data_c25673_2n4n ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25673_2n4n _Entry.Title ; NMR structure for a 3-stranded parallel beta-sheet ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-24 _Entry.Accession_date 2015-06-24 _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 . . . c25673_2n4n 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 'not applicable' 'not applicable' . c25673_2n4n stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PEPTIDE . c25673_2n4n stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25673_2n4n stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 172 c25673_2n4n 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 . c25673_2n4n stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25764 'Complex with 2-METHYLPROPANE-1,2-DIAMINE' c25673_2n4n BMRB 25765 'Complex with CHOLIC ACID' c25673_2n4n PDB 2N4N 'BMRB Entry Tracking System' c25673_2n4n stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25673_2n4n _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. . c25673_2n4n 1 2 Gabriel Cornilescu . . . c25673_2n4n 1 3 Samuel Gellman . H. . c25673_2n4n 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25673_2n4n _Assembly.ID 1 _Assembly.Name '3-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 . . . c25673_2n4n 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c25673_2n4n _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 ; XERFYEKXXVQKFIRVXGVT IREKX ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _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 2629.136 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details (ACE)ERFYEK(4G6)(DPR)VQKFIRV(4FU)GVTIREK(NH2) _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 . c25673_2n4n 1 2 1 GLU . c25673_2n4n 1 3 2 ARG . c25673_2n4n 1 4 3 PHE . c25673_2n4n 1 5 4 TYR . c25673_2n4n 1 6 5 GLU . c25673_2n4n 1 7 6 LYS . c25673_2n4n 1 8 7 4G6 . c25673_2n4n 1 9 8 DPR . c25673_2n4n 1 10 9 VAL . c25673_2n4n 1 11 10 GLN . c25673_2n4n 1 12 11 LYS . c25673_2n4n 1 13 12 PHE . c25673_2n4n 1 14 13 ILE . c25673_2n4n 1 15 14 ARG . c25673_2n4n 1 16 15 VAL . c25673_2n4n 1 17 16 4FU . c25673_2n4n 1 18 17 GLY . c25673_2n4n 1 19 18 VAL . c25673_2n4n 1 20 19 THR . c25673_2n4n 1 21 20 ILE . c25673_2n4n 1 22 21 ARG . c25673_2n4n 1 23 22 GLU . c25673_2n4n 1 24 23 LYS . c25673_2n4n 1 25 24 NH2 . c25673_2n4n 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 c25673_2n4n 1 . GLU 2 2 c25673_2n4n 1 . ARG 3 3 c25673_2n4n 1 . PHE 4 4 c25673_2n4n 1 . TYR 5 5 c25673_2n4n 1 . GLU 6 6 c25673_2n4n 1 . LYS 7 7 c25673_2n4n 1 . 4G6 8 8 c25673_2n4n 1 . DPR 9 9 c25673_2n4n 1 . VAL 10 10 c25673_2n4n 1 . GLN 11 11 c25673_2n4n 1 . LYS 12 12 c25673_2n4n 1 . PHE 13 13 c25673_2n4n 1 . ILE 14 14 c25673_2n4n 1 . ARG 15 15 c25673_2n4n 1 . VAL 16 16 c25673_2n4n 1 . 4FU 17 17 c25673_2n4n 1 . GLY 18 18 c25673_2n4n 1 . VAL 19 19 c25673_2n4n 1 . THR 20 20 c25673_2n4n 1 . ILE 21 21 c25673_2n4n 1 . ARG 22 22 c25673_2n4n 1 . GLU 23 23 c25673_2n4n 1 . LYS 24 24 c25673_2n4n 1 . NH2 25 25 c25673_2n4n 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 c25673_2n4n _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' . . . . . . . . . . . . . . . . . . . . . . c25673_2n4n 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 c25673_2n4n _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' . . . . . . . . . . . . . . . . c25673_2n4n 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 c25673_2n4n _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 c25673_2n4n ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c25673_2n4n ACE CC=O SMILES_CANONICAL CACTVS 3.341 c25673_2n4n ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25673_2n4n ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c25673_2n4n ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c25673_2n4n ACE O=CC SMILES ACDLabs 10.04 c25673_2n4n 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 c25673_2n4n ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25673_2n4n 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 . c25673_2n4n ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c25673_2n4n ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c25673_2n4n ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c25673_2n4n ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c25673_2n4n ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c25673_2n4n ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c25673_2n4n 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 . c25673_2n4n ACE 2 . SING C CH3 no N 2 . c25673_2n4n ACE 3 . SING C H no N 3 . c25673_2n4n ACE 4 . SING CH3 H1 no N 4 . c25673_2n4n ACE 5 . SING CH3 H2 no N 5 . c25673_2n4n ACE 6 . SING CH3 H3 no N 6 . c25673_2n4n ACE stop_ save_ save_chem_comp_4G6 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4G6 _Chem_comp.Entry_ID c25673_2n4n _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 c25673_2n4n 4G6 CC(C)(CN)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c25673_2n4n 4G6 CC(C)(N)CN SMILES ACDLabs 12.01 c25673_2n4n 4G6 CC(C)(N)CN SMILES CACTVS 3.385 c25673_2n4n 4G6 CC(C)(N)CN SMILES_CANONICAL CACTVS 3.385 c25673_2n4n 4G6 InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 InChI InChI 1.03 c25673_2n4n 4G6 OPCJOXGBLDJWRM-UHFFFAOYSA-N InChIKey InChI 1.03 c25673_2n4n 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 c25673_2n4n 4G6 2-methylpropane-1,2-diamine 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c25673_2n4n 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 . c25673_2n4n 4G6 CAF CAF CAF CAF . C . . N 0 . . . 1 no no . . . . 30.522 . 7.293 . 3.840 . -0.439 0.004 -0.005 2 . c25673_2n4n 4G6 CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 29.440 . 6.715 . 4.754 . -1.691 -0.512 0.707 3 . c25673_2n4n 4G6 NAD NAD NAD NAD . N . . N 0 . . . 1 no no . . . . 31.435 . 6.244 . 3.358 . -0.449 -0.450 -1.403 4 . c25673_2n4n 4G6 CAE CAE CAE CAE . C . . N 0 . . . 1 no no . . . . 29.827 . 7.957 . 2.650 . 0.807 -0.537 0.698 5 . c25673_2n4n 4G6 NAC NAC NAC NAC . N . . N 0 . . . 1 no no . . . . 29.283 . 6.937 . 1.742 . 2.009 -0.042 0.014 6 . c25673_2n4n 4G6 HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . 31.808 . 7.898 . 5.469 . -0.416 1.870 1.071 7 . c25673_2n4n 4G6 HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 32.051 . 8.817 . 3.945 . 0.468 1.901 -0.474 8 . c25673_2n4n 4G6 HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 30.608 . 9.136 . 4.966 . -1.311 1.919 -0.467 9 . c25673_2n4n 4G6 HAF HAF HAF HAF . H . . N 0 . . . 1 no no . . . . 29.912 . 6.230 . 5.621 . -2.579 -0.126 0.206 10 . c25673_2n4n 4G6 HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 28.782 . 7.525 . 5.101 . -1.702 -1.601 0.679 11 . c25673_2n4n 4G6 HAE HAE HAE HAE . H . . N 0 . . . 1 no no . . . . 28.847 . 5.974 . 4.197 . -1.684 -0.175 1.744 12 . c25673_2n4n 4G6 HAL HAL HAL HAL . H . . N 0 . . . 1 no no . . . . 31.888 . 5.812 . 4.138 . 0.334 -0.069 -1.912 13 . c25673_2n4n 4G6 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 30.915 . 5.556 . 2.852 . -0.459 -1.457 -1.456 14 . c25673_2n4n 4G6 HAH HAH HAH HAH . H . . N 0 . . . 1 no no . . . . 30.554 . 8.577 . 2.105 . 0.815 -0.200 1.734 15 . c25673_2n4n 4G6 HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . 29.006 . 8.591 . 3.017 . 0.796 -1.627 0.670 16 . c25673_2n4n 4G6 HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . 28.832 . 7.384 . 0.970 . 2.011 0.966 -0.031 17 . c25673_2n4n 4G6 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 30.027 . 6.360 . 1.405 . 2.847 -0.386 0.460 18 . c25673_2n4n 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 . c25673_2n4n 4G6 2 . SING CAE CAF no N 2 . c25673_2n4n 4G6 3 . SING NAD CAF no N 3 . c25673_2n4n 4G6 4 . SING CAF CAA no N 4 . c25673_2n4n 4G6 5 . SING CAF CAB no N 5 . c25673_2n4n 4G6 6 . SING CAA HAC no N 6 . c25673_2n4n 4G6 7 . SING CAA HAB no N 7 . c25673_2n4n 4G6 8 . SING CAA HAA no N 8 . c25673_2n4n 4G6 9 . SING CAB HAF no N 9 . c25673_2n4n 4G6 10 . SING CAB HAD no N 10 . c25673_2n4n 4G6 11 . SING CAB HAE no N 11 . c25673_2n4n 4G6 12 . SING NAD HAL no N 12 . c25673_2n4n 4G6 13 . SING NAD H1 no N 13 . c25673_2n4n 4G6 14 . SING CAE HAH no N 14 . c25673_2n4n 4G6 15 . SING CAE HAG no N 15 . c25673_2n4n 4G6 16 . SING NAC HAI no N 16 . c25673_2n4n 4G6 17 . SING NAC H3 no N 17 . c25673_2n4n 4G6 stop_ save_ save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c25673_2n4n _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 c25673_2n4n DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c25673_2n4n 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 c25673_2n4n DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c25673_2n4n DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c25673_2n4n DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c25673_2n4n DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c25673_2n4n 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 c25673_2n4n DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c25673_2n4n 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 . c25673_2n4n DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c25673_2n4n DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c25673_2n4n DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c25673_2n4n DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c25673_2n4n DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c25673_2n4n DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c25673_2n4n DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c25673_2n4n DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c25673_2n4n DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c25673_2n4n DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c25673_2n4n DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c25673_2n4n DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c25673_2n4n DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c25673_2n4n DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c25673_2n4n DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c25673_2n4n DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c25673_2n4n 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 . c25673_2n4n DPR 2 . SING N CD no N 2 . c25673_2n4n DPR 3 . SING N H no N 3 . c25673_2n4n DPR 4 . SING CA CB no N 4 . c25673_2n4n DPR 5 . SING CA C no N 5 . c25673_2n4n DPR 6 . SING CA HA no N 6 . c25673_2n4n DPR 7 . SING CB CG no N 7 . c25673_2n4n DPR 8 . SING CB HB2 no N 8 . c25673_2n4n DPR 9 . SING CB HB3 no N 9 . c25673_2n4n DPR 10 . SING CG CD no N 10 . c25673_2n4n DPR 11 . SING CG HG2 no N 11 . c25673_2n4n DPR 12 . SING CG HG3 no N 12 . c25673_2n4n DPR 13 . SING CD HD2 no N 13 . c25673_2n4n DPR 14 . SING CD HD3 no N 14 . c25673_2n4n DPR 15 . DOUB C O no N 15 . c25673_2n4n DPR 16 . SING C OXT no N 16 . c25673_2n4n DPR 17 . SING OXT HXT no N 17 . c25673_2n4n DPR stop_ save_ save_chem_comp_4FU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4FU _Chem_comp.Entry_ID c25673_2n4n _Chem_comp.ID 4FU _Chem_comp.Provenance PDB _Chem_comp.Name '(1R,2S)-cyclohexane-1,2-dicarboxylic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 4FU _Chem_comp.PDB_code 4FU _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 4FU _Chem_comp.Number_atoms_all 24 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+ _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 'C8 H12 O4' _Chem_comp.Formula_weight 172.178 _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 C(=O)(O)C1C(CCCC1)C(O)=O SMILES ACDLabs 12.01 c25673_2n4n 4FU C1CCC(C(C1)C(=O)O)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 c25673_2n4n 4FU C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c25673_2n4n 4FU InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+ InChI InChI 1.03 c25673_2n4n 4FU OC(=O)[C@@H]1CCCC[C@@H]1C(O)=O SMILES_CANONICAL CACTVS 3.385 c25673_2n4n 4FU OC(=O)[CH]1CCCC[CH]1C(O)=O SMILES CACTVS 3.385 c25673_2n4n 4FU QSAWQNUELGIYBC-OLQVQODUSA-N InChIKey InChI 1.03 c25673_2n4n 4FU 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 '(1R,2S)-cyclohexane-1,2-dicarboxylic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 c25673_2n4n 4FU '(1R,2S)-cyclohexane-1,2-dicarboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c25673_2n4n 4FU 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 C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 13.503 . -7.127 . -7.019 . 0.635 1.296 -0.225 1 . c25673_2n4n 4FU O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . 13.887 . -6.289 . -6.203 . -0.035 1.180 -1.223 2 . c25673_2n4n 4FU C8 C8 C8 C8 . C . . R 0 . . . 1 no no . . . . 12.009 . -7.403 . -7.192 . 0.490 0.304 0.900 3 . c25673_2n4n 4FU C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 11.587 . -7.112 . -8.625 . 1.831 -0.390 1.145 4 . c25673_2n4n 4FU C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 10.095 . -7.359 . -8.781 . 2.267 -1.121 -0.126 5 . c25673_2n4n 4FU C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 9.320 . -6.482 . -7.811 . 1.213 -2.165 -0.501 6 . c25673_2n4n 4FU C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 9.740 . -6.810 . -6.387 . -0.128 -1.471 -0.746 7 . c25673_2n4n 4FU C14 C14 C14 C14 . C . . S 0 . . . 1 no no . . . . 11.227 . -6.543 . -6.212 . -0.564 -0.740 0.526 8 . c25673_2n4n 4FU C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 11.513 . -5.057 . -6.440 . -1.885 -0.057 0.285 9 . c25673_2n4n 4FU OAB OAB OAB OAB . O . . N 0 . . . 1 no no . . . . 11.678 . -4.617 . -7.576 . -1.975 1.143 0.400 10 . c25673_2n4n 4FU O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . 14.191 . -7.645 . -7.588 . 1.513 2.306 -0.120 11 . c25673_2n4n 4FU H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 11.815 . -8.463 . -6.971 . 0.179 0.825 1.806 12 . c25673_2n4n 4FU H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 12.140 . -7.771 . -9.310 . 2.582 0.354 1.412 13 . c25673_2n4n 4FU HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . 11.811 . -6.062 . -8.866 . 1.726 -1.107 1.959 14 . c25673_2n4n 4FU H112 H112 H112 H112 . H . . N 0 . . . 0 no no . . . . 9.792 . -7.120 . -9.811 . 2.372 -0.403 -0.940 15 . c25673_2n4n 4FU H111 H111 H111 H111 . H . . N 0 . . . 0 no no . . . . 9.877 . -8.416 . -8.571 . 3.222 -1.615 0.048 16 . c25673_2n4n 4FU HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . 9.534 . -5.424 . -8.022 . 1.523 -2.686 -1.406 17 . c25673_2n4n 4FU H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 8.242 . -6.669 . -7.928 . 1.108 -2.883 0.313 18 . c25673_2n4n 4FU HAL HAL HAL HAL . H . . N 0 . . . 1 no no . . . . 9.172 . -6.182 . -5.685 . -0.023 -0.754 -1.559 19 . c25673_2n4n 4FU HAK HAK HAK HAK . H . . N 0 . . . 1 no no . . . . 9.533 . -7.870 . -6.181 . -0.879 -2.215 -1.012 20 . c25673_2n4n 4FU H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 11.521 . -6.810 . -5.186 . -0.669 -1.458 1.340 21 . c25673_2n4n 4FU O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 11.568 . -4.418 . -5.632 . -2.962 -0.780 -0.058 22 . c25673_2n4n 4FU H1 H1 H1 H1 . H . . N 0 . . . 1 no yes . . . . 15.068 . -7.360 . -7.362 . 1.574 2.915 -0.868 23 . c25673_2n4n 4FU H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 11.750 . -3.537 . -5.936 . -3.788 -0.298 -0.203 24 . c25673_2n4n 4FU 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 C11 C9 no N 1 . c25673_2n4n 4FU 2 . SING C11 C12 no N 2 . c25673_2n4n 4FU 3 . SING C9 C8 no N 3 . c25673_2n4n 4FU 4 . SING C12 C13 no N 4 . c25673_2n4n 4FU 5 . DOUB OAB C15 no N 5 . c25673_2n4n 4FU 6 . SING C8 C7 no N 6 . c25673_2n4n 4FU 7 . SING C8 C14 no N 7 . c25673_2n4n 4FU 8 . DOUB C7 O7 no N 8 . c25673_2n4n 4FU 9 . SING C15 C14 no N 9 . c25673_2n4n 4FU 10 . SING C13 C14 no N 10 . c25673_2n4n 4FU 11 . SING C7 O1 no N 11 . c25673_2n4n 4FU 12 . SING C8 H8 no N 12 . c25673_2n4n 4FU 13 . SING C9 H9 no N 13 . c25673_2n4n 4FU 14 . SING C9 HAI no N 14 . c25673_2n4n 4FU 15 . SING C11 H112 no N 15 . c25673_2n4n 4FU 16 . SING C11 H111 no N 16 . c25673_2n4n 4FU 17 . SING C12 HAG no N 17 . c25673_2n4n 4FU 18 . SING C12 H12 no N 18 . c25673_2n4n 4FU 19 . SING C13 HAL no N 19 . c25673_2n4n 4FU 20 . SING C13 HAK no N 20 . c25673_2n4n 4FU 21 . SING C14 H14 no N 21 . c25673_2n4n 4FU 22 . SING C15 O2 no N 22 . c25673_2n4n 4FU 23 . SING O1 H1 no N 23 . c25673_2n4n 4FU 24 . SING O2 H2 no N 24 . c25673_2n4n 4FU stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c25673_2n4n _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _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 . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1/H3N/h1H3 _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 'H2 N' _Chem_comp.Formula_weight 16.023 _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 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _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 InChI=1/H3N/h1H3 InChI InChI 1.02b c25673_2n4n NH2 N SMILES ACDLabs 10.04 c25673_2n4n NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c25673_2n4n NH2 [NH2] SMILES CACTVS 3.341 c25673_2n4n NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c25673_2n4n NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c25673_2n4n NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25673_2n4n NH2 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 ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c25673_2n4n NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25673_2n4n NH2 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 . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c25673_2n4n NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c25673_2n4n NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c25673_2n4n NH2 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 HN1 no N 1 . c25673_2n4n NH2 2 . SING N HN2 no N 2 . c25673_2n4n NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25673_2n4n _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 . . . . c25673_2n4n 1 2 'acetic acid' 'natural abundance' . . . . . . 2.5 . . mM . . . . c25673_2n4n 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 c25673_2n4n _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 c25673_2n4n 1 pressure 1 . atm c25673_2n4n 1 temperature 273 . K c25673_2n4n 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID c25673_2n4n _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.35 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c25673_2n4n 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c25673_2n4n 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 c25673_2n4n _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 c25673_2n4n _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 . . . c25673_2n4n 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 c25673_2n4n _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 . . . . . . . . . . . . . . . . c25673_2n4n 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25673_2n4n 1 3 '2D 1H-1H ROESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25673_2n4n 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 c25673_2n4n _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 . . . . . . . . . c25673_2n4n 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 c25673_2n4n _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' . . . c25673_2n4n 1 2 '2D 1H-1H TOCSY' . . . c25673_2n4n 1 3 '2D 1H-1H ROESY' . . . c25673_2n4n 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 1 1 ACE HA H 1 2.362 . . . . . . . 0 ACE HA . c25673_2n4n 1 2 . 1 1 2 2 GLU H H 1 8.357 . . . . . . A 1 GLU HN . c25673_2n4n 1 3 . 1 1 2 2 GLU HA H 1 4.198 . . . . . . A 1 GLU HA . c25673_2n4n 1 4 . 1 1 2 2 GLU HB2 H 1 2.263 . . . . . . A 1 GLU HB2 . c25673_2n4n 1 5 . 1 1 2 2 GLU HB3 H 1 1.909 . . . . . . A 1 GLU HB3 . c25673_2n4n 1 6 . 1 1 3 3 ARG H H 1 8.327 . . . . . . A 2 ARG H . c25673_2n4n 1 7 . 1 1 3 3 ARG HA H 1 4.353 . . . . . . A 2 ARG HA . c25673_2n4n 1 8 . 1 1 3 3 ARG HB2 H 1 1.529 . . . . . . A 2 ARG HB2 . c25673_2n4n 1 9 . 1 1 3 3 ARG HB3 H 1 1.529 . . . . . . A 2 ARG HB3 . c25673_2n4n 1 10 . 1 1 3 3 ARG HG2 H 1 1.411 . . . . . . A 2 ARG HG2 . c25673_2n4n 1 11 . 1 1 3 3 ARG HG3 H 1 1.351 . . . . . . A 2 ARG HG3 . c25673_2n4n 1 12 . 1 1 3 3 ARG HD2 H 1 3.059 . . . . . . A 2 ARG HD2 . c25673_2n4n 1 13 . 1 1 3 3 ARG HD3 H 1 3.059 . . . . . . A 2 ARG HD3 . c25673_2n4n 1 14 . 1 1 3 3 ARG HE H 1 7.169 . . . . . . A 2 ARG HE . c25673_2n4n 1 15 . 1 1 4 4 PHE H H 1 8.361 . . . . . . A 3 PHE H . c25673_2n4n 1 16 . 1 1 4 4 PHE HA H 1 4.877 . . . . . . A 3 PHE HA . c25673_2n4n 1 17 . 1 1 4 4 PHE HB2 H 1 2.962 . . . . . . A 3 PHE HB2 . c25673_2n4n 1 18 . 1 1 4 4 PHE HB3 H 1 2.664 . . . . . . A 3 PHE HB3 . c25673_2n4n 1 19 . 1 1 4 4 PHE HD1 H 1 7.020 . . . . . . A 3 PHE HD1 . c25673_2n4n 1 20 . 1 1 4 4 PHE HD2 H 1 7.020 . . . . . . A 3 PHE HD2 . c25673_2n4n 1 21 . 1 1 4 4 PHE HZ H 1 7.568 . . . . . . A 3 PHE HZ . c25673_2n4n 1 22 . 1 1 5 5 TYR H H 1 8.357 . . . . . . A 4 TYR H . c25673_2n4n 1 23 . 1 1 5 5 TYR HA H 1 4.548 . . . . . . A 4 TYR HA . c25673_2n4n 1 24 . 1 1 5 5 TYR HB2 H 1 2.970 . . . . . . A 4 TYR HB2 . c25673_2n4n 1 25 . 1 1 5 5 TYR HB3 H 1 2.847 . . . . . . A 4 TYR HB3 . c25673_2n4n 1 26 . 1 1 5 5 TYR HD1 H 1 7.064 . . . . . . A 4 TYR HD1 . c25673_2n4n 1 27 . 1 1 5 5 TYR HD2 H 1 7.064 . . . . . . A 4 TYR HD2 . c25673_2n4n 1 28 . 1 1 5 5 TYR HE1 H 1 6.744 . . . . . . A 4 TYR HE1 . c25673_2n4n 1 29 . 1 1 5 5 TYR HE2 H 1 6.744 . . . . . . A 4 TYR HE2 . c25673_2n4n 1 30 . 1 1 6 6 GLU H H 1 8.695 . . . . . . A 5 GLU H . c25673_2n4n 1 31 . 1 1 6 6 GLU HA H 1 4.360 . . . . . . A 5 GLU HA . c25673_2n4n 1 32 . 1 1 6 6 GLU HB2 H 1 1.917 . . . . . . A 5 GLU HB2 . c25673_2n4n 1 33 . 1 1 6 6 GLU HB3 H 1 1.917 . . . . . . A 5 GLU HB3 . c25673_2n4n 1 34 . 1 1 6 6 GLU HG2 H 1 2.377 . . . . . . A 5 GLU HG2 . c25673_2n4n 1 35 . 1 1 6 6 GLU HG3 H 1 2.377 . . . . . . A 5 GLU HG3 . c25673_2n4n 1 36 . 1 1 7 7 LYS H H 1 8.584 . . . . . . A 6 LYS H . c25673_2n4n 1 37 . 1 1 7 7 LYS HA H 1 4.531 . . . . . . A 6 LYS HA . c25673_2n4n 1 38 . 1 1 7 7 LYS HB2 H 1 1.810 . . . . . . A 6 LYS HB2 . c25673_2n4n 1 39 . 1 1 7 7 LYS HB3 H 1 1.810 . . . . . . A 6 LYS HB3 . c25673_2n4n 1 40 . 1 1 7 7 LYS HD2 H 1 1.712 . . . . . . A 6 LYS HD2 . c25673_2n4n 1 41 . 1 1 7 7 LYS HD3 H 1 1.712 . . . . . . A 6 LYS HD3 . c25673_2n4n 1 42 . 1 1 8 8 4G6 HAA H 1 1.163 . . . . . . A 7 4G6 HAA . c25673_2n4n 1 43 . 1 1 8 8 4G6 HAD H 1 1.293 . . . . . . A 7 4G6 HAD . c25673_2n4n 1 44 . 1 1 8 8 4G6 HAG H 1 3.538 . . . . . . A 7 4G6 HAG . c25673_2n4n 1 45 . 1 1 8 8 4G6 HAI H 1 8.023 . . . . . . A 7 4G6 HAI . c25673_2n4n 1 46 . 1 1 9 9 DPR HB2 H 1 2.025 . . . . . . A 8 DPR HB2 . c25673_2n4n 1 47 . 1 1 9 9 DPR HB3 H 1 2.405 . . . . . . A 8 DPR HB3 . c25673_2n4n 1 48 . 1 1 9 9 DPR HD2 H 1 3.490 . . . . . . A 8 DPR HD2 . c25673_2n4n 1 49 . 1 1 9 9 DPR HD3 H 1 3.490 . . . . . . A 8 DPR HD3 . c25673_2n4n 1 50 . 1 1 10 10 VAL H H 1 8.154 . . . . . . A 9 VAL H . c25673_2n4n 1 51 . 1 1 10 10 VAL HA H 1 4.193 . . . . . . A 9 VAL HA . c25673_2n4n 1 52 . 1 1 10 10 VAL HB H 1 2.186 . . . . . . A 9 VAL HB . c25673_2n4n 1 53 . 1 1 10 10 VAL HG11 H 1 0.947 . . . . . . A 9 VAL HG11 . c25673_2n4n 1 54 . 1 1 10 10 VAL HG12 H 1 0.947 . . . . . . A 9 VAL HG12 . c25673_2n4n 1 55 . 1 1 10 10 VAL HG13 H 1 0.947 . . . . . . A 9 VAL HG13 . c25673_2n4n 1 56 . 1 1 10 10 VAL HG21 H 1 0.947 . . . . . . A 9 VAL HG21 . c25673_2n4n 1 57 . 1 1 10 10 VAL HG22 H 1 0.947 . . . . . . A 9 VAL HG22 . c25673_2n4n 1 58 . 1 1 10 10 VAL HG23 H 1 0.947 . . . . . . A 9 VAL HG23 . c25673_2n4n 1 59 . 1 1 11 11 GLN H H 1 8.603 . . . . . . A 10 GLN H . c25673_2n4n 1 60 . 1 1 11 11 GLN HA H 1 4.598 . . . . . . A 10 GLN HA . c25673_2n4n 1 61 . 1 1 11 11 GLN HB2 H 1 1.983 . . . . . . A 10 GLN HB2 . c25673_2n4n 1 62 . 1 1 11 11 GLN HB3 H 1 1.983 . . . . . . A 10 GLN HB3 . c25673_2n4n 1 63 . 1 1 11 11 GLN HG2 H 1 2.228 . . . . . . A 10 GLN HG2 . c25673_2n4n 1 64 . 1 1 11 11 GLN HG3 H 1 2.228 . . . . . . A 10 GLN HG3 . c25673_2n4n 1 65 . 1 1 12 12 LYS H H 1 8.438 . . . . . . A 11 LYS H . c25673_2n4n 1 66 . 1 1 12 12 LYS HA H 1 4.449 . . . . . . A 11 LYS HA . c25673_2n4n 1 67 . 1 1 12 12 LYS HB2 H 1 1.719 . . . . . . A 11 LYS HB2 . c25673_2n4n 1 68 . 1 1 12 12 LYS HB3 H 1 1.719 . . . . . . A 11 LYS HB3 . c25673_2n4n 1 69 . 1 1 12 12 LYS HG2 H 1 1.315 . . . . . . A 11 LYS HG2 . c25673_2n4n 1 70 . 1 1 12 12 LYS HG3 H 1 1.315 . . . . . . A 11 LYS HG3 . c25673_2n4n 1 71 . 1 1 12 12 LYS HD2 H 1 1.617 . . . . . . A 11 LYS HD2 . c25673_2n4n 1 72 . 1 1 12 12 LYS HD3 H 1 1.617 . . . . . . A 11 LYS HD3 . c25673_2n4n 1 73 . 1 1 12 12 LYS HE2 H 1 2.961 . . . . . . A 11 LYS HE2 . c25673_2n4n 1 74 . 1 1 12 12 LYS HE3 H 1 2.961 . . . . . . A 11 LYS HE3 . c25673_2n4n 1 75 . 1 1 12 12 LYS HZ1 H 1 7.655 . . . . . . A 11 LYS HZ1 . c25673_2n4n 1 76 . 1 1 12 12 LYS HZ2 H 1 7.655 . . . . . . A 11 LYS HZ2 . c25673_2n4n 1 77 . 1 1 12 12 LYS HZ3 H 1 7.655 . . . . . . A 11 LYS HZ3 . c25673_2n4n 1 78 . 1 1 13 13 PHE H H 1 8.863 . . . . . . A 12 PHE H . c25673_2n4n 1 79 . 1 1 13 13 PHE HA H 1 4.796 . . . . . . A 12 PHE HA . c25673_2n4n 1 80 . 1 1 13 13 PHE HB2 H 1 2.907 . . . . . . A 12 PHE HB2 . c25673_2n4n 1 81 . 1 1 13 13 PHE HB3 H 1 2.894 . . . . . . A 12 PHE HB3 . c25673_2n4n 1 82 . 1 1 13 13 PHE HD1 H 1 7.268 . . . . . . A 12 PHE HD1 . c25673_2n4n 1 83 . 1 1 13 13 PHE HD2 H 1 7.268 . . . . . . A 12 PHE HD2 . c25673_2n4n 1 84 . 1 1 13 13 PHE HZ H 1 7.812 . . . . . . A 12 PHE HZ . c25673_2n4n 1 85 . 1 1 14 14 ILE H H 1 8.430 . . . . . . A 13 ILE H . c25673_2n4n 1 86 . 1 1 14 14 ILE HA H 1 4.503 . . . . . . A 13 ILE HA . c25673_2n4n 1 87 . 1 1 14 14 ILE HG12 H 1 1.692 . . . . . . A 13 ILE HG12 . c25673_2n4n 1 88 . 1 1 14 14 ILE HG13 H 1 1.045 . . . . . . A 13 ILE HG13 . c25673_2n4n 1 89 . 1 1 14 14 ILE HD11 H 1 0.752 . . . . . . A 13 ILE HD11 . c25673_2n4n 1 90 . 1 1 14 14 ILE HD12 H 1 0.752 . . . . . . A 13 ILE HD12 . c25673_2n4n 1 91 . 1 1 14 14 ILE HD13 H 1 0.752 . . . . . . A 13 ILE HD13 . c25673_2n4n 1 92 . 1 1 15 15 ARG H H 1 8.480 . . . . . . A 14 ARG H . c25673_2n4n 1 93 . 1 1 15 15 ARG HA H 1 4.491 . . . . . . A 14 ARG HA . c25673_2n4n 1 94 . 1 1 15 15 ARG HB2 H 1 1.738 . . . . . . A 14 ARG HB2 . c25673_2n4n 1 95 . 1 1 15 15 ARG HB3 H 1 1.672 . . . . . . A 14 ARG HB3 . c25673_2n4n 1 96 . 1 1 15 15 ARG HG2 H 1 1.563 . . . . . . A 14 ARG HG2 . c25673_2n4n 1 97 . 1 1 15 15 ARG HG3 H 1 1.563 . . . . . . A 14 ARG HG3 . c25673_2n4n 1 98 . 1 1 15 15 ARG HD2 H 1 3.065 . . . . . . A 14 ARG HD2 . c25673_2n4n 1 99 . 1 1 15 15 ARG HD3 H 1 3.065 . . . . . . A 14 ARG HD3 . c25673_2n4n 1 100 . 1 1 15 15 ARG HE H 1 7.163 . . . . . . A 14 ARG HE . c25673_2n4n 1 101 . 1 1 16 16 VAL H H 1 7.908 . . . . . . A 15 VAL H . c25673_2n4n 1 102 . 1 1 16 16 VAL HA H 1 4.350 . . . . . . A 15 VAL HA . c25673_2n4n 1 103 . 1 1 16 16 VAL HB H 1 1.998 . . . . . . A 15 VAL HB . c25673_2n4n 1 104 . 1 1 16 16 VAL HG11 H 1 0.864 . . . . . . A 15 VAL HG11 . c25673_2n4n 1 105 . 1 1 16 16 VAL HG12 H 1 0.864 . . . . . . A 15 VAL HG12 . c25673_2n4n 1 106 . 1 1 16 16 VAL HG13 H 1 0.864 . . . . . . A 15 VAL HG13 . c25673_2n4n 1 107 . 1 1 16 16 VAL HG21 H 1 0.864 . . . . . . A 15 VAL HG21 . c25673_2n4n 1 108 . 1 1 16 16 VAL HG22 H 1 0.864 . . . . . . A 15 VAL HG22 . c25673_2n4n 1 109 . 1 1 16 16 VAL HG23 H 1 0.864 . . . . . . A 15 VAL HG23 . c25673_2n4n 1 110 . 1 1 17 17 4FU H14 H 1 2.917 . . . . . . A 16 4FU H14 . c25673_2n4n 1 111 . 1 1 17 17 4FU HAK H 1 1.759 . . . . . . A 16 4FU HAK . c25673_2n4n 1 112 . 1 1 18 18 GLY H H 1 8.229 . . . . . . A 17 GLY H . c25673_2n4n 1 113 . 1 1 18 18 GLY HA2 H 1 4.058 . . . . . . A 17 GLY HA2 . c25673_2n4n 1 114 . 1 1 18 18 GLY HA3 H 1 3.797 . . . . . . A 17 GLY HA3 . c25673_2n4n 1 115 . 1 1 19 19 VAL H H 1 8.820 . . . . . . A 18 VAL H . c25673_2n4n 1 116 . 1 1 19 19 VAL HA H 1 4.243 . . . . . . A 18 VAL HA . c25673_2n4n 1 117 . 1 1 19 19 VAL HB H 1 1.824 . . . . . . A 18 VAL HB . c25673_2n4n 1 118 . 1 1 19 19 VAL HG11 H 1 0.870 . . . . . . A 18 VAL HG11 . c25673_2n4n 1 119 . 1 1 19 19 VAL HG12 H 1 0.870 . . . . . . A 18 VAL HG12 . c25673_2n4n 1 120 . 1 1 19 19 VAL HG13 H 1 0.870 . . . . . . A 18 VAL HG13 . c25673_2n4n 1 121 . 1 1 19 19 VAL HG21 H 1 0.870 . . . . . . A 18 VAL HG21 . c25673_2n4n 1 122 . 1 1 19 19 VAL HG22 H 1 0.870 . . . . . . A 18 VAL HG22 . c25673_2n4n 1 123 . 1 1 19 19 VAL HG23 H 1 0.870 . . . . . . A 18 VAL HG23 . c25673_2n4n 1 124 . 1 1 20 20 THR H H 1 8.671 . . . . . . A 19 THR H . c25673_2n4n 1 125 . 1 1 20 20 THR HA H 1 4.717 . . . . . . A 19 THR HA . c25673_2n4n 1 126 . 1 1 20 20 THR HB H 1 4.033 . . . . . . A 19 THR HB . c25673_2n4n 1 127 . 1 1 20 20 THR HG21 H 1 1.119 . . . . . . A 19 THR HG21 . c25673_2n4n 1 128 . 1 1 20 20 THR HG22 H 1 1.119 . . . . . . A 19 THR HG22 . c25673_2n4n 1 129 . 1 1 20 20 THR HG23 H 1 1.119 . . . . . . A 19 THR HG23 . c25673_2n4n 1 130 . 1 1 21 21 ILE H H 1 8.691 . . . . . . A 20 ILE H . c25673_2n4n 1 131 . 1 1 21 21 ILE HA H 1 4.446 . . . . . . A 20 ILE HA . c25673_2n4n 1 132 . 1 1 21 21 ILE HB H 1 2.050 . . . . . . A 20 ILE HB . c25673_2n4n 1 133 . 1 1 21 21 ILE HG12 H 1 1.420 . . . . . . A 20 ILE HG12 . c25673_2n4n 1 134 . 1 1 21 21 ILE HG13 H 1 1.125 . . . . . . A 20 ILE HG13 . c25673_2n4n 1 135 . 1 1 21 21 ILE HG21 H 1 0.922 . . . . . . A 20 ILE HG21 . c25673_2n4n 1 136 . 1 1 21 21 ILE HG22 H 1 0.922 . . . . . . A 20 ILE HG22 . c25673_2n4n 1 137 . 1 1 21 21 ILE HG23 H 1 0.922 . . . . . . A 20 ILE HG23 . c25673_2n4n 1 138 . 1 1 21 21 ILE HD11 H 1 0.792 . . . . . . A 20 ILE HD11 . c25673_2n4n 1 139 . 1 1 21 21 ILE HD12 H 1 0.792 . . . . . . A 20 ILE HD12 . c25673_2n4n 1 140 . 1 1 21 21 ILE HD13 H 1 0.792 . . . . . . A 20 ILE HD13 . c25673_2n4n 1 141 . 1 1 22 22 ARG H H 1 8.686 . . . . . . A 21 ARG H . c25673_2n4n 1 142 . 1 1 22 22 ARG HA H 1 4.610 . . . . . . A 21 ARG HA . c25673_2n4n 1 143 . 1 1 22 22 ARG HB2 H 1 1.773 . . . . . . A 21 ARG HB2 . c25673_2n4n 1 144 . 1 1 22 22 ARG HB3 H 1 1.704 . . . . . . A 21 ARG HB3 . c25673_2n4n 1 145 . 1 1 22 22 ARG HG2 H 1 1.572 . . . . . . A 21 ARG HG2 . c25673_2n4n 1 146 . 1 1 22 22 ARG HG3 H 1 1.520 . . . . . . A 21 ARG HG3 . c25673_2n4n 1 147 . 1 1 22 22 ARG HD2 H 1 3.130 . . . . . . A 21 ARG HD2 . c25673_2n4n 1 148 . 1 1 22 22 ARG HD3 H 1 3.130 . . . . . . A 21 ARG HD3 . c25673_2n4n 1 149 . 1 1 22 22 ARG HE H 1 7.240 . . . . . . A 21 ARG HE . c25673_2n4n 1 150 . 1 1 22 22 ARG HH11 H 1 7.048 . . . . . . A 21 ARG HH11 . c25673_2n4n 1 151 . 1 1 22 22 ARG HH12 H 1 7.048 . . . . . . A 21 ARG HH12 . c25673_2n4n 1 152 . 1 1 22 22 ARG HH21 H 1 7.048 . . . . . . A 21 ARG HH21 . c25673_2n4n 1 153 . 1 1 22 22 ARG HH22 H 1 7.048 . . . . . . A 21 ARG HH22 . c25673_2n4n 1 154 . 1 1 23 23 GLU H H 1 8.495 . . . . . . A 22 GLU H . c25673_2n4n 1 155 . 1 1 23 23 GLU HA H 1 4.455 . . . . . . A 22 GLU HA . c25673_2n4n 1 156 . 