5 TYR HB2 H 15.182 -0.546 2.819 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1186 . 1 1 5 TYR HB3 H 13.626 -0.471 2.021 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1187 . 1 1 5 TYR HD1 H 15.662 -1.572 -0.615 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1188 . 1 1 5 TYR HD2 H 14.145 -2.871 3.190 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1189 . 1 1 5 TYR HE1 H 16.030 -3.904 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1190 . 1 1 5 TYR HE2 H 14.485 -5.206 2.509 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1191 . 1 1 5 TYR HH H 16.120 -6.048 -0.495 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 5 . 1192 . 1 1 5 TYR N N 14.533 0.471 -0.373 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 5 . 1193 . 1 1 5 TYR O O 17.218 -0.837 0.818 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 5 . 1194 . 1 1 5 TYR OH O 15.461 -6.030 0.203 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 5 . 1195 . 1 1 6 GLU C C 19.474 0.048 0.961 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 5 . 1196 . 1 1 6 GLU CA C 18.920 1.329 0.308 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 5 . 1197 . 1 1 6 GLU CB C 19.537 2.624 0.876 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 5 . 1198 . 1 1 6 GLU CD C 21.775 1.600 1.320 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 5 . 1199 . 1 1 6 GLU CG C 21.041 2.707 0.601 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 5 . 1200 . 1 1 6 GLU H H 17.004 2.257 0.491 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 5 . 1201 . 1 1 6 GLU HA H 19.116 1.284 -0.754 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 5 . 1202 . 1 1 6 GLU HB2 H 19.050 3.473 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1203 . 1 1 6 GLU HB3 H 19.368 2.654 1.942 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1204 . 1 1 6 GLU HG2 H 21.214 2.616 -0.462 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1205 . 1 1 6 GLU HG3 H 21.414 3.663 0.941 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1206 . 1 1 6 GLU N N 17.455 1.386 0.518 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 5 . 1207 . 1 1 6 GLU O O 19.143 -0.255 2.108 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 5 . 1208 . 1 1 6 GLU OE1 O 21.669 1.553 2.534 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1209 . 1 1 6 GLU OE2 O 22.423 0.816 0.649 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1210 . 1 1 7 LYS C C 22.148 -2.046 1.060 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 5 . 1211 . 1 1 7 LYS CA C 20.680 -2.069 0.688 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 5 . 1212 . 1 1 7 LYS CB C 20.506 -3.184 -0.364 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 5 . 1213 . 1 1 7 LYS CD C 18.509 -2.100 -1.683 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 5 . 1214 . 1 1 7 LYS CE C 19.336 -1.784 -2.947 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 5 . 1215 . 1 1 7 LYS CG C 19.053 -3.324 -0.883 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 5 . 1216 . 1 1 7 LYS H H 20.386 -0.518 -0.745 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 5 . 1217 . 1 1 7 LYS HA H 20.106 -2.337 1.565 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 5 . 1218 . 1 1 7 LYS HB2 H 21.173 -3.020 -1.182 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1219 . 1 1 7 LYS HB3 H 20.784 -4.119 0.103 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1220 . 1 1 7 LYS HD2 H 17.503 -2.321 -1.997 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1221 . 1 1 7 LYS HD3 H 18.477 -1.237 -1.059 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 5 . 1222 . 1 1 7 LYS HE2 H 19.395 -2.669 -3.559 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1223 . 1 1 7 LYS HE3 H 18.839 -1.003 -3.505 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 5 . 1224 . 1 1 7 LYS HG2 H 19.003 -4.191 -1.523 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1225 . 1 1 7 LYS HG3 H 18.406 -3.492 -0.030 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1226 . 1 1 7 LYS HZ1 H 20.916 -0.438 -3.079 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 5 . 1227 . 1 1 7 LYS HZ2 H 21.400 -2.058 -2.922 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 5 . 1228 . 1 1 7 LYS HZ3 H 20.797 -1.209 -1.579 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 5 . 1229 . 1 1 7 LYS N N 20.222 -0.763 0.188 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 5 . 1230 . 1 1 7 LYS NZ N 20.716 -1.340 -2.604 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 5 . 1231 . 1 1 7 LYS O O 22.980 -1.459 0.368 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 5 . 1232 . 1 1 8 . CAA C 25.654 -1.284 3.626 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 5 . 1233 . 1 1 8 . CAB C 23.577 -0.237 2.742 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 5 . 1234 . 1 1 8 . CAE C 23.861 -2.688 2.634 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 5 . 1235 . 1 1 8 . CAF C 24.139 -1.449 3.487 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 5 . 1236 . 1 1 8 . HAA H 26.080 -2.197 4.043 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 5 . 1237 . 1 1 8 . HAB H 25.869 -0.446 4.290 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 5 . 1238 . 1 1 8 . HAC H 26.091 -1.094 2.646 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 5 . 1239 . 1 1 8 . HAD H 23.808 0.676 3.292 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 5 . 1240 . 1 1 8 . HAE H 22.496 -0.347 2.651 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 5 . 1241 . 1 1 8 . HAF H 24.016 -0.189 1.745 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 5 . 1242 . 1 1 8 . HAG H 24.535 -2.686 1.778 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 5 . 1243 . 1 1 8 . HAH H 24.030 -3.587 3.227 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 5 . 1244 . 1 1 8 . HAI H 21.756 -3.117 2.708 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 5 . 1245 . 1 1 8 . HAL H 23.760 -0.829 5.486 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 5 . 1246 . 1 1 8 . NAC N 22.468 -2.668 2.166 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 5 . 1247 . 1 1 8 . NAD N 23.512 -1.527 4.814 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 5 . 1248 . 1 1 9 DPR C C 22.636 -2.452 5.168 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 5 . 1249 . 1 1 9 DPR CA C 22.079 -2.353 6.592 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 5 . 1250 . 1 1 9 DPR CB C 22.797 -1.300 7.435 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 5 . 1251 . 1 1 9 DPR CD C 20.418 -1.136 7.900 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 5 . 1252 . 1 1 9 DPR CG C 21.819 -0.982 8.522 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 5 . 1253 . 1 1 9 DPR HA H 22.153 -3.309 7.083 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 5 . 1254 . 1 1 9 DPR HB2 H 23.714 -1.701 7.842 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1255 . 1 1 9 DPR HB3 H 22.992 -0.415 6.853 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1256 . 1 1 9 DPR HD2 H 19.773 -1.713 8.551 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1257 . 1 1 9 DPR HD3 H 19.979 -0.171 7.693 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 5 . 1258 . 1 1 9 DPR HG2 H 21.945 -1.677 9.345 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1259 . 1 1 9 DPR HG3 H 21.958 0.032 8.869 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1260 . 1 1 9 DPR N N 20.667 -1.862 6.638 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 5 . 1261 . 1 1 9 DPR O O 22.257 -3.357 4.426 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 5 . 1262 . 1 1 10 VAL C C 19.793 -2.062 5.663 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 5 . 1263 . 1 1 10 VAL CA C 18.364 -1.529 5.839 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 5 . 1264 . 1 1 10 VAL CB C 17.380 -2.549 5.262 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 5 . 1265 . 1 1 10 VAL CG1 C 17.600 -3.909 5.926 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 5 . 1266 . 1 1 10 VAL CG2 C 15.955 -2.079 5.551 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1267 . 1 1 10 VAL H H 18.192 -0.210 4.180 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 5 . 1268 . 1 1 10 VAL HA H 18.147 -1.419 6.890 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 5 . 1269 . 1 1 10 VAL HB H 17.526 -2.635 4.194 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 5 . 1270 . 1 1 10 VAL HG11 H 17.667 -3.782 6.997 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 5 . 1271 . 1 1 10 VAL HG12 H 18.516 -4.346 5.558 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 5 . 1272 . 1 1 10 VAL HG13 H 16.771 -4.561 5.693 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 5 . 1273 . 1 1 10 VAL HG21 H 15.255 -2.837 5.239 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 5 . 1274 . 1 1 10 VAL HG22 H 15.760 -1.164 5.013 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 5 . 1275 . 1 1 10 VAL HG23 H 15.845 -1.902 6.612 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 5 . 1276 . 1 1 10 VAL N N 18.165 -0.241 5.160 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 5 . 1277 . 1 1 10 VAL O O 20.091 -2.676 4.639 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 5 . 1278 . 1 1 11 GLN C C 17.926 0.885 5.837 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 5 . 1279 . 1 1 11 GLN CA C 17.708 2.148 5.004 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 5 . 1280 . 1 1 11 GLN CB C 18.578 3.278 5.556 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 5 . 1281 . 1 1 11 GLN CD C 19.223 5.676 5.284 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 5 . 1282 . 1 1 11 GLN CG C 18.359 4.549 4.731 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 5 . 1283 . 1 1 11 GLN H H 15.845 2.520 5.932 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 5 . 1284 . 1 1 11 GLN HA H 17.988 1.950 3.978 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 5 . 1285 . 1 1 11 GLN HB2 H 18.311 3.467 6.586 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1286 . 1 1 11 GLN HB3 H 19.616 2.991 5.500 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1287 . 1 1 11 GLN HE21 H 17.677 6.846 5.714 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 5 . 1288 . 1 1 11 GLN HE22 H 19.202 7.489 6.093 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 5 . 1289 . 1 1 11 GLN HG2 H 18.631 4.358 3.702 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1290 . 1 1 11 GLN HG3 H 17.320 4.837 4.779 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1291 . 1 1 11 GLN N N 16.295 2.530 5.067 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 5 . 1292 . 1 1 11 GLN NE2 N 18.654 6.761 5.734 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1293 . 1 1 11 GLN O O 17.852 0.922 7.065 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 5 . 1294 . 1 1 11 GLN OE1 O 20.448 5.562 5.317 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1295 . 1 1 12 LYS C C 15.598 2.879 3.988 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 5 . 1296 . 1 1 12 LYS CA C 14.120 3.240 4.218 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 5 . 1297 . 1 1 12 LYS CB C 13.293 1.968 4.491 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 5 . 1298 . 1 1 12 LYS CD C 13.168 1.826 7.128 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 5 . 1299 . 1 1 12 LYS CE C 13.724 3.217 7.469 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 5 . 1300 . 1 1 12 LYS CG C 13.655 1.193 5.785 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 5 . 1301 . 1 1 12 LYS H H 13.849 3.489 2.146 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 5 . 1302 . 1 1 12 LYS HA H 14.047 3.924 5.020 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 5 . 1303 . 1 1 12 LYS HB2 H 12.253 2.249 4.551 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1304 . 1 1 12 LYS HB3 H 13.414 1.303 3.646 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1305 . 1 1 12 LYS HD2 H 12.095 1.905 7.086 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1306 . 1 1 12 LYS HD3 H 13.425 1.147 7.929 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 5 . 1307 . 1 1 12 LYS HE2 H 13.345 3.953 6.796 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1308 . 1 1 12 LYS HE3 H 13.387 3.474 8.464 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 5 . 1309 . 1 1 12 LYS HG2 H 13.217 0.213 5.709 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1310 . 1 1 12 LYS HG3 H 14.719 1.075 5.824 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1311 . 1 1 12 LYS HZ1 H 15.550 2.223 7.578 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 5 . 1312 . 1 1 12 LYS HZ2 H 15.564 3.776 8.264 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 5 . 1313 . 1 1 12 LYS HZ3 H 15.568 3.590 6.576 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 5 . 1314 . 1 1 12 LYS N N 13.577 3.847 3.010 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 5 . 1315 . 1 1 12 LYS NZ N 15.214 3.200 7.471 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 5 . 1316 . 1 1 12 LYS O O 16.089 2.913 2.857 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 5 . 1317 . 1 1 13 PHE C C 12.694 4.851 3.060 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 5 . 1318 . 1 1 13 PHE CA C 12.185 5.368 1.716 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 5 . 1319 . 1 1 13 PHE CB C 12.703 6.798 1.480 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 5 . 1320 . 1 1 13 PHE CD1 C 10.824 7.564 -0.016 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1321 . 1 1 13 PHE CD2 C 13.046 7.357 -0.952 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1322 . 1 1 13 PHE CE1 C 10.332 7.935 -1.270 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1323 . 1 1 13 PHE CE2 C 12.552 7.726 -2.205 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1324 . 1 1 13 PHE CG C 12.185 7.279 0.145 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 5 . 1325 . 1 1 13 PHE CZ C 11.192 8.010 -2.365 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 5 . 1326 . 1 1 13 PHE H H 10.213 6.084 2.064 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 5 . 1327 . 1 1 13 PHE HA H 12.573 4.728 0.932 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 5 . 1328 . 1 1 13 PHE HB2 H 12.342 7.448 2.265 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1329 . 1 1 13 PHE HB3 H 13.785 6.802 1.476 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1330 . 1 1 13 PHE HD1 H 10.156 7.508 0.831 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1331 . 1 1 13 PHE HD2 H 14.097 7.156 -0.829 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1332 . 1 1 13 PHE HE1 H 9.283 8.155 -1.393 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 5 . 1333 . 1 1 13 PHE HE2 H 13.214 7.752 -3.053 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 5 . 1334 . 1 1 13 PHE HZ H 10.805 8.296 -3.335 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 5 . 1335 . 1 1 13 PHE N N 10.719 5.343 1.668 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 5 . 1336 . 1 1 13 PHE O O 12.282 5.329 4.116 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 5 . 1337 . 1 1 14 ILE C C 10.054 4.337 1.081 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 5 . 1338 . 1 1 14 ILE CA C 8.529 4.441 1.081 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 5 . 1339 . 1 1 14 ILE CB C 7.866 3.294 1.877 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 5 . 1340 . 1 1 14 ILE CD1 C 9.779 3.071 3.596 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 5 . 1341 . 1 1 14 ILE CG1 C 8.273 3.291 3.375 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 5 . 1342 . 1 1 14 ILE CG2 C 8.226 1.949 1.238 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1343 . 1 1 14 ILE H H 8.576 3.940 -0.988 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 5 . 1344 . 1 1 14 ILE HA H 8.245 5.384 1.525 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 5 . 1345 . 1 1 14 ILE HB H 6.792 3.421 1.811 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 5 . 1346 . 1 1 14 ILE HD11 H 10.285 4.024 3.619 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 5 . 1347 . 1 1 14 ILE HD12 H 10.188 2.458 2.810 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 5 . 1348 . 1 1 14 ILE HD13 H 9.926 2.572 4.543 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 5 . 1349 . 1 1 14 ILE HG12 H 7.996 4.237 3.813 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 5 . 1350 . 1 1 14 ILE HG13 H 7.729 2.505 3.879 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 5 . 1351 . 1 1 14 ILE HG21 H 7.579 1.178 1.632 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 5 . 1352 . 1 1 14 ILE HG22 H 9.253 1.703 1.458 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 5 . 1353 . 1 1 14 ILE HG23 H 8.094 2.013 0.168 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 5 . 1354 . 1 1 14 ILE N N 8.041 4.395 -0.301 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 5 . 1355 . 1 1 14 ILE O O 10.620 3.383 0.549 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 5 . 1356 . 1 1 15 ARG C C 6.879 4.954 -0.638 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 5 . 1357 . 1 1 15 ARG CA C 6.454 4.848 -2.106 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 5 . 1358 . 1 1 15 ARG CB C 7.084 5.997 -2.918 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 5 . 1359 . 1 1 15 ARG CD C 9.170 4.718 -3.636 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 5 . 1360 . 1 1 15 ARG CG C 8.622 5.955 -2.905 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 5 . 1361 . 1 1 15 ARG CZ C 11.303 5.686 -4.313 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 5 . 1362 . 1 1 15 ARG H H 4.501 5.398 -1.489 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 5 . 1363 . 1 1 15 ARG HA H 6.766 3.900 -2.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 5 . 1364 . 1 1 15 ARG HB2 H 6.745 5.931 -3.940 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 5 . 1365 . 1 1 15 ARG HB3 H 6.760 6.940 -2.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 5 . 1366 . 1 1 15 ARG HD2 H 8.857 3.826 -3.134 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 5 . 1367 . 1 1 15 ARG HD3 H 8.794 4.711 -4.648 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 5 . 1368 . 1 1 15 ARG HE H 11.127 4.054 -3.166 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 5 . 1369 . 1 1 15 ARG HG2 H 9.002 6.846 -3.368 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 5 . 1370 . 1 1 15 ARG HG3 H 8.953 5.918 -1.882 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 5 . 1371 . 1 1 15 ARG HH11 H 9.664 6.547 -5.075 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 5 . 1372 . 1 1 15 ARG HH12 H 11.170 7.285 -5.511 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 5 . 1373 . 1 1 15 ARG HH21 H 13.099 5.015 -3.737 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 5 . 1374 . 1 1 15 ARG HH22 H 13.114 6.416 -4.756 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 5 . 1375 . 1 1 15 ARG N N 5.000 4.937 -2.196 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 5 . 1376 . 1 1 15 ARG NE N 10.630 4.739 -3.661 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 5 . 1377 . 1 1 15 ARG NH1 N 10.663 6.575 -5.022 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 5 . 1378 . 1 1 15 ARG NH2 N 12.607 5.708 -4.265 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 5 . 1379 . 1 1 15 ARG O O 6.159 5.531 0.177 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 5 . 1380 . 1 1 16 ACE C C 4.345 4.406 -3.223 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 5 . 1381 . 1 1 16 ACE CH3 C 2.827 4.562 -3.213 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 5 . 1382 . 1 1 16 ACE H1 H 2.364 3.594 -3.339 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 5 . 1383 . 1 1 16 ACE H2 H 2.528 5.212 -4.020 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 5 . 1384 . 1 1 16 ACE H3 H 2.514 4.989 -2.272 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 5 . 1385 . 1 1 16 ACE O O 4.914 3.817 -4.142 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 6 . 1386 . 1 1 1 ACE C C 4.980 0.976 -4.447 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 6 . 1387 . 1 1 1 ACE CH3 C 3.838 1.979 -4.339 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 6 . 1388 . 1 1 1 ACE H1 H 2.896 1.469 -4.483 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 6 . 1389 . 1 1 1 ACE H2 H 3.953 2.740 -5.096 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 6 . 1390 . 1 1 1 ACE H3 H 3.851 2.438 -3.361 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 6 . 1391 . 1 1 1 ACE O O 4.819 -0.102 -5.020 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 6 . 1392 . 1 1 2 GLU C C 8.154 0.601 -2.673 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 6 . 1393 . 1 1 2 GLU CA C 7.307 0.454 -3.935 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 6 . 1394 . 1 1 2 GLU CB C 8.155 0.789 -5.164 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 6 . 1395 . 1 1 2 GLU CD C 9.446 2.586 -6.331 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 6 . 1396 . 1 1 2 GLU CG C 8.611 2.249 -5.101 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 6 . 1397 . 1 1 2 GLU H H 6.207 2.210 -3.452 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 6 . 1398 . 1 1 2 GLU HA H 6.977 -0.572 -4.011 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 6 . 1399 . 1 1 2 GLU HB2 H 9.020 0.143 -5.189 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1400 . 1 1 2 GLU HB3 H 7.567 0.637 -6.056 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1401 . 1 1 2 GLU HG2 H 7.745 2.894 -5.069 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1402 . 1 1 2 GLU HG3 H 9.206 2.405 -4.213 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1403 . 1 1 2 GLU N N 6.137 1.336 -3.893 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 6 . 1404 . 1 1 2 GLU O O 8.303 1.703 -2.131 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 6 . 1405 . 1 1 2 GLU OE1 O 8.926 2.466 -7.427 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1406 . 1 1 2 GLU OE2 O 10.595 2.959 -6.158 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1407 . 1 1 3 ARG C C 11.021 -0.652 -1.332 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 6 . 1408 . 1 1 3 ARG CA C 9.545 -0.526 -1.002 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 6 . 1409 . 1 1 3 ARG CB C 9.177 -1.653 0.001 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 6 . 1410 . 1 1 3 ARG CD C 8.739 -3.459 -1.817 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 6 . 1411 . 1 1 3 ARG CG C 9.446 -3.102 -0.502 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 6 . 1412 . 1 1 3 ARG CZ C 8.826 -2.886 -4.170 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 6 . 1413 . 1 1 3 ARG H H 8.547 -1.359 -2.678 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 6 . 1414 . 1 1 3 ARG HA H 9.406 0.420 -0.490 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 6 . 1415 . 1 1 3 ARG HB2 H 9.767 -1.509 0.914 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1416 . 1 1 3 ARG HB3 H 8.132 -1.561 0.254 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1417 . 1 1 3 ARG HD2 H 8.852 -4.516 -2.004 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1418 . 1 1 3 ARG HD3 H 7.688 -3.229 -1.726 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 6 . 1419 . 1 1 3 ARG HE H 10.042 -2.100 -2.786 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 6 . 1420 . 1 1 3 ARG HG2 H 10.505 -3.233 -0.643 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1421 . 1 1 3 ARG HG3 H 9.119 -3.793 0.263 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1422 . 1 1 3 ARG HH11 H 7.414 -4.193 -3.613 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 6 . 1423 . 1 1 3 ARG HH12 H 7.470 -3.825 -5.305 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 6 . 1424 . 1 1 3 ARG HH21 H 10.129 -1.618 -5.007 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 6 . 1425 . 1 1 3 ARG HH22 H 9.008 -2.366 -6.094 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 6 . 1426 . 1 1 3 ARG N N 8.710 -0.527 -2.207 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 6 . 1427 . 1 1 3 ARG NE N 9.298 -2.720 -2.939 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 6 . 1428 . 1 1 3 ARG NH1 N 7.826 -3.698 -4.379 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 6 . 1429 . 1 1 3 ARG NH2 N 9.363 -2.239 -5.168 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 6 . 1430 . 1 1 3 ARG O O 11.735 -1.292 -0.565 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 6 . 1431 . 1 1 4 PHE C C 13.719 -0.333 -1.486 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 6 . 1432 . 1 1 4 PHE CA C 12.953 -0.043 -2.767 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 6 . 1433 . 1 1 4 PHE CB C 13.351 1.306 -3.380 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 6 . 1434 . 1 1 4 PHE CD1 C 15.527 0.509 -4.402 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1435 . 1 1 4 PHE CD2 C 15.558 2.389 -2.869 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1436 . 1 1 4 PHE CE1 C 16.918 0.616 -4.549 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1437 . 1 1 4 PHE CE2 C 16.936 2.497 -3.013 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1438 . 1 1 4 PHE CG C 14.848 1.396 -3.560 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 6 . 1439 . 1 1 4 PHE CZ C 17.623 1.612 -3.855 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 6 . 1440 . 1 1 4 PHE H H 10.894 0.522 -2.989 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 6 . 1441 . 1 1 4 PHE HA H 13.136 -0.834 -3.481 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 6 . 1442 . 1 1 4 PHE HB2 H 12.876 1.406 -4.345 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1443 . 1 1 4 PHE HB3 H 13.013 2.101 -2.749 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1444 . 1 1 4 PHE HD1 H 14.983 -0.257 -4.935 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1445 . 1 1 4 PHE HD2 H 15.035 3.074 -2.219 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1446 . 1 1 4 PHE HE1 H 17.446 -0.066 -5.198 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1447 . 1 1 4 PHE HE2 H 17.468 3.267 -2.472 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1448 . 1 1 4 PHE HZ H 18.693 1.696 -3.968 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 6 . 1449 . 1 1 4 PHE N N 11.503 -0.007 -2.434 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 6 . 1450 . 1 1 4 PHE O O 13.877 0.523 -0.621 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 6 . 1451 . 1 1 5 TYR C C 16.063 -2.292 -0.087 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 6 . 1452 . 1 1 5 TYR CA C 14.569 -2.019 -0.004 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 6 . 1453 . 1 1 5 TYR CB C 13.863 -3.327 0.377 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 6 . 1454 . 1 1 5 TYR CD1 C 13.380 -2.722 2.704 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1455 . 1 1 5 TYR CD2 C 14.818 -4.630 2.324 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1456 . 1 1 5 TYR CE1 C 13.484 -2.889 4.065 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1457 . 1 1 5 TYR CE2 C 14.935 -4.806 3.708 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1458 . 1 1 5 TYR CG C 14.035 -3.585 1.835 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 6 . 1459 . 1 1 5 TYR CZ C 14.264 -3.933 4.585 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 6 . 1460 . 1 1 5 TYR H H 13.762 -2.284 -1.943 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 6 . 1461 . 1 1 5 TYR HA H 14.375 -1.275 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 6 . 1462 . 1 1 5 TYR HB2 H 12.812 -3.245 0.158 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1463 . 1 1 5 TYR HB3 H 14.284 -4.149 -0.183 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1464 . 1 1 5 TYR HD1 H 12.776 -1.919 2.309 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1465 . 1 1 5 TYR HD2 H 15.328 -5.295 1.643 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1466 . 1 1 5 TYR HE1 H 12.953 -2.213 4.713 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1467 . 1 1 5 TYR HE2 H 15.540 -5.607 4.097 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1468 . 1 1 5 TYR HH H 15.227 -4.496 6.133 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 6 . 1469 . 1 1 5 TYR N N 14.028 -1.607 -1.285 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 6 . 1470 . 1 1 5 TYR O O 16.501 -3.206 -0.785 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 6 . 1471 . 1 1 5 TYR OH O 14.370 -4.106 5.949 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 6 . 1472 . 1 1 6 GLU C C 18.754 -1.531 2.140 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 6 . 1473 . 1 1 6 GLU CA C 18.288 -1.698 0.700 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 6 . 1474 . 1 1 6 GLU CB C 18.977 -0.671 -0.211 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 6 . 1475 . 1 1 6 GLU CD C 20.948 -2.202 -0.745 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 6 . 1476 . 1 1 6 GLU CG C 20.512 -0.836 -0.205 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 6 . 1477 . 1 1 6 GLU H H 16.430 -0.813 1.217 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 6 . 1478 . 1 1 6 GLU HA H 18.525 -2.694 0.367 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 6 . 1479 . 1 1 6 GLU HB2 H 18.615 -0.799 -1.220 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1480 . 1 1 6 GLU HB3 H 18.726 0.322 0.129 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1481 . 1 1 6 GLU HG2 H 20.951 -0.063 -0.817 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1482 . 1 1 6 GLU HG3 H 20.877 -0.731 0.805 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1483 . 1 1 6 GLU N N 16.840 -1.513 0.660 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 6 . 1484 . 1 1 6 GLU O O 19.318 -0.505 2.511 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 6 . 1485 . 1 1 6 GLU OE1 O 20.612 -3.206 -0.144 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1486 . 1 1 6 GLU OE2 O 21.617 -2.219 -1.764 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1487 . 1 1 7 LYS C C 20.027 -3.470 4.606 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 6 . 1488 . 1 1 7 LYS CA C 18.867 -2.518 4.368 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 6 . 1489 . 1 1 7 LYS CB C 17.670 -2.940 5.228 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 6 . 1490 . 1 1 7 LYS CD C 16.843 -3.292 7.565 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 6 . 1491 . 1 1 7 LYS CE C 17.219 -3.208 9.046 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 6 . 1492 . 1 1 7 LYS CG C 18.043 -2.872 6.713 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 6 . 1493 . 1 1 7 LYS H H 18.028 -3.338 2.603 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 6 . 1494 . 1 1 7 LYS HA H 19.166 -1.517 4.649 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 6 . 1495 . 1 1 7 LYS HB2 H 16.839 -2.277 5.037 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1496 . 1 1 7 LYS HB3 H 17.387 -3.952 4.978 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1497 . 1 1 7 LYS HD2 H 16.010 -2.632 7.365 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1498 . 1 1 7 LYS HD3 H 16.567 -4.306 7.324 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 6 . 1499 . 1 1 7 LYS HE2 H 17.509 -2.195 9.287 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1500 . 1 1 7 LYS HE3 H 16.370 -3.493 9.650 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 6 . 1501 . 1 1 7 LYS HG2 H 18.873 -3.531 6.914 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1502 . 1 1 7 LYS HG3 H 18.317 -1.861 6.966 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1503 . 1 1 7 LYS HZ1 H 19.211 -3.779 8.843 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 6 . 1504 . 1 1 7 LYS HZ2 H 18.127 -5.080 8.966 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 6 . 1505 . 1 1 7 LYS HZ3 H 18.530 -4.173 10.345 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 6 . 1506 . 1 1 7 LYS N N 18.493 -2.551 2.955 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 6 . 1507 . 1 1 7 LYS NZ N 18.357 -4.129 9.322 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 6 . 1508 . 1 1 7 LYS O O 20.073 -4.564 4.042 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 6 . 1509 . 1 1 8 . CAA C 24.501 -4.419 5.169 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 6 . 1510 . 1 1 8 . CAB C 22.992 -3.593 3.377 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 6 . 1511 . 1 1 8 . CAE C 22.119 -3.943 5.670 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 6 . 1512 . 1 1 8 . CAF C 23.335 -3.478 4.864 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 6 . 1513 . 1 1 8 . HAA H 25.246 -4.344 4.377 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 6 . 1514 . 1 1 8 . HAB H 24.134 -5.444 5.226 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 6 . 1515 . 1 1 8 . HAC H 24.954 -4.141 6.121 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 6 . 1516 . 1 1 8 . HAD H 23.711 -4.248 2.885 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 6 . 1517 . 1 1 8 . HAE H 23.026 -2.604 2.919 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 6 . 1518 . 1 1 8 . HAF H 21.989 -4.005 3.267 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 6 . 1519 . 1 1 8 . HAG H 21.873 -4.962 5.371 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 6 . 1520 . 1 1 8 . HAH H 22.357 -3.932 6.734 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 6 . 1521 . 1 1 8 . HAI H 20.906 -2.172 5.850 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 6 . 1522 . 1 1 8 . HAL H 24.280 -1.604 4.511 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 6 . 1523 . 1 1 8 . NAC N 20.965 -3.070 5.415 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 6 . 1524 . 1 1 8 . NAD N 23.715 -2.091 5.177 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 6 . 1525 . 1 1 9 DPR C C 23.377 -1.457 6.290 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 6 . 1526 . 1 1 9 DPR CA C 23.876 -0.017 6.477 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 6 . 1527 . 1 1 9 DPR CB C 24.947 0.373 5.467 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 6 . 1528 . 1 1 9 DPR CD C 23.510 2.300 5.850 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 6 . 1529 . 1 1 9 DPR CG C 24.962 1.870 5.540 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 6 . 1530 . 1 1 9 DPR HA H 24.280 0.096 7.469 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 6 . 1531 . 1 1 9 DPR HB2 H 25.906 -0.041 5.750 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1532 . 1 1 9 DPR HB3 H 24.670 0.056 4.474 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1533 . 1 1 9 DPR HD2 H 23.489 3.008 6.669 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1534 . 1 1 9 DPR HD3 H 23.045 2.720 4.974 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 6 . 1535 . 1 1 9 DPR HG2 H 25.628 2.194 6.332 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1536 . 1 1 9 DPR HG3 H 25.276 2.289 4.596 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1537 . 1 1 9 DPR N N 22.843 1.035 6.234 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 6 . 1538 . 1 1 9 DPR O O 22.708 -1.970 7.184 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 6 . 1539 . 1 1 10 VAL C C 21.539 0.818 6.353 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 6 . 1540 . 1 1 10 VAL CA C 20.559 1.985 6.108 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 6 . 1541 . 1 1 10 VAL CB C 19.521 2.012 7.241 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 6 . 1542 . 1 1 10 VAL CG1 C 18.722 0.698 7.277 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 6 . 1543 . 1 1 10 VAL CG2 C 20.234 2.237 8.580 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1544 . 1 1 10 VAL H H 19.729 0.957 4.432 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 6 . 1545 . 1 1 10 VAL HA H 21.089 2.921 6.120 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 6 . 1546 . 1 1 10 VAL HB H 18.836 2.821 7.063 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 6 . 1547 . 1 1 10 VAL HG11 H 17.721 0.892 7.635 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 6 . 1548 . 1 1 10 VAL HG12 H 19.204 -0.005 7.941 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 6 . 1549 . 1 1 10 VAL HG13 H 18.667 0.282 6.281 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 6 . 1550 . 1 1 10 VAL HG21 H 19.508 2.518 9.330 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 6 . 1551 . 1 1 10 VAL HG22 H 20.963 3.026 8.472 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 6 . 1552 . 1 1 10 VAL HG23 H 20.730 1.327 8.882 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 6 . 1553 . 1 1 10 VAL N N 19.853 1.846 4.826 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 6 . 1554 . 1 1 10 VAL O O 21.107 -0.287 6.673 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 6 . 1555 . 1 1 11 GLN C C 19.354 2.923 4.208 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 6 . 1556 . 1 1 11 GLN CA C 18.600 2.701 2.891 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 6 . 1557 . 1 1 11 GLN CB C 19.381 3.303 1.708 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 6 . 1558 . 1 1 11 GLN CD C 21.626 2.552 2.621 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 6 . 1559 . 1 1 11 GLN CG C 20.677 2.523 1.431 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 6 . 1560 . 1 1 11 GLN H H 17.286 4.316 3.291 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 6 . 1561 . 1 1 11 GLN HA H 18.452 1.644 2.730 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 6 . 1562 . 1 1 11 GLN HB2 H 18.759 3.276 0.825 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1563 . 1 1 11 GLN HB3 H 19.628 4.329 1.934 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1564 . 1 1 11 GLN HE21 H 21.667 0.575 2.797 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 6 . 1565 . 1 1 11 GLN HE22 H 22.612 1.419 3.921 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 6 . 1566 . 1 1 11 GLN HG2 H 20.427 1.501 1.211 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1567 . 1 1 11 GLN HG3 H 21.171 2.957 0.575 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1568 . 1 1 11 GLN N N 17.307 3.381 2.997 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 6 . 1569 . 1 1 11 GLN NE2 N 22.000 1.423 3.160 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1570 . 1 1 11 GLN O O 19.459 4.056 4.674 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 6 . 1571 . 1 1 11 GLN OE1 O 22.039 3.623 3.065 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1572 . 1 1 12 LYS C C 16.156 2.768 2.714 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 6 . 1573 . 1 1 12 LYS CA C 14.890 3.615 2.883 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 6 . 1574 . 1 1 12 LYS CB C 14.393 3.557 4.330 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 6 . 1575 . 1 1 12 LYS CD C 15.044 3.985 6.759 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 6 . 1576 . 1 1 12 LYS CE C 13.792 4.823 7.081 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 6 . 1577 . 1 1 12 LYS CG C 15.472 4.079 5.280 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 6 . 1578 . 1 1 12 LYS H H 13.942 2.249 1.594 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 6 . 1579 . 1 1 12 LYS HA H 15.110 4.639 2.626 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 6 . 1580 . 1 1 12 LYS HB2 H 13.520 4.176 4.398 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1581 . 1 1 12 LYS HB3 H 14.139 2.540 4.588 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1582 . 1 1 12 LYS HD2 H 14.833 2.952 6.986 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1583 . 1 1 12 LYS HD3 H 15.861 4.319 7.379 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 6 . 1584 . 1 1 12 LYS HE2 H 13.609 4.792 8.144 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1585 . 1 1 12 LYS HE3 H 13.966 5.847 6.782 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 6 . 1586 . 1 1 12 LYS HG2 H 16.365 3.494 5.151 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1587 . 1 1 12 LYS HG3 H 15.683 5.108 5.037 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1588 . 1 1 12 LYS HZ1 H 12.330 4.954 5.607 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 6 . 1589 . 1 1 12 LYS HZ2 H 11.807 4.204 7.037 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 6 . 1590 . 1 1 12 LYS HZ3 H 12.818 3.369 5.957 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 6 . 1591 . 1 1 12 LYS N N 13.832 3.120 2.028 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 6 . 1592 . 1 1 12 LYS NZ N 12.597 4.298 6.367 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 6 . 1593 . 1 1 12 LYS O O 16.091 1.590 2.342 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 6 . 1594 . 1 1 13 PHE C C 12.700 3.807 1.857 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 6 . 1595 . 1 1 13 PHE CA C 11.672 3.132 0.967 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 6 . 1596 . 1 1 13 PHE CB C 12.247 2.822 -0.409 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 6 . 1597 . 1 1 13 PHE CD1 C 13.162 5.114 -0.916 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1598 . 1 1 13 PHE CD2 C 11.492 4.155 -2.378 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1599 . 1 1 13 PHE CE1 C 13.188 6.262 -1.705 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1600 . 1 1 13 PHE CE2 C 11.523 5.291 -3.169 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1601 . 1 1 13 PHE CG C 12.315 4.060 -1.255 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 6 . 1602 . 1 1 13 PHE CZ C 12.368 6.352 -2.839 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 6 . 1603 . 1 1 13 PHE H H 10.257 4.385 0.009 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 6 . 1604 . 1 1 13 PHE HA H 11.437 2.195 1.424 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 6 . 1605 . 1 1 13 PHE HB2 H 13.249 2.464 -0.283 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1606 . 1 1 13 PHE HB3 H 11.647 2.066 -0.899 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1607 . 1 1 13 PHE HD1 H 13.814 5.034 -0.060 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1608 . 1 1 13 PHE HD2 H 10.836 3.338 -2.636 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1609 . 1 1 13 PHE HE1 H 13.838 7.074 -1.441 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 6 . 1610 . 1 1 13 PHE HE2 H 10.897 5.343 -4.039 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 6 . 1611 . 1 1 13 PHE HZ H 12.380 7.239 -3.450 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 6 . 1612 . 1 1 13 PHE N N 10.418 3.867 0.825 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 6 . 1613 . 1 1 13 PHE O O 12.471 4.885 2.402 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 6 . 1614 . 1 1 14 ILE C C 9.483 3.835 1.767 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 6 . 1615 . 1 1 14 ILE CA C 8.214 4.630 1.478 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 6 . 1616 . 1 1 14 ILE CB C 7.071 4.043 2.335 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 6 . 1617 . 1 1 14 ILE CD1 C 6.404 2.423 0.488 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 6 . 1618 . 1 1 14 ILE CG1 C 6.807 2.574 1.961 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 6 . 1619 . 1 1 14 ILE CG2 C 5.784 4.864 2.188 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1620 . 1 1 14 ILE H H 8.365 3.924 -0.531 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 6 . 1621 . 1 1 14 ILE HA H 8.373 5.649 1.774 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 6 . 1622 . 1 1 14 ILE HB H 7.378 4.082 3.372 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 6 . 1623 . 1 1 14 ILE HD11 H 5.788 1.542 0.379 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 6 . 1624 . 1 1 14 ILE HD12 H 7.288 2.313 -0.116 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 6 . 1625 . 1 1 14 ILE HD13 H 5.848 3.287 0.164 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 6 . 1626 . 1 1 14 ILE HG12 H 7.701 2.002 2.139 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 6 . 1627 . 1 1 14 ILE HG13 H 6.014 2.191 2.584 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 6 . 1628 . 1 1 14 ILE HG21 H 5.336 4.673 1.225 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 6 . 1629 . 1 1 14 ILE HG22 H 6.013 5.915 2.284 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 6 . 1630 . 1 1 14 ILE HG23 H 5.090 4.579 2.966 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 6 . 1631 . 1 1 14 ILE N N 7.919 4.593 0.037 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 6 . 1632 . 1 1 14 ILE O O 9.604 3.195 2.811 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 6 . 1633 . 1 1 15 ARG C C 7.079 5.443 -0.538 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 6 . 1634 . 1 1 15 ARG CA C 6.902 5.255 -2.037 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 6 . 1635 . 1 1 15 ARG CB C 8.213 5.494 -2.806 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 6 . 1636 . 1 1 15 ARG CD C 8.949 7.584 -1.489 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 6 . 1637 . 1 1 15 ARG CG C 8.631 6.980 -2.861 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 6 . 1638 . 1 1 15 ARG CZ C 10.416 7.147 0.390 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 6 . 1639 . 1 1 15 ARG H H 5.796 7.040 -2.311 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 6 . 1640 . 1 1 15 ARG HA H 6.620 4.221 -2.193 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 6 . 1641 . 1 1 15 ARG HB2 H 9.003 4.934 -2.333 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 6 . 1642 . 1 1 15 ARG HB3 H 8.089 5.133 -3.816 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 6 . 1643 . 1 1 15 ARG HD2 H 9.318 8.588 -1.638 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 6 . 1644 . 1 1 15 ARG HD3 H 8.070 7.639 -0.884 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 6 . 1645 . 1 1 15 ARG HE H 10.377 6.027 -1.272 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 6 . 1646 . 1 1 15 ARG HG2 H 9.501 7.069 -3.480 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 6 . 1647 . 1 1 15 ARG HG3 H 7.828 7.540 -3.308 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 6 . 1648 . 1 1 15 ARG HH11 H 9.194 8.725 0.547 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 6 . 1649 . 1 1 15 ARG HH12 H 10.229 8.440 1.907 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 6 . 1650 . 1 1 15 ARG HH21 H 11.739 5.651 0.504 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 6 . 1651 . 1 1 15 ARG HH22 H 11.672 6.699 1.881 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 6 . 1652 . 1 1 15 ARG N N 5.843 6.103 -2.584 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 6 . 1653 . 1 1 15 ARG NE N 9.987 6.810 -0.820 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 6 . 1654 . 1 1 15 ARG NH1 N 9.907 8.185 0.995 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 6 . 1655 . 1 1 15 ARG NH2 N 11.348 6.445 0.970 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 6 . 1656 . 1 1 15 ARG O O 6.473 6.326 0.068 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 6 . 1657 . 1 1 16 ACE C C 4.948 5.630 -3.452 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 6 . 1658 . 1 1 16 ACE CH3 C 3.899 6.620 -3.950 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 6 . 1659 . 1 1 16 ACE H1 H 3.594 7.261 -3.136 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 6 . 1660 . 1 1 16 ACE H2 H 3.042 6.078 -4.323 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 6 . 1661 . 1 1 16 ACE H3 H 4.318 7.220 -4.744 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 6 . 1662 . 1 1 16 ACE O O 4.952 4.461 -3.844 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 7 . 1663 . 1 1 1 ACE C C 5.024 0.802 -2.766 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 7 . 1664 . 1 1 1 ACE CH3 C 3.987 1.748 -2.172 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 7 . 1665 . 1 1 1 ACE H1 H 3.913 2.633 -2.785 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 7 . 1666 . 1 1 1 ACE H2 H 4.283 2.025 -1.171 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 7 . 1667 . 1 1 1 ACE H3 H 3.027 1.254 -2.137 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 7 . 1668 . 1 1 1 ACE O O 4.837 -0.414 -2.771 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 7 . 1669 . 1 1 2 GLU C C 8.162 0.092 -2.796 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 7 . 1670 . 1 1 2 GLU CA C 7.182 0.557 -3.870 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 7 . 1671 . 1 1 2 GLU CB C 7.940 1.370 -4.927 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 7 . 1672 . 1 1 2 GLU CD C 6.309 0.745 -6.785 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 7 . 1673 . 1 1 2 GLU CG C 6.992 1.887 -6.027 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 7 . 1674 . 1 1 2 GLU H H 6.216 2.343 -3.240 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 7 . 1675 . 1 1 2 GLU HA H 6.753 -0.314 -4.332 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 7 . 1676 . 1 1 2 GLU HB2 H 8.417 2.212 -4.449 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1677 . 