1 1 23 23 GLU HB2 H 1 2.050 . . . . . . A 22 GLU HB2 . c25673_2n4n 1 157 . 1 1 23 23 GLU HB3 H 1 1.896 . . . . . . A 22 GLU HB3 . c25673_2n4n 1 158 . 1 1 23 23 GLU HG2 H 1 2.352 . . . . . . A 22 GLU HG2 . c25673_2n4n 1 159 . 1 1 23 23 GLU HG3 H 1 2.352 . . . . . . A 22 GLU HG3 . c25673_2n4n 1 160 . 1 1 24 24 LYS H H 1 8.653 . . . . . . A 23 LYS HN . c25673_2n4n 1 161 . 1 1 24 24 LYS HA H 1 4.308 . . . . . . A 23 LYS HA . c25673_2n4n 1 162 . 1 1 24 24 LYS HB2 H 1 1.808 . . . . . . A 23 LYS HB2 . c25673_2n4n 1 163 . 1 1 24 24 LYS HB3 H 1 1.808 . . . . . . A 23 LYS HB . c25673_2n4n 1 164 . 1 1 24 24 LYS HG2 H 1 1.457 . . . . . . A 23 LYS HG2 . c25673_2n4n 1 165 . 1 1 24 24 LYS HG3 H 1 1.457 . . . . . . A 23 LYS HG . c25673_2n4n 1 166 . 1 1 24 24 LYS HD2 H 1 1.688 . . . . . . A 23 LYS HD2 . c25673_2n4n 1 167 . 1 1 24 24 LYS HD3 H 1 1.688 . . . . . . A 23 LYS HD . c25673_2n4n 1 168 . 1 1 24 24 LYS HE2 H 1 2.995 . . . . . . A 23 LYS HE2 . c25673_2n4n 1 169 . 1 1 24 24 LYS HE3 H 1 2.995 . . . . . . A 23 LYS HE . c25673_2n4n 1 170 . 1 1 24 24 LYS HZ1 H 1 7.622 . . . . . . A 23 LYS HZ1 . c25673_2n4n 1 171 . 1 1 24 24 LYS HZ2 H 1 7.622 . . . . . . A 23 LYS HZ2 . c25673_2n4n 1 172 . 1 1 24 24 LYS HZ3 H 1 7.622 . . . . . . A 23 LYS HZ3 . c25673_2n4n 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 c25673_2n4n _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 c25673_2n4n _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 . . . c25673_2n4n 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 . . . . c25673_2n4n 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 11.672 0.023 -1.405 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 1 . 2 . 1 1 1 ACE CH3 C 11.569 -1.419 -0.918 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 1 . 3 . 1 1 1 ACE H1 H 12.342 -2.012 -1.384 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 1 . 4 . 1 1 1 ACE H2 H 10.601 -1.819 -1.180 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 1 . 5 . 1 1 1 ACE H3 H 11.692 -1.446 0.155 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 1 . 6 . 1 1 1 ACE O O 10.692 0.601 -1.874 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 1 . 7 . 1 1 2 GLU C C 14.580 2.220 -1.968 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 1 . 8 . 1 1 2 GLU CA C 13.089 1.971 -1.728 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 1 . 9 . 1 1 2 GLU CB C 12.543 2.959 -0.688 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 1 . 10 . 1 1 2 GLU CD C 12.703 3.747 1.680 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 1 . 11 . 1 1 2 GLU CG C 13.243 2.754 0.656 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 1 . 12 . 1 1 2 GLU H H 13.609 0.085 -0.914 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 1 . 13 . 1 1 2 GLU HA H 12.563 2.125 -2.658 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 1 . 14 . 1 1 2 GLU HB2 H 12.709 3.970 -1.030 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 15 . 1 1 2 GLU HB3 H 11.483 2.795 -0.564 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 16 . 1 1 2 GLU HG2 H 13.057 1.751 1.004 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 17 . 1 1 2 GLU HG3 H 14.305 2.904 0.537 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 18 . 1 1 2 GLU N N 12.866 0.596 -1.293 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 1 . 19 . 1 1 2 GLU O O 15.340 1.285 -2.259 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 1 . 20 . 1 1 2 GLU OE1 O 12.824 4.937 1.442 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 1 . 21 . 1 1 2 GLU OE2 O 12.177 3.303 2.687 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 1 . 22 . 1 1 3 ARG C C 17.057 4.211 -0.767 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 1 . 23 . 1 1 3 ARG CA C 16.390 3.870 -2.096 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 1 . 24 . 1 1 3 ARG CB C 16.510 5.116 -3.004 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 1 . 25 . 1 1 3 ARG CD C 14.425 4.661 -4.433 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 1 . 26 . 1 1 3 ARG CG C 15.942 4.921 -4.432 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 1 . 27 . 1 1 3 ARG CZ C 13.935 5.673 -6.597 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 1 . 28 . 1 1 3 ARG H H 14.342 4.189 -1.652 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 1 . 29 . 1 1 3 ARG HA H 16.916 3.044 -2.550 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 1 . 30 . 1 1 3 ARG HB2 H 15.984 5.933 -2.538 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 31 . 1 1 3 ARG HB3 H 17.556 5.382 -3.082 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 32 . 1 1 3 ARG HD2 H 14.221 3.720 -3.974 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 33 . 1 1 3 ARG HD3 H 13.921 5.446 -3.890 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 34 . 1 1 3 ARG HE H 13.567 3.758 -6.147 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 1 . 35 . 1 1 3 ARG HG2 H 16.149 5.807 -5.010 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 36 . 1 1 3 ARG HG3 H 16.442 4.084 -4.890 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 37 . 1 1 3 ARG HH11 H 14.628 6.916 -5.188 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 1 . 38 . 1 1 3 ARG HH12 H 14.348 7.626 -6.743 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 1 . 39 . 1 1 3 ARG HH21 H 13.196 4.691 -8.177 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 1 . 40 . 1 1 3 ARG HH22 H 13.538 6.370 -8.432 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 1 . 41 . 1 1 3 ARG N N 14.993 3.492 -1.868 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 1 . 42 . 1 1 3 ARG NE N 13.913 4.607 -5.800 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 1 . 43 . 1 1 3 ARG NH1 N 14.335 6.829 -6.141 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 1 . 44 . 1 1 3 ARG NH2 N 13.525 5.570 -7.831 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 1 . 45 . 1 1 3 ARG O O 16.405 4.703 0.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 1 . 46 . 1 1 4 PHE C C 20.552 4.587 0.271 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 1 . 47 . 1 1 4 PHE CA C 19.096 4.218 0.572 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 1 . 48 . 1 1 4 PHE CB C 19.033 2.970 1.449 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 1 . 49 . 1 1 4 PHE CD1 C 19.286 4.181 3.656 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 1 . 50 . 1 1 4 PHE CD2 C 20.793 2.349 3.152 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 1 . 51 . 1 1 4 PHE CE1 C 19.907 4.347 4.900 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 1 . 52 . 1 1 4 PHE CE2 C 21.413 2.519 4.392 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 1 . 53 . 1 1 4 PHE CG C 19.730 3.181 2.778 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 1 . 54 . 1 1 4 PHE CZ C 20.971 3.516 5.267 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 1 . 55 . 1 1 4 PHE H H 18.832 3.536 -1.430 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 1 . 56 . 1 1 4 PHE HA H 18.626 5.040 1.090 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 1 . 57 . 1 1 4 PHE HB2 H 17.999 2.720 1.631 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 58 . 1 1 4 PHE HB3 H 19.509 2.158 0.919 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 59 . 1 1 4 PHE HD1 H 18.465 4.824 3.377 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 1 . 60 . 1 1 4 PHE HD2 H 21.139 1.577 2.479 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 61 . 1 1 4 PHE HE1 H 19.566 5.117 5.576 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 1 . 62 . 1 1 4 PHE HE2 H 22.227 1.875 4.676 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 1 . 63 . 1 1 4 PHE HZ H 21.448 3.641 6.227 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 1 . 64 . 1 1 4 PHE N N 18.362 3.939 -0.666 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 1 . 65 . 1 1 4 PHE O O 21.284 3.809 -0.348 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 1 . 66 . 1 1 5 TYR C C 22.988 6.774 1.773 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 1 . 67 . 1 1 5 TYR CA C 22.339 6.264 0.494 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 1 . 68 . 1 1 5 TYR CB C 22.330 7.393 -0.545 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 1 . 69 . 1 1 5 TYR CD1 C 24.809 7.176 -1.106 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 1 . 70 . 1 1 5 TYR CD2 C 23.937 9.348 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 1 . 71 . 1 1 5 TYR CE1 C 26.082 7.739 -1.258 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 1 . 72 . 1 1 5 TYR CE2 C 25.211 9.904 -0.614 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 1 . 73 . 1 1 5 TYR CG C 23.728 7.980 -0.705 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 1 . 74 . 1 1 5 TYR CZ C 26.283 9.100 -1.013 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 1 . 75 . 1 1 5 TYR H H 20.334 6.350 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 1 . 76 . 1 1 5 TYR HA H 22.940 5.454 0.109 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 1 . 77 . 1 1 5 TYR HB2 H 21.995 7.003 -1.494 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 78 . 1 1 5 TYR HB3 H 21.649 8.167 -0.220 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 79 . 1 1 5 TYR HD1 H 24.668 6.128 -1.288 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 1 . 80 . 1 1 5 TYR HD2 H 23.112 9.974 -0.154 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 81 . 1 1 5 TYR HE1 H 26.911 7.119 -1.567 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 1 . 82 . 1 1 5 TYR HE2 H 25.367 10.955 -0.425 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 1 . 83 . 1 1 5 TYR HH H 28.009 9.140 -1.827 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 1 . 84 . 1 1 5 TYR N N 20.966 5.781 0.715 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 1 . 85 . 1 1 5 TYR O O 22.686 7.870 2.239 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 1 . 86 . 1 1 5 TYR OH O 27.539 9.651 -1.164 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 1 . 87 . 1 1 6 GLU C C 26.113 5.911 3.377 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 1 . 88 . 1 1 6 GLU CA C 24.667 6.376 3.505 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 1 . 89 . 1 1 6 GLU CB C 24.033 5.762 4.759 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 1 . 90 . 1 1 6 GLU CD C 22.594 7.792 5.120 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 1 . 91 . 1 1 6 GLU CG C 22.600 6.276 4.949 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 1 . 92 . 1 1 6 GLU H H 24.142 5.137 1.856 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 1 . 93 . 1 1 6 GLU HA H 24.659 7.452 3.598 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 1 . 94 . 1 1 6 GLU HB2 H 24.014 4.691 4.659 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 95 . 1 1 6 GLU HB3 H 24.623 6.029 5.623 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 96 . 1 1 6 GLU HG2 H 22.009 6.011 4.084 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 97 . 1 1 6 GLU HG3 H 22.171 5.818 5.827 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 98 . 1 1 6 GLU N N 23.923 5.988 2.303 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 1 . 99 . 1 1 6 GLU O O 26.389 4.906 2.727 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 1 . 100 . 1 1 6 GLU OE1 O 23.242 8.266 6.039 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 1 . 101 . 1 1 6 GLU OE2 O 21.922 8.456 4.350 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 1 . 102 . 1 1 7 LYS C C 29.033 6.123 5.332 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 1 . 103 . 1 1 7 LYS CA C 28.465 6.302 3.929 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 1 . 104 . 1 1 7 LYS CB C 29.239 7.402 3.196 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 1 . 105 . 1 1 7 LYS CD C 29.766 9.898 3.202 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 1 . 106 . 1 1 7 LYS CE C 31.284 9.672 3.125 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 1 . 107 . 1 1 7 LYS CG C 29.049 8.740 3.928 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 1 . 108 . 1 1 7 LYS H H 26.762 7.445 4.490 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 1 . 109 . 1 1 7 LYS HA H 28.590 5.374 3.388 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 1 . 110 . 1 1 7 LYS HB2 H 30.280 7.131 3.186 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 111 . 1 1 7 LYS HB3 H 28.875 7.489 2.183 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 112 . 1 1 7 LYS HD2 H 29.374 9.981 2.200 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 113 . 1 1 7 LYS HD3 H 29.573 10.820 3.732 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 114 . 1 1 7 LYS HE2 H 31.508 8.797 2.542 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 1 . 115 . 1 1 7 LYS HE3 H 31.740 10.531 2.654 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 1 . 116 . 1 1 7 LYS HG2 H 27.994 8.962 3.988 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 117 . 1 1 7 LYS HG3 H 29.447 8.655 4.930 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 118 . 1 1 7 LYS HZ1 H 32.831 9.823 4.511 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 1 . 119 . 1 1 7 LYS HZ2 H 31.764 8.533 4.801 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 1 . 120 . 1 1 7 LYS HZ3 H 31.292 10.125 5.158 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 1 . 121 . 1 1 7 LYS N N 27.039 6.650 3.989 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 1 . 122 . 1 1 7 LYS NZ N 31.834 9.528 4.503 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 1 . 123 . 1 1 7 LYS O O 28.436 6.564 6.315 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 1 . 124 . 1 1 8 . CAA C 32.888 6.485 6.311 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 1 . 125 . 1 1 8 . CAB C 32.819 4.706 8.043 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 1 . 126 . 1 1 8 . CAE C 30.766 5.279 6.765 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 1 . 127 . 1 1 8 . CAF C 32.286 5.126 6.672 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 1 . 128 . 1 1 8 . HAA H 33.879 6.572 6.753 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 1 . 129 . 1 1 8 . HAB H 32.247 7.280 6.693 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 1 . 130 . 1 1 8 . HAC H 32.965 6.572 5.227 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 1 . 131 . 1 1 8 . HAD H 32.514 5.436 8.793 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 1 . 132 . 1 1 8 . HAE H 33.906 4.650 8.009 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 1 . 133 . 1 1 8 . HAF H 32.415 3.726 8.301 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 1 . 134 . 1 1 8 . HAG H 30.347 4.379 7.215 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 1 . 135 . 1 1 8 . HAH H 30.530 6.135 7.397 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 1 . 136 . 1 1 8 . HAI H 30.626 5.138 4.620 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 1 . 137 . 1 1 8 . HAL H 33.459 4.305 5.081 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 1 . 138 . 1 1 8 . NAC N 30.168 5.485 5.439 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 1 . 139 . 1 1 8 . NAD N 32.664 4.127 5.661 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 1 . 140 . 1 1 9 DPR C C 32.011 3.002 5.506 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 1 . 141 . 1 1 9 DPR CA C 32.536 2.046 4.430 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 1 . 142 . 1 1 9 DPR CB C 32.459 0.591 4.910 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 1 . 143 . 1 1 9 DPR CD C 31.546 0.693 2.635 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 1 . 144 . 1 1 9 DPR CG C 32.232 -0.225 3.668 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 1 . 145 . 1 1 9 DPR HA H 33.558 2.288 4.188 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 1 . 146 . 1 1 9 DPR HB2 H 33.390 0.307 5.392 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 147 . 1 1 9 DPR HB3 H 31.633 0.462 5.600 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 148 . 1 1 9 DPR HD2 H 32.044 0.616 1.675 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 149 . 1 1 9 DPR HD3 H 30.498 0.449 2.535 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 150 . 1 1 9 DPR HG2 H 33.182 -0.578 3.281 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 151 . 1 1 9 DPR HG3 H 31.593 -1.069 3.886 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 152 . 1 1 9 DPR N N 31.702 2.052 3.191 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 1 . 153 . 1 1 9 DPR O O 31.036 2.693 6.190 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 1 . 154 . 1 1 10 VAL C C 31.197 3.159 2.696 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 1 . 155 . 1 1 10 VAL CA C 30.350 3.083 1.417 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 1 . 156 . 1 1 10 VAL CB C 30.526 4.384 0.633 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 1 . 157 . 1 1 10 VAL CG1 C 32.003 4.569 0.277 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 1 . 158 . 1 1 10 VAL CG2 C 29.695 4.325 -0.649 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 1 . 159 . 1 1 10 VAL H H 28.454 3.623 2.207 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 1 . 160 . 1 1 10 VAL HA H 30.690 2.260 0.800 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 1 . 161 . 1 1 10 VAL HB H 30.196 5.215 1.239 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 1 . 162 . 1 1 10 VAL HG11 H 32.389 3.656 -0.151 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 1 . 163 . 1 1 10 VAL HG12 H 32.560 4.811 1.170 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 1 . 164 . 1 1 10 VAL HG13 H 32.103 5.372 -0.438 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 1 . 165 . 1 1 10 VAL HG21 H 30.150 3.631 -1.342 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 1 . 166 . 1 1 10 VAL HG22 H 29.655 5.307 -1.098 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 1 . 167 . 1 1 10 VAL HG23 H 28.694 3.995 -0.415 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 1 . 168 . 1 1 10 VAL N N 28.936 2.900 1.751 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 1 . 169 . 1 1 10 VAL O O 31.391 4.246 3.239 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 1 . 170 . 1 1 11 GLN C C 28.294 1.768 1.470 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 1 . 171 . 1 1 11 GLN CA C 26.832 1.693 1.893 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 1 . 172 . 1 1 11 GLN CB C 26.783 0.883 3.196 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 1 . 173 . 1 1 11 GLN CD C 24.752 2.087 4.089 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 1 . 174 . 1 1 11 GLN CG C 25.352 0.733 3.729 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 1 . 175 . 1 1 11 GLN H H 26.264 0.134 0.559 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 1 . 176 . 1 1 11 GLN HA H 26.471 2.685 2.073 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 1 . 177 . 1 1 11 GLN HB2 H 27.195 -0.098 3.016 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 178 . 1 1 11 GLN HB3 H 27.385 1.384 3.940 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 179 . 1 1 11 GLN HE21 H 24.625 1.655 6.023 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 1 . 180 . 1 1 11 GLN HE22 H 24.067 3.196 5.589 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 1 . 181 . 1 1 11 GLN HG2 H 24.741 0.266 2.972 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 182 . 1 1 11 GLN HG3 H 25.368 0.106 4.609 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 183 . 1 1 11 GLN N N 26.007 1.034 0.866 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 1 . 184 . 1 1 11 GLN NE2 N 24.458 2.335 5.337 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 1 . 185 . 1 1 11 GLN O O 28.841 0.813 0.928 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 1 . 186 . 1 1 11 GLN OE1 O 24.566 2.946 3.230 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 1 . 187 . 1 1 12 LYS C C 24.891 1.591 0.359 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 1 . 188 . 1 1 12 LYS CA C 24.158 0.693 -0.652 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 1 . 189 . 1 1 12 LYS CB C 24.615 0.870 -2.121 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 1 . 190 . 1 1 12 LYS CD C 23.897 3.328 -2.207 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 1 . 191 . 1 1 12 LYS CE C 23.082 4.308 -3.063 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 1 . 192 . 1 1 12 LYS CG C 23.825 1.959 -2.869 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 1 . 193 . 1 1 12 LYS H H 22.263 1.444 -0.058 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 1 . 194 . 1 1 12 LYS HA H 24.431 -0.317 -0.375 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 1 . 195 . 1 1 12 LYS HB2 H 25.652 1.144 -2.132 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 196 . 1 1 12 LYS HB3 H 24.497 -0.067 -2.648 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 197 . 1 1 12 LYS HD2 H 23.469 3.276 -1.222 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 198 . 1 1 12 LYS HD3 H 24.922 3.660 -2.152 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 199 . 1 1 12 LYS HE2 H 22.066 3.950 -3.139 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 1 . 200 . 1 1 12 LYS HE3 H 23.078 5.279 -2.608 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 1 . 201 . 1 1 12 LYS HG2 H 24.218 2.039 -3.870 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 202 . 1 1 12 LYS HG3 H 22.790 1.654 -2.929 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 203 . 1 1 12 LYS HZ1 H 23.526 5.355 -4.806 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 1 . 204 . 1 1 12 LYS HZ2 H 23.209 3.706 -5.055 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 1 . 205 . 1 1 12 LYS HZ3 H 24.691 4.199 -4.383 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 1 . 206 . 1 1 12 LYS N N 22.705 0.736 -0.576 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 1 . 207 . 1 1 12 LYS NZ N 23.672 4.398 -4.430 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 1 . 208 . 1 1 12 LYS O O 24.457 2.696 0.714 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 1 . 209 . 1 1 13 PHE C C 21.975 -0.151 -1.234 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 1 . 210 . 1 1 13 PHE CA C 20.456 -0.005 -1.131 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 1 . 211 . 1 1 13 PHE CB C 19.921 -0.740 0.113 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 1 . 212 . 1 1 13 PHE CD1 C 17.543 -1.001 -0.751 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 1 . 213 . 1 1 13 PHE CD2 C 17.904 0.154 1.352 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 1 . 214 . 1 1 13 PHE CE1 C 16.171 -0.769 -0.637 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 1 . 215 . 1 1 13 PHE CE2 C 16.530 0.374 1.464 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 1 . 216 . 1 1 13 PHE CG C 18.420 -0.535 0.245 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 1 . 217 . 1 1 13 PHE CZ C 15.666 -0.081 0.467 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 1 . 218 . 1 1 13 PHE H H 19.993 -1.506 -2.545 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 1 . 219 . 1 1 13 PHE HA H 20.214 1.046 -1.048 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 1 . 220 . 1 1 13 PHE HB2 H 20.125 -1.790 0.021 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 221 . 1 1 13 PHE HB3 H 20.414 -0.351 0.991 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 222 . 1 1 13 PHE HD1 H 17.918 -1.547 -1.598 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 1 . 223 . 1 1 13 PHE HD2 H 18.566 0.497 2.133 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 224 . 1 1 13 PHE HE1 H 15.498 -1.127 -1.402 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 1 . 225 . 1 1 13 PHE HE2 H 16.136 0.906 2.317 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 1 . 226 . 1 1 13 PHE HZ H 14.612 0.103 0.545 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 1 . 227 . 1 1 13 PHE N N 19.839 -0.556 -2.332 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 1 . 228 . 1 1 13 PHE O O 22.482 -1.033 -1.930 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 1 . 229 . 1 1 14 ILE C C 19.063 0.175 -3.142 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 1 . 230 . 1 1 14 ILE CA C 18.499 -0.591 -4.344 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 1 . 231 . 1 1 14 ILE CB C 18.347 0.305 -5.599 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 1 . 232 . 1 1 14 ILE CD1 C 17.117 2.270 -6.633 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 1 . 233 . 1 1 14 ILE CG1 C 17.219 1.343 -5.408 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 1 . 234 . 1 1 14 ILE CG2 C 18.044 -0.566 -6.826 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 1 . 235 . 1 1 14 ILE H H 16.715 -0.881 -3.236 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 1 . 236 . 1 1 14 ILE HA H 19.207 -1.377 -4.577 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 1 . 237 . 1 1 14 ILE HB H 19.280 0.825 -5.767 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 1 . 238 . 1 1 14 ILE HD11 H 17.806 3.095 -6.516 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 1 . 239 . 1 1 14 ILE HD12 H 16.111 2.655 -6.707 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 1 . 240 . 1 1 14 ILE HD13 H 17.355 1.733 -7.537 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 1 . 241 . 1 1 14 ILE HG12 H 16.281 0.826 -5.277 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 1 . 242 . 1 1 14 ILE HG13 H 17.415 1.940 -4.540 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 1 . 243 . 1 1 14 ILE HG21 H 18.704 -1.420 -6.841 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 1 . 244 . 1 1 14 ILE HG22 H 18.200 0.018 -7.722 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 1 . 245 . 1 1 14 ILE HG23 H 17.018 -0.897 -6.792 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 1 . 246 . 1 1 14 ILE N N 17.237 -1.238 -3.992 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 1 . 247 . 1 1 14 ILE O O 18.813 1.363 -2.934 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 1 . 248 . 1 1 15 ARG C C 16.787 -2.317 -4.636 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 1 . 249 . 1 1 15 ARG CA C 15.480 -2.893 -4.103 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 1 . 250 . 1 1 15 ARG CB C 15.829 -4.127 -3.251 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 1 . 251 . 1 1 15 ARG CD C 15.506 -5.834 -5.085 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 1 . 252 . 1 1 15 ARG CG C 16.478 -5.266 -4.060 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 1 . 253 . 1 1 15 ARG CZ C 17.175 -6.972 -6.423 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 1 . 254 . 1 1 15 ARG H H 14.766 -3.005 -6.097 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 1 . 255 . 1 1 15 ARG HA H 15.033 -2.156 -3.453 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 1 . 256 . 1 1 15 ARG HB2 H 16.509 -3.831 -2.470 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 257 . 1 1 15 ARG HB3 H 14.929 -4.505 -2.800 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 258 . 1 1 15 ARG HD2 H 14.569 -6.075 -4.613 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 259 . 1 1 15 ARG HD3 H 15.345 -5.119 -5.871 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 260 . 1 1 15 ARG HE H 15.696 -7.885 -5.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 1 . 261 . 1 1 15 ARG HG2 H 17.346 -4.889 -4.570 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 262 . 1 1 15 ARG HG3 H 16.788 -6.054 -3.398 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 263 . 1 1 15 ARG HH11 H 17.247 -4.972 -6.451 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 1 . 264 . 1 1 15 ARG HH12 H 18.498 -5.778 -7.337 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 1 . 265 . 1 1 15 ARG HH21 H 17.345 -8.960 -6.588 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 1 . 266 . 1 1 15 ARG HH22 H 18.554 -8.034 -7.413 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 1 . 267 . 1 1 15 ARG N N 14.523 -3.193 -5.167 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 1 . 268 . 1 1 15 ARG NE N 16.086 -7.024 -5.662 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 1 . 269 . 1 1 15 ARG NH1 N 17.680 -5.817 -6.762 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 1 . 270 . 1 1 15 ARG NH2 N 17.735 -8.074 -6.841 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 1 . 271 . 1 1 15 ARG O O 17.386 -2.847 -5.569 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 1 . 272 . 1 1 16 VAL C C 13.319 -3.712 -4.900 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 1 . 273 . 1 1 16 VAL CA C 12.415 -3.968 -6.103 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 1 . 274 . 1 1 16 VAL CB C 11.479 -2.765 -6.266 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 1 . 275 . 1 1 16 VAL CG1 C 10.593 -2.934 -7.505 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 1 . 276 . 1 1 16 VAL CG2 C 10.592 -2.648 -5.025 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 1 . 277 . 1 1 16 VAL H H 11.437 -5.533 -5.018 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 1 . 278 . 1 1 16 VAL HA H 13.031 -4.052 -6.988 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 1 . 279 . 1 1 16 VAL HB H 12.068 -1.866 -6.370 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 1 . 280 . 1 1 16 VAL HG11 H 11.199 -3.251 -8.341 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 1 . 281 . 1 1 16 VAL HG12 H 10.126 -1.989 -7.741 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 1 . 282 . 1 1 16 VAL HG13 H 9.830 -3.670 -7.310 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 1 . 283 . 1 1 16 VAL HG21 H 11.186 -2.303 -4.192 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 1 . 284 . 1 1 16 VAL HG22 H 10.172 -3.615 -4.791 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 1 . 285 . 1 1 16 VAL HG23 H 9.795 -1.945 -5.216 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 1 . 286 . 1 1 16 VAL N N 11.633 -5.207 -5.929 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 1 . 287 . 1 1 16 VAL O O 12.927 -3.965 -3.762 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 1 . 288 . 1 1 17 . C11 C 10.098 -8.240 -9.395 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 1 . 289 . 1 1 17 . C12 C 9.294 -7.030 -8.949 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 1 . 290 . 1 1 17 . C13 C 9.054 -7.093 -7.448 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 1 . 291 . 1 1 17 . C14 C 10.375 -7.153 -6.697 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 1 . 292 . 1 1 17 . C15 C 11.191 -5.887 -6.966 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 1 . 293 . 1 1 17 . C7 C 12.460 -8.472 -6.372 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 1 . 294 . 1 1 17 . C8 C 11.147 -8.383 -7.151 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 1 . 295 . 1 1 17 . C9 C 11.419 -8.298 -8.644 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 1 . 