1 1 2 GLU HB3 H 8.696 0.745 -5.379 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1678 . 1 1 2 GLU HG2 H 6.234 2.510 -5.576 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1679 . 1 1 2 GLU HG3 H 7.560 2.482 -6.728 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1680 . 1 1 2 GLU N N 6.120 1.368 -3.271 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 7 . 1681 . 1 1 2 GLU O O 8.597 0.879 -1.951 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 7 . 1682 . 1 1 2 GLU OE1 O 5.567 -0.003 -6.175 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1683 . 1 1 2 GLU OE2 O 6.543 0.639 -7.979 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1684 . 1 1 3 ARG C C 10.828 -1.281 -2.076 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 7 . 1685 . 1 1 3 ARG CA C 9.406 -1.789 -1.868 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 7 . 1686 . 1 1 3 ARG CB C 9.400 -3.320 -1.946 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 7 . 1687 . 1 1 3 ARG CD C 9.287 -3.321 -4.474 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 7 . 1688 . 1 1 3 ARG CG C 10.008 -3.840 -3.240 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 7 . 1689 . 1 1 3 ARG CZ C 9.532 -3.737 -6.840 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 7 . 1690 . 1 1 3 ARG H H 8.095 -1.765 -3.529 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 7 . 1691 . 1 1 3 ARG HA H 9.092 -1.505 -0.897 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 7 . 1692 . 1 1 3 ARG HB2 H 9.964 -3.719 -1.122 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1693 . 1 1 3 ARG HB3 H 8.385 -3.671 -1.880 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1694 . 1 1 3 ARG HD2 H 8.239 -3.569 -4.438 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1695 . 1 1 3 ARG HD3 H 9.424 -2.259 -4.569 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 7 . 1696 . 1 1 3 ARG HE H 10.641 -4.568 -5.392 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 7 . 1697 . 1 1 3 ARG HG2 H 11.045 -3.544 -3.291 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1698 . 1 1 3 ARG HG3 H 9.958 -4.919 -3.236 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1699 . 1 1 3 ARG HH11 H 8.081 -2.453 -6.338 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 7 . 1700 . 1 1 3 ARG HH12 H 8.265 -2.749 -8.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 7 . 1701 . 1 1 3 ARG HH21 H 10.896 -4.971 -7.634 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 7 . 1702 . 1 1 3 ARG HH22 H 9.857 -4.173 -8.767 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 7 . 1703 . 1 1 3 ARG N N 8.492 -1.197 -2.839 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 7 . 1704 . 1 1 3 ARG NE N 9.911 -3.960 -5.586 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 7 . 1705 . 1 1 3 ARG NH1 N 8.549 -2.916 -7.089 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 7 . 1706 . 1 1 3 ARG NH2 N 10.142 -4.341 -7.824 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 7 . 1707 . 1 1 3 ARG O O 11.779 -1.833 -1.529 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 7 . 1708 . 1 1 4 PHE C C 12.995 0.633 -1.825 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 7 . 1709 . 1 1 4 PHE CA C 12.284 0.327 -3.145 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 7 . 1710 . 1 1 4 PHE CB C 12.094 1.624 -3.953 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 7 . 1711 . 1 1 4 PHE CD1 C 14.681 1.817 -4.008 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1712 . 1 1 4 PHE CD2 C 13.312 3.537 -5.032 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1713 . 1 1 4 PHE CE1 C 15.832 2.525 -4.376 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1714 . 1 1 4 PHE CE2 C 14.466 4.239 -5.396 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1715 . 1 1 4 PHE CG C 13.403 2.327 -4.332 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 7 . 1716 . 1 1 4 PHE CZ C 15.725 3.736 -5.065 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 7 . 1717 . 1 1 4 PHE H H 10.175 0.161 -3.286 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 7 . 1718 . 1 1 4 PHE HA H 12.864 -0.377 -3.721 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 7 . 1719 . 1 1 4 PHE HB2 H 11.560 1.390 -4.860 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1720 . 1 1 4 PHE HB3 H 11.493 2.307 -3.368 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1721 . 1 1 4 PHE HD1 H 14.792 0.885 -3.503 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1722 . 1 1 4 PHE HD2 H 12.341 3.933 -5.288 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1723 . 1 1 4 PHE HE1 H 16.807 2.141 -4.110 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1724 . 1 1 4 PHE HE2 H 14.383 5.170 -5.935 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1725 . 1 1 4 PHE HZ H 16.615 4.278 -5.346 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 7 . 1726 . 1 1 4 PHE N N 10.967 -0.238 -2.873 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 7 . 1727 . 1 1 4 PHE O O 12.608 1.545 -1.093 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 7 . 1728 . 1 1 5 TYR C C 16.301 -0.207 -0.669 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 7 . 1729 . 1 1 5 TYR CA C 14.859 0.135 -0.347 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 7 . 1730 . 1 1 5 TYR CB C 14.368 -0.735 0.840 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 7 . 1731 . 1 1 5 TYR CD1 C 15.991 -2.670 0.685 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1732 . 1 1 5 TYR CD2 C 13.623 -3.122 0.444 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1733 . 1 1 5 TYR CE1 C 16.277 -4.021 0.518 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1734 . 1 1 5 TYR CE2 C 13.909 -4.482 0.276 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1735 . 1 1 5 TYR CG C 14.663 -2.212 0.650 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 7 . 1736 . 1 1 5 TYR CZ C 15.235 -4.933 0.313 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 7 . 1737 . 1 1 5 TYR H H 14.360 -0.796 -2.183 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 7 . 1738 . 1 1 5 TYR HA H 14.799 1.175 -0.073 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 7 . 1739 . 1 1 5 TYR HB2 H 14.853 -0.408 1.743 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1740 . 1 1 5 TYR HB3 H 13.301 -0.604 0.949 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1741 . 1 1 5 TYR HD1 H 16.796 -1.979 0.859 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1742 . 1 1 5 TYR HD2 H 12.602 -2.778 0.422 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1743 . 1 1 5 TYR HE1 H 17.306 -4.359 0.553 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1744 . 1 1 5 TYR HE2 H 13.105 -5.180 0.121 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1745 . 1 1 5 TYR HH H 15.727 -6.422 -0.778 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 7 . 1746 . 1 1 5 TYR N N 14.073 -0.106 -1.549 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 7 . 1747 . 1 1 5 TYR O O 16.567 -0.985 -1.585 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 7 . 1748 . 1 1 5 TYR OH O 15.515 -6.274 0.147 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 7 . 1749 . 1 1 6 GLU C C 19.251 -0.212 1.308 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 7 . 1750 . 1 1 6 GLU CA C 18.645 0.005 -0.064 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 7 . 1751 . 1 1 6 GLU CB C 19.381 1.142 -0.785 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 7 . 1752 . 1 1 6 GLU CD C 18.875 0.110 -3.016 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 7 . 1753 . 1 1 6 GLU CG C 18.766 1.374 -2.166 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 7 . 1754 . 1 1 6 GLU H H 16.955 0.896 0.858 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 7 . 1755 . 1 1 6 GLU HA H 18.748 -0.908 -0.636 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 7 . 1756 . 1 1 6 GLU HB2 H 19.308 2.047 -0.206 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1757 . 1 1 6 GLU HB3 H 20.421 0.876 -0.900 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1758 . 1 1 6 GLU HG2 H 17.727 1.637 -2.048 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1759 . 1 1 6 GLU HG3 H 19.287 2.181 -2.658 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1760 . 1 1 6 GLU N N 17.228 0.319 0.115 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 7 . 1761 . 1 1 6 GLU O O 19.418 0.734 2.083 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 7 . 1762 . 1 1 6 GLU OE1 O 19.988 -0.344 -3.224 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1763 . 1 1 6 GLU OE2 O 17.848 -0.375 -3.457 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1764 . 1 1 7 LYS C C 21.108 -2.855 2.979 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 7 . 1765 . 1 1 7 LYS CA C 20.117 -1.724 2.959 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 7 . 1766 . 1 1 7 LYS CB C 19.013 -1.943 3.994 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 7 . 1767 . 1 1 7 LYS CD C 18.781 -4.485 3.644 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 7 . 1768 . 1 1 7 LYS CE C 17.745 -5.600 3.503 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 7 . 1769 . 1 1 7 LYS CG C 18.059 -3.129 3.719 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 7 . 1770 . 1 1 7 LYS H H 19.398 -2.197 1.018 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 7 . 1771 . 1 1 7 LYS HA H 20.664 -0.842 3.270 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 7 . 1772 . 1 1 7 LYS HB2 H 19.468 -2.087 4.947 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1773 . 1 1 7 LYS HB3 H 18.424 -1.044 4.020 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1774 . 1 1 7 LYS HD2 H 19.414 -4.515 2.775 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1775 . 1 1 7 LYS HD3 H 19.367 -4.645 4.536 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 7 . 1776 . 1 1 7 LYS HE2 H 17.090 -5.592 4.361 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1777 . 1 1 7 LYS HE3 H 17.165 -5.444 2.606 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 7 . 1778 . 1 1 7 LYS HG2 H 17.341 -3.171 4.528 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1779 . 1 1 7 LYS HG3 H 17.536 -2.953 2.797 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1780 . 1 1 7 LYS HZ1 H 19.463 -6.775 3.543 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 7 . 1781 . 1 1 7 LYS HZ2 H 18.256 -7.348 2.494 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 7 . 1782 . 1 1 7 LYS HZ3 H 18.088 -7.541 4.173 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 7 . 1783 . 1 1 7 LYS N N 19.561 -1.459 1.644 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 7 . 1784 . 1 1 7 LYS NZ N 18.441 -6.915 3.422 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 7 . 1785 . 1 1 7 LYS O O 21.469 -3.423 1.948 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 7 . 1786 . 1 1 8 . CAA C 24.856 -4.508 5.268 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 7 . 1787 . 1 1 8 . CAB C 24.567 -3.367 3.072 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 7 . 1788 . 1 1 8 . CAE C 22.584 -4.208 4.303 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 7 . 1789 . 1 1 8 . CAF C 23.961 -3.564 4.463 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 7 . 1790 . 1 1 8 . HAA H 24.560 -4.482 6.318 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 7 . 1791 . 1 1 8 . HAB H 25.895 -4.193 5.175 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 7 . 1792 . 1 1 8 . HAC H 24.748 -5.523 4.887 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 7 . 1793 . 1 1 8 . HAD H 25.311 -4.140 2.884 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 7 . 1794 . 1 1 8 . HAE H 25.037 -2.385 3.015 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 7 . 1795 . 1 1 8 . HAF H 23.776 -3.431 2.325 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 7 . 1796 . 1 1 8 . HAG H 22.590 -4.844 3.417 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 7 . 1797 . 1 1 8 . HAH H 22.352 -4.810 5.182 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 7 . 1798 . 1 1 8 . HAI H 21.270 -2.638 4.951 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 7 . 1799 . 1 1 8 . HAL H 24.288 -1.468 4.764 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 7 . 1800 . 1 1 8 . NAC N 21.576 -3.151 4.150 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 7 . 1801 . 1 1 8 . NAD N 23.830 -2.269 5.148 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 7 . 1802 . 1 1 9 DPR C C 23.137 -2.150 6.263 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 7 . 1803 . 1 1 9 DPR CA C 23.116 -0.726 6.856 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 7 . 1804 . 1 1 9 DPR CB C 23.934 0.252 6.018 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 7 . 1805 . 1 1 9 DPR CD C 21.962 1.424 6.827 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 7 . 1806 . 1 1 9 DPR CG C 23.451 1.599 6.462 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 7 . 1807 . 1 1 9 DPR HA H 23.523 -0.746 7.853 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 7 . 1808 . 1 1 9 DPR HB2 H 24.991 0.133 6.219 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1809 . 1 1 9 DPR HB3 H 23.726 0.117 4.968 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1810 . 1 1 9 DPR HD2 H 21.754 1.864 7.795 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1811 . 1 1 9 DPR HD3 H 21.326 1.857 6.069 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 7 . 1812 . 1 1 9 DPR HG2 H 24.016 1.926 7.327 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1813 . 1 1 9 DPR HG3 H 23.551 2.317 5.661 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1814 . 1 1 9 DPR N N 21.777 -0.042 6.870 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 7 . 1815 . 1 1 9 DPR O O 22.562 -3.089 6.812 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 7 . 1816 . 1 1 10 VAL C C 20.613 -0.672 6.903 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 7 . 1817 . 1 1 10 VAL CA C 19.328 0.195 6.993 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 7 . 1818 . 1 1 10 VAL CB C 18.224 -0.578 7.773 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 7 . 1819 . 1 1 10 VAL CG1 C 17.067 0.362 8.139 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 7 . 1820 . 1 1 10 VAL CG2 C 17.637 -1.721 6.934 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1821 . 1 1 10 VAL H H 19.076 0.164 4.868 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 7 . 1822 . 1 1 10 VAL HA H 19.566 1.075 7.573 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 7 . 1823 . 1 1 10 VAL HB H 18.648 -0.992 8.668 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 7 . 1824 . 1 1 10 VAL HG11 H 16.446 -0.114 8.884 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 7 . 1825 . 1 1 10 VAL HG12 H 16.473 0.572 7.264 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 7 . 1826 . 1 1 10 VAL HG13 H 17.460 1.283 8.543 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 7 . 1827 . 1 1 10 VAL HG21 H 18.346 -2.527 6.862 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 7 . 1828 . 1 1 10 VAL HG22 H 17.392 -1.357 5.956 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 7 . 1829 . 1 1 10 VAL HG23 H 16.737 -2.088 7.408 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 7 . 1830 . 1 1 10 VAL N N 18.825 0.651 5.682 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 7 . 1831 . 1 1 10 VAL O O 20.552 -1.897 6.941 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 7 . 1832 . 1 1 11 GLN C C 18.041 1.736 5.574 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 7 . 1833 . 1 1 11 GLN CA C 17.580 2.112 4.164 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 7 . 1834 . 1 1 11 GLN CB C 18.437 3.277 3.643 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 7 . 1835 . 1 1 11 GLN CD C 18.905 4.787 1.702 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 7 . 1836 . 1 1 11 GLN CG C 18.015 3.660 2.217 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 7 . 1837 . 1 1 11 GLN H H 15.785 2.939 4.951 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 7 . 1838 . 1 1 11 GLN HA H 17.718 1.260 3.519 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 7 . 1839 . 1 1 11 GLN HB2 H 18.312 4.130 4.293 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1840 . 1 1 11 GLN HB3 H 19.476 2.981 3.639 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1841 . 1 1 11 GLN HE21 H 17.400 6.055 1.436 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 7 . 1842 . 1 1 11 GLN HE22 H 18.935 6.655 1.029 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 7 . 1843 . 1 1 11 GLN HG2 H 18.099 2.804 1.565 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1844 . 1 1 11 GLN HG3 H 16.992 4.001 2.220 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1845 . 1 1 11 GLN N N 16.162 2.486 4.168 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 7 . 1846 . 1 1 11 GLN NE2 N 18.369 5.927 1.361 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1847 . 1 1 11 GLN O O 17.701 2.418 6.539 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 7 . 1848 . 1 1 11 GLN OE1 O 20.122 4.626 1.611 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1849 . 1 1 12 LYS C C 15.379 2.229 3.118 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 7 . 1850 . 1 1 12 LYS CA C 13.922 2.673 3.222 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 7 . 1851 . 1 1 12 LYS CB C 13.031 1.488 3.616 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 7 . 1852 . 1 1 12 LYS CD C 13.526 1.793 6.135 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 7 . 1853 . 1 1 12 LYS CE C 12.141 2.399 6.405 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 7 . 1854 . 1 1 12 LYS CG C 13.499 0.826 4.928 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 7 . 1855 . 1 1 12 LYS H H 13.101 2.582 1.271 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 7 . 1856 . 1 1 12 LYS HA H 13.834 3.446 3.967 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 7 . 1857 . 1 1 12 LYS HB2 H 12.012 1.820 3.718 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1858 . 1 1 12 LYS HB3 H 13.071 0.754 2.827 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1859 . 1 1 12 LYS HD2 H 13.833 1.239 7.010 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1860 . 1 1 12 LYS HD3 H 14.238 2.581 5.960 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 7 . 1861 . 1 1 12 LYS HE2 H 12.198 3.020 7.287 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1862 . 1 1 12 LYS HE3 H 11.828 3.003 5.571 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 7 . 1863 . 1 1 12 LYS HG2 H 12.834 0.010 5.155 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1864 . 1 1 12 LYS HG3 H 14.491 0.431 4.775 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1865 . 1 1 12 LYS HZ1 H 11.575 0.590 7.267 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 7 . 1866 . 1 1 12 LYS HZ2 H 10.894 0.872 5.735 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 7 . 1867 . 1 1 12 LYS HZ3 H 10.306 1.701 7.095 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 7 . 1868 . 1 1 12 LYS N N 13.468 3.202 1.939 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 7 . 1869 . 1 1 12 LYS NZ N 11.155 1.308 6.643 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 7 . 1870 . 1 1 12 LYS O O 15.795 1.679 2.101 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 7 . 1871 . 1 1 13 PHE C C 13.550 4.499 1.650 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 7 . 1872 . 1 1 13 PHE CA C 13.051 4.917 0.270 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 7 . 1873 . 1 1 13 PHE CB C 13.738 6.235 -0.122 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 7 . 1874 . 1 1 13 PHE CD1 C 12.509 5.975 -2.379 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1875 . 1 1 13 PHE CD2 C 13.909 7.921 -1.977 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1876 . 1 1 13 PHE CE1 C 12.216 6.463 -3.657 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1877 . 1 1 13 PHE CE2 C 13.608 8.400 -3.256 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1878 . 1 1 13 PHE CG C 13.365 6.710 -1.525 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 7 . 1879 . 1 1 13 PHE CZ C 12.763 7.670 -4.095 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 7 . 1880 . 1 1 13 PHE H H 11.218 5.982 0.328 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 7 . 1881 . 1 1 13 PHE HA H 13.321 4.147 -0.439 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 7 . 1882 . 1 1 13 PHE HB2 H 13.452 6.998 0.585 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1883 . 1 1 13 PHE HB3 H 14.810 6.100 -0.070 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1884 . 1 1 13 PHE HD1 H 12.073 5.045 -2.063 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1885 . 1 1 13 PHE HD2 H 14.563 8.489 -1.332 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1886 . 1 1 13 PHE HE1 H 11.570 5.903 -4.310 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 7 . 1887 . 1 1 13 PHE HE2 H 14.031 9.334 -3.595 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 7 . 1888 . 1 1 13 PHE HZ H 12.530 8.040 -5.081 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 7 . 1889 . 1 1 13 PHE N N 11.598 5.081 0.284 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 7 . 1890 . 1 1 13 PHE O O 14.006 5.332 2.433 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 7 . 1891 . 1 1 14 ILE C C 10.781 4.030 0.259 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 7 . 1892 . 1 1 14 ILE CA C 9.286 4.338 0.302 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 7 . 1893 . 1 1 14 ILE CB C 8.590 3.310 1.200 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 7 . 1894 . 1 1 14 ILE CD1 C 6.829 5.025 1.854 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 7 . 1895 . 1 1 14 ILE CG1 C 7.082 3.618 1.283 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 7 . 1896 . 1 1 14 ILE CG2 C 9.214 3.335 2.599 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1897 . 1 1 14 ILE H H 8.771 3.482 -1.589 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 7 . 1898 . 1 1 14 ILE HA H 9.150 5.321 0.732 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 7 . 1899 . 1 1 14 ILE HB H 8.726 2.326 0.774 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 7 . 1900 . 1 1 14 ILE HD11 H 7.577 5.271 2.591 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 7 . 1901 . 1 1 14 ILE HD12 H 5.853 5.053 2.315 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 7 . 1902 . 1 1 14 ILE HD13 H 6.863 5.748 1.053 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 7 . 1903 . 1 1 14 ILE HG12 H 6.653 3.556 0.294 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 7 . 1904 . 1 1 14 ILE HG13 H 6.607 2.887 1.922 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 7 . 1905 . 1 1 14 ILE HG21 H 10.180 2.854 2.572 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 7 . 1906 . 1 1 14 ILE HG22 H 8.570 2.809 3.290 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 7 . 1907 . 1 1 14 ILE HG23 H 9.329 4.359 2.924 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 7 . 1908 . 1 1 14 ILE N N 8.693 4.302 -1.043 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 7 . 1909 . 1 1 14 ILE O O 11.183 2.868 0.224 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 7 . 1910 . 1 1 15 ARG C C 8.041 5.345 -1.549 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 7 . 1911 . 1 1 15 ARG CA C 7.477 5.143 -2.942 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 7 . 1912 . 1 1 15 ARG CB C 8.346 5.853 -3.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 7 . 1913 . 1 1 15 ARG CD C 8.638 6.220 -6.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 7 . 1914 . 1 1 15 ARG CG C 7.821 5.500 -5.355 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 7 . 1915 . 1 1 15 ARG CZ C 10.927 6.311 -7.229 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 7 . 1916 . 1 1 15 ARG H H 5.898 6.385 -3.613 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 7 . 1917 . 1 1 15 ARG HA H 7.484 4.085 -3.164 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 7 . 1918 . 1 1 15 ARG HB2 H 8.294 6.922 -3.820 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 7 . 1919 . 1 1 15 ARG HB3 H 9.363 5.519 -3.877 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 7 . 1920 . 1 1 15 ARG HD2 H 8.229 5.988 -7.401 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 7 . 1921 . 1 1 15 ARG HD3 H 8.577 7.287 -6.266 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 7 . 1922 . 1 1 15 ARG HE H 10.318 5.139 -5.721 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 7 . 1923 . 1 1 15 ARG HG2 H 7.904 4.432 -5.489 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 7 . 1924 . 1 1 15 ARG HG3 H 6.786 5.792 -5.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 7 . 1925 . 1 1 15 ARG HH11 H 9.593 7.463 -8.178 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 7 . 1926 . 1 1 15 ARG HH12 H 11.222 7.565 -8.760 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 7 . 1927 . 1 1 15 ARG HH21 H 12.464 5.267 -6.483 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 7 . 1928 . 1 1 15 ARG HH22 H 12.845 6.322 -7.802 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 7 . 1929 . 1 1 15 ARG N N 6.106 5.622 -3.033 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 7 . 1930 . 1 1 15 ARG NE N 10.033 5.801 -6.385 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 7 . 1931 . 1 1 15 ARG NH1 N 10.551 7.181 -8.125 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 7 . 1932 . 1 1 15 ARG NH2 N 12.175 5.937 -7.166 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 7 . 1933 . 1 1 15 ARG O O 7.885 6.405 -0.947 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 7 . 1934 . 1 1 16 ACE C C 5.132 5.046 -2.342 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 7 . 1935 . 1 1 16 ACE CH3 C 3.738 5.638 -2.520 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 7 . 1936 . 1 1 16 ACE H1 H 3.105 5.321 -1.704 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 7 . 1937 . 1 1 16 ACE H2 H 3.318 5.297 -3.455 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 7 . 1938 . 1 1 16 ACE H3 H 3.804 6.716 -2.527 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 7 . 1939 . 1 1 16 ACE O O 5.321 4.086 -1.595 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 8 . 1940 . 1 1 1 ACE C C 4.178 2.439 -4.450 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 8 . 1941 . 1 1 1 ACE CH3 C 4.269 3.787 -5.156 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 8 . 1942 . 1 1 1 ACE H1 H 3.300 4.050 -5.559 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 8 . 1943 . 1 1 1 ACE H2 H 4.987 3.725 -5.960 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 8 . 1944 . 1 1 1 ACE H3 H 4.582 4.542 -4.451 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 8 . 1945 . 1 1 1 ACE O O 3.085 1.929 -4.205 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 8 . 1946 . 1 1 2 GLU C C 6.651 0.420 -2.619 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 8 . 1947 . 1 1 2 GLU CA C 5.374 0.570 -3.454 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 8 . 1948 . 1 1 2 GLU CB C 5.265 -0.596 -4.456 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 8 . 1949 . 1 1 2 GLU CD C 6.427 0.562 -6.427 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 8 . 1950 . 1 1 2 GLU CG C 6.432 -0.635 -5.469 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 8 . 1951 . 1 1 2 GLU H H 6.174 2.312 -4.351 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 8 . 1952 . 1 1 2 GLU HA H 4.530 0.511 -2.779 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 8 . 1953 . 1 1 2 GLU HB2 H 5.240 -1.527 -3.916 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 1954 . 1 1 2 GLU HB3 H 4.340 -0.487 -5.001 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 1955 . 1 1 2 GLU HG2 H 7.363 -0.639 -4.925 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 1956 . 1 1 2 GLU HG3 H 6.361 -1.546 -6.045 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 1957 . 1 1 2 GLU N N 5.334 1.861 -4.128 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 8 . 1958 . 1 1 2 GLU O O 7.208 1.412 -2.118 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 8 . 1959 . 1 1 2 GLU OE1 O 6.541 1.681 -5.975 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 8 . 1960 . 1 1 2 GLU OE2 O 6.309 0.328 -7.618 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 8 . 1961 . 1 1 3 ARG C C 9.409 -0.198 -2.113 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 8 . 1962 . 1 1 3 ARG CA C 8.291 -1.098 -1.657 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 8 . 1963 . 1 1 3 ARG CB C 8.791 -2.517 -1.872 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 8 . 1964 . 1 1 3 ARG CD C 8.306 -4.915 -1.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 8 . 1965 . 1 1 3 ARG CG C 7.708 -3.536 -1.569 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 8 . 1966 . 1 1 3 ARG CZ C 9.376 -6.099 -3.632 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 8 . 1967 . 1 1 3 ARG H H 6.616 -1.574 -2.855 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 8 . 1968 . 1 1 3 ARG HA H 8.086 -0.938 -0.613 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 8 . 1969 . 1 1 3 ARG HB2 H 9.104 -2.628 -2.899 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 1970 . 1 1 3 ARG HB3 H 9.637 -2.695 -1.223 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 1971 . 1 1 3 ARG HD2 H 9.105 -5.089 -1.094 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 1972 . 1 1 3 ARG HD3 H 7.541 -5.668 -1.672 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 8 . 1973 . 1 1 3 ARG HE H 8.856 -4.157 -3.707 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 8 . 1974 . 1 1 3 ARG HG2 H 7.391 -3.438 -0.539 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 1975 . 1 1 3 ARG HG3 H 6.868 -3.388 -2.228 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 1976 . 1 1 3 ARG HH11 H 8.915 -7.186 -2.016 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 8 . 1977 . 1 1 3 ARG HH12 H 9.753 -8.033 -3.273 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 8 . 1978 . 1 1 3 ARG HH21 H 9.958 -5.269 -5.359 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 8 . 1979 . 1 1 3 ARG HH22 H 10.344 -6.947 -5.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 8 . 1980 . 1 1 3 ARG N N 7.101 -0.827 -2.452 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 8 . 1981 . 1 1 3 ARG NE N 8.834 -4.981 -3.160 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 8 . 1982 . 1 1 3 ARG NH1 N 9.347 -7.191 -2.918 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 8 . 1983 . 1 1 3 ARG NH2 N 9.937 -6.105 -4.811 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 8 . 1984 . 1 1 3 ARG O O 9.457 0.193 -3.278 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 8 . 1985 . 1 1 4 PHE C C 12.463 1.066 -0.418 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 8 . 1986 . 1 1 4 PHE CA C 11.441 0.931 -1.563 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 8 . 1987 . 1 1 4 PHE CB C 10.938 2.315 -1.986 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 8 . 1988 . 1 1 4 PHE CD1 C 13.051 3.016 -3.187 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 8 . 1989 . 1 1 4 PHE CD2 C 12.302 4.273 -1.263 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 8 . 1990 . 1 1 4 PHE CE1 C 14.166 3.857 -3.294 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 8 . 1991 . 1 1 4 PHE CE2 C 13.397 5.107 -1.365 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 8 . 1992 . 1 1 4 PHE CG C 12.117 3.233 -2.171 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 8 . 1993 . 1 1 4 PHE CZ C 14.340 4.908 -2.382 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 8 . 1994 . 1 1 4 PHE H H 10.243 -0.262 -0.303 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 8 . 1995 . 1 1 4 PHE HA H 11.921 0.462 -2.415 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 8 . 1996 . 1 1 4 PHE HB2 H 10.414 2.230 -2.925 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 1997 . 1 1 4 PHE HB3 H 10.266 2.710 -1.247 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 1998 . 1 1 4 PHE HD1 H 12.908 2.211 -3.893 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 8 . 1999 . 1 1 4 PHE HD2 H 11.589 4.431 -0.476 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2000 . 1 1 4 PHE HE1 H 14.891 3.695 -4.076 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2001 . 1 1 4 PHE HE2 H 13.515 5.900 -0.650 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2002 . 1 1 4 PHE HZ H 15.198 5.558 -2.461 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 8 . 2003 . 1 1 4 PHE N N 10.318 0.099 -1.211 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 8 . 2004 . 1 1 4 PHE O O 12.367 1.972 0.426 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 8 . 2005 . 1 1 5 TYR C C 15.771 -0.370 0.090 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 8 . 2006 . 1 1 5 TYR CA C 14.504 0.277 0.614 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 8 . 2007 . 1 1 5 TYR CB C 14.042 -0.437 1.900 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 8 . 2008 . 1 1 5 TYR CD1 C 15.052 -2.717 1.510 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 8 . 2009 . 1 1 5 TYR CD2 C 12.640 -2.515 1.614 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2010 . 1 1 5 TYR CE1 C 14.936 -4.085 1.278 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2011 . 1 1 5 TYR CE2 C 12.521 -3.890 1.385 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2012 . 1 1 5 TYR CG C 13.905 -1.928 1.683 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 8 . 2013 . 1 1 5 TYR CZ C 13.669 -4.677 1.218 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 8 . 2014 . 1 1 5 TYR H H 13.531 -0.485 -1.113 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 8 . 2015 . 1 1 5 TYR HA H 14.709 1.308 0.839 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 8 . 2016 . 1 1 5 TYR HB2 H 14.766 -0.265 2.680 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2017 . 1 1 5 TYR HB3 H 13.089 -0.036 2.206 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2018 . 1 1 5 TYR HD1 H 16.030 -2.274 1.583 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 8 . 2019 . 1 1 5 TYR HD2 H 11.755 -1.908 1.742 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2020 . 1 1 5 TYR HE1 H 15.828 -4.680 1.147 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2021 . 1 1 5 TYR HE2 H 11.545 -4.343 1.339 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2022 . 1 1 5 TYR HH H 14.338 -6.324 0.518 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 8 . 2023 . 1 1 5 TYR N N 13.470 0.197 -0.411 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 8 . 2024 . 1 1 5 TYR O O 15.727 -1.158 -0.856 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 8 . 2025 . 1 1 5 TYR OH O 13.552 -6.033 0.987 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 8 . 2026 . 1 1 6 GLU C C 18.760 -1.341 1.614 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 8 . 2027 . 1 1 6 GLU CA C 18.169 -0.700 0.373 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 8 . 2028 . 1 1 6 GLU CB C 19.139 0.351 -0.179 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 8 . 2029 . 1 1 6 GLU CD C 20.376 -1.345 -1.635 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 8 . 2030 . 1 1 6 GLU CG C 20.502 -0.271 -0.549 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 8 . 2031 . 1 1 6 GLU H H 16.855 0.519 1.515 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 8 . 2032 . 1 1 6 GLU HA H 17.997 -1.460 -0.370 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 8 . 2033 . 1 1 6 GLU HB2 H 18.708 0.809 -1.056 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2034 . 1 1 6 GLU HB3 H 19.297 1.107 0.573 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2035 . 1 1 6 GLU HG2 H 21.156 0.509 -0.907 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2036 . 1 1 6 GLU HG3 H 20.938 -0.714 0.335 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 2037 . 1 1 6 GLU N N 16.892 -0.086 0.742 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 8 . 2038 . 1 1 6 GLU O O 19.167 -0.640 2.540 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 8 . 2039 . 1 1 6 GLU OE1 O 19.730 -2.350 -1.395 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2040 . 1 1 6 GLU OE2 O 20.932 -1.139 -2.700 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2041 . 1 1 7 LYS C C 20.673 -3.998 2.439 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 8 . 2042 . 1 1 7 LYS CA C 19.339 -3.380 2.804 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 8 . 2043 . 1 1 7 LYS CB C 18.362 -4.458 3.282 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 8 . 2044 . 1 1 7 LYS CD C 17.940 -6.190 5.040 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 8 . 2045 . 1 1 7 LYS CE C 18.505 -6.854 6.299 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 8 . 2046 . 1 1 7 LYS CG C 18.911 -5.113 4.553 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 8 . 2047 . 1 1 7 LYS H H 18.455 -3.185 0.882 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 8 . 2048 . 1 1 7 LYS HA H 19.505 -2.687 3.603 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 8 . 2049 . 1 1 7 LYS HB2 H 17.402 -4.006 3.492 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2050 . 1 1 7 LYS HB3 H 18.247 -5.207 2.512 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2051 . 1 1 7 LYS HD2 H 16.986 -5.738 5.269 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2052 . 1 1 7 LYS HD3 H 17.811 -6.936 4.270 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 8 . 2053 . 1 1 7 LYS HE2 H 17.825 -7.623 6.636 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2054 . 1 1 7 LYS HE3 H 19.464 -7.298 6.072 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 8 . 2055 . 1 1 7 LYS HG2 H 19.873 -5.557 4.350 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2056 . 1 1 7 LYS HG3 H 19.016 -4.356 5.324 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 2057 . 1 1 7 LYS HZ1 H 18.081 -5.004 7.152 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 8 . 2058 . 1 1 7 LYS HZ2 H 19.670 -5.542 7.420 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 8 . 2059 . 1 1 7 LYS HZ3 H 18.378 -6.233 8.282 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 8 . 2060 . 1 1 7 LYS N N 18.801 -2.673 1.643 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 8 . 2061 . 1 1 7 LYS NZ N 18.671 -5.832 7.369 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 8 . 2062 . 1 1 7 LYS O O 20.745 -4.978 1.699 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 8 . 2063 . 1 1 8 . CAA C 25.260 -3.395 1.560 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 8 . 2064 . 1 1 8 . CAB C 23.163 -2.486 0.586 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 8 . 2065 . 1 1 8 . CAE C 23.067 -3.911 2.605 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 8 . 2066 . 1 1 8 . CAF C 23.879 -2.826 1.894 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 8 . 2067 . 1 1 8 . HAA H 25.144 -4.348 1.047 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 8 . 2068 . 1 1 8 . HAB H 25.824 -3.544 2.481 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 8 . 2069 . 1 1 8 . HAC H 25.794 -2.697 0.915 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 8 . 2070 . 1 1 8 . HAD H 23.191 -1.409 0.422 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 8 . 2071 . 1 1 8 . HAE H 22.125 -2.817 0.643 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 8 . 2072 . 1 1 8 . HAF H 23.658 -2.996 -0.241 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 8 . 2073 . 1 1 8 . HAG H 22.978 -4.770 1.940 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 8 . 2074 . 1 1 8 . HAH H 23.575 -4.219 3.517 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 8 . 2075 . 1 1 8 . HAI H 21.620 -2.600 3.507 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 8 . 2076 . 1 1 8 . HAL H 24.176 -0.745 2.232 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 8 . 2077 . 1 1 8 . NAC N 21.725 -3.410 2.928 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 8 . 2078 . 1 1 8 . NAD N 24.017 -1.609 2.710 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 8 . 2079 . 1 1 9 DPR C C 23.963 -1.588 4.033 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 8 . 2080 . 1 1 9 DPR CA C 24.147 -0.247 4.766 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 8 . 2081 . 1 1 9 DPR CB C 24.728 0.844 3.871 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 8 . 2082 . 1 1 9 DPR CD C 23.078 1.843 5.377 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 8 . 2083 . 1 1 9 DPR CG C 24.376 2.122 4.584 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 8 . 2084 . 1 1 9 DPR HA H 24.802 -0.386 5.610 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 8 . 2085 . 1 1 9 DPR HB2 H 25.801 0.730 3.785 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2086 . 1 1 9 DPR HB3 H 24.263 0.825 2.899 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2087 . 1 1 9 DPR HD2 H 23.206 2.097 6.423 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2088 . 1 1 9 DPR HD3 H 22.245 2.382 4.954 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 8 . 2089 . 1 1 9 DPR HG2 H 25.177 2.401 5.259 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2090 . 1 1 9 DPR HG3 H 24.205 2.915 3.868 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 2091 . 1 1 9 DPR N N 22.878 0.391 5.217 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 8 . 2092 . 1 1 9 DPR O O 23.794 -2.600 4.709 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 8 . 2093 . 1 1 10 VAL C C 21.753 -0.264 5.417 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 8 . 2094 . 1 1 10 VAL CA C 20.538 0.541 5.919 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 8 . 2095 . 1 1 10 VAL CB C 19.613 -0.357 6.768 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 8 . 2096 . 1 1 10 VAL CG1 C 18.988 -1.462 5.922 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 8 . 2097 . 1 1 10 VAL CG2 C 20.428 -0.978 7.910 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2098 . 1 1 10 VAL H H 20.053 0.925 3.887 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 8 . 2099 . 1 1 10 VAL HA H 20.891 1.339 6.554 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 8 . 2100 . 1 1 10 VAL HB H 18.822 0.233 7.182 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 8 . 2101 . 1 1 10 VAL HG11 H 19.679 -2.278 5.828 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 8 . 2102 . 1 1 10 VAL HG12 H 18.746 -1.069 4.948 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 8 . 2103 . 1 1 10 VAL HG13 H 18.083 -1.814 6.398 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 8 . 2104 . 1 1 10 VAL HG21 H 21.094 -1.727 7.509 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 8 . 2105 . 1 1 10 VAL HG22 H 19.757 -1.435 8.622 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 8 . 2106 . 1 1 10 VAL HG23 H 21.003 -0.207 8.401 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 8 . 2107 . 1 1 10 VAL N N 19.793 1.136 4.806 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 8 . 2108 . 1 1 10 VAL O O 21.678 -1.475 5.239 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 8 . 2109 . 1 1 11 GLN C C 18.787 1.985 5.025 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 8 . 2110 . 1 1 11 GLN CA C 18.102 2.579 3.787 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 8 . 2111 . 1 1 11 GLN CB C 19.103 3.493 3.069 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 8 . 2112 . 1 1 11 GLN CD C 17.942 3.266 0.813 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 8 . 2113 . 1 1 11 GLN CG C 18.443 4.232 1.887 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 8 . 2114 . 1 1 11 GLN H H 17.054 4.051 4.903 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 8 . 2115 . 1 1 11 GLN HA H 17.800 1.781 3.130 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 8 . 2116 . 1 1 11 GLN HB2 H 19.485 4.221 3.771 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2117 . 1 1 11 GLN HB3 H 19.924 2.896 2.698 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2118 . 1 1 11 GLN HE21 H 19.128 4.007 -0.598 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 8 . 2119 . 1 1 11 GLN HE22 H 18.126 2.728 -1.089 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 8 . 2120 . 1 1 11 GLN HG2 H 17.607 4.806 2.258 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2121 . 1 1 11 GLN HG3 H 19.164 4.906 1.449 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 2122 . 1 1 11 GLN N N 16.941 3.374 4.204 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 8 . 2123 . 1 1 11 GLN NE2 N 18.440 3.339 -0.391 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2124 . 1 1 11 GLN O O 18.429 2.315 6.155 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 8 . 2125 . 1 1 11 GLN OE1 O 17.081 2.428 1.065 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2126 . 1 1 12 LYS C C 15.735 3.199 3.658 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 8 . 2127 . 1 1 12 LYS CA C 14.622 4.099 4.196 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 8 . 2128 . 1 1 12 LYS CB C 14.701 4.117 5.732 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 8 . 2129 . 1 1 12 LYS CD C 14.532 2.654 7.815 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 8 . 2130 . 1 1 12 LYS CE C 13.514 3.575 8.508 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 8 . 2131 . 1 1 12 LYS CG C 14.407 2.709 6.278 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 8 . 2132 . 1 1 12 LYS H H 13.254 2.877 3.117 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 8 . 2133 . 1 1 12 LYS HA H 14.777 5.103 3.830 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 8 . 2134 . 1 1 12 LYS HB2 H 15.693 4.422 6.035 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2135 . 1 1 12 LYS HB3 H 13.985 4.814 6.111 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2136 . 1 1 12 LYS HD2 H 14.367 1.640 8.145 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2137 . 1 1 12 LYS HD3 H 15.529 2.957 8.097 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 8 . 2138 . 1 1 12 LYS HE2 H 13.707 4.600 8.248 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2139 . 1 1 12 LYS HE3 H 12.514 3.303 8.208 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 8 . 2140 . 1 1 12 LYS HG2 H 13.403 2.428 5.999 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2141 . 1 1 12 LYS HG3 H 15.102 2.006 5.847 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 2142 . 1 1 12 LYS HZ1 H 12.722 3.547 10.431 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 8 . 2143 . 1 1 12 LYS HZ2 H 14.308 4.150 10.343 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 8 . 2144 . 1 1 12 LYS HZ3 H 14.021 2.481 10.203 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 8 . 2145 . 1 1 12 LYS N N 13.306 3.629 3.746 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 8 . 2146 . 1 1 12 LYS NZ N 13.652 3.427 9.983 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 8 . 2147 . 1 1 12 LYS O O 15.507 2.365 2.781 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 8 . 2148 . 1 1 13 PHE C C 12.167 4.186 4.157 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 8 . 2149 . 1 1 13 PHE CA C 10.908 3.559 3.593 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 8 . 2150 . 1 1 13 PHE CB C 11.194 2.065 3.339 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 8 . 2151 . 1 1 13 PHE CD1 C 9.563 1.734 1.498 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 8 . 2152 . 1 1 13 PHE CD2 C 9.281 0.438 3.522 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2153 . 1 1 13 PHE CE1 C 8.429 1.128 0.956 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2154 . 1 1 13 PHE CE2 C 8.147 -0.172 2.982 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2155 . 1 1 13 PHE CG C 9.987 1.387 2.772 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 8 . 2156 . 1 1 13 PHE CZ C 7.719 0.174 1.697 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 8 . 2157 . 1 1 13 PHE H H 11.166 4.675 1.797 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 8 . 2158 . 1 1 13 PHE HA H 10.139 3.637 4.337 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 8 . 2159 . 1 1 13 PHE HB2 H 12.000 1.968 2.643 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2160 . 1 1 13 PHE HB3 H 11.472 1.588 4.270 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2161 . 1 1 13 PHE HD1 H 10.129 2.465 0.923 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 8 . 2162 . 1 1 13 PHE HD2 H 9.618 0.173 4.513 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2163 . 1 1 13 PHE HE1 H 8.102 1.394 -0.029 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 8 . 2164 . 1 1 13 PHE HE2 H 7.601 -0.907 3.556 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 8 . 2165 . 1 1 13 PHE HZ H 6.840 -0.294 1.276 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 8 . 2166 . 1 1 13 PHE N N 10.484 4.293 2.388 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 8 . 2167 . 1 1 13 PHE O O 12.104 5.140 4.932 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 8 . 2168 . 1 1 14 ILE C C 9.183 4.500 2.109 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 8 . 2169 . 1 1 14 ILE CA C 8.884 5.339 0.852 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 8 . 