296 . 1 1 17 . H111 H 10.301 -8.170 -10.465 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 1 . 297 . 1 1 17 . H112 H 9.528 -9.147 -9.196 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 1 . 298 . 1 1 17 . H12 H 8.335 -7.037 -9.467 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 1 . 299 . 1 1 17 . H14 H 10.173 -7.227 -5.628 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 1 . 300 . 1 1 17 . H8 H 10.554 -9.276 -6.948 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 1 . 301 . 1 1 17 . H9 H 12.007 -7.404 -8.853 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 1 . 302 . 1 1 17 . HAG H 9.827 -6.114 -9.202 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 1 . 303 . 1 1 17 . HAI H 11.974 -9.179 -8.965 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 1 . 304 . 1 1 17 . HAK H 8.498 -6.212 -7.131 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 1 . 305 . 1 1 17 . HAL H 8.469 -7.985 -7.224 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 1 . 306 . 1 1 17 . O1 O 13.147 -7.468 -6.192 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 1 . 307 . 1 1 17 . OAB O 11.417 -5.526 -8.120 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 1 . 308 . 1 1 18 GLY C C 13.899 -9.052 -3.812 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 1 . 309 . 1 1 18 GLY CA C 14.010 -9.816 -5.126 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 1 . 310 . 1 1 18 GLY H H 12.205 -10.407 -6.055 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 1 . 311 . 1 1 18 GLY HA2 H 14.156 -10.868 -4.922 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 1 . 312 . 1 1 18 GLY HA3 H 14.851 -9.439 -5.687 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 1 . 313 . 1 1 18 GLY N N 12.793 -9.640 -5.900 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 1 . 314 . 1 1 18 GLY O O 13.394 -7.930 -3.780 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 1 . 315 . 1 1 19 VAL C C 15.083 -7.727 -1.407 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 1 . 316 . 1 1 19 VAL CA C 14.277 -9.022 -1.424 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 1 . 317 . 1 1 19 VAL CB C 14.770 -9.981 -0.329 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 1 . 318 . 1 1 19 VAL CG1 C 13.878 -11.228 -0.315 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 1 . 319 . 1 1 19 VAL CG2 C 16.232 -10.396 -0.603 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 1 . 320 . 1 1 19 VAL H H 14.737 -10.563 -2.806 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 1 . 321 . 1 1 19 VAL HA H 13.241 -8.774 -1.232 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 1 . 322 . 1 1 19 VAL HB H 14.708 -9.488 0.631 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 1 . 323 . 1 1 19 VAL HG11 H 14.121 -11.854 -1.162 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 1 . 324 . 1 1 19 VAL HG12 H 12.842 -10.930 -0.373 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 1 . 325 . 1 1 19 VAL HG13 H 14.044 -11.778 0.599 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 1 . 326 . 1 1 19 VAL HG21 H 16.428 -11.362 -0.158 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 1 . 327 . 1 1 19 VAL HG22 H 16.903 -9.669 -0.171 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 1 . 328 . 1 1 19 VAL HG23 H 16.405 -10.451 -1.669 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 1 . 329 . 1 1 19 VAL N N 14.354 -9.665 -2.730 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 1 . 330 . 1 1 19 VAL O O 14.950 -6.907 -2.312 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 1 . 331 . 1 1 20 THR C C 18.166 -6.642 0.056 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 1 . 332 . 1 1 20 THR CA C 16.708 -6.314 -0.252 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 1 . 333 . 1 1 20 THR CB C 16.122 -5.431 0.851 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 1 . 334 . 1 1 20 THR CG2 C 14.669 -5.086 0.500 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 1 . 335 . 1 1 20 THR H H 15.956 -8.213 0.333 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 1 . 336 . 1 1 20 THR HA H 16.672 -5.766 -1.175 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 1 . 337 . 1 1 20 THR HB H 16.697 -4.522 0.933 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 1 . 338 . 1 1 20 THR HG1 H 15.273 -6.114 2.463 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 1 . 339 . 1 1 20 THR HG21 H 14.027 -5.899 0.801 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 1 . 340 . 1 1 20 THR HG22 H 14.574 -4.934 -0.566 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 1 . 341 . 1 1 20 THR HG23 H 14.377 -4.185 1.019 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 1 . 342 . 1 1 20 THR N N 15.901 -7.533 -0.369 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 1 . 343 . 1 1 20 THR O O 18.466 -7.652 0.692 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 1 . 344 . 1 1 20 THR OG1 O 16.156 -6.134 2.086 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 1 . 345 . 1 1 21 ILE C C 21.233 -4.641 -0.285 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 1 . 346 . 1 1 21 ILE CA C 20.500 -5.978 -0.174 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 1 . 347 . 1 1 21 ILE CB C 21.055 -6.972 -1.203 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 1 . 348 . 1 1 21 ILE CD1 C 22.749 -7.848 0.451 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 1 . 349 . 1 1 21 ILE CG1 C 22.546 -7.240 -0.944 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 1 . 350 . 1 1 21 ILE CG2 C 20.888 -6.389 -2.607 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 1 . 351 . 1 1 21 ILE H H 18.772 -4.985 -0.910 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 1 . 352 . 1 1 21 ILE HA H 20.642 -6.377 0.818 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 1 . 353 . 1 1 21 ILE HB H 20.505 -7.899 -1.135 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 1 . 354 . 1 1 21 ILE HD11 H 22.847 -7.057 1.179 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 1 . 355 . 1 1 21 ILE HD12 H 23.647 -8.448 0.453 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 1 . 356 . 1 1 21 ILE HD13 H 21.903 -8.471 0.708 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 1 . 357 . 1 1 21 ILE HG12 H 22.919 -7.927 -1.689 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 1 . 358 . 1 1 21 ILE HG13 H 23.092 -6.314 -1.009 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 1 . 359 . 1 1 21 ILE HG21 H 21.064 -7.161 -3.341 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 1 . 360 . 1 1 21 ILE HG22 H 21.599 -5.588 -2.750 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 1 . 361 . 1 1 21 ILE HG23 H 19.885 -6.005 -2.721 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 1 . 362 . 1 1 21 ILE N N 19.071 -5.776 -0.404 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 1 . 363 . 1 1 21 ILE O O 20.784 -3.736 -1.001 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 1 . 364 . 1 1 22 ARG C C 24.651 -3.557 0.322 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 1 . 365 . 1 1 22 ARG CA C 23.157 -3.279 0.358 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 1 . 366 . 1 1 22 ARG CB C 22.863 -2.326 1.544 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 1 . 367 . 1 1 22 ARG CD C 22.293 -4.082 3.316 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 1 . 368 . 1 1 22 ARG CG C 23.204 -2.909 2.938 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 1 . 369 . 1 1 22 ARG CZ C 19.908 -4.496 3.542 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 1 . 370 . 1 1 22 ARG H H 22.697 -5.274 0.930 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 1 . 371 . 1 1 22 ARG HA H 22.906 -2.761 -0.550 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 1 . 372 . 1 1 22 ARG HB2 H 23.429 -1.421 1.410 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 373 . 1 1 22 ARG HB3 H 21.819 -2.080 1.530 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 374 . 1 1 22 ARG HD2 H 22.448 -4.911 2.667 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 375 . 1 1 22 ARG HD3 H 22.527 -4.387 4.326 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 376 . 1 1 22 ARG HE H 20.688 -2.725 3.027 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 1 . 377 . 1 1 22 ARG HG2 H 24.227 -3.252 2.933 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 378 . 1 1 22 ARG HG3 H 23.099 -2.129 3.678 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 379 . 1 1 22 ARG HH11 H 21.119 -6.050 3.897 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 1 . 380 . 1 1 22 ARG HH12 H 19.425 -6.368 4.065 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 1 . 381 . 1 1 22 ARG HH21 H 18.470 -3.135 3.246 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 1 . 382 . 1 1 22 ARG HH22 H 17.924 -4.716 3.695 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 1 . 383 . 1 1 22 ARG N N 22.373 -4.518 0.406 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 1 . 384 . 1 1 22 ARG NE N 20.898 -3.654 3.268 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 1 . 385 . 1 1 22 ARG NH1 N 20.171 -5.735 3.859 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 1 . 386 . 1 1 22 ARG NH2 N 18.671 -4.084 3.490 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 1 . 387 . 1 1 22 ARG O O 25.141 -4.498 0.946 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 1 . 388 . 1 1 23 GLU C C 27.442 -1.652 -1.239 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 1 . 389 . 1 1 23 GLU CA C 26.821 -2.856 -0.530 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 1 . 390 . 1 1 23 GLU CB C 27.172 -4.135 -1.305 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 1 . 391 . 1 1 23 GLU CD C 25.094 -3.947 -2.720 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 1 . 392 . 1 1 23 GLU CG C 26.613 -4.076 -2.736 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 1 . 393 . 1 1 23 GLU H H 24.911 -1.974 -0.890 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 1 . 394 . 1 1 23 GLU HA H 27.240 -2.928 0.462 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 1 . 395 . 1 1 23 GLU HB2 H 28.247 -4.240 -1.347 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 396 . 1 1 23 GLU HB3 H 26.751 -4.987 -0.795 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 397 . 1 1 23 GLU HG2 H 27.037 -3.228 -3.254 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 398 . 1 1 23 GLU HG3 H 26.885 -4.981 -3.259 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 399 . 1 1 23 GLU N N 25.369 -2.710 -0.417 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 1 . 400 . 1 1 23 GLU O O 26.746 -0.908 -1.925 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 1 . 401 . 1 1 23 GLU OE1 O 24.451 -4.827 -2.176 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 1 . 402 . 1 1 23 GLU OE2 O 24.596 -2.970 -3.254 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 1 . 403 . 1 1 24 LYS C C 28.655 0.863 -1.856 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 1 . 404 . 1 1 24 LYS CA C 29.509 -0.395 -1.709 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 1 . 405 . 1 1 24 LYS CB C 29.988 -0.835 -3.100 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 1 . 406 . 1 1 24 LYS CD C 32.107 -1.906 -2.207 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 1 . 407 . 1 1 24 LYS CE C 32.924 -3.188 -2.245 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 1 . 408 . 1 1 24 LYS CG C 30.838 -2.113 -3.038 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 1 . 409 . 1 1 24 LYS H H 29.250 -2.127 -0.518 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 1 . 410 . 1 1 24 LYS HA H 30.358 -0.147 -1.104 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 1 . 411 . 1 1 24 LYS HB2 H 29.134 -1.016 -3.729 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 1 . 412 . 1 1 24 LYS HB3 H 30.585 -0.047 -3.530 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 1 . 413 . 1 1 24 LYS HD2 H 32.685 -1.091 -2.616 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 1 . 414 . 1 1 24 LYS HD3 H 31.850 -1.694 -1.184 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 1 . 415 . 1 1 24 LYS HE2 H 33.809 -3.068 -1.643 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 1 . 416 . 1 1 24 LYS HE3 H 32.326 -3.995 -1.854 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 1 . 417 . 1 1 24 LYS HG2 H 30.252 -2.904 -2.596 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 1 . 418 . 1 1 24 LYS HG3 H 31.114 -2.400 -4.042 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 1 . 419 . 1 1 24 LYS HZ1 H 33.369 -2.612 -4.195 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 1 . 420 . 1 1 24 LYS HZ2 H 32.597 -4.122 -4.078 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 1 . 421 . 1 1 24 LYS HZ3 H 34.236 -3.967 -3.660 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 1 . 422 . 1 1 24 LYS N N 28.760 -1.488 -1.075 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 1 . 423 . 1 1 24 LYS NZ N 33.311 -3.496 -3.651 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 1 . 424 . 1 1 24 LYS O O 28.902 1.686 -2.736 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 1 . 425 . 1 1 25 NH2 HN1 H 27.172 1.904 -1.065 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 1 . 426 . 1 1 25 NH2 HN2 H 27.491 0.420 -0.318 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 1 . 427 . 1 1 25 NH2 N N 27.687 1.078 -1.017 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 2 . 428 . 1 1 1 ACE C C 11.182 -0.486 0.804 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 2 . 429 . 1 1 1 ACE CH3 C 11.172 -1.885 1.408 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 2 . 430 . 1 1 1 ACE H1 H 10.325 -2.434 1.026 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 2 . 431 . 1 1 1 ACE H2 H 11.096 -1.811 2.484 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 2 . 432 . 1 1 1 ACE H3 H 12.086 -2.397 1.147 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 2 . 433 . 1 1 1 ACE O O 10.147 0.177 0.745 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 2 . 434 . 1 1 2 GLU C C 13.880 1.532 -0.822 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 2 . 435 . 1 1 2 GLU CA C 12.479 1.290 -0.230 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 2 . 436 . 1 1 2 GLU CB C 12.172 2.354 0.834 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 2 . 437 . 1 1 2 GLU CD C 12.861 3.277 3.056 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 2 . 438 . 1 1 2 GLU CG C 13.163 2.226 1.994 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 2 . 439 . 1 1 2 GLU H H 13.143 -0.612 0.432 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 2 . 440 . 1 1 2 GLU HA H 11.751 1.383 -1.022 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 2 . 441 . 1 1 2 GLU HB2 H 12.245 3.338 0.399 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 442 . 1 1 2 GLU HB3 H 11.170 2.208 1.208 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 443 . 1 1 2 GLU HG2 H 13.078 1.241 2.429 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 444 . 1 1 2 GLU HG3 H 14.168 2.370 1.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 445 . 1 1 2 GLU N N 12.356 -0.041 0.359 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 2 . 446 . 1 1 2 GLU O O 14.532 0.612 -1.352 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 2 . 447 . 1 1 2 GLU OE1 O 12.910 4.451 2.731 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 2 . 448 . 1 1 2 GLU OE2 O 12.586 2.892 4.181 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 2 . 449 . 1 1 3 ARG C C 16.417 3.967 -0.223 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 2 . 450 . 1 1 3 ARG CA C 15.618 3.204 -1.282 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 2 . 451 . 1 1 3 ARG CB C 15.382 4.159 -2.462 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 2 . 452 . 1 1 3 ARG CD C 15.232 2.307 -4.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 2 . 453 . 1 1 3 ARG CG C 14.526 3.517 -3.572 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 2 . 454 . 1 1 3 ARG CZ C 14.163 2.414 -6.383 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 2 . 455 . 1 1 3 ARG H H 13.750 3.471 -0.335 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 2 . 456 . 1 1 3 ARG HA H 16.187 2.352 -1.602 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 2 . 457 . 1 1 3 ARG HB2 H 14.879 5.044 -2.101 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 458 . 1 1 3 ARG HB3 H 16.338 4.444 -2.876 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 459 . 1 1 3 ARG HD2 H 16.183 2.622 -4.585 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 460 . 1 1 3 ARG HD3 H 15.388 1.551 -3.440 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 461 . 1 1 3 ARG HE H 14.060 0.833 -5.162 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 2 . 462 . 1 1 3 ARG HG2 H 13.585 3.197 -3.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 463 . 1 1 3 ARG HG3 H 14.337 4.252 -4.336 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 464 . 1 1 3 ARG HH11 H 15.270 4.003 -5.877 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 2 . 465 . 1 1 3 ARG HH12 H 14.472 4.105 -7.411 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 2 . 466 . 1 1 3 ARG HH21 H 13.029 0.963 -7.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 2 . 467 . 1 1 3 ARG HH22 H 13.206 2.384 -8.141 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 2 . 468 . 1 1 3 ARG N N 14.321 2.795 -0.745 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 2 . 469 . 1 1 3 ARG NE N 14.428 1.734 -5.269 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 2 . 470 . 1 1 3 ARG NH1 N 14.675 3.599 -6.572 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 2 . 471 . 1 1 3 ARG NH2 N 13.407 1.879 -7.301 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 2 . 472 . 1 1 3 ARG O O 15.923 4.936 0.354 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 2 . 473 . 1 1 4 PHE C C 19.954 3.675 0.852 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 2 . 474 . 1 1 4 PHE CA C 18.540 4.248 0.949 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 2 . 475 . 1 1 4 PHE CB C 17.975 4.230 2.393 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 2 . 476 . 1 1 4 PHE CD1 C 19.276 6.328 3.051 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 2 . 477 . 1 1 4 PHE CD2 C 19.435 4.369 4.466 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 2 . 478 . 1 1 4 PHE CE1 C 20.164 7.006 3.900 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 2 . 479 . 1 1 4 PHE CE2 C 20.311 5.052 5.317 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 2 . 480 . 1 1 4 PHE CG C 18.916 4.994 3.326 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 2 . 481 . 1 1 4 PHE CZ C 20.685 6.364 5.029 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 2 . 482 . 1 1 4 PHE H H 18.021 2.795 -0.528 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 2 . 483 . 1 1 4 PHE HA H 18.596 5.274 0.623 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 2 . 484 . 1 1 4 PHE HB2 H 17.001 4.694 2.408 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 485 . 1 1 4 PHE HB3 H 17.890 3.202 2.731 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 486 . 1 1 4 PHE HD1 H 18.884 6.832 2.184 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 2 . 487 . 1 1 4 PHE HD2 H 19.133 3.374 4.710 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 488 . 1 1 4 PHE HE1 H 20.438 8.030 3.687 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 2 . 489 . 1 1 4 PHE HE2 H 20.713 4.556 6.188 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 2 . 490 . 1 1 4 PHE HZ H 21.379 6.881 5.678 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 2 . 491 . 1 1 4 PHE N N 17.667 3.557 -0.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 2 . 492 . 1 1 4 PHE O O 20.228 2.895 -0.054 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 2 . 493 . 1 1 5 TYR C C 22.869 4.168 0.287 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 2 . 494 . 1 1 5 TYR CA C 22.267 3.677 1.611 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 2 . 495 . 1 1 5 TYR CB C 22.404 2.139 1.692 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 2 . 496 . 1 1 5 TYR CD1 C 20.796 1.718 3.587 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 2 . 497 . 1 1 5 TYR CD2 C 23.046 0.841 3.757 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 2 . 498 . 1 1 5 TYR CE1 C 20.489 1.151 4.839 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 2 . 499 . 1 1 5 TYR CE2 C 22.743 0.283 5.003 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 2 . 500 . 1 1 5 TYR CG C 22.067 1.568 3.051 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 2 . 501 . 1 1 5 TYR CZ C 21.465 0.440 5.545 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 2 . 502 . 1 1 5 TYR H H 20.637 4.804 2.368 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 2 . 503 . 1 1 5 TYR HA H 22.816 4.121 2.424 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 2 . 504 . 1 1 5 TYR HB2 H 21.756 1.691 0.974 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 505 . 1 1 5 TYR HB3 H 23.400 1.877 1.452 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 506 . 1 1 5 TYR HD1 H 20.057 2.275 3.043 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 2 . 507 . 1 1 5 TYR HD2 H 24.037 0.707 3.330 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 508 . 1 1 5 TYR HE1 H 19.501 1.252 5.258 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 2 . 509 . 1 1 5 TYR HE2 H 23.497 -0.266 5.547 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 2 . 510 . 1 1 5 TYR HH H 21.326 0.547 7.446 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 2 . 511 . 1 1 5 TYR N N 20.876 4.125 1.709 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 2 . 512 . 1 1 5 TYR O O 22.371 3.829 -0.787 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 2 . 513 . 1 1 5 TYR OH O 21.162 -0.115 6.771 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 2 . 514 . 1 1 6 GLU C C 26.129 5.259 -0.806 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 2 . 515 . 1 1 6 GLU CA C 24.607 5.522 -0.834 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 2 . 516 . 1 1 6 GLU CB C 24.411 7.054 -1.012 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 2 . 517 . 1 1 6 GLU CD C 22.198 7.448 0.234 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 2 . 518 . 1 1 6 GLU CG C 22.935 7.504 -1.110 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 2 . 519 . 1 1 6 GLU H H 24.299 5.205 1.245 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 2 . 520 . 1 1 6 GLU HA H 24.200 5.031 -1.706 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 2 . 521 . 1 1 6 GLU HB2 H 24.854 7.556 -0.168 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 522 . 1 1 6 GLU HB3 H 24.930 7.363 -1.908 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 523 . 1 1 6 GLU HG2 H 22.906 8.518 -1.477 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 524 . 1 1 6 GLU HG3 H 22.424 6.865 -1.816 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 525 . 1 1 6 GLU N N 23.945 4.980 0.369 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 2 . 526 . 1 1 6 GLU O O 26.608 4.188 -1.191 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 2 . 527 . 1 1 6 GLU OE1 O 22.097 6.399 0.818 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 2 . 528 . 1 1 6 GLU OE2 O 21.739 8.495 0.660 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 2 . 529 . 1 1 7 LYS C C 28.897 7.258 0.540 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 2 . 530 . 1 1 7 LYS CA C 28.349 6.131 -0.329 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 2 . 531 . 1 1 7 LYS CB C 28.894 6.229 -1.769 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 2 . 532 . 1 1 7 LYS CD C 31.304 6.863 -1.084 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 2 . 533 . 1 1 7 LYS CE C 32.767 6.524 -1.381 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 2 . 534 . 1 1 7 LYS CG C 30.408 5.908 -1.888 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 2 . 535 . 1 1 7 LYS H H 26.483 7.101 -0.095 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 2 . 536 . 1 1 7 LYS HA H 28.618 5.176 0.098 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 2 . 537 . 1 1 7 LYS HB2 H 28.349 5.534 -2.390 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 538 . 1 1 7 LYS HB3 H 28.720 7.229 -2.136 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 539 . 1 1 7 LYS HD2 H 31.101 7.886 -1.358 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 540 . 1 1 7 LYS HD3 H 31.141 6.723 -0.033 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 541 . 1 1 7 LYS HE2 H 33.410 7.183 -0.817 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 2 . 542 . 1 1 7 LYS HE3 H 32.963 5.501 -1.098 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 2 . 543 . 1 1 7 LYS HG2 H 30.577 4.904 -1.536 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 544 . 1 1 7 LYS HG3 H 30.690 5.961 -2.931 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 545 . 1 1 7 LYS HZ1 H 32.901 5.788 -3.324 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 2 . 546 . 1 1 7 LYS HZ2 H 34.008 7.028 -2.974 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 2 . 547 . 1 1 7 LYS HZ3 H 32.370 7.395 -3.230 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 2 . 548 . 1 1 7 LYS N N 26.896 6.260 -0.373 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 2 . 549 . 1 1 7 LYS NZ N 33.031 6.697 -2.837 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 2 . 550 . 1 1 7 LYS O O 28.968 8.411 0.114 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 2 . 551 . 1 1 8 . CAA C 31.302 8.361 4.609 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 2 . 552 . 1 1 8 . CAB C 29.440 6.715 4.754 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 2 . 553 . 1 1 8 . CAE C 29.827 7.957 2.650 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 2 . 554 . 1 1 8 . CAF C 30.522 7.293 3.840 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 2 . 555 . 1 1 8 . HAA H 31.458 8.030 5.635 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 2 . 556 . 1 1 8 . HAB H 30.736 9.294 4.611 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 2 . 557 . 1 1 8 . HAC H 32.268 8.524 4.129 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 2 . 558 . 1 1 8 . HAD H 28.499 7.234 4.569 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 2 . 559 . 1 1 8 . HAE H 29.732 6.848 5.796 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 2 . 560 . 1 1 8 . HAF H 29.319 5.653 4.544 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 2 . 561 . 1 1 8 . HAG H 29.016 8.583 3.021 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 2 . 562 . 1 1 8 . HAH H 30.542 8.577 2.110 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 2 . 563 . 1 1 8 . HAI H 29.209 5.988 2.050 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 2 . 564 . 1 1 8 . HAL H 31.866 6.368 2.465 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 2 . 565 . 1 1 8 . NAC N 29.283 6.937 1.742 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 2 . 566 . 1 1 8 . NAD N 31.435 6.244 3.358 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 2 . 567 . 1 1 9 DPR C C 31.713 5.152 4.037 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 2 . 568 . 1 1 9 DPR CA C 32.682 4.147 3.406 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 2 . 569 . 1 1 9 DPR CB C 33.573 3.476 4.475 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 2 . 570 . 1 1 9 DPR CD C 32.347 1.708 3.308 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 2 . 571 . 1 1 9 DPR CG C 33.619 2.016 4.113 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 2 . 572 . 1 1 9 DPR HA H 33.301 4.644 2.675 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 2 . 573 . 1 1 9 DPR HB2 H 34.571 3.905 4.449 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 574 . 1 1 9 DPR HB3 H 33.148 3.603 5.464 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 575 . 1 1 9 DPR HD2 H 32.568 1.010 2.513 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 576 . 1 1 9 DPR HD3 H 31.573 1.316 3.949 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 577 . 1 1 9 DPR HG2 H 34.498 1.811 3.511 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 578 . 1 1 9 DPR HG3 H 33.637 1.408 5.007 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 579 . 1 1 9 DPR N N 31.944 3.019 2.762 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 2 . 580 . 1 1 9 DPR O O 31.234 4.915 5.146 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 2 . 581 . 1 1 10 VAL C C 31.050 3.249 1.817 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 2 . 582 . 1 1 10 VAL CA C 30.297 2.076 1.170 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 2 . 583 . 1 1 10 VAL CB C 30.859 1.783 -0.229 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 2 . 584 . 1 1 10 VAL CG1 C 32.337 1.368 -0.142 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 2 . 585 . 1 1 10 VAL CG2 C 30.026 0.656 -0.898 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 2 . 586 . 1 1 10 VAL H H 28.593 2.888 0.194 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 2 . 587 . 1 1 10 VAL HA H 30.374 1.181 1.778 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 2 . 588 . 1 1 10 VAL HB H 30.787 2.683 -0.825 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 2 . 589 . 1 1 10 VAL HG11 H 32.407 0.382 0.295 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 2 . 590 . 1 1 10 VAL HG12 H 32.884 2.071 0.464 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 2 . 591 . 1 1 10 VAL HG13 H 32.760 1.347 -1.134 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 2 . 592 . 1 1 10 VAL HG21 H 30.571 -0.275 -0.852 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 2 . 593 . 1 1 10 VAL HG22 H 29.843 0.907 -1.933 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 2 . 594 . 1 1 10 VAL HG23 H 29.069 0.536 -0.390 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 2 . 595 . 1 1 10 VAL N N 28.890 2.433 1.015 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 2 . 596 . 1 1 10 VAL O O 30.809 4.398 1.450 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 2 . 597 . 1 1 11 GLN C C 27.998 2.150 1.948 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 2 . 598 . 1 1 11 GLN CA C 26.581 2.569 1.637 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 2 . 599 . 1 1 11 GLN CB C 25.847 2.869 2.950 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 2 . 600 . 1 1 11 GLN CD C 26.526 5.322 2.955 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 2 . 601 . 1 1 11 GLN CG C 26.511 4.006 3.740 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 2 . 602 . 1 1 11 GLN H H 26.002 0.553 1.228 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 2 . 603 . 1 1 11 GLN HA H 26.597 3.453 1.026 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 2 . 604 . 