2170 . 1 1 14 ILE CB C 8.274 6.705 1.285 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 8 . 2171 . 1 1 14 ILE CD1 C 10.594 7.623 1.705 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 8 . 2172 . 1 1 14 ILE CG1 C 9.206 7.391 2.314 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 8 . 2173 . 1 1 14 ILE CG2 C 6.855 6.530 1.897 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2174 . 1 1 14 ILE H H 7.765 3.691 0.016 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 8 . 2175 . 1 1 14 ILE HA H 9.818 5.543 0.363 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 8 . 2176 . 1 1 14 ILE HB H 8.205 7.347 0.420 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 8 . 2177 . 1 1 14 ILE HD11 H 10.499 7.856 0.653 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 8 . 2178 . 1 1 14 ILE HD12 H 11.194 6.733 1.824 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 8 . 2179 . 1 1 14 ILE HD13 H 11.073 8.448 2.212 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 8 . 2180 . 1 1 14 ILE HG12 H 8.780 8.344 2.591 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 8 . 2181 . 1 1 14 ILE HG13 H 9.298 6.778 3.198 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 8 . 2182 . 1 1 14 ILE HG21 H 6.785 7.063 2.837 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 8 . 2183 . 1 1 14 ILE HG22 H 6.649 5.488 2.070 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 8 . 2184 . 1 1 14 ILE HG23 H 6.115 6.929 1.214 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 8 . 2185 . 1 1 14 ILE N N 8.014 4.633 -0.126 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 8 . 2186 . 1 1 14 ILE O O 8.276 4.089 2.833 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 8 . 2187 . 1 1 15 ARG C C 7.581 5.231 -1.232 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 8 . 2188 . 1 1 15 ARG CA C 6.725 4.374 -2.144 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 8 . 2189 . 1 1 15 ARG CB C 5.819 3.471 -1.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 8 . 2190 . 1 1 15 ARG CD C 4.017 3.389 0.402 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 8 . 2191 . 1 1 15 ARG CG C 4.877 4.318 -0.448 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 8 . 2192 . 1 1 15 ARG CZ C 4.367 1.701 2.114 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 8 . 2193 . 1 1 15 ARG H H 8.143 2.862 -2.603 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 8 . 2194 . 1 1 15 ARG HA H 6.114 5.018 -2.739 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 8 . 2195 . 1 1 15 ARG HB2 H 5.240 2.832 -1.944 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 8 . 2196 . 1 1 15 ARG HB3 H 6.419 2.867 -0.641 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 8 . 2197 . 1 1 15 ARG HD2 H 3.339 3.975 1.003 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 8 . 2198 . 1 1 15 ARG HD3 H 3.451 2.731 -0.243 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 8 . 2199 . 1 1 15 ARG HE H 5.855 2.714 1.225 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 8 . 2200 . 1 1 15 ARG HG2 H 5.445 4.966 0.191 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 8 . 2201 . 1 1 15 ARG HG3 H 4.240 4.907 -1.089 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 8 . 2202 . 1 1 15 ARG HH11 H 2.468 2.091 1.614 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 8 . 2203 . 1 1 15 ARG HH12 H 2.689 0.868 2.821 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 8 . 2204 . 1 1 15 ARG HH21 H 6.149 1.111 2.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 8 . 2205 . 1 1 15 ARG HH22 H 4.773 0.315 3.500 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 8 . 2206 . 1 1 15 ARG N N 7.604 3.577 -3.003 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 8 . 2207 . 1 1 15 ARG NE N 4.878 2.595 1.273 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 8 . 2208 . 1 1 15 ARG NH1 N 3.074 1.542 2.189 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 8 . 2209 . 1 1 15 ARG NH2 N 5.158 0.987 2.868 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 8 . 2210 . 1 1 15 ARG O O 7.859 6.386 -1.545 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 8 . 2211 . 1 1 16 ACE C C 7.701 3.809 -4.313 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 8 . 2212 . 1 1 16 ACE CH3 C 8.665 2.919 -5.091 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 8 . 2213 . 1 1 16 ACE H1 H 8.544 1.892 -4.779 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 8 . 2214 . 1 1 16 ACE H2 H 9.679 3.236 -4.899 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 8 . 2215 . 1 1 16 ACE H3 H 8.459 3.002 -6.148 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 8 . 2216 . 1 1 16 ACE O O 7.064 4.694 -4.882 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 9 . 2217 . 1 1 1 ACE C C 6.928 0.615 -5.318 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 9 . 2218 . 1 1 1 ACE CH3 C 7.148 1.012 -6.774 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 9 . 2219 . 1 1 1 ACE H1 H 6.446 0.483 -7.401 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 9 . 2220 . 1 1 1 ACE H2 H 8.156 0.759 -7.069 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 9 . 2221 . 1 1 1 ACE H3 H 6.997 2.076 -6.884 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 9 . 2222 . 1 1 1 ACE O O 7.250 -0.504 -4.914 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 9 . 2223 . 1 1 2 GLU C C 7.360 0.836 -2.391 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 9 . 2224 . 1 1 2 GLU CA C 6.097 1.273 -3.131 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 9 . 2225 . 1 1 2 GLU CB C 5.032 0.186 -3.015 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 9 . 2226 . 1 1 2 GLU CD C 2.676 -0.429 -3.595 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 9 . 2227 . 1 1 2 GLU CG C 3.750 0.649 -3.709 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 9 . 2228 . 1 1 2 GLU H H 6.126 2.403 -4.914 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 9 . 2229 . 1 1 2 GLU HA H 5.720 2.176 -2.675 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 9 . 2230 . 1 1 2 GLU HB2 H 5.391 -0.713 -3.488 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2231 . 1 1 2 GLU HB3 H 4.827 -0.009 -1.975 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2232 . 1 1 2 GLU HG2 H 3.397 1.557 -3.242 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2233 . 1 1 2 GLU HG3 H 3.955 0.838 -4.751 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2234 . 1 1 2 GLU N N 6.368 1.534 -4.536 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 9 . 2235 . 1 1 2 GLU O O 7.985 1.636 -1.688 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 9 . 2236 . 1 1 2 GLU OE1 O 2.321 -0.768 -2.478 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2237 . 1 1 2 GLU OE2 O 2.226 -0.900 -4.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2238 . 1 1 3 ARG C C 10.188 -0.526 -2.550 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 9 . 2239 . 1 1 3 ARG CA C 8.899 -0.979 -1.867 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 9 . 2240 . 1 1 3 ARG CB C 8.837 -2.510 -1.842 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 9 . 2241 . 1 1 3 ARG CD C 8.736 -4.582 -3.234 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 9 . 2242 . 1 1 3 ARG CG C 8.791 -3.053 -3.273 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 9 . 2243 . 1 1 3 ARG CZ C 10.092 -6.421 -2.414 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 9 . 2244 . 1 1 3 ARG H H 7.174 -1.030 -3.100 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 9 . 2245 . 1 1 3 ARG HA H 8.907 -0.622 -0.849 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 9 . 2246 . 1 1 3 ARG HB2 H 9.713 -2.897 -1.338 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2247 . 1 1 3 ARG HB3 H 7.951 -2.824 -1.312 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2248 . 1 1 3 ARG HD2 H 7.860 -4.894 -2.686 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2249 . 1 1 3 ARG HD3 H 8.679 -4.962 -4.244 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 9 . 2250 . 1 1 3 ARG HE H 10.615 -4.496 -2.257 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 9 . 2251 . 1 1 3 ARG HG2 H 7.912 -2.673 -3.774 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2252 . 1 1 3 ARG HG3 H 9.675 -2.741 -3.807 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2253 . 1 1 3 ARG HH11 H 8.362 -6.908 -3.296 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 9 . 2254 . 1 1 3 ARG HH12 H 9.308 -8.239 -2.717 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 9 . 2255 . 1 1 3 ARG HH21 H 11.861 -6.235 -1.495 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 9 . 2256 . 1 1 3 ARG HH22 H 11.289 -7.858 -1.697 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 9 . 2257 . 1 1 3 ARG N N 7.718 -0.440 -2.539 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 9 . 2258 . 1 1 3 ARG NE N 9.927 -5.113 -2.580 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 9 . 2259 . 1 1 3 ARG NH1 N 9.183 -7.254 -2.843 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 9 . 2260 . 1 1 3 ARG NH2 N 11.165 -6.873 -1.822 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 9 . 2261 . 1 1 3 ARG O O 10.268 -0.459 -3.775 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 9 . 2262 . 1 1 4 PHE C C 13.404 0.552 -1.008 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 9 . 2263 . 1 1 4 PHE CA C 12.499 0.225 -2.196 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 9 . 2264 . 1 1 4 PHE CB C 12.360 1.475 -3.076 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 9 . 2265 . 1 1 4 PHE CD1 C 14.606 1.212 -4.208 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2266 . 1 1 4 PHE CD2 C 14.171 3.217 -2.917 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2267 . 1 1 4 PHE CE1 C 15.899 1.677 -4.486 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2268 . 1 1 4 PHE CE2 C 15.454 3.683 -3.195 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2269 . 1 1 4 PHE CG C 13.741 1.984 -3.426 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 9 . 2270 . 1 1 4 PHE CZ C 16.323 2.914 -3.980 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 9 . 2271 . 1 1 4 PHE H H 11.041 -0.311 -0.760 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 9 . 2272 . 1 1 4 PHE HA H 12.953 -0.563 -2.777 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 9 . 2273 . 1 1 4 PHE HB2 H 11.834 1.223 -3.985 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2274 . 1 1 4 PHE HB3 H 11.813 2.231 -2.549 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2275 . 1 1 4 PHE HD1 H 14.277 0.262 -4.601 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2276 . 1 1 4 PHE HD2 H 13.505 3.813 -2.312 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2277 . 1 1 4 PHE HE1 H 16.568 1.083 -5.089 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2278 . 1 1 4 PHE HE2 H 15.777 4.634 -2.795 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2279 . 1 1 4 PHE HZ H 17.319 3.273 -4.194 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 9 . 2280 . 1 1 4 PHE N N 11.189 -0.225 -1.726 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 9 . 2281 . 1 1 4 PHE O O 13.609 1.726 -0.675 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 9 . 2282 . 1 1 5 TYR C C 16.183 -0.839 0.503 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 9 . 2283 . 1 1 5 TYR CA C 14.827 -0.241 0.790 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 9 . 2284 . 1 1 5 TYR CB C 14.219 -0.881 2.053 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 9 . 2285 . 1 1 5 TYR CD1 C 15.383 -3.113 1.987 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2286 . 1 1 5 TYR CD2 C 12.973 -3.056 1.780 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2287 . 1 1 5 TYR CE1 C 15.372 -4.495 1.875 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2288 . 1 1 5 TYR CE2 C 12.955 -4.448 1.666 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2289 . 1 1 5 TYR CG C 14.187 -2.387 1.944 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 9 . 2290 . 1 1 5 TYR CZ C 14.156 -5.173 1.715 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 9 . 2291 . 1 1 5 TYR H H 13.769 -1.389 -0.655 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 9 . 2292 . 1 1 5 TYR HA H 14.947 0.810 0.962 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 9 . 2293 . 1 1 5 TYR HB2 H 14.816 -0.609 2.909 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2294 . 1 1 5 TYR HB3 H 13.213 -0.513 2.189 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2295 . 1 1 5 TYR HD1 H 16.319 -2.604 2.124 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2296 . 1 1 5 TYR HD2 H 12.050 -2.497 1.742 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2297 . 1 1 5 TYR HE1 H 16.307 -5.037 1.916 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2298 . 1 1 5 TYR HE2 H 12.017 -4.962 1.542 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2299 . 1 1 5 TYR HH H 13.235 -6.845 1.718 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 9 . 2300 . 1 1 5 TYR N N 13.953 -0.473 -0.361 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 9 . 2301 . 1 1 5 TYR O O 16.313 -1.708 -0.358 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 9 . 2302 . 1 1 5 TYR OH O 14.140 -6.549 1.604 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 9 . 2303 . 1 1 6 GLU C C 19.149 -1.357 2.390 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 9 . 2304 . 1 1 6 GLU CA C 18.549 -0.925 1.053 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 9 . 2305 . 1 1 6 GLU CB C 19.437 0.144 0.405 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 9 . 2306 . 1 1 6 GLU CD C 21.720 0.654 -0.483 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 9 . 2307 . 1 1 6 GLU CG C 20.850 -0.407 0.180 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 9 . 2308 . 1 1 6 GLU H H 17.032 0.299 1.920 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 9 . 2309 . 1 1 6 GLU HA H 18.518 -1.786 0.399 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 9 . 2310 . 1 1 6 GLU HB2 H 19.010 0.437 -0.543 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2311 . 1 1 6 GLU HB3 H 19.489 1.002 1.054 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2312 . 1 1 6 GLU HG2 H 21.288 -0.682 1.128 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2313 . 1 1 6 GLU HG3 H 20.799 -1.277 -0.458 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2314 . 1 1 6 GLU N N 17.197 -0.392 1.238 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 9 . 2315 . 1 1 6 GLU O O 19.615 -0.525 3.166 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 9 . 2316 . 1 1 6 GLU OE1 O 21.373 1.083 -1.572 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2317 . 1 1 6 GLU OE2 O 22.723 1.024 0.106 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2318 . 1 1 7 LYS C C 21.073 -3.911 3.501 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 9 . 2319 . 1 1 7 LYS CA C 19.774 -3.223 3.853 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 9 . 2320 . 1 1 7 LYS CB C 18.836 -4.211 4.557 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 9 . 2321 . 1 1 7 LYS CD C 16.655 -4.499 5.736 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 9 . 2322 . 1 1 7 LYS CE C 15.393 -3.788 6.229 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 9 . 2323 . 1 1 7 LYS CG C 17.572 -3.494 5.035 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 9 . 2324 . 1 1 7 LYS H H 18.822 -3.288 1.954 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 9 . 2325 . 1 1 7 LYS HA H 19.997 -2.416 4.531 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 9 . 2326 . 1 1 7 LYS HB2 H 18.563 -4.997 3.867 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2327 . 1 1 7 LYS HB3 H 19.344 -4.642 5.406 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2328 . 1 1 7 LYS HD2 H 16.381 -5.280 5.041 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2329 . 1 1 7 LYS HD3 H 17.173 -4.932 6.579 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 9 . 2330 . 1 1 7 LYS HE2 H 14.756 -4.496 6.738 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2331 . 1 1 7 LYS HE3 H 15.670 -2.996 6.909 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 9 . 2332 . 1 1 7 LYS HG2 H 17.843 -2.710 5.729 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2333 . 1 1 7 LYS HG3 H 17.059 -3.066 4.198 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2334 . 1 1 7 LYS HZ1 H 14.934 -3.720 4.199 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 9 . 2335 . 1 1 7 LYS HZ2 H 14.908 -2.204 4.967 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 9 . 2336 . 1 1 7 LYS HZ3 H 13.640 -3.306 5.215 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 9 . 2337 . 1 1 7 LYS N N 19.177 -2.672 2.629 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 9 . 2338 . 1 1 7 LYS NZ N 14.663 -3.210 5.064 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 9 . 2339 . 1 1 7 LYS O O 21.109 -5.100 3.179 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 9 . 2340 . 1 1 8 . CAA C 25.608 -3.252 2.048 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 9 . 2341 . 1 1 8 . CAB C 23.471 -2.546 0.995 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 9 . 2342 . 1 1 8 . CAE C 23.448 -3.701 3.185 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 9 . 2343 . 1 1 8 . CAF C 24.212 -2.691 2.326 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 9 . 2344 . 1 1 8 . HAA H 25.993 -2.824 1.122 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 9 . 2345 . 1 1 8 . HAB H 25.550 -4.336 1.952 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 9 . 2346 . 1 1 8 . HAC H 26.274 -2.995 2.872 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 9 . 2347 . 1 1 8 . HAD H 22.448 -2.906 1.106 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 9 . 2348 . 1 1 8 . HAE H 23.981 -3.129 0.229 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 9 . 2349 . 1 1 8 . HAF H 23.457 -1.496 0.703 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 9 . 2350 . 1 1 8 . HAG H 23.324 -4.623 2.618 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 9 . 2351 . 1 1 8 . HAH H 24.010 -3.908 4.095 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 9 . 2352 . 1 1 8 . HAI H 22.039 -2.194 3.784 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 9 . 2353 . 1 1 8 . HAL H 24.604 -0.601 2.418 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 9 . 2354 . 1 1 8 . NAC N 22.128 -3.159 3.536 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 9 . 2355 . 1 1 8 . NAD N 24.317 -1.377 2.981 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 9 . 2356 . 1 1 9 DPR C C 24.081 -1.164 4.271 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 9 . 2357 . 1 1 9 DPR CA C 24.279 0.281 4.752 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 9 . 2358 . 1 1 9 DPR CB C 24.861 1.186 3.673 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 9 . 2359 . 1 1 9 DPR CD C 23.249 2.467 4.968 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 9 . 2360 . 1 1 9 DPR CG C 24.573 2.566 4.182 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 9 . 2361 . 1 1 9 DPR HA H 24.941 0.289 5.601 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 9 . 2362 . 1 1 9 DPR HB2 H 25.927 1.022 3.573 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2363 . 1 1 9 DPR HB3 H 24.359 1.031 2.731 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2364 . 1 1 9 DPR HD2 H 23.347 2.922 5.946 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2365 . 1 1 9 DPR HD3 H 22.444 2.922 4.419 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 9 . 2366 . 1 1 9 DPR HG2 H 25.377 2.893 4.834 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2367 . 1 1 9 DPR HG3 H 24.462 3.257 3.359 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2368 . 1 1 9 DPR N N 23.019 1.014 5.091 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 9 . 2369 . 1 1 9 DPR O O 23.753 -2.039 5.069 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 9 . 2370 . 1 1 10 VAL C C 21.885 0.426 5.435 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 9 . 2371 . 1 1 10 VAL CA C 20.681 1.329 5.797 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 9 . 2372 . 1 1 10 VAL CB C 19.860 0.685 6.932 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 9 . 2373 . 1 1 10 VAL CG1 C 19.209 -0.630 6.461 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 9 . 2374 . 1 1 10 VAL CG2 C 20.781 0.409 8.125 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2375 . 1 1 10 VAL H H 19.756 0.941 3.918 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 9 . 2376 . 1 1 10 VAL HA H 21.049 2.275 6.162 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 9 . 2377 . 1 1 10 VAL HB H 19.083 1.370 7.234 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 9 . 2378 . 1 1 10 VAL HG11 H 18.305 -0.807 7.030 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 9 . 2379 . 1 1 10 VAL HG12 H 19.886 -1.456 6.615 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 9 . 2380 . 1 1 10 VAL HG13 H 18.956 -0.557 5.414 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 9 . 2381 . 1 1 10 VAL HG21 H 20.185 0.147 8.987 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 9 . 2382 . 1 1 10 VAL HG22 H 21.362 1.293 8.344 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 9 . 2383 . 1 1 10 VAL HG23 H 21.445 -0.408 7.886 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 9 . 2384 . 1 1 10 VAL N N 19.791 1.583 4.658 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 9 . 2385 . 1 1 10 VAL O O 21.791 -0.797 5.497 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 9 . 2386 . 1 1 11 GLN C C 18.995 2.658 4.642 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 9 . 2387 . 1 1 11 GLN CA C 18.057 2.819 3.445 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 9 . 2388 . 1 1 11 GLN CB C 18.302 4.119 2.635 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 9 . 2389 . 1 1 11 GLN CD C 20.837 4.319 2.971 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 9 . 2390 . 1 1 11 GLN CG C 19.692 4.171 1.970 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 9 . 2391 . 1 1 11 GLN H H 16.557 2.935 4.927 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 9 . 2392 . 1 1 11 GLN HA H 18.164 1.965 2.792 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 9 . 2393 . 1 1 11 GLN HB2 H 17.549 4.195 1.865 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2394 . 1 1 11 GLN HB3 H 18.202 4.965 3.300 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2395 . 1 1 11 GLN HE21 H 19.670 4.687 4.530 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 9 . 2396 . 1 1 11 GLN HE22 H 21.336 4.676 4.856 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 9 . 2397 . 1 1 11 GLN HG2 H 19.841 3.265 1.406 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2398 . 1 1 11 GLN HG3 H 19.715 5.008 1.286 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2399 . 1 1 11 GLN N N 16.694 2.863 3.961 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 9 . 2400 . 1 1 11 GLN NE2 N 20.595 4.581 4.221 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2401 . 1 1 11 GLN O O 18.964 3.469 5.568 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 9 . 2402 . 1 1 11 GLN OE1 O 22.001 4.286 2.572 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2403 . 1 1 12 LYS C C 15.630 2.815 3.161 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 9 . 2404 . 1 1 12 LYS CA C 14.279 2.879 3.877 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 9 . 2405 . 1 1 12 LYS CB C 14.318 1.914 5.070 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 9 . 2406 . 1 1 12 LYS CD C 13.099 1.067 7.075 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 9 . 2407 . 1 1 12 LYS CE C 11.817 1.180 7.901 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 9 . 2408 . 1 1 12 LYS CG C 13.028 2.026 5.884 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 9 . 2409 . 1 1 12 LYS H H 13.257 1.827 2.316 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 9 . 2410 . 1 1 12 LYS HA H 14.142 3.882 4.257 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 9 . 2411 . 1 1 12 LYS HB2 H 14.425 0.902 4.708 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2412 . 1 1 12 LYS HB3 H 15.158 2.158 5.701 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2413 . 1 1 12 LYS HD2 H 13.208 0.054 6.714 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2414 . 1 1 12 LYS HD3 H 13.946 1.323 7.692 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 9 . 2415 . 1 1 12 LYS HE2 H 11.875 0.513 8.748 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2416 . 