1 1 11 GLN HB2 H 24.833 3.138 2.737 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 605 . 1 1 11 GLN HB3 H 25.859 1.981 3.561 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 606 . 1 1 11 GLN HE21 H 25.377 6.272 4.267 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 2 . 607 . 1 1 11 GLN HE22 H 25.873 7.197 2.933 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 2 . 608 . 1 1 11 GLN HG2 H 25.959 4.158 4.658 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 609 . 1 1 11 GLN HG3 H 27.523 3.720 3.976 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 610 . 1 1 11 GLN N N 25.894 1.489 0.915 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 2 . 611 . 1 1 11 GLN NE2 N 25.871 6.349 3.424 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 2 . 612 . 1 1 11 GLN O O 28.273 1.583 3.000 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 2 . 613 . 1 1 11 GLN OE1 O 27.140 5.425 1.897 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 2 . 614 . 1 1 12 LYS C C 25.093 1.757 -0.131 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 2 . 615 . 1 1 12 LYS CA C 24.388 0.539 -0.761 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 2 . 616 . 1 1 12 LYS CB C 24.937 0.177 -2.165 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 2 . 617 . 1 1 12 LYS CD C 24.499 2.521 -3.096 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 2 . 618 . 1 1 12 LYS CE C 24.013 3.281 -4.334 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 2 . 619 . 1 1 12 LYS CG C 24.337 1.019 -3.316 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 2 . 620 . 1 1 12 LYS H H 22.484 1.500 -0.669 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 2 . 621 . 1 1 12 LYS HA H 24.629 -0.289 -0.117 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 2 . 622 . 1 1 12 LYS HB2 H 26.005 0.323 -2.163 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 623 . 1 1 12 LYS HB3 H 24.733 -0.868 -2.357 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 624 . 1 1 12 LYS HD2 H 23.876 2.807 -2.274 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 625 . 1 1 12 LYS HD3 H 25.530 2.764 -2.892 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 626 . 1 1 12 LYS HE2 H 22.975 3.046 -4.514 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 2 . 627 . 1 1 12 LYS HE3 H 24.117 4.343 -4.166 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 2 . 628 . 1 1 12 LYS HG2 H 24.829 0.746 -4.236 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 629 . 1 1 12 LYS HG3 H 23.285 0.788 -3.403 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 630 . 1 1 12 LYS HZ1 H 24.333 2.132 -6.042 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 2 . 631 . 1 1 12 LYS HZ2 H 25.755 2.544 -5.207 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 2 . 632 . 1 1 12 LYS HZ3 H 24.948 3.709 -6.143 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 2 . 633 . 1 1 12 LYS N N 22.921 0.620 -0.754 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 2 . 634 . 1 1 12 LYS NZ N 24.824 2.885 -5.520 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 2 . 635 . 1 1 12 LYS O O 24.892 2.903 -0.501 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 2 . 636 . 1 1 13 PHE C C 22.163 -0.478 -0.839 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 2 . 637 . 1 1 13 PHE CA C 20.643 -0.265 -0.796 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 2 . 638 . 1 1 13 PHE CB C 20.109 -0.801 0.545 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 2 . 639 . 1 1 13 PHE CD1 C 17.781 -1.457 -0.219 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 2 . 640 . 1 1 13 PHE CD2 C 18.005 0.212 1.523 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 2 . 641 . 1 1 13 PHE CE1 C 16.389 -1.329 -0.155 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 2 . 642 . 1 1 13 PHE CE2 C 16.617 0.332 1.588 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 2 . 643 . 1 1 13 PHE CG C 18.596 -0.685 0.623 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 2 . 644 . 1 1 13 PHE CZ C 15.810 -0.436 0.749 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 2 . 645 . 1 1 13 PHE H H 20.306 -1.847 -2.164 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 2 . 646 . 1 1 13 PHE HA H 20.439 0.788 -0.857 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 2 . 647 . 1 1 13 PHE HB2 H 20.390 -1.832 0.657 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 648 . 1 1 13 PHE HB3 H 20.547 -0.228 1.343 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 649 . 1 1 13 PHE HD1 H 18.222 -2.162 -0.906 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 2 . 650 . 1 1 13 PHE HD2 H 18.621 0.801 2.172 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 651 . 1 1 13 PHE HE1 H 15.762 -1.923 -0.805 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 2 . 652 . 1 1 13 PHE HE2 H 16.167 1.022 2.286 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 2 . 653 . 1 1 13 PHE HZ H 14.742 -0.337 0.798 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 2 . 654 . 1 1 13 PHE N N 19.998 -0.948 -1.909 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 2 . 655 . 1 1 13 PHE O O 22.640 -1.608 -0.928 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 2 . 656 . 1 1 14 ILE C C 18.971 -0.384 -2.566 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 2 . 657 . 1 1 14 ILE CA C 18.367 -1.229 -3.687 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 2 . 658 . 1 1 14 ILE CB C 18.647 -0.597 -5.065 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 2 . 659 . 1 1 14 ILE CD1 C 18.176 1.336 -6.571 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 2 . 660 . 1 1 14 ILE CG1 C 17.871 0.708 -5.209 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 2 . 661 . 1 1 14 ILE CG2 C 18.248 -1.556 -6.189 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 2 . 662 . 1 1 14 ILE H H 16.412 -0.808 -2.923 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 2 . 663 . 1 1 14 ILE HA H 18.853 -2.196 -3.663 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 2 . 664 . 1 1 14 ILE HB H 19.705 -0.390 -5.143 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 2 . 665 . 1 1 14 ILE HD11 H 17.683 0.770 -7.347 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 2 . 666 . 1 1 14 ILE HD12 H 19.243 1.328 -6.740 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 2 . 667 . 1 1 14 ILE HD13 H 17.817 2.356 -6.585 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 2 . 668 . 1 1 14 ILE HG12 H 16.816 0.495 -5.140 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 2 . 669 . 1 1 14 ILE HG13 H 18.159 1.394 -4.428 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 2 . 670 . 1 1 14 ILE HG21 H 18.637 -2.540 -5.979 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 2 . 671 . 1 1 14 ILE HG22 H 18.660 -1.200 -7.122 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 2 . 672 . 1 1 14 ILE HG23 H 17.173 -1.598 -6.267 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 2 . 673 . 1 1 14 ILE N N 16.925 -1.446 -3.478 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 2 . 674 . 1 1 14 ILE O O 18.509 0.726 -2.262 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 2 . 675 . 1 1 15 ARG C C 16.304 -2.501 -4.008 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 2 . 676 . 1 1 15 ARG CA C 14.816 -2.640 -3.706 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 2 . 677 . 1 1 15 ARG CB C 14.633 -3.944 -2.905 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 2 . 678 . 1 1 15 ARG CD C 12.784 -3.159 -1.396 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 2 . 679 . 1 1 15 ARG CG C 13.203 -4.209 -2.426 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 2 . 680 . 1 1 15 ARG CZ C 11.157 -4.545 -0.234 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 2 . 681 . 1 1 15 ARG H H 14.488 -2.957 -5.775 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 2 . 682 . 1 1 15 ARG HA H 14.506 -1.800 -3.114 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 2 . 683 . 1 1 15 ARG HB2 H 14.932 -4.768 -3.519 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 684 . 1 1 15 ARG HB3 H 15.270 -3.898 -2.044 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 685 . 1 1 15 ARG HD2 H 13.468 -3.185 -0.563 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 686 . 1 1 15 ARG HD3 H 12.798 -2.179 -1.833 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 687 . 1 1 15 ARG HE H 10.743 -2.822 -1.146 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 2 . 688 . 1 1 15 ARG HG2 H 12.526 -4.188 -3.262 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 689 . 1 1 15 ARG HG3 H 13.164 -5.185 -1.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 690 . 1 1 15 ARG HH11 H 13.053 -5.169 -0.111 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 2 . 691 . 1 1 15 ARG HH12 H 11.879 -6.192 0.646 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 2 . 692 . 1 1 15 ARG HH21 H 9.196 -4.152 -0.152 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 2 . 693 . 1 1 15 ARG HH22 H 9.699 -5.616 0.624 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 2 . 694 . 1 1 15 ARG N N 14.041 -2.677 -4.950 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 2 . 695 . 1 1 15 ARG NE N 11.448 -3.442 -0.923 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 2 . 696 . 1 1 15 ARG NH1 N 12.104 -5.366 0.129 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 2 . 697 . 1 1 15 ARG NH2 N 9.921 -4.791 0.106 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 2 . 698 . 1 1 15 ARG O O 16.883 -3.346 -4.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 2 . 699 . 1 1 16 VAL C C 12.754 -2.359 -4.997 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 2 . 700 . 1 1 16 VAL CA C 12.094 -2.468 -6.365 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 2 . 701 . 1 1 16 VAL CB C 10.955 -1.423 -6.470 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 2 . 702 . 1 1 16 VAL CG1 C 10.352 -1.420 -7.882 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 2 . 703 . 1 1 16 VAL CG2 C 9.843 -1.741 -5.437 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 2 . 704 . 1 1 16 VAL H H 11.469 -4.423 -5.784 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 2 . 705 . 1 1 16 VAL HA H 12.834 -2.251 -7.122 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 2 . 706 . 1 1 16 VAL HB H 11.362 -0.441 -6.264 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 2 . 707 . 1 1 16 VAL HG11 H 9.728 -2.290 -8.016 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 2 . 708 . 1 1 16 VAL HG12 H 11.143 -1.420 -8.615 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 2 . 709 . 1 1 16 VAL HG13 H 9.752 -0.531 -8.010 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 2 . 710 . 1 1 16 VAL HG21 H 10.025 -1.186 -4.527 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 2 . 711 . 1 1 16 VAL HG22 H 9.837 -2.798 -5.216 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 2 . 712 . 1 1 16 VAL HG23 H 8.878 -1.455 -5.834 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 2 . 713 . 1 1 16 VAL N N 11.591 -3.836 -6.570 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 2 . 714 . 1 1 16 VAL O O 12.112 -2.007 -4.013 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 2 . 715 . 1 1 17 . C11 C 10.798 -6.203 -10.732 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 2 . 716 . 1 1 17 . C12 C 9.742 -5.342 -10.059 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 2 . 717 . 1 1 17 . C13 C 9.524 -5.816 -8.630 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 2 . 718 . 1 1 17 . C14 C 10.825 -5.756 -7.845 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 2 . 719 . 1 1 17 . C15 C 11.329 -4.313 -7.763 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 2 . 720 . 1 1 17 . C7 C 13.166 -6.581 -7.730 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 2 . 721 . 1 1 17 . C8 C 11.863 -6.631 -8.530 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 2 . 722 . 1 1 17 . C9 C 12.100 -6.139 -9.949 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 2 . 723 . 1 1 17 . H111 H 10.975 -5.842 -11.745 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 2 . 724 . 1 1 17 . H112 H 10.451 -7.236 -10.774 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 2 . 725 . 1 1 17 . H12 H 8.809 -5.434 -10.616 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 2 . 726 . 1 1 17 . H14 H 10.648 -6.127 -6.835 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 2 . 727 . 1 1 17 . H8 H 11.505 -7.660 -8.564 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 2 . 728 . 1 1 17 . H9 H 12.467 -5.113 -9.920 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 2 . 729 . 1 1 17 . HAG H 10.057 -4.299 -10.060 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 2 . 730 . 1 1 17 . HAI H 12.841 -6.773 -10.436 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 2 . 731 . 1 1 17 . HAK H 8.781 -5.182 -8.146 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 2 . 732 . 1 1 17 . HAL H 9.160 -6.843 -8.652 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 2 . 733 . 1 1 17 . O1 O 13.210 -5.977 -6.659 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 2 . 734 . 1 1 17 . OAB O 11.496 -3.650 -8.786 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 2 . 735 . 1 1 18 GLY C C 15.264 -7.626 -6.053 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 2 . 736 . 1 1 18 GLY CA C 15.475 -7.210 -7.505 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 2 . 737 . 1 1 18 GLY H H 14.125 -7.681 -9.070 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 2 . 738 . 1 1 18 GLY HA2 H 16.149 -7.907 -7.984 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 2 . 739 . 1 1 18 GLY HA3 H 15.906 -6.221 -7.531 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 2 . 740 . 1 1 18 GLY N N 14.204 -7.204 -8.218 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 2 . 741 . 1 1 18 GLY O O 14.237 -8.214 -5.714 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 2 . 742 . 1 1 19 VAL C C 16.673 -6.553 -2.894 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 2 . 743 . 1 1 19 VAL CA C 16.131 -7.672 -3.779 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 2 . 744 . 1 1 19 VAL CB C 16.881 -8.978 -3.514 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 2 . 745 . 1 1 19 VAL CG1 C 16.242 -10.103 -4.331 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 2 . 746 . 1 1 19 VAL CG2 C 18.346 -8.830 -3.938 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 2 . 747 . 1 1 19 VAL H H 17.030 -6.851 -5.517 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 2 . 748 . 1 1 19 VAL HA H 15.080 -7.812 -3.535 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 2 . 749 . 1 1 19 VAL HB H 16.828 -9.217 -2.463 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 2 . 750 . 1 1 19 VAL HG11 H 16.456 -9.952 -5.380 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 2 . 751 . 1 1 19 VAL HG12 H 15.174 -10.097 -4.178 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 2 . 752 . 1 1 19 VAL HG13 H 16.646 -11.052 -4.014 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 2 . 753 . 1 1 19 VAL HG21 H 18.768 -7.943 -3.489 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 2 . 754 . 1 1 19 VAL HG22 H 18.402 -8.747 -5.013 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 2 . 755 . 1 1 19 VAL HG23 H 18.904 -9.696 -3.615 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 2 . 756 . 1 1 19 VAL N N 16.233 -7.319 -5.195 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 2 . 757 . 1 1 19 VAL O O 17.141 -5.529 -3.390 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 2 . 758 . 1 1 20 THR C C 18.330 -6.152 0.046 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 2 . 759 . 1 1 20 THR CA C 17.026 -5.719 -0.624 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 2 . 760 . 1 1 20 THR CB C 15.929 -5.535 0.442 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 2 . 761 . 1 1 20 THR CG2 C 16.280 -4.398 1.418 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 2 . 762 . 1 1 20 THR H H 16.173 -7.566 -1.234 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 2 . 763 . 1 1 20 THR HA H 17.187 -4.781 -1.133 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 2 . 764 . 1 1 20 THR HB H 15.801 -6.457 0.989 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 2 . 765 . 1 1 20 THR HG1 H 14.332 -5.995 -0.563 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 2 . 766 . 1 1 20 THR HG21 H 15.966 -4.668 2.417 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 2 . 767 . 1 1 20 THR HG22 H 15.755 -3.503 1.115 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 2 . 768 . 1 1 20 THR HG23 H 17.342 -4.207 1.412 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 2 . 769 . 1 1 20 THR N N 16.575 -6.740 -1.574 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 2 . 770 . 1 1 20 THR O O 18.343 -7.032 0.906 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 2 . 771 . 1 1 20 THR OG1 O 14.715 -5.192 -0.204 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 2 . 772 . 1 1 21 ILE C C 21.515 -4.495 0.414 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 2 . 773 . 1 1 21 ILE CA C 20.754 -5.798 0.161 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 2 . 774 . 1 1 21 ILE CB C 21.528 -6.662 -0.837 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 2 . 775 . 1 1 21 ILE CD1 C 21.493 -8.831 -2.106 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 2 . 776 . 1 1 21 ILE CG1 C 20.775 -7.984 -1.052 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 2 . 777 . 1 1 21 ILE CG2 C 22.923 -6.934 -0.279 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 2 . 778 . 1 1 21 ILE H H 19.342 -4.827 -1.058 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 2 . 779 . 1 1 21 ILE HA H 20.663 -6.337 1.094 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 2 . 780 . 1 1 21 ILE HB H 21.612 -6.135 -1.777 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 2 . 781 . 1 1 21 ILE HD11 H 21.628 -8.250 -3.005 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 2 . 782 . 1 1 21 ILE HD12 H 20.902 -9.707 -2.328 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 2 . 783 . 1 1 21 ILE HD13 H 22.458 -9.135 -1.727 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 2 . 784 . 1 1 21 ILE HG12 H 20.737 -8.529 -0.120 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 2 . 785 . 1 1 21 ILE HG13 H 19.772 -7.776 -1.386 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 2 . 786 . 1 1 21 ILE HG21 H 23.488 -6.016 -0.274 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 2 . 787 . 1 1 21 ILE HG22 H 23.428 -7.661 -0.895 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 2 . 788 . 1 1 21 ILE HG23 H 22.838 -7.309 0.728 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 2 . 789 . 1 1 21 ILE N N 19.426 -5.513 -0.370 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 2 . 790 . 1 1 21 ILE O O 21.459 -3.574 -0.406 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 2 . 791 . 1 1 22 ARG C C 24.509 -3.509 1.681 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 2 . 792 . 1 1 22 ARG CA C 23.024 -3.242 1.895 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 2 . 793 . 1 1 22 ARG CB C 22.845 -2.827 3.374 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 2 . 794 . 1 1 22 ARG CD C 20.354 -3.398 3.544 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 2 . 795 . 1 1 22 ARG CG C 21.430 -2.331 3.716 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 2 . 796 . 1 1 22 ARG CZ C 17.963 -3.553 3.910 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 2 . 797 . 1 1 22 ARG H H 22.248 -5.206 2.146 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 2 . 798 . 1 1 22 ARG HA H 22.725 -2.415 1.267 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 2 . 799 . 1 1 22 ARG HB2 H 23.065 -3.675 4.000 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 800 . 1 1 22 ARG HB3 H 23.549 -2.040 3.600 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 801 . 1 1 22 ARG HD2 H 20.292 -3.695 2.516 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 802 . 1 1 22 ARG HD3 H 20.581 -4.254 4.161 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 803 . 1 1 22 ARG HE H 19.031 -1.882 4.198 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 2 . 804 . 1 1 22 ARG HG2 H 21.422 -2.010 4.744 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 805 . 1 1 22 ARG HG3 H 21.196 -1.490 3.092 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 806 . 1 1 22 ARG HH11 H 18.904 -5.254 3.432 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 2 . 807 . 1 1 22 ARG HH12 H 17.183 -5.370 3.599 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 2 . 808 . 1 1 22 ARG HH21 H 16.777 -2.021 4.419 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 2 . 809 . 1 1 22 ARG HH22 H 15.977 -3.537 4.162 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 2 . 810 . 1 1 22 ARG N N 22.237 -4.433 1.543 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 2 . 811 . 1 1 22 ARG NE N 19.075 -2.831 3.941 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 2 . 812 . 1 1 22 ARG NH1 N 18.022 -4.825 3.626 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 2 . 813 . 1 1 22 ARG NH2 N 16.816 -2.994 4.186 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 2 . 814 . 1 1 22 ARG O O 25.044 -4.515 2.147 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 2 . 815 . 1 1 23 GLU C C 27.397 -2.283 1.932 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 2 . 816 . 1 1 23 GLU CA C 26.600 -2.731 0.710 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 2 . 817 . 1 1 23 GLU CB C 27.002 -1.911 -0.519 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 2 . 818 . 1 1 23 GLU CD C 28.859 -3.534 -1.179 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 2 . 819 . 1 1 23 GLU CG C 28.496 -2.084 -0.839 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 2 . 820 . 1 1 23 GLU H H 24.695 -1.814 0.632 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 2 . 821 . 1 1 23 GLU HA H 26.802 -3.760 0.525 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 2 . 822 . 1 1 23 GLU HB2 H 26.417 -2.230 -1.369 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 823 . 1 1 23 GLU HB3 H 26.811 -0.870 -0.324 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 824 . 1 1 23 GLU HG2 H 28.743 -1.459 -1.680 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 825 . 1 1 23 GLU HG3 H 29.069 -1.771 0.019 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 826 . 1 1 23 GLU N N 25.173 -2.593 0.975 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 2 . 827 . 1 1 23 GLU O O 26.951 -1.422 2.691 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 2 . 828 . 1 1 23 GLU OE1 O 28.721 -4.392 -0.325 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 2 . 829 . 1 1 23 GLU OE2 O 29.276 -3.761 -2.303 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 2 . 830 . 1 1 24 LYS C C 30.040 -1.194 3.091 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 2 . 831 . 1 1 24 LYS CA C 29.412 -2.565 3.259 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 2 . 832 . 1 1 24 LYS CB C 30.528 -3.612 3.444 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 2 . 833 . 1 1 24 LYS CD C 29.088 -5.571 2.682 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 2 . 834 . 1 1 24 LYS CE C 28.688 -6.991 3.053 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 2 . 835 . 1 1 24 LYS CG C 29.994 -5.015 3.783 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 2 . 836 . 1 1 24 LYS H H 28.867 -3.556 1.484 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 2 . 837 . 1 1 24 LYS HA H 28.800 -2.554 4.147 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 2 . 838 . 1 1 24 LYS HB2 H 31.092 -3.682 2.529 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 2 . 839 . 1 1 24 LYS HB3 H 31.183 -3.289 4.236 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 2 . 840 . 1 1 24 LYS HD2 H 28.194 -4.980 2.609 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 2 . 841 . 1 1 24 LYS HD3 H 29.610 -5.577 1.739 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 2 . 842 . 1 1 24 LYS HE2 H 28.186 -6.974 4.005 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 2 . 843 . 1 1 24 LYS HE3 H 28.026 -7.384 2.299 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 2 . 844 . 1 1 24 LYS HG2 H 30.831 -5.683 3.919 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 2 . 845 . 1 1 24 LYS HG3 H 29.435 -4.963 4.706 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 2 . 846 . 1 1 24 LYS HZ1 H 30.225 -7.883 4.139 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 2 . 847 . 1 1 24 LYS HZ2 H 30.657 -7.449 2.554 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 2 . 848 . 1 1 24 LYS HZ3 H 29.677 -8.809 2.827 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 2 . 849 . 1 1 24 LYS N N 28.567 -2.884 2.121 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 2 . 850 . 1 1 24 LYS NZ N 29.904 -7.847 3.151 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 2 . 851 . 1 1 24 LYS O O 30.950 -1.016 2.281 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 2 . 852 . 1 1 25 NH2 HN1 H 29.983 0.688 3.711 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 2 . 853 . 1 1 25 NH2 HN2 H 28.876 -0.354 4.459 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 2 . 854 . 1 1 25 NH2 N N 29.600 -0.205 3.815 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 3 . 855 . 1 1 1 ACE C C 13.078 1.646 0.355 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 3 . 856 . 1 1 1 ACE CH3 C 12.586 0.604 1.354 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 3 . 857 . 1 1 1 ACE H1 H 11.512 0.674 1.446 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 3 . 858 . 1 1 1 ACE H2 H 13.043 0.785 2.316 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 3 . 859 . 1 1 1 ACE H3 H 12.855 -0.382 1.006 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 3 . 860 . 1 1 1 ACE O O 13.912 2.489 0.683 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 3 . 861 . 1 1 2 GLU C C 14.450 2.470 -2.155 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 3 . 862 . 1 1 2 GLU CA C 12.942 2.515 -1.913 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 3 . 863 . 1 1 2 GLU CB C 12.514 3.935 -1.529 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 3 . 864 . 1 1 2 GLU CD C 10.553 5.384 -0.958 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 3 . 865 . 1 1 2 GLU CG C 10.996 3.975 -1.340 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 3 . 866 . 1 1 2 GLU H H 11.897 0.880 -1.066 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 3 . 867 . 1 1 2 GLU HA H 12.438 2.239 -2.827 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 3 . 868 . 1 1 2 GLU HB2 H 13.001 4.223 -0.609 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 869 . 1 1 2 GLU HB3 H 12.795 4.621 -2.315 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 870 . 1 1 2 GLU HG2 H 10.513 3.686 -2.262 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 871 . 1 1 2 GLU HG3 H 10.715 3.288 -0.556 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 872 . 1 1 2 GLU N N 12.556 1.577 -0.865 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 3 . 873 . 1 1 2 GLU O O 14.989 1.443 -2.580 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 3 . 874 . 1 1 2 GLU OE1 O 11.013 5.873 0.061 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 3 . 875 . 1 1 2 GLU OE2 O 9.760 5.953 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 3 . 876 . 1 1 3 ARG C C 17.286 3.986 -0.777 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 3 . 877 . 1 1 3 ARG CA C 16.583 3.691 -2.100 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 3 . 878 . 1 1 3 ARG CB C 16.993 4.810 -3.090 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 3 . 879 . 1 1 3 ARG CD C 14.924 4.771 -4.615 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 3 . 880 . 1 1 3 ARG CG C 16.452 4.639 -4.530 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 3 . 881 . 1 1 3 ARG CZ C 13.209 4.789 -6.334 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 3 . 882 . 1 1 3 ARG H H 14.643 4.387 -1.577 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 3 . 883 . 1 1 3 ARG HA H 16.948 2.739 -2.468 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 3 . 884 . 1 1 3 ARG HB2 H 16.629 5.751 -2.705 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 885 . 1 1 3 ARG HB3 H 18.070 4.855 -3.125 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 886 . 1 1 3 ARG HD2 H 14.459 3.972 -4.090 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 887 . 1 1 3 ARG HD3 H 14.618 5.713 -4.187 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 888 . 1 1 3 ARG HE H 15.167 4.612 -6.714 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 3 . 889 . 1 1 3 ARG HG2 H 16.900 5.388 -5.164 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 890 . 1 1 3 ARG HG3 H 16.739 3.662 -4.894 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 891 . 1 1 3 ARG HH11 H 12.577 4.940 -4.440 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 3 . 892 . 1 1 3 ARG HH12 H 11.336 4.970 -5.649 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 3 . 893 . 1 1 3 ARG HH21 H 13.546 4.653 -8.302 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 3 . 894 . 1 1 3 ARG HH22 H 11.885 4.808 -7.835 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 3 . 895 . 1 1 3 ARG N N 15.129 3.600 -1.899 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 3 . 896 . 1 1 3 ARG NE N 14.495 4.708 -6.006 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 3 . 897 . 1 1 3 ARG NH1 N 12.304 4.909 -5.401 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 3 . 898 . 1 1 3 ARG NH2 N 12.852 4.747 -7.588 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 3 . 899 . 1 1 3 ARG O O 16.662 4.446 0.179 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 3 . 900 . 1 1 4 PHE C C 20.845 4.263 0.106 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 3 . 901 . 1 1 4 PHE CA C 19.379 3.952 0.485 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 3 . 902 . 1 1 4 PHE CB C 19.291 2.675 1.347 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 3 . 903 . 1 1 4 PHE CD1 C 20.577 3.951 3.175 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 3 . 904 . 1 1 4 PHE CD2 C 19.940 1.643 3.539 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 3 . 905 . 1 1 4 PHE CE1 C 21.163 3.981 4.448 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 3 . 906 . 1 1 4 PHE CE2 C 20.525 1.677 4.808 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 3 . 907 . 1 1 4 PHE CG C 19.963 2.777 2.713 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 3 . 908 . 1 1 4 PHE CZ C 21.137 2.846 5.262 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 3 . 909 . 1 1 4 PHE H H 19.039 3.343 -1.526 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 3 . 910 . 1 1 4 PHE HA H 18.954 4.786 1.026 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 3 . 911 . 1 1 4 PHE HB2 H 18.252 2.433 1.498 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 912 . 1 1 4 PHE HB3 H 19.752 1.873 0.803 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 913 . 1 1 4 PHE HD1 H 20.604 4.827 2.566 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 3 . 914 . 1 1 4 PHE HD2 H 19.469 0.735 3.191 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 915 . 1 1 4 PHE HE1 H 21.632 4.882 4.803 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 3 . 916 . 1 1 4 PHE HE2 H 20.503 0.800 5.437 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 3 . 917 . 1 1 4 PHE HZ H 21.588 2.873 6.243 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 3 . 918 . 1 1 4 PHE N N 18.595 3.714 -0.731 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 3 . 919 . 1 1 4 PHE O O 21.648 3.348 -0.072 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 3 . 920 . 1 1 5 TYR C C 23.216 6.892 0.680 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 3 . 921 . 1 1 5 TYR CA C 22.564 5.986 -0.368 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 3 . 922 . 1 1 5 TYR CB C 22.606 6.722 -1.714 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 3 . 923 . 1 1 5 TYR CD1 C 21.062 5.150 -2.976 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 3 . 924 . 1 1 5 TYR CD2 C 23.296 5.557 -3.840 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 3 . 925 . 1 1 5 TYR CE1 C 20.808 4.297 -4.061 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 3 . 926 . 1 1 5 TYR CE2 C 23.039 4.707 -4.916 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 3 . 927 . 1 1 5 TYR CG C 22.306 5.784 -2.864 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 3 . 928 . 1 1 5 TYR CZ C 21.795 4.080 -5.030 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 3 . 929 . 1 1 5 TYR H H 20.504 6.250 0.143 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 3 . 930 . 1 1 5 TYR HA H 23.173 5.107 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 3 . 931 . 1 1 5 TYR HB2 H 21.867 7.510 -1.705 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 932 . 1 1 5 TYR HB3 H 23.585 7.162 -1.851 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 933 . 1 1 5 TYR HD1 H 20.300 5.320 -2.231 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 3 . 934 . 1 1 5 TYR HD2 H 24.265 6.034 -3.751 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 935 . 1 1 5 TYR HE1 H 19.853 3.806 -4.151 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 3 . 936 . 1 1 5 TYR HE2 H 23.797 4.541 -5.665 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 3 . 937 . 1 1 5 TYR HH H 20.636 2.939 -6.030 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 3 . 938 . 1 1 5 TYR N N 21.186 5.564 -0.012 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 3 . 939 . 1 1 5 TYR O O 23.321 8.102 0.480 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 3 . 940 . 1 1 5 TYR OH O 21.544 3.245 -6.099 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 3 . 941 . 1 1 6 GLU C C 25.845 6.491 2.972 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 3 . 942 . 1 1 6 GLU CA C 24.435 7.047 2.812 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 3 . 943 . 1 1 6 GLU CB C 23.767 7.038 4.212 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 3 . 944 . 1 1 6 GLU CD C 21.301 7.097 3.475 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 3 . 945 . 1 1 6 GLU CG C 22.404 7.769 4.281 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 3 . 946 . 1 1 6 GLU H H 23.648 5.308 1.835 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 3 . 947 . 1 1 6 GLU HA H 24.526 8.078 2.493 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 3 . 948 . 1 1 6 GLU HB2 H 23.623 6.016 4.515 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 949 . 1 1 6 GLU HB3 H 24.444 7.507 4.914 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 950 . 1 1 6 GLU HG2 H 22.090 7.818 5.311 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 951 . 1 1 6 GLU HG3 H 22.536 8.778 3.915 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 952 . 1 1 6 GLU N N 23.714 6.291 1.764 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 3 . 953 . 1 1 6 GLU O O 26.184 5.443 2.421 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 3 . 954 . 1 1 6 GLU OE1 O 21.432 6.987 2.283 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 3 . 955 . 1 1 6 GLU OE2 O 20.321 6.699 4.083 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 3 . 956 . 1 1 7 LYS C C 28.190 6.305 5.432 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 3 . 957 . 1 1 7 LYS CA C 28.048 6.786 3.991 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 3 . 958 . 1 1 7 LYS CB C 28.998 7.961 3.736 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 3 . 959 . 1 1 7 LYS CD C 29.498 10.376 4.396 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 3 . 960 . 1 1 7 LYS CE C 30.983 10.091 4.667 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 3 . 961 . 1 1 7 LYS CG C 28.618 9.135 4.654 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 3 . 962 . 1 1 7 LYS H H 26.337 8.027 4.155 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 3 . 963 . 1 1 7 LYS HA H 28.310 5.975 3.324 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 3 . 964 . 1 1 7 LYS HB2 H 30.000 7.637 3.948 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 965 . 1 1 7 LYS HB3 H 28.926 8.270 2.704 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 966 . 1 1 7 LYS HD2 H 29.382 10.681 3.366 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 967 . 1 1 7 LYS HD3 H 29.169 11.179 5.039 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 968 . 1 1 7 LYS HE2 H 31.353 9.337 3.995 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 3 . 969 . 1 1 7 LYS HE3 H 31.546 11.000 4.516 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 3 . 970 . 1 1 7 LYS HG2 H 27.584 9.396 4.483 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 971 . 1 1 7 LYS HG3 H 28.736 8.832 5.684 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 972 . 1 1 7 LYS HZ1 H 30.744 8.699 6.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 3 . 973 . 1 1 7 LYS HZ2 H 30.672 10.316 6.714 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 3 . 974 . 1 1 7 LYS HZ3 H 32.166 9.615 6.313 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 3 . 975 . 1 1 7 LYS N N 26.667 7.203 3.741 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 3 . 976 . 1 1 7 LYS NZ N 31.154 9.646 6.080 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 3 . 977 . 1 1 7 LYS O O 27.607 6.884 6.349 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 3 . 978 . 1 1 8 . CAA C 31.173 6.030 7.437 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 3 . 979 . 1 1 8 . CAB C 30.667 4.007 8.789 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 3 . 980 . 1 1 8 . CAE C 29.094 4.742 7.011 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 3 . 981 . 1 1 8 . CAF C 30.570 4.625 7.393 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 3 . 982 . 1 1 8 . HAA H 30.381 6.761 7.598 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 3 . 983 . 1 1 8 . HAB H 31.673 6.241 6.491 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 3 . 984 . 1 1 8 . HAC H 31.895 6.092 8.251 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 3 . 985 . 1 1 8 . HAD H 30.317 2.976 8.757 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 3 . 986 . 1 1 8 . HAE H 30.052 4.578 9.484 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 3 . 987 . 1 1 8 . HAF H 31.704 4.029 9.123 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 3 . 988 . 1 1 8 . HAG H 28.631 3.758 7.082 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 3 . 989 . 1 1 8 . HAH H 28.596 5.420 7.704 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 3 . 990 . 1 1 8 . HAI H 29.389 4.798 4.877 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 3 . 991 . 1 1 8 . HAL H 32.163 4.126 6.051 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 3 . 992 . 1 1 8 . NAC N 28.937 5.256 5.642 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 3 . 993 . 1 1 8 . NAD N 31.298 3.793 6.425 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 3 . 994 . 1 1 9 DPR C C 30.853 2.622 6.050 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 3 . 995 . 1 1 9 DPR CA C 31.713 1.845 5.051 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 3 . 996 . 1 1 9 DPR CB C 31.738 0.350 5.393 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 3 . 997 . 1 1 9 DPR CD C 31.300 0.577 2.990 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 3 . 998 . 1 1 9 DPR CG C 31.883 -0.355 4.073 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 3 . 999 . 1 1 9 DPR HA H 32.720 2.230 5.056 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 3 . 1000 . 1 1 9 DPR HB2 H 32.581 0.129 6.041 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1001 . 1 1 9 DPR HB3 H 30.814 0.055 5.877 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1002 . 1 1 9 DPR HD2 H 31.983 0.654 2.151 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1003 . 1 1 9 DPR HD3 H 30.334 0.222 2.656 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 1004 . 1 1 9 DPR HG2 H 32.931 -0.549 3.873 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1005 . 1 1 9 DPR HG3 H 31.336 -1.288 4.085 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1006 . 1 1 9 DPR N N 31.159 1.885 3.665 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 3 . 1007 . 1 1 9 DPR O O 29.808 2.136 6.478 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 3 . 1008 . 1 1 10 VAL C C 30.625 2.983 3.159 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 3 . 1009 . 1 1 10 VAL CA C 30.081 2.966 1.719 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 3 . 1010 . 1 1 10 VAL CB C 30.661 4.152 0.945 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 3 . 1011 . 1 1 10 VAL CG1 C 32.185 4.042 0.896 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1012 . 1 1 10 VAL CG2 C 30.090 4.163 -0.480 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1013 . 1 1 10 VAL H H 28.212 3.969 1.723 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 3 . 1014 . 1 1 10 VAL HA H 30.372 2.051 1.217 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 3 . 1015 . 1 1 10 VAL HB H 30.388 5.069 1.447 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 3 . 1016 . 1 1 10 VAL HG11 H 32.594 4.271 1.868 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 3 . 1017 . 1 1 10 VAL HG12 H 32.573 4.740 0.168 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 3 . 1018 . 1 1 10 VAL HG13 H 32.464 3.037 0.614 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 3 . 1019 . 1 1 10 VAL HG21 H 29.009 4.124 -0.439 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 3 . 1020 . 1 1 10 VAL HG22 H 30.459 3.307 -1.024 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 3 . 1021 . 1 1 10 VAL HG23 H 30.396 5.068 -0.985 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 3 . 1022 . 1 1 10 VAL N N 28.627 3.079 1.710 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 3 . 1023 . 1 1 10 VAL O O 30.566 4.019 3.822 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 3 . 1024 . 1 1 11 GLN C C 27.856 2.005 1.643 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 3 . 1025 . 1 1 11 GLN CA C 26.361 2.267 1.590 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 3 . 1026 . 1 1 11 GLN CB C 25.698 1.841 2.911 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 3 . 1027 . 1 1 11 GLN CD C 25.392 -0.581 2.190 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 3 . 1028 . 1 1 11 GLN CG C 25.943 0.359 3.255 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 3 . 1029 . 1 1 11 GLN H H 26.130 0.684 0.183 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 3 . 1030 . 1 1 11 GLN HA H 26.215 3.330 1.460 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 3 . 1031 . 1 1 11 GLN HB2 H 26.092 2.451 3.710 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1032 . 1 1 11 GLN HB3 H 24.634 2.012 2.836 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1033 . 1 1 11 GLN HE21 H 24.064 -1.388 3.407 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 3 . 1034 . 1 1 11 GLN HE22 H 24.065 -1.996 1.824 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 3 . 1035 . 1 1 11 GLN HG2 H 27.001 0.189 3.361 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1036 . 1 1 11 GLN HG3 H 25.462 0.140 4.197 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1037 . 1 1 11 GLN N N 25.785 1.571 0.437 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 3 . 1038 . 1 1 11 GLN NE2 N 24.429 -1.387 2.498 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 3 . 1039 . 1 1 11 GLN O O 28.310 0.863 1.580 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 3 . 1040 . 1 1 11 GLN OE1 O 25.831 -0.576 1.051 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 3 . 1041 . 1 1 12 LYS C C 24.809 2.117 -0.282 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 3 . 1042 . 1 1 12 LYS CA C 24.292 1.293 -1.471 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 3 . 1043 . 1 1 12 LYS CB C 24.559 2.032 -2.794 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 3 . 1044 . 1 1 12 LYS CD C 26.369 3.045 -4.297 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 3 . 1045 . 1 1 12 LYS CE C 25.875 2.357 -5.585 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 3 . 1046 . 1 1 12 LYS CG C 26.065 2.221 -3.022 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 3 . 1047 . 1 1 12 LYS H H 22.295 1.905 -1.206 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 3 . 1048 . 1 1 12 LYS HA H 24.790 0.334 -1.490 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 3 . 1049 . 1 1 12 LYS HB2 H 24.146 1.438 -3.585 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1050 . 1 1 12 LYS HB3 H 24.071 2.996 -2.775 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1051 . 1 1 12 LYS HD2 H 25.888 4.007 -4.211 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1052 . 1 1 12 LYS HD3 H 27.437 3.194 -4.366 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 1053 . 1 1 12 LYS HE2 H 26.187 2.939 -6.438 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 3 . 1054 . 1 1 12 LYS HE3 H 26.314 1.372 -5.650 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 3 . 1055 . 1 1 12 LYS HG2 H 26.499 2.718 -2.169 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1056 . 1 1 12 LYS HG3 H 26.518 1.249 -3.136 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1057 . 1 1 12 LYS HZ1 H 23.990 2.818 -4.837 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 3 . 1058 . 1 1 12 LYS HZ2 H 24.125 1.240 -5.451 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 3 . 1059 . 1 1 12 LYS HZ3 H 24.024 2.564 -6.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 3 . 1060 . 1 1 12 LYS N N 22.854 1.112 -1.343 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 3 . 1061 . 1 1 12 LYS NZ N 24.392 2.236 -5.597 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 3 . 1062 . 1 1 12 LYS O O 24.335 3.222 -0.016 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 3 . 1063 . 1 1 13 PHE C C 22.255 -0.079 -1.414 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 3 . 1064 . 1 1 13 PHE CA C 20.740 -0.010 -1.267 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 3 . 1065 . 1 1 13 PHE CB C 20.310 -0.725 0.026 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 3 . 1066 . 1 1 13 PHE CD1 C 17.995 0.369 -0.359 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 3 . 1067 . 1 1 13 PHE CD2 C 18.300 -1.178 1.485 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1068 . 1 1 13 PHE CE1 C 16.671 0.553 0.020 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 3 . 1069 . 1 1 13 PHE CE2 C 16.963 -0.981 1.856 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 3 . 1070 . 1 1 13 PHE CG C 18.831 -0.509 0.373 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 3 . 1071 . 1 1 13 PHE CZ C 16.154 -0.113 1.116 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 3 . 1072 . 1 1 13 PHE H H 20.041 -1.571 -2.538 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 3 . 1073 . 1 1 13 PHE HA H 20.482 1.032 -1.185 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 3 . 1074 . 1 1 13 PHE HB2 H 20.485 -1.783 -0.088 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1075 . 1 1 13 PHE HB3 H 20.917 -0.360 0.842 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1076 . 1 1 13 PHE HD1 H 18.355 0.904 -1.202 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 3 . 1077 . 1 1 13 PHE HD2 H 18.923 -1.852 2.055 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1078 . 1 1 13 PHE HE1 H 16.044 1.221 -0.540 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 3 . 1079 . 1 1 13 PHE HE2 H 16.558 -1.496 2.714 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 3 . 1080 . 1 1 13 PHE HZ H 15.130 0.048 1.391 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 3 . 1081 . 1 1 13 PHE N N 20.046 -0.592 -2.428 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 3 . 1082 . 1 1 13 PHE O O 22.850 -1.147 -1.590 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 3 . 1083 . 1 1 14 ILE C C 19.406 0.171 -3.326 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 3 . 1084 . 1 1 14 ILE CA C 18.703 -0.554 -4.474 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 3 . 1085 . 1 1 14 ILE CB C 18.702 0.343 -5.717 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 3 . 1086 . 1 1 14 ILE CD1 C 18.654 -1.698 -7.241 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 3 . 1087 . 1 1 14 ILE CG1 C 17.974 -0.364 -6.877 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1088 . 1 1 14 ILE CG2 C 20.141 0.672 -6.129 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1089 . 1 1 14 ILE H H 16.739 -0.149 -3.750 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 3 . 1090 . 1 1 14 ILE HA H 19.240 -1.466 -4.695 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 3 . 1091 . 1 1 14 ILE HB H 18.185 1.263 -5.485 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 3 . 1092 . 1 1 14 ILE HD11 H 18.561 -1.863 -8.305 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 3 . 1093 . 1 1 14 ILE HD12 H 18.167 -2.503 -6.715 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 3 . 1094 . 1 1 14 ILE HD13 H 19.699 -1.678 -6.974 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 3 . 1095 . 1 1 14 ILE HG12 H 16.952 -0.558 -6.586 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 3 . 1096 . 1 1 14 ILE HG13 H 17.978 0.282 -7.743 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 3 . 1097 . 1 1 14 ILE HG21 H 20.686 -0.245 -6.295 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 3 . 1098 . 1 1 14 ILE HG22 H 20.620 1.239 -5.347 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 3 . 1099 . 1 1 14 ILE HG23 H 20.130 1.253 -7.039 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 3 . 1100 . 1 1 14 ILE N N 17.320 -0.869 -4.086 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 3 . 1101 . 1 1 14 ILE O O 19.359 1.402 -3.240 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 3 . 1102 . 1 1 15 ARG C C 16.836 -2.110 -4.158 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 3 . 1103 . 1 1 15 ARG CA C 15.392 -2.305 -3.704 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 3 . 1104 . 1 1 15 ARG CB C 15.284 -1.867 -2.235 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 3 . 1105 . 1 1 15 ARG CD C 12.812 -1.292 -2.385 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 3 . 1106 . 1 1 15 ARG CG C 13.882 -2.109 -1.659 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 3 . 1107 . 1 1 15 ARG CZ C 10.420 -0.937 -2.175 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 3 . 1108 . 1 1 15 ARG H H 15.631 -4.399 -3.471 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 3 . 1109 . 1 1 15 ARG HA H 14.752 -1.693 -4.317 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 3 . 1110 . 1 1 15 ARG HB2 H 15.998 -2.414 -1.648 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1111 . 1 1 15 ARG HB3 H 15.508 -0.814 -2.167 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1112 . 1 1 15 ARG HD2 H 13.059 -0.244 -2.338 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1113 . 1 1 15 ARG HD3 H 12.745 -1.599 -3.412 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 1114 . 1 1 15 ARG HE H 11.492 -2.123 -0.967 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 3 . 1115 . 1 1 15 ARG HG2 H 13.643 -3.158 -1.749 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1116 . 1 1 15 ARG HG3 H 13.882 -1.839 -0.612 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1117 . 1 1 15 ARG HH11 H 11.335 0.043 -3.663 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 3 . 1118 . 1 1 15 ARG HH12 H 9.628 0.306 -3.529 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 3 . 1119 . 1 1 15 ARG HH21 H 9.252 -1.780 -0.786 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 3 . 1120 . 1 1 15 ARG HH22 H 8.449 -0.724 -1.901 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 3 . 1121 . 1 1 15 ARG N N 15.030 -3.720 -3.835 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 3 . 1122 . 1 1 15 ARG NE N 11.532 -1.522 -1.741 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 3 . 1123 . 1 1 15 ARG NH1 N 10.464 -0.133 -3.202 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 3 . 1124 . 1 1 15 ARG NH2 N 9.285 -1.165 -1.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 3 . 1125 . 1 1 15 ARG O O 17.505 -3.068 -4.547 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 3 . 1126 . 1 1 16 VAL C C 13.909 -4.106 -4.446 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 3 . 1127 . 1 1 16 VAL CA C 13.663 -5.611 -4.515 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 3 . 1128 . 1 1 16 VAL CB C 13.961 -6.078 -5.950 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 3 . 1129 . 1 1 16 VAL CG1 C 13.711 -7.596 -6.093 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1130 . 1 1 16 VAL CG2 C 13.058 -5.305 -6.923 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1131 . 1 1 16 VAL H H 11.577 -5.713 -4.821 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 3 . 1132 . 1 1 16 VAL HA H 14.332 -6.115 -3.831 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 3 . 1133 . 1 1 16 VAL HB H 14.996 -5.864 -6.182 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 3 . 1134 . 1 1 16 VAL HG11 H 13.350 -7.819 -7.088 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 3 . 1135 . 1 1 16 VAL HG12 H 12.978 -7.915 -5.371 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 3 . 1136 . 1 1 16 VAL HG13 H 14.634 -8.132 -5.926 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 3 . 1137 . 1 1 16 VAL HG21 H 13.441 -4.303 -7.050 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 3 . 1138 . 1 1 16 VAL HG22 H 12.054 -5.260 -6.529 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 3 . 1139 . 1 1 16 VAL HG23 H 13.047 -5.808 -7.879 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 3 . 1140 . 1 1 16 VAL N N 12.264 -5.908 -4.172 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 3 . 1141 . 1 1 16 VAL O O 13.106 -3.316 -4.941 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 3 . 1142 . 1 1 17 . C11 C 9.121 -5.906 -5.269 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 3 . 1143 . 1 1 17 . C12 C 9.649 -4.870 -4.289 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 3 . 1144 . 1 1 17 . C13 C 9.611 -5.431 -2.876 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 3 . 1145 . 1 1 17 . C14 C 10.426 -6.711 -2.774 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 3 . 1146 . 1 1 17 . C15 C 11.912 -6.440 -3.030 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 3 . 1147 . 1 1 17 . C7 C 10.696 -9.017 -3.639 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 3 . 1148 . 1 1 17 . C8 C 9.875 -7.731 -3.759 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 3 . 1149 . 1 1 17 . C9 C 9.936 -7.186 -5.179 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 3 . 1150 . 1 1 17 . H111 H 9.186 -5.515 -6.284 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 3 . 1151 . 1 1 17 . H112 H 8.078 -6.126 -5.035 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 3 . 1152 . 1 1 17 . H12 H 9.009 -3.988 -4.341 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 3 . 1153 . 1 1 17 . H14 H 10.320 -7.106 -1.764 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 3 . 1154 . 1 1 17 . H8 H 8.837 -7.949 -3.508 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 3 . 1155 . 1 1 17 . H9 H 10.973 -6.995 -5.454 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 3 . 1156 . 1 1 17 . HAG H 10.666 -4.583 -4.554 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 3 . 1157 . 1 1 17 . HAI H 9.516 -7.923 -5.865 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 3 . 1158 . 1 1 17 . HAK H 10.016 -4.693 -2.185 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 3 . 1159 . 1 1 17 . HAL H 8.576 -5.642 -2.610 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 3 . 1160 . 1 1 17 . O1 O 10.789 -9.587 -2.554 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 3 . 1161 . 1 1 17 . OAB O 12.741 -6.725 -2.166 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 3 . 1162 . 1 1 18 GLY C C 13.143 -10.500 -3.500 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 3 . 1163 . 1 1 18 GLY CA C 12.145 -10.648 -4.643 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 3 . 1164 . 1 1 18 GLY H H 11.240 -8.957 -5.547 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 3 . 1165 . 1 1 18 GLY HA2 H 11.522 -11.514 -4.472 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 3 . 1166 . 1 1 18 GLY HA3 H 12.681 -10.765 -5.571 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 3 . 1167 . 1 1 18 GLY N N 11.314 -9.454 -4.705 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 3 . 1168 . 1 1 18 GLY O O 13.045 -11.186 -2.484 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 3 . 1169 . 1 1 19 VAL C C 15.926 -8.090 -2.968 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 3 . 1170 . 1 1 19 VAL CA C 15.063 -9.301 -2.622 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 3 . 1171 . 1 1 19 VAL CB C 15.952 -10.527 -2.392 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 3 . 1172 . 1 1 19 VAL CG1 C 16.685 -10.877 -3.688 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1173 . 1 1 19 VAL CG2 C 16.976 -10.216 -1.296 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1174 . 1 1 19 VAL H H 14.088 -9.031 -4.482 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 3 . 1175 . 1 1 19 VAL HA H 14.526 -9.078 -1.715 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 3 . 1176 . 1 1 19 VAL HB H 15.342 -11.364 -2.089 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 3 . 1177 . 1 1 19 VAL HG11 H 15.972 -10.961 -4.495 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 3 . 1178 . 1 1 19 VAL HG12 H 17.203 -11.816 -3.566 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 3 . 1179 . 1 1 19 VAL HG13 H 17.400 -10.099 -3.920 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 3 . 1180 . 1 1 19 VAL HG21 H 16.484 -9.718 -0.474 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 3 . 1181 . 1 1 19 VAL HG22 H 17.749 -9.576 -1.695 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 3 . 1182 . 1 1 19 VAL HG23 H 17.418 -11.138 -0.946 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 3 . 1183 . 1 1 19 VAL N N 14.080 -9.567 -3.663 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 3 . 1184 . 1 1 19 VAL O O 16.028 -7.696 -4.128 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 3 . 1185 . 1 1 20 THR C C 18.815 -6.580 -1.614 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 3 . 1186 . 1 1 20 THR CA C 17.406 -6.327 -2.134 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 3 . 1187 . 1 1 20 THR CB C 16.813 -5.119 -1.401 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 3 . 1188 . 1 1 20 THR CG2 C 16.681 -5.416 0.095 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1189 . 1 1 20 THR H H 16.430 -7.867 -1.044 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 3 . 1190 . 1 1 20 THR HA H 17.467 -6.089 -3.187 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 3 . 1191 . 1 1 20 THR HB H 15.838 -4.898 -1.803 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 3 . 1192 . 1 1 20 THR HG1 H 18.452 -4.133 -1.050 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1193 . 1 1 20 THR HG21 H 17.654 -5.624 0.511 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 3 . 1194 . 1 1 20 THR HG22 H 16.035 -6.268 0.238 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 3 . 1195 . 1 1 20 THR HG23 H 16.253 -4.556 0.593 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 3 . 1196 . 1 1 20 THR N N 16.550 -7.502 -1.945 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 3 . 1197 . 1 1 20 THR O O 19.031 -7.436 -0.755 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 3 . 1198 . 1 1 20 THR OG1 O 17.669 -4.003 -1.591 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1199 . 1 1 21 ILE C C 21.623 -4.714 -0.991 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 3 . 1200 . 1 1 21 ILE CA C 21.172 -5.950 -1.766 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 3 . 1201 . 1 1 21 ILE CB C 22.022 -6.118 -3.024 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 3 . 1202 . 1 1 21 ILE CD1 C 22.350 -7.535 -5.072 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 3 . 1203 . 1 1 21 ILE CG1 C 21.564 -7.379 -3.768 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 3 . 1204 . 1 1 21 ILE CG2 C 23.492 -6.254 -2.624 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1205 . 1 1 21 ILE H H 19.534 -5.167 -2.833 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 3 . 1206 . 1 1 21 ILE HA H 21.301 -6.822 -1.139 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 3 . 1207 . 1 1 21 ILE HB H 21.900 -5.255 -3.661 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 3 . 1208 . 1 1 21 ILE HD11 H 22.299 -6.615 -5.635 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 3 . 1209 . 1 1 21 ILE HD12 H 21.924 -8.338 -5.654 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 3 . 1210 . 1 1 21 ILE HD13 H 23.381 -7.762 -4.845 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 3 . 1211 . 1 1 21 ILE HG12 H 21.731 -8.244 -3.142 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 3 . 1212 . 1 1 21 ILE HG13 H 20.511 -7.297 -3.994 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 3 . 1213 . 1 1 21 ILE HG21 H 23.831 -5.330 -2.184 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 3 . 1214 . 1 1 21 ILE HG22 H 24.088 -6.473 -3.496 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 3 . 1215 . 1 1 21 ILE HG23 H 23.594 -7.053 -1.907 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 3 . 1216 . 1 1 21 ILE N N 19.773 -5.824 -2.153 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 3 . 