1 1 12 LYS HE3 H 11.704 2.196 8.250 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 9 . 2417 . 1 1 12 LYS HG2 H 12.910 3.039 6.242 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2418 . 1 1 12 LYS HG3 H 12.184 1.760 5.266 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2419 . 1 1 12 LYS HZ1 H 9.817 0.650 7.663 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 9 . 2420 . 1 1 12 LYS HZ2 H 10.862 -0.058 6.525 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 9 . 2421 . 1 1 12 LYS HZ3 H 10.441 1.583 6.391 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 9 . 2422 . 1 1 12 LYS N N 13.149 2.536 2.998 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 9 . 2423 . 1 1 12 LYS NZ N 10.645 0.811 7.056 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 9 . 2424 . 1 1 12 LYS O O 15.712 2.727 1.938 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 9 . 2425 . 1 1 13 PHE C C 11.964 3.170 3.121 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 9 . 2426 . 1 1 13 PHE CA C 10.850 2.712 2.186 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 9 . 2427 . 1 1 13 PHE CB C 11.392 2.387 0.801 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 9 . 2428 . 1 1 13 PHE CD1 C 12.939 4.399 0.529 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2429 . 1 1 13 PHE CD2 C 11.099 4.113 -1.012 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2430 . 1 1 13 PHE CE1 C 13.297 5.577 -0.120 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2431 . 1 1 13 PHE CE2 C 11.467 5.290 -1.666 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2432 . 1 1 13 PHE CG C 11.836 3.654 0.085 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 9 . 2433 . 1 1 13 PHE CZ C 12.566 6.022 -1.222 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 9 . 2434 . 1 1 13 PHE H H 9.947 4.632 1.989 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 9 . 2435 . 1 1 13 PHE HA H 10.457 1.808 2.595 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 9 . 2436 . 1 1 13 PHE HB2 H 12.222 1.725 0.923 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2437 . 1 1 13 PHE HB3 H 10.624 1.891 0.220 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2438 . 1 1 13 PHE HD1 H 13.527 4.060 1.350 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2439 . 1 1 13 PHE HD2 H 10.248 3.550 -1.359 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2440 . 1 1 13 PHE HE1 H 14.140 6.139 0.233 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 9 . 2441 . 1 1 13 PHE HE2 H 10.911 5.626 -2.519 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 9 . 2442 . 1 1 13 PHE HZ H 12.842 6.936 -1.723 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 9 . 2443 . 1 1 13 PHE N N 9.751 3.675 2.055 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 9 . 2444 . 1 1 13 PHE O O 11.760 4.051 3.956 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 9 . 2445 . 1 1 14 ILE C C 8.486 3.245 1.978 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 9 . 2446 . 1 1 14 ILE CA C 7.398 4.293 1.788 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 9 . 2447 . 1 1 14 ILE CB C 6.094 3.743 2.423 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 9 . 2448 . 1 1 14 ILE CD1 C 5.144 6.041 3.076 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 9 . 2449 . 1 1 14 ILE CG1 C 4.894 4.720 2.311 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 9 . 2450 . 1 1 14 ILE CG2 C 6.346 3.447 3.905 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2451 . 1 1 14 ILE H H 7.668 3.867 -0.276 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 9 . 2452 . 1 1 14 ILE HA H 7.695 5.207 2.273 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 9 . 2453 . 1 1 14 ILE HB H 5.839 2.815 1.927 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 9 . 2454 . 1 1 14 ILE HD11 H 6.077 6.002 3.616 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 9 . 2455 . 1 1 14 ILE HD12 H 4.342 6.192 3.783 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 9 . 2456 . 1 1 14 ILE HD13 H 5.160 6.867 2.386 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 9 . 2457 . 1 1 14 ILE HG12 H 4.701 4.938 1.275 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 9 . 2458 . 1 1 14 ILE HG13 H 4.021 4.240 2.729 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 9 . 2459 . 1 1 14 ILE HG21 H 6.830 4.296 4.365 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 9 . 2460 . 1 1 14 ILE HG22 H 6.982 2.578 3.997 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 9 . 2461 . 1 1 14 ILE HG23 H 5.405 3.257 4.402 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 9 . 2462 . 1 1 14 ILE N N 7.266 4.524 0.343 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 9 . 2463 . 1 1 14 ILE O O 8.194 2.050 2.011 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 9 . 2464 . 1 1 15 ARG C C 6.684 5.571 -0.204 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 9 . 2465 . 1 1 15 ARG CA C 6.750 5.533 -1.713 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 9 . 2466 . 1 1 15 ARG CB C 8.087 6.144 -2.129 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 9 . 2467 . 1 1 15 ARG CD C 8.564 4.527 -4.040 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 9 . 2468 . 1 1 15 ARG CG C 8.368 5.998 -3.629 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 9 . 2469 . 1 1 15 ARG CZ C 9.154 3.275 -6.030 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 9 . 2470 . 1 1 15 ARG H H 5.282 7.049 -1.953 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 9 . 2471 . 1 1 15 ARG HA H 6.734 4.501 -2.001 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 9 . 2472 . 1 1 15 ARG HB2 H 8.084 7.194 -1.878 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 9 . 2473 . 1 1 15 ARG HB3 H 8.875 5.658 -1.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 9 . 2474 . 1 1 15 ARG HD2 H 9.349 4.087 -3.448 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 9 . 2475 . 1 1 15 ARG HD3 H 7.654 3.974 -3.893 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 9 . 2476 . 1 1 15 ARG HE H 8.999 5.266 -5.975 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 9 . 2477 . 1 1 15 ARG HG2 H 7.532 6.400 -4.170 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 9 . 2478 . 1 1 15 ARG HG3 H 9.253 6.554 -3.873 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 9 . 2479 . 1 1 15 ARG HH11 H 8.871 2.223 -4.351 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 9 . 2480 . 1 1 15 ARG HH12 H 9.266 1.294 -5.758 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 9 . 2481 . 1 1 15 ARG HH21 H 9.511 4.061 -7.836 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 9 . 2482 . 1 1 15 ARG HH22 H 9.624 2.336 -7.736 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 9 . 2483 . 1 1 15 ARG N N 5.624 6.222 -2.351 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 9 . 2484 . 1 1 15 ARG NE N 8.926 4.446 -5.449 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 9 . 2485 . 1 1 15 ARG NH1 N 9.091 2.179 -5.326 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 9 . 2486 . 1 1 15 ARG NH2 N 9.453 3.220 -7.299 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 9 . 2487 . 1 1 15 ARG O O 6.180 6.506 0.407 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 9 . 2488 . 1 1 16 ACE C C 5.054 5.747 -3.461 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 9 . 2489 . 1 1 16 ACE CH3 C 3.890 6.560 -4.021 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 9 . 2490 . 1 1 16 ACE H1 H 2.974 6.256 -3.537 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 9 . 2491 . 1 1 16 ACE H2 H 3.810 6.388 -5.084 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 9 . 2492 . 1 1 16 ACE H3 H 4.063 7.611 -3.838 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 9 . 2493 . 1 1 16 ACE O O 5.426 4.713 -4.019 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 . 10 . 2494 . 1 1 1 ACE C C 7.678 1.387 -3.936 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25764_2n6h 1 . 10 . 2495 . 1 1 1 ACE CH3 C 8.036 1.206 -5.408 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 10 . 2496 . 1 1 1 ACE H1 H 8.882 1.829 -5.652 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25764_2n6h 1 . 10 . 2497 . 1 1 1 ACE H2 H 7.192 1.488 -6.021 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25764_2n6h 1 . 10 . 2498 . 1 1 1 ACE H3 H 8.284 0.171 -5.593 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25764_2n6h 1 . 10 . 2499 . 1 1 1 ACE O O 8.524 1.761 -3.125 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25764_2n6h 1 . 10 . 2500 . 1 1 2 GLU C C 6.914 0.607 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25764_2n6h 1 . 10 . 2501 . 1 1 2 GLU CA C 5.948 1.268 -2.227 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25764_2n6h 1 . 10 . 2502 . 1 1 2 GLU CB C 4.560 0.635 -2.089 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25764_2n6h 1 . 10 . 2503 . 1 1 2 GLU CD C 3.238 -1.475 -2.332 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25764_2n6h 1 . 10 . 2504 . 1 1 2 GLU CG C 4.625 -0.853 -2.448 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25764_2n6h 1 . 10 . 2505 . 1 1 2 GLU H H 5.789 0.835 -4.294 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25764_2n6h 1 . 10 . 2506 . 1 1 2 GLU HA H 5.867 2.313 -1.989 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25764_2n6h 1 . 10 . 2507 . 1 1 2 GLU HB2 H 4.217 0.742 -1.070 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2508 . 1 1 2 GLU HB3 H 3.870 1.133 -2.754 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2509 . 1 1 2 GLU HG2 H 4.985 -0.963 -3.462 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2510 . 1 1 2 GLU HG3 H 5.297 -1.357 -1.773 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2511 . 1 1 2 GLU N N 6.418 1.122 -3.602 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25764_2n6h 1 . 10 . 2512 . 1 1 2 GLU O O 7.095 1.085 -0.126 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25764_2n6h 1 . 10 . 2513 . 1 1 2 GLU OE1 O 2.345 -1.023 -3.031 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2514 . 1 1 2 GLU OE2 O 3.087 -2.398 -1.547 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2515 . 1 1 3 ARG C C 9.927 -0.878 -1.141 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25764_2n6h 1 . 10 . 2516 . 1 1 3 ARG CA C 8.477 -1.232 -0.838 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25764_2n6h 1 . 10 . 2517 . 1 1 3 ARG CB C 8.296 -2.735 -1.056 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25764_2n6h 1 . 10 . 2518 . 1 1 3 ARG CD C 8.399 -4.578 -2.735 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25764_2n6h 1 . 10 . 2519 . 1 1 3 ARG CG C 8.507 -3.069 -2.539 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25764_2n6h 1 . 10 . 2520 . 1 1 3 ARG CZ C 9.561 -6.567 -1.964 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25764_2n6h 1 . 10 . 2521 . 1 1 3 ARG H H 7.345 -0.818 -2.585 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25764_2n6h 1 . 10 . 2522 . 1 1 3 ARG HA H 8.276 -1.011 0.199 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25764_2n6h 1 . 10 . 2523 . 1 1 3 ARG HB2 H 9.018 -3.273 -0.459 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2524 . 1 1 3 ARG HB3 H 7.298 -3.024 -0.762 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2525 . 1 1 3 ARG HD2 H 7.436 -4.919 -2.388 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2526 . 1 1 3 ARG HD3 H 8.507 -4.812 -3.784 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 10 . 2527 . 1 1 3 ARG HE H 10.095 -4.698 -1.471 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25764_2n6h 1 . 10 . 2528 . 1 1 3 ARG HG2 H 7.754 -2.573 -3.131 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2529 . 1 1 3 ARG HG3 H 9.486 -2.740 -2.852 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2530 . 1 1 3 ARG HH11 H 7.981 -6.862 -3.158 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 10 . 2531 . 1 1 3 ARG HH12 H 8.796 -8.295 -2.625 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 10 . 2532 . 1 1 3 ARG HH21 H 11.169 -6.574 -0.772 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 10 . 2533 . 1 1 3 ARG HH22 H 10.602 -8.132 -1.274 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 10 . 2534 . 1 1 3 ARG N N 7.532 -0.491 -1.680 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25764_2n6h 1 . 10 . 2535 . 1 1 3 ARG NE N 9.451 -5.242 -1.976 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25764_2n6h 1 . 10 . 2536 . 1 1 3 ARG NH1 N 8.713 -7.298 -2.634 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 10 . 2537 . 1 1 3 ARG NH2 N 10.519 -7.135 -1.283 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 10 . 2538 . 1 1 3 ARG O O 10.819 -1.696 -0.914 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25764_2n6h 1 . 10 . 2539 . 1 1 4 PHE C C 12.419 0.657 -0.712 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25764_2n6h 1 . 10 . 2540 . 1 1 4 PHE CA C 11.558 0.680 -1.968 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25764_2n6h 1 . 10 . 2541 . 1 1 4 PHE CB C 11.648 2.083 -2.580 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25764_2n6h 1 . 10 . 2542 . 1 1 4 PHE CD1 C 13.816 1.633 -3.800 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2543 . 1 1 4 PHE CD2 C 13.764 3.401 -2.141 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2544 . 1 1 4 PHE CE1 C 15.175 1.890 -4.026 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2545 . 1 1 4 PHE CE2 C 15.120 3.660 -2.369 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2546 . 1 1 4 PHE CG C 13.107 2.391 -2.859 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25764_2n6h 1 . 10 . 2547 . 1 1 4 PHE CZ C 15.827 2.903 -3.312 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25764_2n6h 1 . 10 . 2548 . 1 1 4 PHE H H 9.451 0.943 -1.833 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25764_2n6h 1 . 10 . 2549 . 1 1 4 PHE HA H 11.953 -0.038 -2.673 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25764_2n6h 1 . 10 . 2550 . 1 1 4 PHE HB2 H 11.086 2.114 -3.503 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2551 . 1 1 4 PHE HB3 H 11.249 2.811 -1.888 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2552 . 1 1 4 PHE HD1 H 13.314 0.854 -4.355 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2553 . 1 1 4 PHE HD2 H 13.223 3.984 -1.415 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2554 . 1 1 4 PHE HE1 H 15.720 1.304 -4.750 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2555 . 1 1 4 PHE HE2 H 15.624 4.439 -1.812 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2556 . 1 1 4 PHE HZ H 16.874 3.099 -3.488 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25764_2n6h 1 . 10 . 2557 . 1 1 4 PHE N N 10.182 0.316 -1.656 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25764_2n6h 1 . 10 . 2558 . 1 1 4 PHE O O 12.110 1.320 0.283 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25764_2n6h 1 . 10 . 2559 . 1 1 5 TYR C C 15.818 -0.417 -0.194 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25764_2n6h 1 . 10 . 2560 . 1 1 5 TYR CA C 14.440 -0.120 0.357 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25764_2n6h 1 . 10 . 2561 . 1 1 5 TYR CB C 14.018 -1.226 1.352 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25764_2n6h 1 . 10 . 2562 . 1 1 5 TYR CD1 C 15.575 -3.087 0.682 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2563 . 1 1 5 TYR CD2 C 13.192 -3.408 0.382 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2564 . 1 1 5 TYR CE1 C 15.824 -4.350 0.163 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2565 . 1 1 5 TYR CE2 C 13.438 -4.681 -0.140 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2566 . 1 1 5 TYR CG C 14.259 -2.612 0.798 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25764_2n6h 1 . 10 . 2567 . 1 1 5 TYR CZ C 14.755 -5.156 -0.250 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25764_2n6h 1 . 10 . 2568 . 1 1 5 TYR H H 13.749 -0.552 -1.597 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25764_2n6h 1 . 10 . 2569 . 1 1 5 TYR HA H 14.456 0.830 0.863 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25764_2n6h 1 . 10 . 2570 . 1 1 5 TYR HB2 H 14.582 -1.118 2.263 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2571 . 1 1 5 TYR HB3 H 12.966 -1.119 1.570 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2572 . 1 1 5 TYR HD1 H 16.400 -2.480 1.019 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2573 . 1 1 5 TYR HD2 H 12.180 -3.039 0.466 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2574 . 1 1 5 TYR HE1 H 16.846 -4.700 0.085 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2575 . 1 1 5 TYR HE2 H 12.613 -5.296 -0.456 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2576 . 1 1 5 TYR HH H 15.735 -6.794 -0.285 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25764_2n6h 1 . 10 . 2577 . 1 1 5 TYR N N 13.529 -0.070 -0.774 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25764_2n6h 1 . 10 . 2578 . 1 1 5 TYR O O 15.947 -0.927 -1.307 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25764_2n6h 1 . 10 . 2579 . 1 1 5 TYR OH O 14.998 -6.413 -0.767 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25764_2n6h 1 . 10 . 2580 . 1 1 6 GLU C C 18.897 -1.047 1.395 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25764_2n6h 1 . 10 . 2581 . 1 1 6 GLU CA C 18.203 -0.468 0.167 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25764_2n6h 1 . 10 . 2582 . 1 1 6 GLU CB C 18.900 0.808 -0.328 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25764_2n6h 1 . 10 . 2583 . 1 1 6 GLU CD C 21.175 -0.211 0.035 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25764_2n6h 1 . 10 . 2584 . 1 1 6 GLU CG C 20.256 0.471 -0.962 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25764_2n6h 1 . 10 . 2585 . 1 1 6 GLU H H 16.689 0.211 1.485 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25764_2n6h 1 . 10 . 2586 . 1 1 6 GLU HA H 18.191 -1.211 -0.623 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25764_2n6h 1 . 10 . 2587 . 1 1 6 GLU HB2 H 18.275 1.295 -1.061 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2588 . 1 1 6 GLU HB3 H 19.054 1.472 0.505 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2589 . 1 1 6 GLU HG2 H 20.098 -0.187 -1.804 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2590 . 1 1 6 GLU HG3 H 20.722 1.382 -1.309 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2591 . 1 1 6 GLU N N 16.845 -0.158 0.590 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25764_2n6h 1 . 10 . 2592 . 1 1 6 GLU O O 19.087 -0.347 2.390 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25764_2n6h 1 . 10 . 2593 . 1 1 6 GLU OE1 O 21.478 0.392 1.051 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2594 . 1 1 6 GLU OE2 O 21.534 -1.344 -0.224 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2595 . 1 1 7 LYS C C 21.279 -3.353 2.204 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25764_2n6h 1 . 10 . 2596 . 1 1 7 LYS CA C 19.829 -3.008 2.506 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25764_2n6h 1 . 10 . 2597 . 1 1 7 LYS CB C 19.001 -4.275 2.812 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25764_2n6h 1 . 10 . 2598 . 1 1 7 LYS CD C 20.822 -5.441 4.223 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25764_2n6h 1 . 10 . 2599 . 1 1 7 LYS CE C 21.025 -6.236 5.517 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25764_2n6h 1 . 10 . 2600 . 1 1 7 LYS CG C 19.362 -4.968 4.153 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25764_2n6h 1 . 10 . 2601 . 1 1 7 LYS H H 19.005 -2.864 0.550 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25764_2n6h 1 . 10 . 2602 . 1 1 7 LYS HA H 19.804 -2.360 3.358 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25764_2n6h 1 . 10 . 2603 . 1 1 7 LYS HB2 H 17.957 -4.003 2.842 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2604 . 1 1 7 LYS HB3 H 19.147 -4.982 2.007 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2605 . 1 1 7 LYS HD2 H 21.054 -6.061 3.371 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2606 . 1 1 7 LYS HD3 H 21.480 -4.595 4.251 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 10 . 2607 . 1 1 7 LYS HE2 H 20.355 -7.082 5.528 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2608 . 1 1 7 LYS HE3 H 22.046 -6.584 5.569 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 10 . 2609 . 1 1 7 LYS HG2 H 19.180 -4.275 4.963 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2610 . 1 1 7 LYS HG3 H 18.713 -5.821 4.283 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2611 . 1 1 7 LYS HZ1 H 19.712 -5.233 6.784 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 10 . 2612 . 1 1 7 LYS HZ2 H 21.193 -4.435 6.548 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 10 . 2613 . 1 1 7 LYS HZ3 H 21.113 -5.804 7.552 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 10 . 2614 . 1 1 7 LYS N N 19.220 -2.341 1.350 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25764_2n6h 1 . 10 . 2615 . 1 1 7 LYS NZ N 20.739 -5.361 6.689 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25764_2n6h 1 . 10 . 2616 . 1 1 7 LYS O O 21.575 -4.150 1.313 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25764_2n6h 1 . 10 . 2617 . 1 1 8 . CAA C 25.844 -2.172 2.201 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25764_2n6h 1 . 10 . 2618 . 1 1 8 . CAB C 23.913 -1.714 0.708 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25764_2n6h 1 . 10 . 2619 . 1 1 8 . CAE C 23.605 -3.066 2.766 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25764_2n6h 1 . 10 . 2620 . 1 1 8 . CAF C 24.345 -1.868 2.168 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25764_2n6h 1 . 10 . 2621 . 1 1 8 . HAA H 26.028 -3.143 1.742 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25764_2n6h 1 . 10 . 2622 . 1 1 8 . HAB H 26.188 -2.190 3.236 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25764_2n6h 1 . 10 . 2623 . 1 1 8 . HAC H 26.385 -1.402 1.651 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25764_2n6h 1 . 10 . 2624 . 1 1 8 . HAD H 23.456 -0.735 0.565 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25764_2n6h 1 . 10 . 2625 . 1 1 8 . HAE H 23.191 -2.490 0.458 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25764_2n6h 1 . 10 . 2626 . 1 1 8 . HAF H 24.784 -1.809 0.059 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25764_2n6h 1 . 10 . 2627 . 1 1 8 . HAG H 23.707 -3.912 2.086 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25764_2n6h 1 . 10 . 2628 . 1 1 8 . HAH H 24.052 -3.327 3.724 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25764_2n6h 1 . 10 . 2629 . 1 1 8 . HAI H 21.890 -2.149 3.684 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25764_2n6h 1 . 10 . 2630 . 1 1 8 . HAL H 24.021 0.231 2.396 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25764_2n6h 1 . 10 . 2631 . 1 1 8 . NAC N 22.177 -2.775 2.960 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25764_2n6h 1 . 10 . 2632 . 1 1 8 . NAD N 24.075 -0.626 2.908 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25764_2n6h 1 . 10 . 2633 . 1 1 9 DPR C C 23.942 -0.592 4.219 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25764_2n6h 1 . 10 . 2634 . 1 1 9 DPR CA C 23.713 0.775 4.894 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25764_2n6h 1 . 10 . 2635 . 1 1 9 DPR CB C 23.971 1.948 3.957 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25764_2n6h 1 . 10 . 2636 . 1 1 9 DPR CD C 22.173 2.514 5.526 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25764_2n6h 1 . 10 . 2637 . 1 1 9 DPR CG C 23.292 3.111 4.637 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25764_2n6h 1 . 10 . 2638 . 1 1 9 DPR HA H 24.371 0.867 5.742 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25764_2n6h 1 . 10 . 2639 . 1 1 9 DPR HB2 H 25.035 2.123 3.854 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2640 . 1 1 9 DPR HB3 H 23.519 1.769 2.994 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2641 . 1 1 9 DPR HD2 H 22.331 2.769 6.567 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2642 . 1 1 9 DPR HD3 H 21.204 2.847 5.197 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25764_2n6h 1 . 10 . 2643 . 1 1 9 DPR HG2 H 24.008 3.651 5.248 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2644 . 1 1 9 DPR HG3 H 22.861 3.776 3.902 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2645 . 1 1 9 DPR N N 22.313 1.064 5.320 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25764_2n6h 1 . 10 . 2646 . 1 1 9 DPR O O 24.040 -1.600 4.918 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25764_2n6h 1 . 10 . 2647 . 1 1 10 VAL C C 21.371 0.157 5.463 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25764_2n6h 1 . 10 . 2648 . 