1217 . 1 1 21 ILE O O 21.465 -3.578 -1.454 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 3 . 1218 . 1 1 22 ARG C C 24.177 -3.980 1.239 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 3 . 1219 . 1 1 22 ARG CA C 22.655 -3.883 1.068 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 3 . 1220 . 1 1 22 ARG CB C 21.947 -4.065 2.418 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 3 . 1221 . 1 1 22 ARG CD C 21.625 -3.201 4.728 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 3 . 1222 . 1 1 22 ARG CG C 22.397 -3.014 3.423 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 3 . 1223 . 1 1 22 ARG CZ C 19.325 -3.132 5.500 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 3 . 1224 . 1 1 22 ARG H H 22.260 -5.877 0.506 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 3 . 1225 . 1 1 22 ARG HA H 22.397 -2.917 0.657 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 3 . 1226 . 1 1 22 ARG HB2 H 20.880 -3.979 2.273 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1227 . 1 1 22 ARG HB3 H 22.173 -5.047 2.807 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1228 . 1 1 22 ARG HD2 H 21.793 -4.202 5.096 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1229 . 1 1 22 ARG HD3 H 21.978 -2.488 5.457 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 1230 . 1 1 22 ARG HE H 19.876 -2.782 3.608 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 3 . 1231 . 1 1 22 ARG HG2 H 23.450 -3.142 3.615 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1232 . 1 1 22 ARG HG3 H 22.207 -2.028 3.029 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1233 . 1 1 22 ARG HH11 H 20.719 -3.557 6.872 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 3 . 1234 . 1 1 22 ARG HH12 H 19.087 -3.521 7.449 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 3 . 1235 . 1 1 22 ARG HH21 H 17.731 -2.733 4.357 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 3 . 1236 . 1 1 22 ARG HH22 H 17.395 -3.055 6.025 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 3 . 1237 . 1 1 22 ARG N N 22.177 -4.951 0.198 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 3 . 1238 . 1 1 22 ARG NE N 20.198 -3.006 4.505 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 3 . 1239 . 1 1 22 ARG NH1 N 19.743 -3.426 6.701 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 3 . 1240 . 1 1 22 ARG NH2 N 18.050 -2.960 5.277 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 3 . 1241 . 1 1 22 ARG O O 24.662 -4.584 2.195 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 3 . 1242 . 1 1 23 GLU C C 26.999 -2.272 -0.505 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 3 . 1243 . 1 1 23 GLU CA C 26.403 -3.407 0.350 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 3 . 1244 . 1 1 23 GLU CB C 26.963 -4.746 -0.179 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 3 . 1245 . 1 1 23 GLU CD C 27.086 -7.226 0.103 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 3 . 1246 . 1 1 23 GLU CG C 26.446 -5.945 0.628 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 3 . 1247 . 1 1 23 GLU H H 24.481 -2.908 -0.442 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 3 . 1248 . 1 1 23 GLU HA H 26.720 -3.273 1.372 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 3 . 1249 . 1 1 23 GLU HB2 H 26.674 -4.867 -1.211 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1250 . 1 1 23 GLU HB3 H 28.038 -4.726 -0.115 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1251 . 1 1 23 GLU HG2 H 26.688 -5.817 1.671 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1252 . 1 1 23 GLU HG3 H 25.380 -6.028 0.510 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1253 . 1 1 23 GLU N N 24.927 -3.378 0.299 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 3 . 1254 . 1 1 23 GLU O O 26.280 -1.634 -1.273 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 3 . 1255 . 1 1 23 GLU OE1 O 28.301 -7.317 0.145 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 3 . 1256 . 1 1 23 GLU OE2 O 26.351 -8.096 -0.333 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 3 . 1257 . 1 1 24 LYS C C 28.316 0.365 -0.959 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 3 . 1258 . 1 1 24 LYS CA C 28.996 -0.978 -1.137 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 3 . 1259 . 1 1 24 LYS CB C 29.050 -1.316 -2.639 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 3 . 1260 . 1 1 24 LYS CD C 29.550 -3.763 -2.194 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 3 . 1261 . 1 1 24 LYS CE C 30.406 -4.929 -2.669 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 3 . 1262 . 1 1 24 LYS CG C 29.966 -2.509 -2.953 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 3 . 1263 . 1 1 24 LYS H H 28.841 -2.559 0.266 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 3 . 1264 . 1 1 24 LYS HA H 30.009 -0.895 -0.774 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 3 . 1265 . 1 1 24 LYS HB2 H 28.056 -1.559 -2.978 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 3 . 1266 . 1 1 24 LYS HB3 H 29.403 -0.453 -3.182 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 3 . 1267 . 1 1 24 LYS HD2 H 29.731 -3.615 -1.144 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 3 . 1268 . 1 1 24 LYS HD3 H 28.508 -3.977 -2.369 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 3 . 1269 . 1 1 24 LYS HE2 H 30.110 -5.828 -2.150 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 3 . 1270 . 1 1 24 LYS HE3 H 30.262 -5.059 -3.730 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 3 . 1271 . 1 1 24 LYS HG2 H 29.929 -2.712 -4.012 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 3 . 1272 . 1 1 24 LYS HG3 H 30.980 -2.252 -2.681 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 3 . 1273 . 1 1 24 LYS HZ1 H 32.238 -4.079 -3.173 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 3 . 1274 . 1 1 24 LYS HZ2 H 32.365 -5.538 -2.312 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 3 . 1275 . 1 1 24 LYS HZ3 H 31.926 -4.108 -1.507 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 3 . 1276 . 1 1 24 LYS N N 28.318 -2.029 -0.366 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 3 . 1277 . 1 1 24 LYS NZ N 31.843 -4.642 -2.395 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 3 . 1278 . 1 1 24 LYS O O 27.115 0.480 -1.131 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 3 . 1279 . 1 1 25 NH2 HN1 H 28.601 2.278 -0.526 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 3 . 1280 . 1 1 25 NH2 HN2 H 29.991 1.310 -0.496 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 3 . 1281 . 1 1 25 NH2 N N 29.029 1.404 -0.636 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 4 . 1282 . 1 1 1 ACE C C 12.499 -0.709 0.553 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 4 . 1283 . 1 1 1 ACE CH3 C 12.216 -2.042 1.242 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 4 . 1284 . 1 1 1 ACE H1 H 11.155 -2.136 1.420 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 4 . 1285 . 1 1 1 ACE H2 H 12.744 -2.079 2.184 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 4 . 1286 . 1 1 1 ACE H3 H 12.550 -2.852 0.610 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 4 . 1287 . 1 1 1 ACE O O 12.404 -0.599 -0.668 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 4 . 1288 . 1 1 2 GLU C C 14.505 1.651 0.124 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 4 . 1289 . 1 1 2 GLU CA C 13.137 1.621 0.810 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 4 . 1290 . 1 1 2 GLU CB C 13.087 2.669 1.927 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 4 . 1291 . 1 1 2 GLU CD C 14.062 3.365 4.121 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 4 . 1292 . 1 1 2 GLU CG C 14.110 2.323 3.010 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 4 . 1293 . 1 1 2 GLU H H 12.902 0.149 2.315 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 4 . 1294 . 1 1 2 GLU HA H 12.383 1.867 0.078 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 4 . 1295 . 1 1 2 GLU HB2 H 13.313 3.642 1.517 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1296 . 1 1 2 GLU HB3 H 12.098 2.682 2.361 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1297 . 1 1 2 GLU HG2 H 13.880 1.351 3.421 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1298 . 1 1 2 GLU HG3 H 15.099 2.304 2.578 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1299 . 1 1 2 GLU N N 12.844 0.298 1.348 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 4 . 1300 . 1 1 2 GLU O O 15.084 0.603 -0.195 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 4 . 1301 . 1 1 2 GLU OE1 O 14.299 4.525 3.828 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1302 . 1 1 2 GLU OE2 O 13.788 2.987 5.248 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1303 . 1 1 3 ARG C C 17.333 3.590 0.176 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 4 . 1304 . 1 1 3 ARG CA C 16.293 3.043 -0.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 4 . 1305 . 1 1 3 ARG CB C 16.215 4.077 -1.947 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 4 . 1306 . 1 1 3 ARG CD C 13.747 3.771 -2.556 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 4 . 1307 . 1 1 3 ARG CG C 15.199 3.739 -3.062 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 4 . 1308 . 1 1 3 ARG CZ C 12.788 2.451 -4.358 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 4 . 1309 . 1 1 3 ARG H H 14.489 3.659 0.130 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 4 . 1310 . 1 1 3 ARG HA H 16.634 2.098 -1.197 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 4 . 1311 . 1 1 3 ARG HB2 H 15.945 5.033 -1.525 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1312 . 1 1 3 ARG HB3 H 17.196 4.167 -2.390 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1313 . 1 1 3 ARG HD2 H 13.585 2.976 -1.859 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1314 . 1 1 3 ARG HD3 H 13.549 4.719 -2.078 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1315 . 1 1 3 ARG HE H 12.244 4.326 -3.941 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 4 . 1316 . 1 1 3 ARG HG2 H 15.304 4.456 -3.862 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1317 . 1 1 3 ARG HG3 H 15.417 2.754 -3.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1318 . 1 1 3 ARG HH11 H 14.064 1.496 -3.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 4 . 1319 . 1 1 3 ARG HH12 H 13.467 0.574 -4.489 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 4 . 1320 . 1 1 3 ARG HH21 H 11.457 3.126 -5.692 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 4 . 1321 . 1 1 3 ARG HH22 H 11.993 1.495 -5.927 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 4 . 1322 . 1 1 3 ARG N N 15.005 2.868 -0.128 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 4 . 1323 . 1 1 3 ARG NE N 12.824 3.584 -3.671 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 4 . 1324 . 1 1 3 ARG NH1 N 13.495 1.427 -3.968 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 4 . 1325 . 1 1 3 ARG NH2 N 12.019 2.349 -5.408 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 4 . 1326 . 1 1 3 ARG O O 17.008 4.398 1.045 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 4 . 1327 . 1 1 4 PHE C C 20.944 3.786 -0.034 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 4 . 1328 . 1 1 4 PHE CA C 19.678 3.722 0.831 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 4 . 1329 . 1 1 4 PHE CB C 19.883 2.830 2.067 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 4 . 1330 . 1 1 4 PHE CD1 C 21.535 4.660 2.881 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1331 . 1 1 4 PHE CD2 C 21.170 2.671 4.227 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1332 . 1 1 4 PHE CE1 C 22.426 5.140 3.845 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1333 . 1 1 4 PHE CE2 C 22.063 3.164 5.188 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1334 . 1 1 4 PHE CG C 20.896 3.408 3.066 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 4 . 1335 . 1 1 4 PHE CZ C 22.690 4.396 4.996 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 4 . 1336 . 1 1 4 PHE H H 18.809 2.589 -0.745 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 4 . 1337 . 1 1 4 PHE HA H 19.412 4.722 1.147 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 4 . 1338 . 1 1 4 PHE HB2 H 18.936 2.716 2.569 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1339 . 1 1 4 PHE HB3 H 20.226 1.857 1.745 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1340 . 1 1 4 PHE HD1 H 21.353 5.255 2.010 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1341 . 1 1 4 PHE HD2 H 20.690 1.716 4.381 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1342 . 1 1 4 PHE HE1 H 22.908 6.095 3.701 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1343 . 1 1 4 PHE HE2 H 22.266 2.590 6.080 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1344 . 1 1 4 PHE HZ H 23.377 4.774 5.738 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 4 . 1345 . 1 1 4 PHE N N 18.596 3.200 -0.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 4 . 1346 . 1 1 4 PHE O O 21.493 2.760 -0.435 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 4 . 1347 . 1 1 5 TYR C C 23.862 5.015 -0.551 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 4 . 1348 . 1 1 5 TYR CA C 22.510 5.247 -1.229 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 4 . 1349 . 1 1 5 TYR CB C 22.457 6.695 -1.723 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 4 . 1350 . 1 1 5 TYR CD1 C 23.784 6.314 -3.843 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1351 . 1 1 5 TYR CD2 C 24.580 7.960 -2.253 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1352 . 1 1 5 TYR CE1 C 24.868 6.608 -4.683 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1353 . 1 1 5 TYR CE2 C 25.665 8.247 -3.089 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1354 . 1 1 5 TYR CG C 23.638 6.993 -2.627 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 4 . 1355 . 1 1 5 TYR CZ C 25.806 7.573 -4.306 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 4 . 1356 . 1 1 5 TYR H H 20.844 5.777 -0.034 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 4 . 1357 . 1 1 5 TYR HA H 22.438 4.598 -2.086 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 4 . 1358 . 1 1 5 TYR HB2 H 21.541 6.844 -2.277 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1359 . 1 1 5 TYR HB3 H 22.470 7.362 -0.876 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1360 . 1 1 5 TYR HD1 H 23.066 5.565 -4.133 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1361 . 1 1 5 TYR HD2 H 24.475 8.479 -1.314 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1362 . 1 1 5 TYR HE1 H 24.978 6.091 -5.624 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1363 . 1 1 5 TYR HE2 H 26.389 8.993 -2.797 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1364 . 1 1 5 TYR HH H 26.533 8.315 -5.907 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 4 . 1365 . 1 1 5 TYR N N 21.356 5.007 -0.358 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 4 . 1366 . 1 1 5 TYR O O 23.974 4.942 0.673 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 4 . 1367 . 1 1 5 TYR OH O 26.873 7.859 -5.133 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 4 . 1368 . 1 1 6 GLU C C 26.770 5.746 0.010 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 4 . 1369 . 1 1 6 GLU CA C 26.274 4.720 -1.023 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 4 . 1370 . 1 1 6 GLU CB C 27.175 4.862 -2.268 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 4 . 1371 . 1 1 6 GLU CD C 25.509 3.720 -3.870 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 4 . 1372 . 1 1 6 GLU CG C 26.940 3.762 -3.327 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 4 . 1373 . 1 1 6 GLU H H 24.676 4.984 -2.356 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 4 . 1374 . 1 1 6 GLU HA H 26.397 3.729 -0.632 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 4 . 1375 . 1 1 6 GLU HB2 H 26.987 5.821 -2.724 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1376 . 1 1 6 GLU HB3 H 28.209 4.827 -1.954 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1377 . 1 1 6 GLU HG2 H 27.609 3.936 -4.155 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1378 . 1 1 6 GLU HG3 H 27.180 2.813 -2.896 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1379 . 1 1 6 GLU N N 24.878 4.919 -1.409 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 4 . 1380 . 1 1 6 GLU O O 27.971 5.942 0.131 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 4 . 1381 . 1 1 6 GLU OE1 O 24.597 3.485 -3.100 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1382 . 1 1 6 GLU OE2 O 25.355 3.892 -5.065 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1383 . 1 1 7 LYS C C 26.238 6.911 3.159 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 4 . 1384 . 1 1 7 LYS CA C 26.331 7.420 1.726 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 4 . 1385 . 1 1 7 LYS CB C 25.505 8.705 1.561 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 4 . 1386 . 1 1 7 LYS CD C 23.143 9.653 1.486 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 4 . 1387 . 1 1 7 LYS CE C 23.482 10.797 2.453 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 4 . 1388 . 1 1 7 LYS CG C 24.010 8.403 1.748 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 4 . 1389 . 1 1 7 LYS H H 24.928 6.247 0.633 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 4 . 1390 . 1 1 7 LYS HA H 27.366 7.670 1.530 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 4 . 1391 . 1 1 7 LYS HB2 H 25.830 9.408 2.306 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1392 . 1 1 7 LYS HB3 H 25.671 9.118 0.578 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1393 . 1 1 7 LYS HD2 H 23.311 9.991 0.473 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1394 . 1 1 7 LYS HD3 H 22.102 9.389 1.600 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1395 . 1 1 7 LYS HE2 H 24.495 11.124 2.310 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1396 . 1 1 7 LYS HE3 H 22.816 11.626 2.259 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 4 . 1397 . 1 1 7 LYS HG2 H 23.719 7.620 1.068 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1398 . 1 1 7 LYS HG3 H 23.839 8.073 2.759 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1399 . 1 1 7 LYS HZ1 H 23.038 11.150 4.456 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 4 . 1400 . 1 1 7 LYS HZ2 H 24.159 9.898 4.204 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 4 . 1401 . 1 1 7 LYS HZ3 H 22.510 9.641 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 4 . 1402 . 1 1 7 LYS N N 25.881 6.411 0.750 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 4 . 1403 . 1 1 7 LYS NZ N 23.283 10.336 3.855 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 4 . 1404 . 1 1 7 LYS O O 25.200 6.446 3.620 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 4 . 1405 . 1 1 8 . CAA C 28.749 8.484 5.928 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 4 . 1406 . 1 1 8 . CAB C 28.719 6.449 7.353 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 4 . 1407 . 1 1 8 . CAE C 27.388 6.523 5.249 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 4 . 1408 . 1 1 8 . CAF C 28.699 6.954 5.908 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 4 . 1409 . 1 1 8 . HAA H 28.806 8.859 4.905 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 4 . 1410 . 1 1 8 . HAB H 29.627 8.812 6.484 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 4 . 1411 . 1 1 8 . HAC H 27.850 8.871 6.406 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 4 . 1412 . 1 1 8 . HAD H 28.190 5.497 7.412 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 4 . 1413 . 1 1 8 . HAE H 28.233 7.178 8.001 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 4 . 1414 . 1 1 8 . HAF H 29.752 6.312 7.673 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 4 . 1415 . 1 1 8 . HAG H 27.323 5.436 5.271 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 4 . 1416 . 1 1 8 . HAH H 26.547 6.946 5.798 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 4 . 1417 . 1 1 8 . HAI H 28.166 7.358 3.430 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 4 . 1418 . 1 1 8 . HAL H 30.291 7.014 4.479 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 4 . 1419 . 1 1 8 . NAC N 27.340 6.987 3.854 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 4 . 1420 . 1 1 8 . NAD N 29.842 6.424 5.151 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 4 . 1421 . 1 1 9 DPR C C 30.283 5.199 5.312 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 4 . 1422 . 1 1 9 DPR CA C 31.469 4.803 4.428 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 4 . 1423 . 1 1 9 DPR CB C 32.542 4.047 5.235 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 4 . 1424 . 1 1 9 DPR CD C 31.883 2.627 3.357 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 4 . 1425 . 1 1 9 DPR CG C 33.027 2.948 4.331 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 4 . 1426 . 1 1 9 DPR HA H 31.903 5.683 3.977 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 4 . 1427 . 1 1 9 DPR HB2 H 33.358 4.717 5.491 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1428 . 1 1 9 DPR HB3 H 32.117 3.627 6.140 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1429 . 1 1 9 DPR HD2 H 32.274 2.437 2.366 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1430 . 1 1 9 DPR HD3 H 31.310 1.779 3.701 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1431 . 1 1 9 DPR HG2 H 33.901 3.280 3.781 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1432 . 1 1 9 DPR HG3 H 33.272 2.068 4.908 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1433 . 1 1 9 DPR N N 31.046 3.841 3.364 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 4 . 1434 . 1 1 9 DPR O O 29.784 4.394 6.099 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 4 . 1435 . 1 1 10 VAL C C 30.036 4.106 2.560 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 4 . 1436 . 1 1 10 VAL CA C 29.613 3.073 1.498 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 4 . 1437 . 1 1 10 VAL CB C 30.064 3.545 0.105 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 4 . 1438 . 1 1 10 VAL CG1 C 31.592 3.605 0.025 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1439 . 1 1 10 VAL CG2 C 29.531 2.594 -0.963 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1440 . 1 1 10 VAL H H 27.627 3.705 1.896 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 4 . 1441 . 1 1 10 VAL HA H 30.053 2.105 1.716 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 4 . 1442 . 1 1 10 VAL HB H 29.678 4.528 -0.076 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 4 . 1443 . 1 1 10 VAL HG11 H 31.993 2.604 0.065 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 4 . 1444 . 1 1 10 VAL HG12 H 31.977 4.185 0.850 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 4 . 1445 . 1 1 10 VAL HG13 H 31.882 4.070 -0.905 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 4 . 1446 . 1 1 10 VAL HG21 H 28.461 2.692 -1.022 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 4 . 1447 . 1 1 10 VAL HG22 H 29.790 1.579 -0.705 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 4 . 1448 . 1 1 10 VAL HG23 H 29.967 2.847 -1.918 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 4 . 1449 . 1 1 10 VAL N N 28.157 2.945 1.563 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 4 . 1450 . 1 1 10 VAL O O 29.408 5.164 2.665 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 4 . 1451 . 1 1 11 GLN C C 27.540 1.814 1.211 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 4 . 1452 . 1 1 11 GLN CA C 26.021 1.787 1.381 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 4 . 1453 . 1 1 11 GLN CB C 25.721 1.362 2.819 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 4 . 1454 . 1 1 11 GLN CD C 23.911 0.817 4.448 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 4 . 1455 . 1 1 11 GLN CG C 24.208 1.279 3.027 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 4 . 1456 . 1 1 11 GLN H H 25.443 -0.150 0.705 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 4 . 1457 . 1 1 11 GLN HA H 25.611 2.769 1.224 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 4 . 1458 . 1 1 11 GLN HB2 H 26.165 0.396 3.007 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1459 . 1 1 11 GLN HB3 H 26.137 2.089 3.500 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1460 . 1 1 11 GLN HE21 H 25.824 0.693 4.964 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 4 . 1461 . 1 1 11 GLN HE22 H 24.716 0.277 6.181 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 4 . 1462 . 1 1 11 GLN HG2 H 23.768 2.253 2.865 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1463 . 1 1 11 GLN HG3 H 23.787 0.574 2.326 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1464 . 1 1 11 GLN N N 25.376 0.816 0.489 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 4 . 1465 . 1 1 11 GLN NE2 N 24.899 0.576 5.266 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1466 . 1 1 11 GLN O O 28.145 0.829 0.802 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 4 . 1467 . 1 1 11 GLN OE1 O 22.749 0.669 4.825 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1468 . 1 1 12 LYS C C 24.649 1.201 -0.570 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 4 . 1469 . 1 1 12 LYS CA C 23.975 0.067 -1.345 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 4 . 1470 . 1 1 12 LYS CB C 24.193 0.242 -2.854 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 4 . 1471 . 1 1 12 LYS CD C 26.286 -1.287 -2.938 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 4 . 1472 . 1 1 12 LYS CE C 25.547 -2.402 -3.696 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 4 . 1473 . 1 1 12 LYS CG C 25.682 0.108 -3.239 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 4 . 1474 . 1 1 12 LYS H H 21.994 0.827 -1.459 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 4 . 1475 . 1 1 12 LYS HA H 24.371 -0.879 -1.022 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 4 . 1476 . 1 1 12 LYS HB2 H 23.607 -0.483 -3.391 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1477 . 1 1 12 LYS HB3 H 23.854 1.228 -3.135 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1478 . 1 1 12 LYS HD2 H 27.319 -1.287 -3.253 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1479 . 1 1 12 LYS HD3 H 26.252 -1.483 -1.884 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1480 . 1 1 12 LYS HE2 H 24.525 -2.460 -3.360 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1481 . 1 1 12 LYS HE3 H 25.571 -2.200 -4.756 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 4 . 1482 . 1 1 12 LYS HG2 H 25.794 0.313 -4.291 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1483 . 1 1 12 LYS HG3 H 26.236 0.840 -2.683 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1484 . 1 1 12 LYS HZ1 H 25.643 -4.478 -3.836 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 4 . 1485 . 1 1 12 LYS HZ2 H 26.286 -3.851 -2.394 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 4 . 1486 . 1 1 12 LYS HZ3 H 27.158 -3.714 -3.846 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 4 . 1487 . 1 1 12 LYS N N 22.538 0.117 -1.060 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 4 . 1488 . 1 1 12 LYS NZ N 26.208 -3.710 -3.422 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 4 . 1489 . 1 1 12 LYS O O 24.471 2.391 -0.886 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 4 . 1490 . 1 1 13 PHE C C 21.958 -0.781 -0.271 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 4 . 1491 . 1 1 13 PHE CA C 20.458 -0.624 -0.050 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 4 . 1492 . 1 1 13 PHE CB C 20.111 -1.137 1.357 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 4 . 1493 . 1 1 13 PHE CD1 C 17.681 -1.690 0.916 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1494 . 1 1 13 PHE CD2 C 18.219 -0.065 2.635 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1495 . 1 1 13 PHE CE1 C 16.320 -1.512 1.176 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1496 . 1 1 13 PHE CE2 C 16.857 0.108 2.895 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1497 . 1 1 13 PHE CG C 18.635 -0.966 1.647 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 4 . 1498 . 1 1 13 PHE CZ C 15.908 -0.614 2.165 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 4 . 1499 . 1 1 13 PHE H H 20.000 -2.285 -1.298 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 4 . 1500 . 1 1 13 PHE HA H 20.207 0.426 -0.110 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 4 . 1501 . 1 1 13 PHE HB2 H 20.358 -2.178 1.421 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1502 . 1 1 13 PHE HB3 H 20.690 -0.589 2.086 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1503 . 1 1 13 PHE HD1 H 17.993 -2.396 0.164 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1504 . 1 1 13 PHE HD2 H 18.950 0.490 3.202 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1505 . 1 1 13 PHE HE1 H 15.585 -2.069 0.614 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1506 . 1 1 13 PHE HE2 H 16.536 0.802 3.659 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1507 . 1 1 13 PHE HZ H 14.860 -0.475 2.361 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 4 . 1508 . 1 1 13 PHE N N 19.723 -1.363 -1.078 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 4 . 1509 . 1 1 13 PHE O O 22.583 -1.688 0.271 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 4 . 1510 . 1 1 14 ILE C C 18.687 -0.814 -1.725 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 4 . 1511 . 1 1 14 ILE CA C 18.017 -1.697 -2.773 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 4 . 1512 . 1 1 14 ILE CB C 18.298 -1.136 -4.185 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 4 . 1513 . 1 1 14 ILE CD1 C 16.104 0.150 -4.222 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1514 . 1 1 14 ILE CG1 C 17.626 0.235 -4.396 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1515 . 1 1 14 ILE CG2 C 17.825 -2.120 -5.259 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1516 . 1 1 14 ILE H H 16.117 -1.167 -1.957 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 4 . 1517 . 1 1 14 ILE HA H 18.468 -2.678 -2.710 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 4 . 1518 . 1 1 14 ILE HB H 19.367 -1.014 -4.290 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 4 . 1519 . 1 1 14 ILE HD11 H 15.747 -0.824 -4.515 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 4 . 1520 . 1 1 14 ILE HD12 H 15.639 0.898 -4.846 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 4 . 1521 . 1 1 14 ILE HD13 H 15.847 0.335 -3.189 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 4 . 1522 . 1 1 14 ILE HG12 H 18.024 0.944 -3.690 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 4 . 1523 . 1 1 14 ILE HG13 H 17.844 0.580 -5.396 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 4 . 1524 . 1 1 14 ILE HG21 H 18.190 -3.109 -5.025 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 4 . 1525 . 1 1 14 ILE HG22 H 18.214 -1.814 -6.220 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 4 . 1526 . 1 1 14 ILE HG23 H 16.748 -2.131 -5.297 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 4 . 1527 . 1 1 14 ILE N N 16.582 -1.844 -2.504 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 4 . 1528 . 1 1 14 ILE O O 18.284 0.325 -1.496 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 4 . 1529 . 1 1 15 ARG C C 15.902 -2.894 -2.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 4 . 1530 . 1 1 15 ARG CA C 14.417 -2.971 -2.618 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 4 . 1531 . 1 1 15 ARG CB C 14.075 -4.383 -2.202 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 4 . 1532 . 1 1 15 ARG CD C 14.365 -6.154 -0.482 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 4 . 1533 . 1 1 15 ARG CG C 14.817 -4.767 -0.953 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 4 . 1534 . 1 1 15 ARG CZ C 14.024 -7.412 -2.573 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 4 . 1535 . 1 1 15 ARG H H 13.967 -2.690 -4.641 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 4 . 1536 . 1 1 15 ARG HA H 14.187 -2.295 -1.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 4 . 1537 . 1 1 15 ARG HB2 H 13.016 -4.478 -2.036 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1538 . 1 1 15 ARG HB3 H 14.376 -5.025 -3.005 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1539 . 1 1 15 ARG HD2 H 14.809 -6.369 0.469 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1540 . 1 1 15 ARG HD3 H 13.287 -6.102 -0.372 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1541 . 1 1 15 ARG HE H 15.436 -7.821 -1.225 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 4 . 1542 . 1 1 15 ARG HG2 H 15.877 -4.777 -1.156 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1543 . 1 1 15 ARG HG3 H 14.609 -4.043 -0.181 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1544 . 1 1 15 ARG HH11 H 12.519 -6.180 -2.099 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 4 . 1545 . 1 1 15 ARG HH12 H 12.418 -6.916 -3.663 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 4 . 1546 . 1 1 15 ARG HH21 H 15.297 -8.802 -3.252 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 4 . 1547 . 1 1 15 ARG HH22 H 13.988 -8.402 -4.315 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 4 . 1548 . 1 1 15 ARG N N 13.582 -2.703 -3.756 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 4 . 1549 . 1 1 15 ARG NE N 14.673 -7.244 -1.420 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 4 . 1550 . 1 1 15 ARG NH1 N 12.899 -6.787 -2.795 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 4 . 1551 . 1 1 15 ARG NH2 N 14.471 -8.272 -3.448 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 4 . 1552 . 1 1 15 ARG O O 16.427 -3.778 -3.644 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 4 . 1553 . 1 1 16 VAL C C 12.277 -2.550 -3.582 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 4 . 1554 . 1 1 16 VAL CA C 11.423 -2.336 -4.813 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 4 . 1555 . 1 1 16 VAL CB C 10.193 -1.499 -4.372 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 4 . 1556 . 1 1 16 VAL CG1 C 10.683 -0.180 -3.768 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1557 . 1 1 16 VAL CG2 C 9.265 -1.168 -5.554 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1558 . 1 1 16 VAL H H 11.197 -4.471 -4.801 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 4 . 1559 . 1 1 16 VAL HA H 11.983 -1.790 -5.555 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 4 . 1560 . 1 1 16 VAL HB H 9.641 -2.049 -3.622 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 4 . 1561 . 1 1 16 VAL HG11 H 11.446 0.240 -4.403 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 4 . 1562 . 1 1 16 VAL HG12 H 11.093 -0.364 -2.786 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 4 . 1563 . 1 1 16 VAL HG13 H 9.859 0.515 -3.688 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 4 . 1564 . 1 1 16 VAL HG21 H 8.578 -0.389 -5.259 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 4 . 1565 . 1 1 16 VAL HG22 H 8.699 -2.041 -5.834 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 4 . 1566 . 1 1 16 VAL HG23 H 9.852 -0.821 -6.391 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 4 . 1567 . 1 1 16 VAL N N 11.025 -3.649 -5.352 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 4 . 1568 . 1 1 16 VAL O O 11.746 -2.620 -2.473 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 4 . 1569 . 1 1 17 . C11 C 10.620 -7.671 -8.415 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 4 . 1570 . 1 1 17 . C12 C 9.710 -6.609 -9.010 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 4 . 1571 . 1 1 17 . C13 C 10.150 -5.231 -8.543 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 4 . 1572 . 1 1 17 . C14 C 10.092 -5.168 -7.025 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 4 . 1573 . 1 1 17 . C15 C 10.483 -3.769 -6.546 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 4 . 1574 . 1 1 17 . C7 C 12.464 -5.950 -6.886 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 4 . 1575 . 1 1 17 . C8 C 11.027 -6.210 -6.432 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 4 . 1576 . 1 1 17 . C9 C 10.585 -7.588 -6.896 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 4 . 1577 . 1 1 17 . H111 H 11.642 -7.516 -8.761 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 4 . 1578 . 1 1 17 . H112 H 10.279 -8.657 -8.731 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 4 . 1579 . 1 1 17 . H12 H 8.688 -6.797 -8.684 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 4 . 1580 . 1 1 17 . H14 H 9.071 -5.376 -6.703 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 4 . 1581 . 1 1 17 . H8 H 10.982 -6.165 -5.344 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 4 . 1582 . 1 1 17 . H9 H 11.254 -8.339 -6.473 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 4 . 1583 . 1 1 17 . HAG H 9.757 -6.654 -10.098 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 4 . 1584 . 1 1 17 . HAI H 9.569 -7.779 -6.552 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 4 . 1585 . 1 1 17 . HAK H 11.170 -5.037 -8.876 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 4 . 1586 . 1 1 17 . HAL H 9.482 -4.483 -8.968 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 4 . 1587 . 1 1 17 . O1 O 13.088 -6.835 -7.470 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 4 . 1588 . 1 1 17 . OAB O 10.293 -2.805 -7.286 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 4 . 1589 . 1 1 18 GLY C C 15.254 -5.699 -6.725 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 4 . 1590 . 1 1 18 GLY CA C 14.389 -4.481 -6.995 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 4 . 1591 . 1 1 18 GLY H H 12.496 -4.111 -6.131 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 4 . 1592 . 1 1 18 GLY HA2 H 14.427 -4.233 -8.047 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 4 . 1593 . 1 1 18 GLY HA3 H 14.754 -3.650 -6.411 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 4 . 1594 . 1 1 18 GLY N N 13.009 -4.781 -6.612 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 4 . 1595 . 1 1 18 GLY O O 15.416 -6.551 -7.597 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 4 . 1596 . 1 1 19 VAL C C 16.862 -6.989 -3.640 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 4 . 1597 . 1 1 19 VAL CA C 16.527 -6.977 -5.133 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 4 . 1598 . 1 1 19 VAL CB C 17.812 -7.063 -5.981 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 4 . 1599 . 1 1 19 VAL CG1 C 18.662 -5.798 -5.782 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1600 . 1 1 19 VAL CG2 C 18.624 -8.298 -5.565 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1601 . 1 1 19 VAL H H 15.545 -5.128 -4.827 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 4 . 1602 . 1 1 19 VAL HA H 15.905 -7.833 -5.345 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 4 . 1603 . 1 1 19 VAL HB H 17.550 -7.149 -7.023 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 4 . 1604 . 1 1 19 VAL HG11 H 18.637 -5.496 -4.748 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 4 . 1605 . 1 1 19 VAL HG12 H 18.266 -5.003 -6.397 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 4 . 1606 . 1 1 19 VAL HG13 H 19.684 -5.998 -6.073 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 4 . 1607 . 1 1 19 VAL HG21 H 17.959 -9.135 -5.414 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 4 . 1608 . 1 1 19 VAL HG22 H 19.160 -8.092 -4.651 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 4 . 1609 . 1 1 19 VAL HG23 H 19.331 -8.541 -6.346 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 4 . 1610 . 1 1 19 VAL N N 15.746 -5.812 -5.500 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 4 . 1611 . 1 1 19 VAL O O 16.721 -5.980 -2.958 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 4 . 1612 . 1 1 20 THR C C 19.190 -8.375 -1.573 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 4 . 1613 . 1 1 20 THR CA C 17.672 -8.276 -1.722 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 4 . 1614 . 1 1 20 THR CB C 17.025 -9.543 -1.129 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 4 . 1615 . 1 1 20 THR CG2 C 17.535 -10.813 -1.843 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1616 . 1 1 20 THR H H 17.407 -8.912 -3.734 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 4 . 1617 . 1 1 20 THR HA H 17.321 -7.413 -1.174 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 4 . 1618 . 1 1 20 THR HB H 15.953 -9.480 -1.232 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 4 . 1619 . 1 1 20 THR HG1 H 17.989 -8.930 0.447 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1620 . 1 1 20 THR HG21 H 17.950 -10.562 -2.807 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 4 . 1621 . 1 1 20 THR HG22 H 16.719 -11.509 -1.977 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 4 . 1622 . 1 1 20 THR HG23 H 18.298 -11.278 -1.236 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 4 . 1623 . 1 1 20 THR N N 17.313 -8.142 -3.141 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 4 . 1624 . 1 1 20 THR O O 19.757 -9.467 -1.584 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 4 . 1625 . 1 1 20 THR OG1 O 17.362 -9.629 0.250 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1626 . 1 1 21 ILE C C 21.750 -5.816 -0.800 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 4 . 1627 . 1 1 21 ILE CA C 21.293 -7.194 -1.279 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 4 . 1628 . 1 1 21 ILE CB C 21.961 -7.529 -2.619 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 4 . 1629 . 1 1 21 ILE CD1 C 23.927 -8.602 -1.456 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 4 . 1630 . 1 1 21 ILE CG1 C 23.492 -7.537 -2.472 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 4 . 1631 . 1 1 21 ILE CG2 C 21.564 -6.480 -3.657 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1632 . 1 1 21 ILE H H 19.340 -6.382 -1.429 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 4 . 1633 . 1 1 21 ILE HA H 21.580 -7.935 -0.548 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 4 . 1634 . 1 1 21 ILE HB H 21.626 -8.502 -2.951 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 4 . 1635 . 1 1 21 ILE HD11 H 24.934 -8.921 -1.681 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 4 . 1636 . 1 1 21 ILE HD12 H 23.262 -9.453 -1.508 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 4 . 1637 . 1 1 21 ILE HD13 H 23.899 -8.185 -0.461 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 4 . 1638 . 1 1 21 ILE HG12 H 23.939 -7.757 -3.431 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 4 . 1639 . 1 1 21 ILE HG13 H 23.829 -6.568 -2.139 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 4 . 1640 . 1 1 21 ILE HG21 H 21.825 -6.832 -4.644 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 4 . 1641 . 1 1 21 ILE HG22 H 22.087 -5.557 -3.454 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 4 . 1642 . 1 1 21 ILE HG23 H 20.499 -6.309 -3.605 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 4 . 1643 . 1 1 21 ILE N N 19.842 -7.224 -1.431 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 4 . 1644 . 1 1 21 ILE O O 21.121 -4.793 -1.113 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 4 . 1645 . 1 1 22 ARG C C 24.866 -4.623 0.739 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 4 . 1646 . 1 1 22 ARG CA C 23.376 -4.518 0.448 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 4 . 1647 . 1 1 22 ARG CB C 22.624 -4.103 1.712 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 4 . 1648 . 1 1 22 ARG CD C 22.048 -4.668 4.061 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 4 . 1649 . 1 1 22 ARG CG C 22.840 -5.122 2.832 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 4 . 1650 . 1 1 22 ARG CZ C 23.688 -3.093 4.944 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 4 . 1651 . 1 1 22 ARG H H 23.317 -6.620 0.167 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 4 . 1652 . 1 1 22 ARG HA H 23.231 -3.767 -0.310 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 4 . 1653 . 1 1 22 ARG HB2 H 22.972 -3.137 2.041 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1654 . 1 1 22 ARG HB3 H 21.575 -4.052 1.489 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1655 . 1 1 22 ARG HD2 H 20.996 -4.652 3.822 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1656 . 1 1 22 ARG HD3 H 22.217 -5.366 4.870 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1657 . 1 1 22 ARG HE H 21.831 -2.583 4.398 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 4 . 1658 . 1 1 22 ARG HG2 H 22.490 -6.092 2.510 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1659 . 1 1 22 ARG HG3 H 23.888 -5.179 3.078 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1660 . 1 1 22 ARG HH11 H 24.272 -5.004 4.844 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 4 . 1661 . 1 1 22 ARG HH12 H 25.457 -3.886 5.434 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 4 . 1662 . 1 1 22 ARG HH21 H 23.381 -1.129 5.175 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 4 . 1663 . 1 1 22 ARG HH22 H 24.953 -1.699 5.623 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 4 . 1664 . 1 1 22 ARG N N 22.852 -5.785 -0.048 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 4 . 1665 . 1 1 22 ARG NE N 22.466 -3.330 4.480 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 4 . 1666 . 1 1 22 ARG NH1 N 24.539 -4.070 5.086 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 4 . 1667 . 1 1 22 ARG NH2 N 24.035 -1.878 5.273 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 4 . 1668 . 1 1 22 ARG O O 25.391 -5.720 0.935 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 4 . 1669 . 1 1 23 GLU C C 27.490 -2.113 1.482 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 4 . 1670 . 1 1 23 GLU CA C 26.989 -3.478 1.014 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 4 . 1671 . 1 1 23 GLU CB C 27.723 -3.931 -0.256 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 4 . 1672 . 1 1 23 GLU CD C 29.707 -4.841 1.046 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 4 . 1673 . 1 1 23 GLU CG C 29.247 -3.907 -0.076 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 4 . 1674 . 1 1 23 GLU H H 25.095 -2.631 0.582 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 4 . 1675 . 1 1 23 GLU HA H 27.177 -4.182 1.792 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 4 . 1676 . 1 1 23 GLU HB2 H 27.415 -4.937 -0.498 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1677 . 1 1 23 GLU HB3 H 27.455 -3.279 -1.070 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1678 . 1 1 23 GLU HG2 H 29.708 -4.218 -1.000 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1679 . 1 1 23 GLU HG3 H 29.556 -2.901 0.146 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1680 . 1 1 23 GLU N N 25.555 -3.479 0.756 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 4 . 1681 . 1 1 23 GLU O O 26.873 -1.084 1.210 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 4 . 1682 . 1 1 23 GLU OE1 O 29.334 -4.616 2.183 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 4 . 1683 . 1 1 23 GLU OE2 O 30.428 -5.777 0.743 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1684 . 1 1 24 LYS C C 30.250 -0.420 1.688 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 4 . 1685 . 1 1 24 LYS CA C 29.245 -0.930 2.710 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 4 . 1686 . 1 1 24 LYS CB C 29.984 -1.202 4.035 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 4 . 1687 . 1 1 24 LYS CD C 28.423 -3.042 4.840 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 4 . 1688 . 1 1 24 LYS CE C 27.630 -3.517 6.049 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 4 . 1689 . 1 1 24 LYS CG C 29.061 -1.690 5.167 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 4 . 1690 . 1 1 24 LYS H H 29.061 -2.974 2.361 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 4 . 1691 . 1 1 24 LYS HA H 28.489 -0.177 2.877 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 4 . 1692 . 1 1 24 LYS HB2 H 30.728 -1.963 3.865 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 4 . 1693 . 1 1 24 LYS HB3 H 30.476 -0.299 4.354 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 4 . 1694 . 1 1 24 LYS HD2 H 27.743 -2.939 4.016 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 4 . 1695 . 1 1 24 LYS HD3 H 29.186 -3.765 4.603 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 4 . 1696 . 1 1 24 LYS HE2 H 28.295 -3.609 6.896 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 4 . 1697 . 1 1 24 LYS HE3 H 26.855 -2.801 6.274 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 4 . 1698 . 1 1 24 LYS HG2 H 29.636 -1.785 6.075 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 4 . 1699 . 1 1 24 LYS HG3 H 28.280 -0.959 5.321 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 4 . 1700 . 1 1 24 LYS HZ1 H 26.022 -4.835 6.028 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 4 . 1701 . 1 1 24 LYS HZ2 H 27.531 -5.581 6.259 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 4 . 1702 . 1 1 24 LYS HZ3 H 27.087 -5.016 4.720 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 4 . 1703 . 1 1 24 LYS N N 28.625 -2.130 2.192 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 4 . 1704 . 1 1 24 LYS NZ N 27.020 -4.837 5.742 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 4 . 1705 . 1 1 24 LYS O O 31.291 0.127 2.050 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 4 . 1706 . 1 1 25 NH2 HN1 H 30.591 -0.176 -0.247 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 4 . 1707 . 1 1 25 NH2 HN2 H 29.156 -0.985 0.133 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 4 . 1708 . 1 1 25 NH2 N N 29.983 -0.545 0.418 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 5 . 1709 . 1 1 1 ACE C C 11.025 0.388 -0.172 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 5 . 1710 . 1 1 1 ACE CH3 C 10.821 -0.969 0.495 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 5 . 1711 . 1 1 1 ACE H1 H 10.382 -0.828 1.471 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 5 . 1712 . 1 1 1 ACE H2 H 11.774 -1.466 0.597 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 5 . 1713 . 1 1 1 ACE H3 H 10.163 -1.572 -0.112 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 5 . 1714 . 1 1 1 ACE O O 10.062 1.051 -0.557 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 5 . 1715 . 1 1 2 GLU C C 14.073 2.156 -1.344 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 5 . 1716 . 1 1 2 GLU CA C 12.600 2.077 -0.917 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 5 . 1717 . 1 1 2 GLU CB C 12.244 3.209 0.057 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 5 . 1718 . 1 1 2 GLU CD C 12.621 4.151 2.348 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 5 . 1719 . 1 1 2 GLU CG C 12.989 3.025 1.387 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 5 . 1720 . 1 1 2 GLU H H 13.010 0.227 0.029 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 5 . 1721 . 1 1 2 GLU HA H 11.986 2.188 -1.799 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 5 . 1722 . 1 1 2 GLU HB2 H 12.515 4.160 -0.379 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1723 . 1 1 2 GLU HB3 H 11.181 3.196 0.244 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1724 . 1 1 2 GLU HG2 H 12.707 2.078 1.824 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1725 . 1 1 2 GLU HG3 H 14.053 3.035 1.219 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1726 . 1 1 2 GLU N N 12.283 0.797 -0.300 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 5 . 1727 . 1 1 2 GLU O O 14.608 1.234 -1.990 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 5 . 1728 . 1 1 2 GLU OE1 O 12.866 5.296 2.008 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1729 . 1 1 2 GLU OE2 O 12.102 3.850 3.410 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1730 . 1 1 3 ARG C C 16.962 3.858 -0.117 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 5 . 1731 . 1 1 3 ARG CA C 16.133 3.477 -1.345 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 5 . 1732 . 1 1 3 ARG CB C 16.215 4.601 -2.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 5 . 1733 . 1 1 3 ARG CD C 15.532 5.328 -4.666 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 5 . 1734 . 1 1 3 ARG CG C 15.458 4.194 -3.640 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 5 . 1735 . 1 1 3 ARG CZ C 13.504 4.776 -5.904 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 5 . 1736 . 1 1 3 ARG H H 14.257 3.958 -0.490 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 5 . 1737 . 1 1 3 ARG HA H 16.542 2.573 -1.773 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 5 . 1738 . 1 1 3 ARG HB2 H 15.771 5.496 -1.963 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1739 . 1 1 3 ARG HB3 H 17.243 4.793 -2.616 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1740 . 1 1 3 ARG HD2 H 15.084 6.217 -4.249 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1741 . 1 1 3 ARG HD3 H 16.568 5.530 -4.899 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 1742 . 1 1 3 ARG HE H 15.331 4.842 -6.720 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 5 . 1743 . 1 1 3 ARG HG2 H 15.904 3.303 -4.055 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1744 . 1 1 3 ARG HG3 H 14.427 3.998 -3.393 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1745 . 1 1 3 ARG HH11 H 13.249 5.260 -3.978 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 5 . 1746 . 1 1 3 ARG HH12 H 11.811 4.826 -4.839 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 5 . 1747 . 1 1 3 ARG HH21 H 13.447 4.276 -7.841 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 5 . 1748 . 1 1 3 ARG HH22 H 11.922 4.271 -7.020 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 5 . 1749 . 1 1 3 ARG N N 14.729 3.263 -0.993 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 5 . 1750 . 1 1 3 ARG NE N 14.823 4.964 -5.891 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 5 . 1751 . 1 1 3 ARG NH1 N 12.800 4.970 -4.823 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 5 . 1752 . 1 1 3 ARG NH2 N 12.912 4.413 -7.008 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 5 . 1753 . 1 1 3 ARG O O 16.447 4.455 0.830 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 5 . 1754 . 1 1 4 PHE C C 20.580 4.059 0.467 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 5 . 1755 . 1 1 4 PHE CA C 19.151 3.815 0.977 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 5 . 1756 . 1 1 4 PHE CB C 19.160 2.624 1.952 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 5 . 1757 . 1 1 4 PHE CD1 C 20.699 4.058 3.472 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1758 . 1 1 4 PHE CD2 C 20.138 1.782 4.109 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1759 . 1 1 4 PHE CE1 C 21.471 4.182 4.635 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1760 . 1 1 4 PHE CE2 C 20.914 1.914 5.264 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1761 . 1 1 4 PHE CG C 20.026 2.843 3.198 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 5 . 1762 . 1 1 4 PHE CZ C 21.582 3.110 5.526 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 5 . 1763 . 1 1 4 PHE H H 18.607 3.032 -0.922 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 5 . 1764 . 1 1 4 PHE HA H 18.793 4.694 1.491 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 5 . 1765 . 1 1 4 PHE HB2 H 18.148 2.430 2.270 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1766 . 1 1 4 PHE HB3 H 19.527 1.757 1.429 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1767 . 1 1 4 PHE HD1 H 20.622 4.898 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1768 . 1 1 4 PHE HD2 H 19.628 0.850 3.910 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1769 . 1 1 4 PHE HE1 H 21.985 5.107 4.841 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1770 . 1 1 4 PHE HE2 H 20.992 1.089 5.957 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1771 . 1 1 4 PHE HZ H 22.187 3.207 6.417 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 5 . 1772 . 1 1 4 PHE N N 18.253 3.506 -0.141 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 5 . 1773 . 1 1 4 PHE O O 21.290 3.121 0.109 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 5 . 1774 . 1 1 5 TYR C C 23.101 6.326 1.276 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 5 . 1775 . 1 1 5 TYR CA C 22.367 5.709 0.096 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 5 . 1776 . 1 1 5 TYR CB C 22.361 6.713 -1.065 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 5 . 1777 . 1 1 5 TYR CD1 C 20.586 5.533 -2.454 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1778 . 1 1 5 TYR CD2 C 22.747 6.000 -3.451 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1779 . 1 1 5 TYR CE1 C 20.173 4.939 -3.657 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1780 . 1 1 5 TYR CE2 C 22.329 5.410 -4.645 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1781 . 1 1 5 TYR CG C 21.877 6.065 -2.349 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 5 . 1782 . 1 1 5 TYR CZ C 21.044 4.880 -4.748 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 5 . 1783 . 1 1 5 TYR H H 20.398 6.018 0.828 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 5 . 1784 . 1 1 5 TYR HA H 22.908 4.825 -0.219 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 5 . 1785 . 1 1 5 TYR HB2 H 21.702 7.533 -0.816 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1786 . 1 1 5 TYR HB3 H 23.361 7.097 -1.204 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1787 . 1 1 5 TYR HD1 H 19.910 5.578 -1.614 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1788 . 1 1 5 TYR HD2 H 23.747 6.406 -3.375 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1789 . 1 1 5 TYR HE1 H 19.184 4.526 -3.744 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1790 . 1 1 5 TYR HE2 H 23.002 5.363 -5.489 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1791 . 1 1 5 TYR HH H 21.413 4.008 -6.405 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 5 . 1792 . 1 1 5 TYR N N 21.004 5.324 0.494 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 5 . 1793 . 1 1 5 TYR O O 22.561 7.185 1.974 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 5 . 1794 . 1 1 5 TYR OH O 20.632 4.298 -5.929 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 5 . 1795 . 1 1 6 GLU C C 26.562 6.701 2.138 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 5 . 1796 . 1 1 6 GLU CA C 25.143 6.395 2.606 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 5 . 1797 . 1 1 6 GLU CB C 25.184 5.347 3.719 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 5 . 1798 . 1 1 6 GLU CD C 25.487 7.087 5.559 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 5 . 1799 . 1 1 6 GLU CG C 26.037 5.811 4.911 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 5 . 1800 . 1 1 6 GLU H H 24.716 5.190 0.917 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 5 . 1801 . 1 1 6 GLU HA H 24.693 7.298 2.983 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 5 . 1802 . 1 1 6 GLU HB2 H 24.179 5.150 4.057 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1803 . 1 1 6 GLU HB3 H 25.607 4.441 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1804 . 1 1 6 GLU HG2 H 26.056 5.027 5.650 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1805 . 1 1 6 GLU HG3 H 27.042 5.993 4.570 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1806 . 1 1 6 GLU N N 24.338 5.882 1.501 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 5 . 1807 . 1 1 6 GLU O O 27.202 5.873 1.484 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 5 . 1808 . 1 1 6 GLU OE1 O 25.448 8.109 4.899 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1809 . 1 1 6 GLU OE2 O 25.113 7.016 6.718 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1810 . 1 1 7 LYS C C 29.246 8.500 3.383 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 5 . 1811 . 1 1 7 LYS CA C 28.405 8.311 2.125 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 5 . 1812 . 1 1 7 LYS CB C 28.393 9.617 1.299 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 5 . 1813 . 1 1 7 LYS CD C 26.470 10.694 2.680 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 5 . 1814 . 1 1 7 LYS CE C 25.443 10.330 1.600 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 5 . 1815 . 1 1 7 LYS CG C 27.884 10.855 2.085 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 5 . 1816 . 1 1 7 LYS H H 26.491 8.484 3.022 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 5 . 1817 . 1 1 7 LYS HA H 28.867 7.535 1.526 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 5 . 1818 . 1 1 7 LYS HB2 H 29.404 9.818 0.977 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1819 . 1 1 7 LYS HB3 H 27.784 9.474 0.421 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1820 . 1 1 7 LYS HD2 H 26.478 9.952 3.454 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1821 . 1 1 7 LYS HD3 H 26.181 11.638 3.121 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 1822 . 1 1 7 LYS HE2 H 25.686 9.378 1.161 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1823 . 1 1 7 LYS HE3 H 24.464 10.269 2.053 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 5 . 1824 . 1 1 7 LYS HG2 H 28.571 11.063 2.888 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1825 . 1 1 7 LYS HG3 H 27.881 11.702 1.415 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1826 . 1 1 7 LYS HZ1 H 24.624 11.229 -0.091 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 5 . 1827 . 1 1 7 LYS HZ2 H 26.315 11.352 0.008 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 5 . 1828 . 1 1 7 LYS HZ3 H 25.330 12.321 0.997 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 5 . 1829 . 1 1 7 LYS N N 27.049 7.890 2.493 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 5 . 1830 . 1 1 7 LYS NZ N 25.427 11.388 0.549 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 5 . 1831 . 1 1 7 LYS O O 28.878 9.246 4.290 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 5 . 