1 1 10 VAL CA C 19.981 0.634 5.957 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25764_2n6h 1 . 10 . 2649 . 1 1 10 VAL CB C 19.273 -0.493 6.738 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25764_2n6h 1 . 10 . 2650 . 1 1 10 VAL CG1 C 18.934 -1.665 5.821 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25764_2n6h 1 . 10 . 2651 . 1 1 10 VAL CG2 C 20.184 -0.976 7.869 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2652 . 1 1 10 VAL H H 18.935 0.454 4.109 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25764_2n6h 1 . 10 . 2653 . 1 1 10 VAL HA H 20.125 1.458 6.642 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25764_2n6h 1 . 10 . 2654 . 1 1 10 VAL HB H 18.359 -0.117 7.156 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25764_2n6h 1 . 10 . 2655 . 1 1 10 VAL HG11 H 18.556 -1.286 4.885 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25764_2n6h 1 . 10 . 2656 . 1 1 10 VAL HG12 H 18.178 -2.279 6.289 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25764_2n6h 1 . 10 . 2657 . 1 1 10 VAL HG13 H 19.811 -2.256 5.651 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25764_2n6h 1 . 10 . 2658 . 1 1 10 VAL HG21 H 20.973 -1.588 7.458 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25764_2n6h 1 . 10 . 2659 . 1 1 10 VAL HG22 H 19.608 -1.558 8.572 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25764_2n6h 1 . 10 . 2660 . 1 1 10 VAL HG23 H 20.615 -0.124 8.375 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25764_2n6h 1 . 10 . 2661 . 1 1 10 VAL N N 19.123 1.077 4.842 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25764_2n6h 1 . 10 . 2662 . 1 1 10 VAL O O 21.595 -1.030 5.248 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25764_2n6h 1 . 10 . 2663 . 1 1 11 GLN C C 18.589 2.312 4.806 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25764_2n6h 1 . 10 . 2664 . 1 1 11 GLN CA C 17.712 2.650 3.592 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25764_2n6h 1 . 10 . 2665 . 1 1 11 GLN CB C 18.114 4.015 3.012 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25764_2n6h 1 . 10 . 2666 . 1 1 11 GLN CD C 19.935 5.378 1.982 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25764_2n6h 1 . 10 . 2667 . 1 1 11 GLN CG C 19.568 4.010 2.547 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25764_2n6h 1 . 10 . 2668 . 1 1 11 GLN H H 16.003 3.517 4.495 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25764_2n6h 1 . 10 . 2669 . 1 1 11 GLN HA H 17.841 1.892 2.833 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25764_2n6h 1 . 10 . 2670 . 1 1 11 GLN HB2 H 17.475 4.245 2.172 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2671 . 1 1 11 GLN HB3 H 17.986 4.773 3.771 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2672 . 1 1 11 GLN HE21 H 21.381 5.698 3.305 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25764_2n6h 1 . 10 . 2673 . 1 1 11 GLN HE22 H 21.141 6.943 2.176 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25764_2n6h 1 . 10 . 2674 . 1 1 11 GLN HG2 H 20.210 3.781 3.376 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2675 . 1 1 11 GLN HG3 H 19.691 3.268 1.778 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2676 . 1 1 11 GLN N N 16.300 2.742 3.974 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25764_2n6h 1 . 10 . 2677 . 1 1 11 GLN NE2 N 20.899 6.063 2.533 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2678 . 1 1 11 GLN O O 18.779 3.146 5.691 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25764_2n6h 1 . 10 . 2679 . 1 1 11 GLN OE1 O 19.323 5.837 1.017 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2680 . 1 1 12 LYS C C 15.398 1.837 3.601 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25764_2n6h 1 . 10 . 2681 . 1 1 12 LYS CA C 13.963 2.122 4.042 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25764_2n6h 1 . 10 . 2682 . 1 1 12 LYS CB C 13.223 0.795 4.326 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25764_2n6h 1 . 10 . 2683 . 1 1 12 LYS CD C 11.895 1.134 6.544 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25764_2n6h 1 . 10 . 2684 . 1 1 12 LYS CE C 12.800 2.248 7.082 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25764_2n6h 1 . 10 . 2685 . 1 1 12 LYS CG C 11.841 1.001 4.989 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25764_2n6h 1 . 10 . 2686 . 1 1 12 LYS H H 13.563 2.698 2.044 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25764_2n6h 1 . 10 . 2687 . 1 1 12 LYS HA H 13.990 2.734 4.910 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25764_2n6h 1 . 10 . 2688 . 1 1 12 LYS HB2 H 13.086 0.273 3.395 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2689 . 1 1 12 LYS HB3 H 13.837 0.188 4.977 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2690 . 1 1 12 LYS HD2 H 10.896 1.315 6.902 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2691 . 1 1 12 LYS HD3 H 12.233 0.190 6.950 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25764_2n6h 1 . 10 . 2692 . 1 1 12 LYS HE2 H 12.685 2.289 8.157 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2693 . 1 1 12 LYS HE3 H 13.829 2.031 6.859 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25764_2n6h 1 . 10 . 2694 . 1 1 12 LYS HG2 H 11.402 1.894 4.590 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2695 . 1 1 12 LYS HG3 H 11.206 0.162 4.738 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2696 . 1 1 12 LYS HZ1 H 13.220 4.003 6.053 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25764_2n6h 1 . 10 . 2697 . 1 1 12 LYS HZ2 H 12.064 4.181 7.285 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25764_2n6h 1 . 10 . 2698 . 1 1 12 LYS HZ3 H 11.643 3.428 5.821 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25764_2n6h 1 . 10 . 2699 . 1 1 12 LYS N N 13.295 2.882 2.971 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25764_2n6h 1 . 10 . 2700 . 1 1 12 LYS NZ N 12.402 3.564 6.518 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25764_2n6h 1 . 10 . 2701 . 1 1 12 LYS O O 15.670 0.857 2.911 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25764_2n6h 1 . 10 . 2702 . 1 1 13 PHE C C 12.383 3.837 3.176 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25764_2n6h 1 . 10 . 2703 . 1 1 13 PHE CA C 11.893 4.523 1.899 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25764_2n6h 1 . 10 . 2704 . 1 1 13 PHE CB C 12.177 6.040 2.041 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25764_2n6h 1 . 10 . 2705 . 1 1 13 PHE CD1 C 11.614 6.223 -0.472 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2706 . 1 1 13 PHE CD2 C 12.151 8.221 0.801 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2707 . 1 1 13 PHE CE1 C 11.470 7.011 -1.623 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2708 . 1 1 13 PHE CE2 C 12.007 8.996 -0.353 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2709 . 1 1 13 PHE CG C 11.958 6.832 0.755 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25764_2n6h 1 . 10 . 2710 . 1 1 13 PHE CZ C 11.669 8.392 -1.563 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25764_2n6h 1 . 10 . 2711 . 1 1 13 PHE H H 10.294 3.439 0.993 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25764_2n6h 1 . 10 . 2712 . 1 1 13 PHE HA H 12.507 4.147 1.093 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25764_2n6h 1 . 10 . 2713 . 1 1 13 PHE HB2 H 11.566 6.455 2.817 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2714 . 1 1 13 PHE HB3 H 13.211 6.160 2.337 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2715 . 1 1 13 PHE HD1 H 11.448 5.165 -0.538 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2716 . 1 1 13 PHE HD2 H 12.415 8.695 1.736 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2717 . 1 1 13 PHE HE1 H 11.221 6.547 -2.563 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25764_2n6h 1 . 10 . 2718 . 1 1 13 PHE HE2 H 12.159 10.064 -0.308 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25764_2n6h 1 . 10 . 2719 . 1 1 13 PHE HZ H 11.559 8.992 -2.453 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25764_2n6h 1 . 10 . 2720 . 1 1 13 PHE N N 10.478 4.203 1.570 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25764_2n6h 1 . 10 . 2721 . 1 1 13 PHE O O 11.997 4.194 4.284 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25764_2n6h 1 . 10 . 2722 . 1 1 14 ILE C C 9.429 4.895 2.012 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25764_2n6h 1 . 10 . 2723 . 1 1 14 ILE CA C 8.066 4.383 1.545 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25764_2n6h 1 . 10 . 2724 . 1 1 14 ILE CB C 7.698 3.029 2.196 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25764_2n6h 1 . 10 . 2725 . 1 1 14 ILE CD1 C 8.841 3.558 4.446 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25764_2n6h 1 . 10 . 2726 . 1 1 14 ILE CG1 C 7.549 3.129 3.739 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25764_2n6h 1 . 10 . 2727 . 1 1 14 ILE CG2 C 8.761 1.980 1.844 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2728 . 1 1 14 ILE H H 8.460 3.399 -0.306 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25764_2n6h 1 . 10 . 2729 . 1 1 14 ILE HA H 7.327 5.106 1.816 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25764_2n6h 1 . 10 . 2730 . 1 1 14 ILE HB H 6.754 2.704 1.777 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25764_2n6h 1 . 10 . 2731 . 1 1 14 ILE HD11 H 8.870 3.111 5.430 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25764_2n6h 1 . 10 . 2732 . 1 1 14 ILE HD12 H 8.860 4.629 4.546 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25764_2n6h 1 . 10 . 2733 . 1 1 14 ILE HD13 H 9.696 3.229 3.885 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25764_2n6h 1 . 10 . 2734 . 1 1 14 ILE HG12 H 6.778 3.848 3.967 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25764_2n6h 1 . 10 . 2735 . 1 1 14 ILE HG13 H 7.247 2.164 4.119 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25764_2n6h 1 . 10 . 2736 . 1 1 14 ILE HG21 H 8.367 0.992 2.028 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25764_2n6h 1 . 10 . 2737 . 1 1 14 ILE HG22 H 9.641 2.133 2.450 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25764_2n6h 1 . 10 . 2738 . 1 1 14 ILE HG23 H 9.025 2.072 0.800 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25764_2n6h 1 . 10 . 2739 . 1 1 14 ILE N N 8.066 4.212 0.089 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25764_2n6h 1 . 10 . 2740 . 1 1 14 ILE O O 9.504 5.881 2.737 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25764_2n6h 1 . 10 . 2741 . 1 1 15 ARG C C 7.525 5.120 -0.720 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25764_2n6h 1 . 10 . 2742 . 1 1 15 ARG CA C 7.585 4.790 -2.200 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25764_2n6h 1 . 10 . 2743 . 1 1 15 ARG CB C 8.882 5.305 -2.783 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25764_2n6h 1 . 10 . 2744 . 1 1 15 ARG CD C 10.266 5.378 -4.846 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25764_2n6h 1 . 10 . 2745 . 1 1 15 ARG CG C 8.968 4.858 -4.236 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25764_2n6h 1 . 10 . 2746 . 1 1 15 ARG CZ C 9.452 7.588 -5.468 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25764_2n6h 1 . 10 . 2747 . 1 1 15 ARG H H 6.192 6.287 -2.769 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25764_2n6h 1 . 10 . 2748 . 1 1 15 ARG HA H 7.584 3.724 -2.307 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25764_2n6h 1 . 10 . 2749 . 1 1 15 ARG HB2 H 8.905 6.383 -2.726 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25764_2n6h 1 . 10 . 2750 . 1 1 15 ARG HB3 H 9.708 4.885 -2.230 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25764_2n6h 1 . 10 . 2751 . 1 1 15 ARG HD2 H 11.106 4.974 -4.301 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25764_2n6h 1 . 10 . 2752 . 1 1 15 ARG HD3 H 10.326 5.066 -5.880 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25764_2n6h 1 . 10 . 2753 . 1 1 15 ARG HE H 10.948 7.262 -4.183 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25764_2n6h 1 . 10 . 2754 . 1 1 15 ARG HG2 H 8.957 3.777 -4.268 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25764_2n6h 1 . 10 . 2755 . 1 1 15 ARG HG3 H 8.125 5.244 -4.784 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25764_2n6h 1 . 10 . 2756 . 1 1 15 ARG HH11 H 8.574 6.044 -6.390 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25764_2n6h 1 . 10 . 2757 . 1 1 15 ARG HH12 H 7.957 7.610 -6.799 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25764_2n6h 1 . 10 . 2758 . 1 1 15 ARG HH21 H 10.145 9.311 -4.719 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25764_2n6h 1 . 10 . 2759 . 1 1 15 ARG HH22 H 8.846 9.457 -5.855 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25764_2n6h 1 . 10 . 2760 . 1 1 15 ARG N N 6.443 5.352 -2.926 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25764_2n6h 1 . 10 . 2761 . 1 1 15 ARG NE N 10.302 6.833 -4.776 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25764_2n6h 1 . 10 . 2762 . 1 1 15 ARG NH1 N 8.594 7.038 -6.282 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25764_2n6h 1 . 10 . 2763 . 1 1 15 ARG NH2 N 9.484 8.887 -5.337 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25764_2n6h 1 . 10 . 2764 . 1 1 15 ARG O O 6.992 6.154 -0.319 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25764_2n6h 1 . 10 . 2765 . 1 1 16 ACE C C 5.735 4.627 -3.797 . . . 1.0 . . . . . . . . . . . . A . 15 ACE C . . . . . . . . . c25764_2n6h 1 . 10 . 2766 . 1 1 16 ACE CH3 C 4.575 5.345 -4.478 . . . 1.0 . . . . . . . . . . . . A . 15 ACE CH3 . . . . . . . . . c25764_2n6h 1 . 10 . 2767 . 1 1 16 ACE H1 H 4.380 6.277 -3.971 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H1 . . . . . . . . . c25764_2n6h 1 . 10 . 2768 . 1 1 16 ACE H2 H 3.692 4.723 -4.438 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H2 . . . . . . . . . c25764_2n6h 1 . 10 . 2769 . 1 1 16 ACE H3 H 4.829 5.542 -5.510 . . . 1.0 . . . . . . . . . . . . A . 15 ACE H3 . . . . . . . . . c25764_2n6h 1 . 10 . 2770 . 1 1 16 ACE O O 5.984 3.446 -4.051 . . . 1.0 . . . . . . . . . . . . A . 15 ACE O . . . . . . . . . c25764_2n6h 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c25764_2n6h _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2n6h.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25764_2n6h 1 1 2n6h.mr . . XPLOR/CNS 2 distance 'hydrogen bond' simple 12 c25764_2n6h 1 1 2n6h.mr . . XPLOR/CNS 3 distance NOE ambi 140 c25764_2n6h 1 1 2n6h.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25764_2n6h 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c25764_2n6h _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25764_2n6h 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 2 2 GLU HA H . . . 1 1 2 2 GLU HB2 H . . . . . 4.1 2.2 5.5 . . . . . A . 1 GLU HA . . A . 1 GLU HB2 . . . 5 . HA . . . . . 5 . HB# . . c25764_2n6h 1 1 2 OR . 1 1 2 2 GLU HA H . . . 1 1 2 2 GLU HB3 H . . . . . 4.1 2.2 5.5 . . . . . A . 1 GLU HA . . A . 1 GLU HB3 . . . 5 . HA . . . . . 5 . HB# . . c25764_2n6h 1 2 1 . . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HA H . . . . . 2.7 1.7 3.7 . . . . . A . 1 GLU H . . A . 1 GLU HA . . . 5 . HN . . . . . 5 . HA . . c25764_2n6h 1 3 1 . . 1 1 2 2 GLU HA H . . . 1 1 3 3 ARG H H . . . . . 2.2 1.4 3.0 . . . . . A . 1 GLU HA . . A . 2 ARG H . . . 5 . HA . . . . . 6 . HN . . c25764_2n6h 1 4 1 OR . 1 1 2 2 GLU HB3 H . . . 1 1 2 2 GLU HG2 H . . . . . 2.0 1.3 2.7 . . . . . A . 1 GLU HB3 . . A . 1 GLU HG2 . . . 5 . HB# . . . . . 5 . HG# . . c25764_2n6h 1 4 2 OR . 1 1 2 2 GLU HB2 H . . . 1 1 2 2 GLU HG2 H . . . . . 2.0 1.3 2.7 . . . . . A . 1 GLU HB2 . . A . 1 GLU HG2 . . . 5 . HB# . . . . . 5 . HG# . . c25764_2n6h 1 4 3 OR . 1 1 2 2 GLU HG3 H . . . 1 1 2 2 GLU HB2 H . . . . . 2.0 1.3 2.7 . . . . . A . 1 GLU HG3 . . A . 1 GLU HB2 . . . 5 . HG# . . . . . 5 . HB# . . c25764_2n6h 1 4 4 OR . 1 1 2 2 GLU HB3 H . . . 1 1 2 2 GLU HG3 H . . . . . 2.0 1.3 2.7 . . . . . A . 1 GLU HB3 . . A . 1 GLU HG3 . . . 5 . HB# . . . . . 5 . HG# . . c25764_2n6h 1 5 1 OR . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HB2 H . . . . . 2.3 1.5 3.1 . . . . . A . 1 GLU H . . A . 1 GLU HB2 . . . 5 . HN . . . . . 5 . HB# . . c25764_2n6h 1 5 2 OR . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HB3 H . . . . . 2.3 1.5 3.1 . . . . . A . 1 GLU H . . A . 1 GLU HB3 . . . 5 . HN . . . . . 5 . HB# . . c25764_2n6h 1 6 1 . . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HA H . . . . . 2.9 1.9 3.9 . . . . . A . 2 ARG H . . A . 2 ARG HA . . . 6 . HN . . . . . 6 . HA . . c25764_2n6h 1 7 1 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HB2 H . . . . . 4.7 1.8 6.3 . . . . . A . 2 ARG HE . . A . 2 ARG HB2 . . . 6 . HE# . . . . . 6 . HB2 . . c25764_2n6h 1 7 2 OR . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HE H . . . . . 4.7 1.8 6.3 . . . . . A . 2 ARG HB3 . . A . 2 ARG HE . . . 6 . HB1 . . . . . 6 . HE# . . c25764_2n6h 1 8 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HB2 H . . . . . 3.1 2.0 4.2 . . . . . A . 2 ARG H . . A . 2 ARG HB2 . . . 6 . HN . . . . . 6 . HB2 . . c25764_2n6h 1 8 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HB3 H . . . . . 3.1 2.0 4.2 . . . . . A . 2 ARG H . . A . 2 ARG HB3 . . . 6 . HN . . . . . 6 . HB1 . . c25764_2n6h 1 9 1 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HD2 H . . . . . 5.0 1.8 6.8 . . . . . A . 2 ARG HE . . A . 2 ARG HD2 . . . 6 . HE# . . . . . 6 . HD# . . c25764_2n6h 1 9 2 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HD3 H . . . . . 5.0 1.8 6.8 . . . . . A . 2 ARG HE . . A . 2 ARG HD3 . . . 6 . HE# . . . . . 6 . HD# . . c25764_2n6h 1 10 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HD2 H . . . . . 2.8 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HD2 . . . 6 . HN . . . . . 6 . HD# . . c25764_2n6h 1 10 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HD3 H . . . . . 2.8 1.8 5.0 . . . . . A . 2 ARG H . . A . 2 ARG HD3 . . . 6 . HN . . . . . 6 . HD# . . c25764_2n6h 1 11 1 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HG2 H . . . . . 2.8 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HG2 . . . 6 . HE# . . . . . 6 . HG2 . . c25764_2n6h 1 11 2 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HG3 H . . . . . 2.8 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HG3 . . . 6 . HE# . . . . . 6 . HG1 . . c25764_2n6h 1 12 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 6 . HN . . . . . 6 . HG2 . . c25764_2n6h 1 12 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HG3 H . . . . . 3.1 2.0 4.2 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 6 . HN . . . . . 6 . HG1 . . c25764_2n6h 1 13 1 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . 3.4 2.2 4.6 . . . . . A . 4 TYR HA . . A . 4 TYR HB2 . . . 8 . HA . . . . . 8 . HB2 . . c25764_2n6h 1 13 2 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB3 H . . . . . 3.4 2.2 4.6 . . . . . A . 4 TYR HA . . A . 4 TYR HB3 . . . 8 . HA . . . . . 8 . HB1 . . c25764_2n6h 1 14 1 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 4 TYR HA . . A . 4 TYR HB2 . . . 8 . HA . . . . . 8 . HB2 . . c25764_2n6h 1 14 2 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 4 TYR HA . . A . 4 TYR HB3 . . . 8 . HA . . . . . 8 . HB1 . . c25764_2n6h 1 15 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR QD H . . . . . 4.4 2.8 6.0 . . . . . A . 4 TYR HA . . A . 4 TYR QD . . . 8 . HA . . . . . 8 . HD# . . c25764_2n6h 1 16 1 OR . 1 1 5 5 TYR HB2 H . . . 1 1 5 5 TYR QD H . . . . . 3.0 1.9 4.1 . . . . . A . 4 TYR HB2 . . A . 4 TYR QD . . . 8 . HB2 . . . . . 8 . HD# . . c25764_2n6h 1 16 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QD H . . . . . 3.0 1.9 4.1 . . . . . A . 4 TYR HB3 . . A . 4 TYR QD . . . 8 . HB1 . . . . . 8 . HD# . . c25764_2n6h 1 17 1 OR . 1 1 5 5 TYR HB2 H . . . 1 1 5 5 TYR QD H . . . . . 2.8 1.8 3.8 . . . . . A . 4 TYR HB2 . . A . 4 TYR QD . . . 8 . HB2 . . . . . 8 . HD# . . c25764_2n6h 1 17 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QD H . . . . . 2.8 1.8 3.8 . . . . . A . 4 TYR HB3 . . A . 4 TYR QD . . . 8 . HB1 . . . . . 8 . HD# . . c25764_2n6h 1 18 1 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 5 GLU HA . . A . 5 GLU HG2 . . . 9 . HA . . . . . 9 . HG* . . c25764_2n6h 1 18 2 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HG3 H . . . . . 2.6 1.7 3.5 . . . . . A . 5 GLU HA . . A . 5 GLU HG3 . . . 9 . HA . . . . . 9 . HG* . . c25764_2n6h 1 19 1 . . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU H H . . . . . 2.8 1.8 3.8 . . . . . A . 5 GLU HA . . A . 5 GLU H . . . 9 . HA . . . . . 9 . HN . . c25764_2n6h 1 20 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG2 H . . . . . 2.4 1.5 3.3 . . . . . A . 5 GLU H . . A . 5 GLU HG2 . . . 9 . HN . . . . . 9 . HG* . . c25764_2n6h 1 20 2 OR . 1 1 6 6 GLU HG3 H . . . 1 1 6 6 GLU H H . . . . . 2.4 1.5 3.3 . . . . . A . 5 GLU HG3 . . A . 5 GLU H . . . 9 . HG* . . . . . 9 . HN . . c25764_2n6h 1 21 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB2 H . . . . . 3.6 2.3 4.9 . . . . . A . 6 LYS HA . . A . 6 LYS HB2 . . . 10 . HA . . . . . 10 . HB# . . c25764_2n6h 1 21 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB3 H . . . . . 3.6 2.3 4.9 . . . . . A . 6 LYS HA . . A . 6 LYS HB3 . . . 10 . HA . . . . . 10 . HB# . . c25764_2n6h 1 22 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS H H . . . . . 2.2 1.4 3.0 . . . . . A . 6 LYS HA . . A . 6 LYS H . . . 10 . HA . . . . . 10 . HN . . c25764_2n6h 1 23 1 OR . 1 1 7 7 LYS HB3 H . . . 1 1 7 7 LYS HG2 H . . . . . 1.9 1.2 2.6 . . . . . A . 6 LYS HB3 . . A . 6 LYS HG2 . . . 10 . HB# . . . . . 10 . HG# . . c25764_2n6h 1 23 2 OR . 1 1 7 7 LYS HB2 H . . . 1 1 7 7 LYS HG2 H . . . . . 1.9 1.2 2.6 . . . . . A . 6 LYS HB2 . . A . 6 LYS HG2 . . . 10 . HB# . . . . . 10 . HG# . . c25764_2n6h 1 23 3 OR . 1 1 7 7 LYS HG3 H . . . 1 1 7 7 LYS HB2 H . . . . . 1.9 1.2 2.6 . . . . . A . 6 LYS HG3 . . A . 6 LYS HB2 . . . 10 . HG# . . . . . 10 . HB# . . c25764_2n6h 1 23 4 OR . 1 1 7 7 LYS HB3 H . . . 1 1 7 7 LYS HG3 H . . . . . 1.9 1.2 2.6 . . . . . A . 6 LYS HB3 . . A . 6 LYS HG3 . . . 10 . HB# . . . . . 10 . HG# . . c25764_2n6h 1 24 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 10 . HN . . . . . 10 . HB# . . c25764_2n6h 1 24 2 OR . 1 1 7 7 LYS HB3 H . . . 1 1 7 7 LYS H H . . . . . 2.6 1.7 3.5 . . . . . A . 6 LYS HB3 . . A . 6 LYS H . . . 10 . HB# . . . . . 10 . HN . . c25764_2n6h 1 25 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 2.5 1.6 5.0 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 10 . HN . . . . . 10 . HG# . . c25764_2n6h 1 25 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG3 H . . . . . 2.5 1.6 5.0 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 10 . HN . . . . . 10 . HG# . . c25764_2n6h 1 26 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL HB H . . . . . 2.9 1.9 3.9 . . . . . A . 9 VAL HA . . A . 9 VAL HB . . . 13 . HA . . . . . 13 . HB . . c25764_2n6h 1 27 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG1 H . . . . . 2.4 1.6 3.2 . . . . . A . 9 VAL HA . . A . 9 VAL MG1 . . . 13 . HA . . . . . 13 . HG11 . . c25764_2n6h 1 28 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL H H . . . . . 2.4 1.6 3.2 . . . . . A . 9 VAL HA . . A . 9 VAL H . . . 13 . HA . . . . . 13 . HN . . c25764_2n6h 1 29 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG1 H . . . . . 2.5 1.6 3.4 . . . . . A . 9 VAL HB . . A . 9 VAL MG1 . . . 13 . HB . . . . . 13 . HG11 . . c25764_2n6h 1 30 1 OR . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 9 VAL HB . . A . 9 VAL MG2 . . . 13 . HB . . . . . 13 . HG2# . . c25764_2n6h 1 30 2 OR . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG1 H . . . . . 3.1 2.0 4.2 . . . . . A . 9 VAL HB . . A . 9 VAL MG1 . . . 13 . HB . . . . . 13 . HG1# . . c25764_2n6h 1 31 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL H H . . . . . 2.5 1.6 5.0 . . . . . A . 9 VAL HB . . A . 9 VAL H . . . 13 . HB . . . . . 13 . HN . . c25764_2n6h 1 32 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG1 H . . . . . 2.6 1.7 5.0 . . . . . A . 9 VAL H . . A . 9 VAL MG1 . . . 13 . HN . . . . . 13 . HG11 . . c25764_2n6h 1 33 1 . . 1 1 10 10 VAL H H . . . 1 1 11 11 GLN HA H . . . . . 2.2 1.4 3.0 . . . . . A . 9 VAL H . . A . 10 GLN HA . . . 13 . HN . . . . . 14 . HA . . c25764_2n6h 1 34 1 OR . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 GLN HA . . A . 10 GLN HB2 . . . 14 . HA . . . . . 14 . HB2 . . c25764_2n6h 1 34 2 OR . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 GLN HA . . A . 10 GLN HB3 . . . 14 . HA . . . . . 14 . HB1 . . c25764_2n6h 1 35 1 OR . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HB2 H . . . . . 2.7 1.7 3.7 . . . . . A . 10 GLN HA . . A . 10 GLN HB2 . . . 14 . HA . . . . . 14 . HB2 . . c25764_2n6h 1 35 2 OR . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HB3 H . . . . . 2.7 1.7 3.7 . . . . . A . 10 GLN HA . . A . 10 GLN HB3 . . . 14 . HA . . . . . 14 . HB1 . . c25764_2n6h 1 36 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN H H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HA . . A . 10 GLN H . . . 14 . HA . . . . . 14 . HN . . c25764_2n6h 1 37 1 OR . 1 1 11 11 GLN HB2 H . . . 1 1 11 11 GLN H H . . . . . 2.7 1.7 3.7 . . . . . A . 10 GLN HB2 . . A . 10 GLN H . . . 14 . HB2 . . . . . 14 . HN . . c25764_2n6h 1 37 2 OR . 1 1 11 11 GLN HB3 H . . . 1 1 11 11 GLN H H . . . . . 2.7 1.7 3.7 . . . . . A . 10 GLN HB3 . . A . 10 GLN H . . . 14 . HB1 . . . . . 14 . HN . . c25764_2n6h 1 38 1 OR . 1 1 11 11 GLN HB2 H . . . 1 1 11 11 GLN H H . . . . . 2.2 1.4 3.0 . . . . . A . 10 GLN HB2 . . A . 10 GLN H . . . 14 . HB2 . . . . . 14 . HN . . c25764_2n6h 1 38 2 OR . 1 1 11 11 GLN HB3 H . . . 1 1 11 11 GLN H H . . . . . 2.2 1.4 3.0 . . . . . A . 10 GLN HB3 . . A . 10 GLN H . . . 14 . HB1 . . . . . 14 . HN . . c25764_2n6h 1 39 1 OR . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HG2 H . . . . . 3.2 2.1 4.3 . . . . . A . 10 GLN H . . A . 10 GLN HG2 . . . 14 . HN . . . . . 14 . HG# . . c25764_2n6h 1 39 2 OR . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HG3 H . . . . . 3.2 2.1 4.3 . . . . . A . 10 GLN H . . A . 10 GLN HG3 . . . 14 . HN . . . . . 14 . HG# . . c25764_2n6h 1 40 1 OR . 1 1 10 10 VAL H H . . . 1 1 11 11 GLN HG2 H . . . . . 2.5 1.5 3.5 . . . . . A . 9 VAL H . . A . 10 GLN HG2 . . . 13 . HN . . . . . 14 . HG# . . c25764_2n6h 1 40 2 OR . 1 1 10 10 VAL H H . . . 1 1 11 11 GLN HG3 H . . . . . 2.5 1.5 3.5 . . . . . A . 9 VAL H . . A . 10 GLN HG3 . . . 13 . HN . . . . . 14 . HG# . . c25764_2n6h 1 41 1 . . 1 1 5 5 TYR QD H . . . 1 1 6 6 GLU HA H . . . . . 2.5 1.5 3.5 . . . . . A . 4 TYR QD . . A . 5 GLU HA . . . 8 . HD# . . . . . 9 . HA . . c25764_2n6h 1 42 1 . . 1 1 3 3 ARG HA H . . . 1 1 6 6 GLU H H . . . . . 1.3 0.3 5.0 . . . . . A . 2 ARG HA . . A . 5 GLU H . . . 6 . HA . . . . . 9 . HN . . c25764_2n6h 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 "intra-residue or sequential (Ha-HN) ROE's" 1 1 1 43 c25764_2n6h 1 2 "long-distance ROE's" 126 1 126 21 c25764_2n6h 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB#' (nmrStar names) not linked" c25764_2n6h 1 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HG1' (nmrStar names) not linked" c25764_2n6h 1 3 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HG2' (nmrStar names) not linked" c25764_2n6h 1 4 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HG1' (nmrStar names) not linked" c25764_2n6h 1 5 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HG2' (nmrStar names) not linked" c25764_2n6h 1 6 3 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 7 3 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .1.HG1' (nmrStar names) not linked" c25764_2n6h 1 8 3 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .1.HG2' (nmrStar names) not linked" c25764_2n6h 1 9 3 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .1.HG1' (nmrStar names) not linked" c25764_2n6h 1 10 3 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .1.HG2' (nmrStar names) not linked" c25764_2n6h 1 11 3 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 12 3 8 1 "Not handling restraint 8, item 1, resonance(s) ' .1.HG1' (nmrStar names),' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 13 3 8 1 "Not handling restraint 8, item 1, resonance(s) ' .1.HG2' (nmrStar names),' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 14 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HG1' (nmrStar names),' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 15 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HG2' (nmrStar names),' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 16 3 10 1 "Not handling restraint 10, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HB1' (nmrStar names) not linked" c25764_2n6h 1 17 3 10 1 "Not handling restraint 10, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HB2' (nmrStar names) not linked" c25764_2n6h 1 18 3 11 1 "Not handling restraint 11, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD#' (nmrStar names) not linked" c25764_2n6h 1 19 3 12 1 "Not handling restraint 12, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HE' (nmrStar names) not linked" c25764_2n6h 1 20 3 13 1 "Not handling restraint 13, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HN' (nmrStar names) not linked" c25764_2n6h 1 21 3 14 1 "Not handling restraint 14, item 1, resonance(s) ' .2.HA' (nmrStar names),' .3.HN' (nmrStar names) not linked" c25764_2n6h 1 22 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .2.HB1' (nmrStar names),' .2.HE' (nmrStar names) not linked" c25764_2n6h 1 23 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .2.HB2' (nmrStar names),' .2.HE' (nmrStar names) not linked" c25764_2n6h 1 24 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .2.HB1' (nmrStar names),' .2.HN' (nmrStar names) not linked" c25764_2n6h 1 25 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .2.HB2' (nmrStar names),' .2.HN' (nmrStar names) not linked" c25764_2n6h 1 26 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HB1' (nmrStar names),' .2.HN' (nmrStar names) not linked" c25764_2n6h 1 27 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HB2' (nmrStar names),' .2.HN' (nmrStar names) not linked" c25764_2n6h 1 28 3 18 1 "Not handling restraint 18, item 1, resonance(s) ' .2.HD#' (nmrStar names),' .2.HN' (nmrStar names) not linked" c25764_2n6h 1 29 3 19 1 "Not handling restraint 19, item 1, resonance(s) ' .2.HE' (nmrStar names),' .2.HG#' (nmrStar names) not linked" c25764_2n6h 1 30 3 20 1 "Not handling restraint 20, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HG#' (nmrStar names) not linked" c25764_2n6h 1 31 3 21 1 "Not handling restraint 21, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB1' (nmrStar names) not linked" c25764_2n6h 1 32 3 21 1 "Not handling restraint 21, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB2' (nmrStar names) not linked" c25764_2n6h 1 33 3 22 1 "Not handling restraint 22, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HA' (nmrStar names) not linked" c25764_2n6h 1 34 3 23 1 "Not handling restraint 23, item 1, resonance(s) ' .3.HA' (nmrStar names),' .4.HN' (nmrStar names) not linked" c25764_2n6h 1 35 3 24 1 "Not handling restraint 24, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB1' (nmrStar names) not linked" c25764_2n6h 1 36 3 24 1 "Not handling restraint 24, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" c25764_2n6h 1 37 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB1' (nmrStar names) not linked" c25764_2n6h 1 38 3 25 1 "Not handling restraint 25, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" c25764_2n6h 1 39 3 26 1 "Not handling restraint 26, item 1, resonance(s) ' .3.HD#' (nmrStar names),' .3.HE#' (nmrStar names) not linked" c25764_2n6h 1 40 3 27 1 "Not handling restraint 27, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HB1' (nmrStar names) not linked" c25764_2n6h 1 41 3 27 1 "Not handling restraint 27, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c25764_2n6h 1 42 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HD#' (nmrStar names) not linked" c25764_2n6h 1 43 3 29 1 "Not handling restraint 29, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" c25764_2n6h 1 44 3 30 1 "Not handling restraint 30, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" c25764_2n6h 1 45 3 31 1 "Not handling restraint 31, item 1, resonance(s) ' .4.HB1' (nmrStar names),' .4.HD#' (nmrStar names) not linked" c25764_2n6h 1 46 3 31 1 "Not handling restraint 31, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .4.HD#' (nmrStar names) not linked" c25764_2n6h 1 47 3 32 1 "Not handling restraint 32, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB1' (nmrStar names) not linked" c25764_2n6h 1 48 3 32 1 "Not handling restraint 32, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c25764_2n6h 1 49 3 33 1 "Not handling restraint 33, item 1, resonance(s) ' .4.HB1' (nmrStar names),' .4.HD#' (nmrStar names) not linked" c25764_2n6h 1 50 3 33 1 "Not handling restraint 33, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .4.HD#' (nmrStar names) not linked" c25764_2n6h 1 51 3 34 1 "Not handling restraint 34, item 1, resonance(s) ' .4.HB1' (nmrStar names),' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 52 3 34 1 "Not handling restraint 34, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 53 3 35 1 "Not handling restraint 35, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB1' (nmrStar names) not linked" c25764_2n6h 1 54 3 35 1 "Not handling restraint 35, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c25764_2n6h 1 55 3 36 1 "Not handling restraint 36, item 1, resonance(s) ' .4.HD#' (nmrStar names),' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 56 3 43 1 "Not handling restraint 43, item 1, resonance(s) ' .7.HAI' (nmrStar names) not linked" c25764_2n6h 1 57 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .6.HZ#' (nmrStar names) not linked" c25764_2n6h 1 58 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .6.HZ#' (nmrStar names) not linked" c25764_2n6h 1 59 3 51 1 "Not handling restraint 51, item 1, resonance(s) ' .6.HZ#' (nmrStar names) not linked" c25764_2n6h 1 60 3 51 1 "Not handling restraint 51, item 1, resonance(s) ' .6.HZ#' (nmrStar names) not linked" c25764_2n6h 1 61 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .7.HAD' (nmrStar names),' .7.HAH' (nmrStar names) not linked" c25764_2n6h 1 62 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .7.HAE' (nmrStar names),' .7.HAH' (nmrStar names) not linked" c25764_2n6h 1 63 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .7.HAF' (nmrStar names),' .7.HAH' (nmrStar names) not linked" c25764_2n6h 1 64 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .7.HAG' (nmrStar names),' .7.HAD' (nmrStar names) not linked" c25764_2n6h 1 65 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .7.HAG' (nmrStar names),' .7.HAE' (nmrStar names) not linked" c25764_2n6h 1 66 3 52 1 "Not handling restraint 52, item 1, resonance(s) ' .7.HAG' (nmrStar names),' .7.HAF' (nmrStar names) not linked" c25764_2n6h 1 67 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HAG' (nmrStar names),' .7.HAA' (nmrStar names) not linked" c25764_2n6h 1 68 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HAG' (nmrStar names),' .7.HAB' (nmrStar names) not linked" c25764_2n6h 1 69 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HAG' (nmrStar names),' .7.HAC' (nmrStar names) not linked" c25764_2n6h 1 70 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HAH' (nmrStar names),' .7.HAA' (nmrStar names) not linked" c25764_2n6h 1 71 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HAH' (nmrStar names),' .7.HAB' (nmrStar names) not linked" c25764_2n6h 1 72 3 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HAH' (nmrStar names),' .7.HAC' (nmrStar names) not linked" c25764_2n6h 1 73 3 54 1 "Not handling restraint 54, item 1, resonance(s) ' .7.HAI' (nmrStar names),' .7.HAG' (nmrStar names) not linked" c25764_2n6h 1 74 3 54 1 "Not handling restraint 54, item 1, resonance(s) ' .7.HAI' (nmrStar names),' .7.HAH' (nmrStar names) not linked" c25764_2n6h 1 75 3 58 1 "Not handling restraint 58, item 1, resonance(s) ' .8.HG#' (nmrStar names) not linked" c25764_2n6h 1 76 3 61 1 "Not handling restraint 61, item 1, resonance(s) ' .8.HG#' (nmrStar names) not linked" c25764_2n6h 1 77 3 62 1 "Not handling restraint 62, item 1, resonance(s) ' .9.HB' (nmrStar names) not linked" c25764_2n6h 1 78 3 65 1 "Not handling restraint 65, item 1, resonance(s) ' .9.HB' (nmrStar names) not linked" c25764_2n6h 1 79 3 65 1 "Not handling restraint 65, item 1, resonance(s) ' .9.HB' (nmrStar names) not linked" c25764_2n6h 1 80 3 66 1 "Not handling restraint 66, item 1, resonance(s) ' .9.HB' (nmrStar names) not linked" c25764_2n6h 1 81 3 73 1 "Not handling restraint 73, item 1, resonance(s) ' .11.HA' (nmrStar names) not linked" c25764_2n6h 1 82 3 74 1 "Not handling restraint 74, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.HD#' (nmrStar names) not linked" c25764_2n6h 1 83 3 75 1 "Not handling restraint 75, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.HG#' (nmrStar names) not linked" c25764_2n6h 1 84 3 76 1 "Not handling restraint 76, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.HN' (nmrStar names) not linked" c25764_2n6h 1 85 3 77 1 "Not handling restraint 77, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HB#' (nmrStar names) not linked" c25764_2n6h 1 86 3 78 1 "Not handling restraint 78, item 1, resonance(s) ' .11.HD#' (nmrStar names),' .11.HE#' (nmrStar names) not linked" c25764_2n6h 1 87 3 79 1 "Not handling restraint 79, item 1, resonance(s) ' .11.HD#' (nmrStar names),' .11.HN' (nmrStar names) not linked" c25764_2n6h 1 88 3 80 1 "Not handling restraint 80, item 1, resonance(s) ' .11.HD#' (nmrStar names),' .11.HZ#' (nmrStar names) not linked" c25764_2n6h 1 89 3 81 1 "Not handling restraint 81, item 1, resonance(s) ' .11.HG#' (nmrStar names),' .11.HE#' (nmrStar names) not linked" c25764_2n6h 1 90 3 82 1 "Not handling restraint 82, item 1, resonance(s) ' .11.HE#' (nmrStar names),' .11.HZ#' (nmrStar names) not linked" c25764_2n6h 1 91 3 83 1 "Not handling restraint 83, item 1, resonance(s) ' .11.HG#' (nmrStar names),' .11.HN' (nmrStar names) not linked" c25764_2n6h 1 92 3 84 1 "Not handling restraint 84, item 1, resonance(s) ' .11.HG#' (nmrStar names),' .11.HZ#' (nmrStar names) not linked" c25764_2n6h 1 93 3 85 1 "Not handling restraint 85, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c25764_2n6h 1 94 3 86 1 "Not handling restraint 86, item 1, resonance(s) ' .12.HB1' (nmrStar names) not linked" c25764_2n6h 1 95 3 87 1 "Not handling restraint 87, item 1, resonance(s) ' .12.HD#' (nmrStar names) not linked" c25764_2n6h 1 96 3 88 1 "Not handling restraint 88, item 1, resonance(s) ' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 97 3 89 1 "Not handling restraint 89, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c25764_2n6h 1 98 3 90 1 "Not handling restraint 90, item 1, resonance(s) ' .12.HB1' (nmrStar names),' .12.HD#' (nmrStar names) not linked" c25764_2n6h 1 99 3 90 1 "Not handling restraint 90, item 1, resonance(s) ' .12.HD#' (nmrStar names) not linked" c25764_2n6h 1 100 3 91 1 "Not handling restraint 91, item 1, resonance(s) ' .12.HB1' (nmrStar names),' .12.HN' (nmrStar names) not linked" c25764_2n6h 1 101 3 91 1 "Not handling restraint 91, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c25764_2n6h 1 102 3 92 1 "Not handling restraint 92, item 1, resonance(s) ' .12.HB1' (nmrStar names),' .12.HD#' (nmrStar names) not linked" c25764_2n6h 1 103 3 92 1 "Not handling restraint 92, item 1, resonance(s) ' .12.HD#' (nmrStar names) not linked" c25764_2n6h 1 104 3 93 1 "Not handling restraint 93, item 1, resonance(s) ' .12.HB1' (nmrStar names),' .12.HN' (nmrStar names) not linked" c25764_2n6h 1 105 3 93 1 "Not handling restraint 93, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c25764_2n6h 1 106 3 94 1 "Not handling restraint 94, item 1, resonance(s) ' .12.HD#' (nmrStar names),' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 107 3 95 1 "Not handling restraint 95, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c25764_2n6h 1 108 3 97 1 "Not handling restraint 97, item 1, resonance(s) ' .13.HD*' (nmrStar names) not linked" c25764_2n6h 1 109 3 100 1 "Not handling restraint 100, item 1, resonance(s) ' .13.HD*' (nmrStar names) not linked" c25764_2n6h 1 110 3 104 1 "Not handling restraint 104, item 1, resonance(s) ' .13.HD*' (nmrStar names) not linked" c25764_2n6h 1 111 3 105 1 "Not handling restraint 105, item 1, resonance(s) ' .13.HD*' (nmrStar names) not linked" c25764_2n6h 1 112 3 106 1 "Not handling restraint 106, item 1, resonance(s) ' .13.HD*' (nmrStar names) not linked" c25764_2n6h 1 113 3 111 1 "Not handling restraint 111, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 114 3 112 1 "Not handling restraint 112, item 1, resonance(s) ' .14.HE' (nmrStar names) not linked" c25764_2n6h 1 115 3 114 1 "Not handling restraint 114, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 116 3 114 1 "Not handling restraint 114, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 117 3 116 1 "Not handling restraint 116, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 118 3 116 1 "Not handling restraint 116, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 119 3 117 1 "Not handling restraint 117, item 1, resonance(s) ' .14.HE' (nmrStar names) not linked" c25764_2n6h 1 120 3 117 1 "Not handling restraint 117, item 1, resonance(s) ' .14.HE' (nmrStar names) not linked" c25764_2n6h 1 121 3 119 1 "Not handling restraint 119, item 1, resonance(s) ' .14.HD#' (nmrStar names),' .14.HE' (nmrStar names) not linked" c25764_2n6h 1 122 3 120 1 "Not handling restraint 120, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 123 3 120 1 "Not handling restraint 120, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 124 3 121 1 "Not handling restraint 121, item 1, resonance(s) ' .14.HD#' (nmrStar names) not linked" c25764_2n6h 1 125 3 123 1 "Not handling restraint 123, item 1, resonance(s) ' .2.HB1' (nmrStar names),' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 126 3 123 1 "Not handling restraint 123, item 1, resonance(s) ' .2.HB2' (nmrStar names),' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 127 3 125 1 "Not handling restraint 125, item 1, resonance(s) ' .2.HE' (nmrStar names),' .3.HA' (nmrStar names) not linked" c25764_2n6h 1 128 3 126 1 "Not handling restraint 126, item 1, resonance(s) ' .3.HB1' (nmrStar names),' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 129 3 126 1 "Not handling restraint 126, item 1, resonance(s) ' .3.HB2' (nmrStar names),' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 130 3 127 1 "Not handling restraint 127, item 1, resonance(s) ' .3.HB1' (nmrStar names),' .14.HE' (nmrStar names) not linked" c25764_2n6h 1 131 3 127 1 "Not handling restraint 127, item 1, resonance(s) ' .3.HB2' (nmrStar names),' .14.HE' (nmrStar names) not linked" c25764_2n6h 1 132 3 128 1 "Not handling restraint 128, item 1, resonance(s) ' .3.HB1' (nmrStar names),' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 133 3 128 1 "Not handling restraint 128, item 1, resonance(s) ' .3.HB2' (nmrStar names),' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 134 3 129 1 "Not handling restraint 129, item 1, resonance(s) ' .3.HE#' (nmrStar names) not linked" c25764_2n6h 1 135 3 129 1 "Not handling restraint 129, item 1, resonance(s) ' .3.HE#' (nmrStar names) not linked" c25764_2n6h 1 136 3 130 1 "Not handling restraint 130, item 1, resonance(s) ' .3.HE#' (nmrStar names),' .12.HD#' (nmrStar names) not linked" c25764_2n6h 1 137 3 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.HE#' (nmrStar names),' .7.HAA' (nmrStar names) not linked" c25764_2n6h 1 138 3 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.HE#' (nmrStar names),' .7.HAB' (nmrStar names) not linked" c25764_2n6h 1 139 3 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.HE#' (nmrStar names),' .7.HAC' (nmrStar names) not linked" c25764_2n6h 1 140 3 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.HE#' (nmrStar names),' .7.HAD' (nmrStar names) not linked" c25764_2n6h 1 141 3 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.HE#' (nmrStar names),' .7.HAE' (nmrStar names) not linked" c25764_2n6h 1 142 3 131 1 "Not handling restraint 131, item 1, resonance(s) ' .4.HE#' (nmrStar names),' .7.HAF' (nmrStar names) not linked" c25764_2n6h 1 143 3 132 1 "Not handling restraint 132, item 1, resonance(s) ' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 144 3 132 1 "Not handling restraint 132, item 1, resonance(s) ' .4.HE#' (nmrStar names) not linked" c25764_2n6h 1 145 3 133 1 "Not handling restraint 133, item 1, resonance(s) ' .9.HB' (nmrStar names) not linked" c25764_2n6h 1 146 3 133 1 "Not handling restraint 133, item 1, resonance(s) ' .9.HB' (nmrStar names) not linked" c25764_2n6h 1 147 3 135 1 "Not handling restraint 135, item 1, resonance(s) ' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 148 3 135 1 "Not handling restraint 135, item 1, resonance(s) ' .12.HE#' (nmrStar names) not linked" c25764_2n6h 1 149 3 136 1 "Not handling restraint 136, item 1, resonance(s) ' .12.HZ' (nmrStar names) not linked" c25764_2n6h 1 150 3 136 1 "Not handling restraint 136, item 1, resonance(s) ' .12.HZ' (nmrStar names) not linked" c25764_2n6h 1 151 3 137 1 "Not handling restraint 137, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c25764_2n6h 1 152 3 138 1 "Not handling restraint 138, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" c25764_2n6h 1 153 3 139 1 "Not handling restraint 139, item 1, resonance(s) ' .4.HA' (nmrStar names),' .11.HN' (nmrStar names) not linked" c25764_2n6h 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c25764_2n6h _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25764_2n6h 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 6 6 GLU H H . . . 1 1 2 2 GLU O O . . . . . 1.9 1.5 2.5 . . . . . A . 5 GLU H . . A . 1 GLU O . . . 9 . HN . . . . . 5 . O . . c25764_2n6h 2 2 1 . . 1 1 2 2 GLU O O . . . 1 1 6 6 GLU N N . . . . . 2.9 2.4 3.6 . . . . . A . 1 GLU O . . A . 5 GLU N . . . 5 . O . . . . . 9 . N . . c25764_2n6h 2 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 'assign (resid 3 and name C) (resid 4 and name N) (resid 4 and name CA) (resid 4 and name C) 1.0 -145.0 35.00 2' 25 1 26 75 c25764_2n6h 2 2 'assign (resid 4 and name N) (resid 4 and name CA) (resid 4 and name C) (resid 5 and name N) 1.0 135.00 45.00 2' 27 1 28 76 c25764_2n6h 2 3 'assign (resid 5 and name C) (resid 6 and name N) (resid 6 and name CA) (resid 6 and name C) 1.0 -145.0 35.00 2' 30 1 31 75 c25764_2n6h 2 4 'assign (resid 6 and name N) (resid 6 and name CA) (resid 6 and name C) (resid 7 and name NAC) 1.0 135.00 45.00 2' 32 1 33 78 c25764_2n6h 2 5 'assign (resid 11 and name C) (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) 1.0 -145.0 35.00 2' 37 1 38 75 c25764_2n6h 2 6 'assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) (resid 9 and name N) 1.0 135.00 45.00 2' 39 1 40 75 c25764_2n6h 2 7 'assign (resid 10 and name C) (resid 9 and name N) (resid 9 and name CA) (resid 9 and name C) 1.0 -145.0 35.00 2' 42 1 43 73 c25764_2n6h 2 8 'assign (resid 9 and name N) (resid 9 and name CA) (resid 9 and name C) (resid 8 and name N) 1.0 135.00 45.00 2!VMK-II-117-2stranddiN-NOEs-height-renum-sq, edited VMK 02/25/15' 44 1 45 74 c25764_2n6h 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; ! VMK-II-117-2stranddiN peptide, last edit 8/11/14 VMKung ! Between middle strand & bottom strand: ; 1 1 3 42 c25764_2n6h 2 2 'VMK-II-117-2stranddiN-NOEs-height-renum-sq, edited VMK 02/25/15' 45 75 45 139 c25764_2n6h 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .7.HAI' (nmrStar names) not linked" c25764_2n6h 2 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .7.NAC' (nmrStar names) not linked" c25764_2n6h 2 3 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .11.O' (nmrStar names) not linked" c25764_2n6h 2 4 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .11.O' (nmrStar names) not linked" c25764_2n6h 2 5 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .11.HN' (nmrStar names),' .3.O' (nmrStar names) not linked" c25764_2n6h 2 6 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .3.O' (nmrStar names),' .11.N' (nmrStar names) not linked" c25764_2n6h 2 7 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.O' (nmrStar names) not linked" c25764_2n6h 2 8 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.O' (nmrStar names) not linked" c25764_2n6h 2 9 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c25764_2n6h 2 10 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.N' (nmrStar names) not linked" c25764_2n6h 2 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c25764_2n6h _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER DE NOVO PROTEIN 20-AUG-15 2N6H *TITLE NMR STRUCTURE FOR A 2-STRANDED PARALLEL BETA-SHEET *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED 2-STRANDED PARALLEL BETA-SHEET; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR V.M.KUNG, G.CORNILESCU, S.H.GELLMAN *REVDAT 1 28-OCT-15 2N6H 0' save_