1832 . 1 1 8 . CAA C 31.737 6.944 6.871 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 5 . 1833 . 1 1 8 . CAB C 29.576 6.429 5.736 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 5 . 1834 . 1 1 8 . CAE C 31.211 7.925 4.645 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 5 . 1835 . 1 1 8 . CAF C 31.069 6.678 5.520 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 5 . 1836 . 1 1 8 . HAA H 30.993 7.310 7.578 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 5 . 1837 . 1 1 8 . HAB H 32.519 7.693 6.749 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 5 . 1838 . 1 1 8 . HAC H 32.173 6.020 7.249 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 5 . 1839 . 1 1 8 . HAD H 29.129 6.130 4.789 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 5 . 1840 . 1 1 8 . HAE H 29.101 7.343 6.092 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 5 . 1841 . 1 1 8 . HAF H 29.439 5.641 6.477 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 5 . 1842 . 1 1 8 . HAG H 30.923 8.801 5.226 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 5 . 1843 . 1 1 8 . HAH H 32.247 8.025 4.328 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 5 . 1844 . 1 1 8 . HAI H 30.609 7.201 2.710 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 5 . 1845 . 1 1 8 . HAL H 32.454 5.714 4.213 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 5 . 1846 . 1 1 8 . NAC N 30.352 7.815 3.457 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 5 . 1847 . 1 1 8 . NAD N 31.703 5.533 4.849 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 5 . 1848 . 1 1 9 DPR C C 31.332 4.288 5.034 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 5 . 1849 . 1 1 9 DPR CA C 32.124 3.265 4.229 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 5 . 1850 . 1 1 9 DPR CB C 32.468 2.035 5.069 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 5 . 1851 . 1 1 9 DPR CD C 31.682 1.277 2.873 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 5 . 1852 . 1 1 9 DPR CG C 32.580 0.912 4.077 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 5 . 1853 . 1 1 9 DPR HA H 33.035 3.712 3.863 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 5 . 1854 . 1 1 9 DPR HB2 H 33.409 2.189 5.588 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1855 . 1 1 9 DPR HB3 H 31.679 1.831 5.782 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1856 . 1 1 9 DPR HD2 H 32.223 1.152 1.942 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1857 . 1 1 9 DPR HD3 H 30.786 0.675 2.870 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 1858 . 1 1 9 DPR HG2 H 33.611 0.807 3.755 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1859 . 1 1 9 DPR HG3 H 32.240 -0.015 4.519 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1860 . 1 1 9 DPR N N 31.342 2.699 3.088 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 5 . 1861 . 1 1 9 DPR O O 30.424 3.939 5.786 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 5 . 1862 . 1 1 10 VAL C C 30.471 3.425 2.397 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 5 . 1863 . 1 1 10 VAL CA C 29.725 2.781 1.209 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 5 . 1864 . 1 1 10 VAL CB C 29.849 3.709 -0.003 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 5 . 1865 . 1 1 10 VAL CG1 C 31.326 3.929 -0.334 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 5 . 1866 . 1 1 10 VAL CG2 C 29.141 3.081 -1.208 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1867 . 1 1 10 VAL H H 27.660 3.297 1.334 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 5 . 1868 . 1 1 10 VAL HA H 30.179 1.832 0.957 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 5 . 1869 . 1 1 10 VAL HB H 29.391 4.660 0.228 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 5 . 1870 . 1 1 10 VAL HG11 H 31.775 4.555 0.422 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 5 . 1871 . 1 1 10 VAL HG12 H 31.411 4.409 -1.297 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 5 . 1872 . 1 1 10 VAL HG13 H 31.835 2.976 -0.360 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 5 . 1873 . 1 1 10 VAL HG21 H 29.737 2.267 -1.592 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 5 . 1874 . 1 1 10 VAL HG22 H 29.013 3.829 -1.978 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 5 . 1875 . 1 1 10 VAL HG23 H 28.174 2.710 -0.905 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 5 . 1876 . 1 1 10 VAL N N 28.300 2.568 1.499 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 5 . 1877 . 1 1 10 VAL O O 30.272 4.612 2.672 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 5 . 1878 . 1 1 11 GLN C C 27.856 1.392 1.948 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 5 . 1879 . 1 1 11 GLN CA C 26.355 1.250 2.179 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 5 . 1880 . 1 1 11 GLN CB C 26.106 0.288 3.356 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 5 . 1881 . 1 1 11 GLN CD C 25.967 2.118 5.092 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 5 . 1882 . 1 1 11 GLN CG C 26.690 0.843 4.660 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 5 . 1883 . 1 1 11 GLN H H 25.894 -0.277 0.764 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 5 . 1884 . 1 1 11 GLN HA H 25.931 2.216 2.396 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 5 . 1885 . 1 1 11 GLN HB2 H 25.044 0.145 3.477 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1886 . 1 1 11 GLN HB3 H 26.568 -0.664 3.140 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1887 . 1 1 11 GLN HE21 H 24.556 1.978 3.704 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 5 . 1888 . 1 1 11 GLN HE22 H 24.433 3.323 4.732 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 5 . 1889 . 1 1 11 GLN HG2 H 26.582 0.102 5.436 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1890 . 1 1 11 GLN HG3 H 27.736 1.059 4.518 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1891 . 1 1 11 GLN N N 25.738 0.681 0.976 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 5 . 1892 . 1 1 11 GLN NE2 N 24.897 2.504 4.457 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1893 . 1 1 11 GLN O O 28.598 0.445 2.145 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 5 . 1894 . 1 1 11 GLN OE1 O 26.350 2.736 6.084 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1895 . 1 1 12 LYS C C 24.949 1.413 0.179 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 5 . 1896 . 1 1 12 LYS CA C 24.345 0.671 -1.016 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 5 . 1897 . 1 1 12 LYS CB C 24.836 1.238 -2.365 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 5 . 1898 . 1 1 12 LYS CD C 24.914 3.276 -3.898 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 5 . 1899 . 1 1 12 LYS CE C 24.446 2.504 -5.148 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 5 . 1900 . 1 1 12 LYS CG C 24.366 2.683 -2.575 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 5 . 1901 . 1 1 12 LYS H H 22.428 1.577 -1.032 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 5 . 1902 . 1 1 12 LYS HA H 24.661 -0.358 -0.950 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 5 . 1903 . 1 1 12 LYS HB2 H 25.911 1.208 -2.410 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1904 . 1 1 12 LYS HB3 H 24.429 0.618 -3.137 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1905 . 1 1 12 LYS HD2 H 24.594 4.298 -3.983 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1906 . 1 1 12 LYS HD3 H 25.994 3.256 -3.862 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 1907 . 1 1 12 LYS HE2 H 23.368 2.455 -5.151 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1908 . 1 1 12 LYS HE3 H 24.778 3.030 -6.033 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 5 . 1909 . 1 1 12 LYS HG2 H 23.287 2.703 -2.601 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1910 . 1 1 12 LYS HG3 H 24.710 3.292 -1.757 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1911 . 1 1 12 LYS HZ1 H 24.231 0.442 -4.976 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 5 . 1912 . 1 1 12 LYS HZ2 H 25.730 1.031 -4.434 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 5 . 1913 . 1 1 12 LYS HZ3 H 25.408 0.923 -6.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 5 . 1914 . 1 1 12 LYS N N 22.885 0.714 -0.944 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 5 . 1915 . 1 1 12 LYS NZ N 24.995 1.121 -5.166 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 5 . 1916 . 1 1 12 LYS O O 24.684 2.597 0.403 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 5 . 1917 . 1 1 13 PHE C C 22.160 -0.384 -0.725 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 5 . 1918 . 1 1 13 PHE CA C 20.649 -0.169 -0.635 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 5 . 1919 . 1 1 13 PHE CB C 20.133 -0.933 0.598 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 5 . 1920 . 1 1 13 PHE CD1 C 17.864 0.224 0.193 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1921 . 1 1 13 PHE CD2 C 18.072 -1.430 1.953 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1922 . 1 1 13 PHE CE1 C 16.526 0.406 0.533 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1923 . 1 1 13 PHE CE2 C 16.726 -1.238 2.287 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1924 . 1 1 13 PHE CG C 18.652 -0.704 0.900 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 5 . 1925 . 1 1 13 PHE CZ C 15.955 -0.320 1.572 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 5 . 1926 . 1 1 13 PHE H H 19.926 -1.590 -2.042 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 5 . 1927 . 1 1 13 PHE HA H 20.474 0.885 -0.493 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 5 . 1928 . 1 1 13 PHE HB2 H 20.292 -1.989 0.441 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1929 . 1 1 13 PHE HB3 H 20.711 -0.618 1.453 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1930 . 1 1 13 PHE HD1 H 18.273 0.803 -0.603 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1931 . 1 1 13 PHE HD2 H 18.665 -2.143 2.505 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1932 . 1 1 13 PHE HE1 H 15.934 1.113 -0.011 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 5 . 1933 . 1 1 13 PHE HE2 H 16.286 -1.799 3.098 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 5 . 1934 . 1 1 13 PHE HZ H 14.918 -0.166 1.824 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 5 . 1935 . 1 1 13 PHE N N 19.966 -0.627 -1.857 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 5 . 1936 . 1 1 13 PHE O O 22.667 -1.505 -0.564 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 5 . 1937 . 1 1 14 ILE C C 19.403 0.223 -2.727 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 5 . 1938 . 1 1 14 ILE CA C 18.739 -0.426 -3.948 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 5 . 1939 . 1 1 14 ILE CB C 18.849 0.452 -5.211 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 5 . 1940 . 1 1 14 ILE CD1 C 18.134 2.553 -6.361 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 5 . 1941 . 1 1 14 ILE CG1 C 17.981 1.714 -5.090 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 5 . 1942 . 1 1 14 ILE CG2 C 18.384 -0.347 -6.430 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1943 . 1 1 14 ILE H H 16.769 -0.184 -3.132 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 5 . 1944 . 1 1 14 ILE HA H 19.276 -1.345 -4.143 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 5 . 1945 . 1 1 14 ILE HB H 19.881 0.739 -5.351 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 5 . 1946 . 1 1 14 ILE HD11 H 17.769 3.553 -6.179 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 5 . 1947 . 1 1 14 ILE HD12 H 17.564 2.102 -7.161 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 5 . 1948 . 1 1 14 ILE HD13 H 19.176 2.598 -6.643 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 5 . 1949 . 1 1 14 ILE HG12 H 16.948 1.428 -4.972 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 5 . 1950 . 1 1 14 ILE HG13 H 18.289 2.302 -4.246 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 5 . 1951 . 1 1 14 ILE HG21 H 17.311 -0.468 -6.392 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 5 . 1952 . 1 1 14 ILE HG22 H 18.856 -1.318 -6.431 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 5 . 1953 . 1 1 14 ILE HG23 H 18.652 0.183 -7.332 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 5 . 1954 . 1 1 14 ILE N N 17.327 -0.768 -3.703 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 5 . 1955 . 1 1 14 ILE O O 19.418 1.440 -2.565 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 5 . 1956 . 1 1 15 ARG C C 16.797 -1.865 -4.249 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 5 . 1957 . 1 1 15 ARG CA C 15.332 -2.155 -3.945 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 5 . 1958 . 1 1 15 ARG CB C 15.207 -2.298 -2.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 5 . 1959 . 1 1 15 ARG CD C 12.779 -1.589 -2.270 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 5 . 1960 . 1 1 15 ARG CG C 13.795 -2.679 -1.932 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 5 . 1961 . 1 1 15 ARG CZ C 11.877 -2.490 -4.334 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 5 . 1962 . 1 1 15 ARG H H 15.272 -4.257 -4.241 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 5 . 1963 . 1 1 15 ARG HA H 14.725 -1.336 -4.293 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 5 . 1964 . 1 1 15 ARG HB2 H 15.885 -3.054 -2.109 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 1965 . 1 1 15 ARG HB3 H 15.494 -1.363 -1.967 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 1966 . 1 1 15 ARG HD2 H 11.856 -1.792 -1.752 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 1967 . 1 1 15 ARG HD3 H 13.169 -0.641 -1.933 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 1968 . 1 1 15 ARG HE H 12.798 -0.714 -4.181 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 5 . 1969 . 1 1 15 ARG HG2 H 13.497 -3.605 -2.396 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1970 . 1 1 15 ARG HG3 H 13.822 -2.815 -0.860 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 1971 . 1 1 15 ARG HH11 H 11.706 -3.652 -2.711 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 5 . 1972 . 1 1 15 ARG HH12 H 11.042 -4.303 -4.172 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 5 . 1973 . 1 1 15 ARG HH21 H 11.862 -1.546 -6.098 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 5 . 1974 . 1 1 15 ARG HH22 H 11.128 -3.115 -6.082 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 5 . 1975 . 1 1 15 ARG N N 14.959 -3.405 -4.610 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 5 . 1976 . 1 1 15 ARG NE N 12.508 -1.505 -3.691 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 5 . 1977 . 1 1 15 ARG NH1 N 11.513 -3.565 -3.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 5 . 1978 . 1 1 15 ARG NH2 N 11.601 -2.375 -5.602 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 5 . 1979 . 1 1 15 ARG O O 17.445 -2.627 -4.966 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 5 . 1980 . 1 1 16 VAL C C 14.222 -3.408 -5.714 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 5 . 1981 . 1 1 16 VAL CA C 13.920 -4.775 -6.326 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 5 . 1982 . 1 1 16 VAL CB C 14.339 -4.767 -7.808 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 5 . 1983 . 1 1 16 VAL CG1 C 13.497 -3.749 -8.598 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 5 . 1984 . 1 1 16 VAL CG2 C 15.822 -4.390 -7.903 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 5 . 1985 . 1 1 16 VAL H H 11.906 -4.483 -5.733 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 5 . 1986 . 1 1 16 VAL HA H 14.503 -5.522 -5.808 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 5 . 1987 . 1 1 16 VAL HB H 14.199 -5.750 -8.229 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 5 . 1988 . 1 1 16 VAL HG11 H 13.940 -2.766 -8.527 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 5 . 1989 . 1 1 16 VAL HG12 H 12.492 -3.718 -8.198 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 5 . 1990 . 1 1 16 VAL HG13 H 13.456 -4.047 -9.636 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 5 . 1991 . 1 1 16 VAL HG21 H 15.942 -3.338 -7.687 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 5 . 1992 . 1 1 16 VAL HG22 H 16.183 -4.596 -8.900 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 5 . 1993 . 1 1 16 VAL HG23 H 16.389 -4.970 -7.189 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 5 . 1994 . 1 1 16 VAL N N 12.502 -5.111 -6.191 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 5 . 1995 . 1 1 16 VAL O O 13.825 -2.374 -6.246 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 5 . 1996 . 1 1 17 . C11 C 9.682 -7.418 -9.085 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 5 . 1997 . 1 1 17 . C12 C 10.048 -5.964 -8.837 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 5 . 1998 . 1 1 17 . C13 C 9.720 -5.595 -7.400 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 5 . 1999 . 1 1 17 . C14 C 10.513 -6.474 -6.445 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 5 . 2000 . 1 1 17 . C15 C 12.011 -6.234 -6.649 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 5 . 2001 . 1 1 17 . C7 C 10.954 -8.814 -5.735 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 5 . 2002 . 1 1 17 . C8 C 10.158 -7.933 -6.699 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 5 . 2003 . 1 1 17 . C9 C 10.464 -8.316 -8.139 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 5 . 2004 . 1 1 17 . H111 H 9.924 -7.689 -10.113 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 5 . 2005 . 1 1 17 . H112 H 8.613 -7.558 -8.918 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 5 . 2006 . 1 1 17 . H12 H 9.475 -5.334 -9.518 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 5 . 2007 . 1 1 17 . H14 H 10.250 -6.211 -5.421 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 5 . 2008 . 1 1 17 . H8 H 9.094 -8.080 -6.514 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 5 . 2009 . 1 1 17 . H9 H 11.532 -8.214 -8.330 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 5 . 2010 . 1 1 17 . HAG H 11.112 -5.816 -9.018 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 5 . 2011 . 1 1 17 . HAI H 10.168 -9.350 -8.308 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 5 . 2012 . 1 1 17 . HAK H 9.973 -4.549 -7.223 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 5 . 2013 . 1 1 17 . HAL H 8.653 -5.741 -7.232 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 5 . 2014 . 1 1 17 . O1 O 10.443 -9.192 -4.683 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 5 . 2015 . 1 1 17 . OAB O 12.711 -7.077 -7.206 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 5 . 2016 . 1 1 18 GLY C C 13.014 -9.360 -3.782 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 5 . 2017 . 1 1 18 GLY CA C 13.015 -9.940 -5.190 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 5 . 2018 . 1 1 18 GLY H H 12.552 -8.791 -6.909 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 5 . 2019 . 1 1 18 GLY HA2 H 12.627 -10.949 -5.166 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 5 . 2020 . 1 1 18 GLY HA3 H 14.027 -9.954 -5.567 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 5 . 2021 . 1 1 18 GLY N N 12.182 -9.123 -6.066 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 5 . 2022 . 1 1 18 GLY O O 12.048 -9.530 -3.038 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 5 . 2023 . 1 1 19 VAL C C 15.008 -6.766 -2.157 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 5 . 2024 . 1 1 19 VAL CA C 14.167 -8.036 -2.098 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 5 . 2025 . 1 1 19 VAL CB C 14.764 -9.020 -1.072 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 5 . 2026 . 1 1 19 VAL CG1 C 14.812 -8.372 0.332 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 5 . 2027 . 1 1 19 VAL CG2 C 13.902 -10.290 -1.019 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 5 . 2028 . 1 1 19 VAL H H 14.822 -8.534 -4.056 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 5 . 2029 . 1 1 19 VAL HA H 13.173 -7.759 -1.782 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 5 . 2030 . 1 1 19 VAL HB H 15.766 -9.284 -1.377 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 5 . 2031 . 1 1 19 VAL HG11 H 14.714 -9.137 1.092 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 5 . 2032 . 1 1 19 VAL HG12 H 14.002 -7.664 0.438 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 5 . 2033 . 1 1 19 VAL HG13 H 15.752 -7.861 0.469 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 5 . 2034 . 1 1 19 VAL HG21 H 14.036 -10.857 -1.929 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 5 . 2035 . 1 1 19 VAL HG22 H 12.864 -10.018 -0.911 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 5 . 2036 . 1 1 19 VAL HG23 H 14.205 -10.892 -0.174 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 5 . 2037 . 1 1 19 VAL N N 14.086 -8.655 -3.421 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 5 . 2038 . 1 1 19 VAL O O 14.572 -5.751 -2.701 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 5 . 2039 . 1 1 20 THR C C 18.548 -6.083 -1.574 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 5 . 2040 . 1 1 20 THR CA C 17.084 -5.653 -1.568 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 5 . 2041 . 1 1 20 THR CB C 16.797 -4.804 -0.318 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 5 . 2042 . 1 1 20 THR CG2 C 17.637 -3.508 -0.330 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 5 . 2043 . 1 1 20 THR H H 16.491 -7.649 -1.156 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 5 . 2044 . 1 1 20 THR HA H 16.901 -5.057 -2.448 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 5 . 2045 . 1 1 20 THR HB H 17.024 -5.378 0.569 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 5 . 2046 . 1 1 20 THR HG1 H 14.956 -5.066 0.256 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 5 . 2047 . 1 1 20 THR HG21 H 16.995 -2.671 -0.087 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 5 . 2048 . 1 1 20 THR HG22 H 18.062 -3.346 -1.314 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 5 . 2049 . 1 1 20 THR HG23 H 18.432 -3.575 0.398 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 5 . 2050 . 1 1 20 THR N N 16.204 -6.819 -1.585 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 5 . 2051 . 1 1 20 THR O O 18.882 -7.183 -1.133 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 5 . 2052 . 1 1 20 THR OG1 O 15.421 -4.447 -0.311 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 5 . 2053 . 1 1 21 ILE C C 21.628 -4.648 -1.159 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 5 . 2054 . 1 1 21 ILE CA C 20.851 -5.507 -2.158 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 5 . 2055 . 1 1 21 ILE CB C 21.356 -5.237 -3.579 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 5 . 2056 . 1 1 21 ILE CD1 C 23.326 -5.341 -5.113 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 5 . 2057 . 1 1 21 ILE CG1 C 22.849 -5.568 -3.678 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 5 . 2058 . 1 1 21 ILE CG2 C 21.142 -3.762 -3.924 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 5 . 2059 . 1 1 21 ILE H H 19.089 -4.353 -2.428 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 5 . 2060 . 1 1 21 ILE HA H 21.018 -6.551 -1.924 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 5 . 2061 . 1 1 21 ILE HB H 20.803 -5.851 -4.277 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 5 . 2062 . 1 1 21 ILE HD11 H 24.338 -5.702 -5.218 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 5 . 2063 . 1 1 21 ILE HD12 H 23.293 -4.285 -5.341 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 5 . 2064 . 1 1 21 ILE HD13 H 22.681 -5.875 -5.795 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 5 . 2065 . 1 1 21 ILE HG12 H 23.408 -4.928 -3.009 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 5 . 2066 . 1 1 21 ILE HG13 H 23.008 -6.600 -3.407 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 5 . 2067 . 1 1 21 ILE HG21 H 20.147 -3.464 -3.628 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 5 . 2068 . 1 1 21 ILE HG22 H 21.258 -3.621 -4.989 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 5 . 2069 . 1 1 21 ILE HG23 H 21.868 -3.160 -3.400 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 5 . 2070 . 1 1 21 ILE N N 19.418 -5.211 -2.086 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 5 . 2071 . 1 1 21 ILE O O 21.404 -3.443 -1.045 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 5 . 2072 . 1 1 22 ARG C C 24.852 -4.742 0.191 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 5 . 2073 . 1 1 22 ARG CA C 23.380 -4.648 0.579 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 5 . 2074 . 1 1 22 ARG CB C 23.179 -5.393 1.918 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 5 . 2075 . 1 1 22 ARG CD C 21.367 -3.961 3.183 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 5 . 2076 . 1 1 22 ARG CG C 21.727 -5.279 2.421 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 5 . 2077 . 1 1 22 ARG CZ C 22.948 -2.215 2.464 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 5 . 2078 . 1 1 22 ARG H H 22.653 -6.263 -0.584 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 5 . 2079 . 1 1 22 ARG HA H 23.096 -3.631 0.667 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 5 . 2080 . 1 1 22 ARG HB2 H 23.412 -6.437 1.765 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 2081 . 1 1 22 ARG HB3 H 23.850 -4.998 2.658 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 2082 . 1 1 22 ARG HD2 H 20.307 -3.964 3.363 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 2083 . 1 1 22 ARG HD3 H 21.865 -3.992 4.144 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 2084 . 1 1 22 ARG HE H 20.983 -2.195 2.084 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 5 . 2085 . 1 1 22 ARG HG2 H 21.070 -5.359 1.570 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 2086 . 1 1 22 ARG HG3 H 21.530 -6.116 3.078 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 2087 . 1 1 22 ARG HH11 H 23.699 -3.556 3.743 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 5 . 2088 . 1 1 22 ARG HH12 H 24.831 -2.411 3.104 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 5 . 2089 . 1 1 22 ARG HH21 H 22.471 -0.681 1.274 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 5 . 2090 . 1 1 22 ARG HH22 H 24.140 -0.795 1.713 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 5 . 2091 . 1 1 22 ARG N N 22.541 -5.302 -0.435 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 5 . 2092 . 1 1 22 ARG NE N 21.697 -2.688 2.529 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 5 . 2093 . 1 1 22 ARG NH1 N 23.900 -2.771 3.157 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 5 . 2094 . 1 1 22 ARG NH2 N 23.205 -1.147 1.763 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 5 . 2095 . 1 1 22 ARG O O 25.360 -5.841 -0.033 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 5 . 2096 . 1 1 23 GLU C C 27.799 -2.588 0.524 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 5 . 2097 . 1 1 23 GLU CA C 26.990 -3.656 -0.217 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 5 . 2098 . 1 1 23 GLU CB C 27.182 -3.589 -1.748 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 5 . 2099 . 1 1 23 GLU CD C 27.491 -1.114 -1.820 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 5 . 2100 . 1 1 23 GLU CG C 26.649 -2.277 -2.322 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 5 . 2101 . 1 1 23 GLU H H 25.118 -2.741 0.324 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 5 . 2102 . 1 1 23 GLU HA H 27.370 -4.599 0.118 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 5 . 2103 . 1 1 23 GLU HB2 H 28.235 -3.671 -1.975 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 2104 . 1 1 23 GLU HB3 H 26.658 -4.416 -2.206 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 2105 . 1 1 23 GLU HG2 H 26.696 -2.314 -3.400 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 2106 . 1 1 23 GLU HG3 H 25.626 -2.144 -2.013 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 2107 . 1 1 23 GLU N N 25.557 -3.605 0.130 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 5 . 2108 . 1 1 23 GLU O O 27.239 -1.669 1.121 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 5 . 2109 . 1 1 23 GLU OE1 O 28.672 -1.103 -2.126 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 5 . 2110 . 1 1 23 GLU OE2 O 26.970 -0.290 -1.095 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 5 . 2111 . 1 1 24 LYS C C 30.200 -0.579 0.358 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 5 . 2112 . 1 1 24 LYS CA C 30.025 -1.839 1.172 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 5 . 2113 . 1 1 24 LYS CB C 31.383 -2.511 1.381 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 5 . 2114 . 1 1 24 LYS CD C 32.507 -4.541 2.443 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 5 . 2115 . 1 1 24 LYS CE C 33.537 -3.701 3.214 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 5 . 2116 . 1 1 24 LYS CG C 31.185 -3.774 2.233 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 5 . 2117 . 1 1 24 LYS H H 29.503 -3.485 0.017 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 5 . 2118 . 1 1 24 LYS HA H 29.614 -1.591 2.136 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 5 . 2119 . 1 1 24 LYS HB2 H 31.808 -2.775 0.423 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 5 . 2120 . 1 1 24 LYS HB3 H 32.030 -1.823 1.891 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 5 . 2121 . 1 1 24 LYS HD2 H 32.305 -5.444 3.000 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 5 . 2122 . 1 1 24 LYS HD3 H 32.917 -4.806 1.480 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 5 . 2123 . 1 1 24 LYS HE2 H 34.424 -4.297 3.372 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 5 . 2124 . 1 1 24 LYS HE3 H 33.803 -2.822 2.656 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 5 . 2125 . 1 1 24 LYS HG2 H 30.790 -3.488 3.196 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 5 . 2126 . 1 1 24 LYS HG3 H 30.476 -4.422 1.742 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 5 . 2127 . 1 1 24 LYS HZ1 H 32.384 -2.465 4.430 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 5 . 2128 . 1 1 24 LYS HZ2 H 33.749 -3.119 5.202 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 5 . 2129 . 1 1 24 LYS HZ3 H 32.389 -4.093 4.906 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 5 . 2130 . 1 1 24 LYS N N 29.125 -2.744 0.497 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 5 . 2131 . 1 1 24 LYS NZ N 32.973 -3.315 4.538 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 5 . 2132 . 1 1 24 LYS O O 31.320 -0.111 0.158 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 5 . 2133 . 1 1 25 NH2 HN1 H 29.230 0.878 -0.561 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 5 . 2134 . 1 1 25 NH2 HN2 H 28.253 -0.351 0.068 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 5 . 2135 . 1 1 25 NH2 N N 29.142 0.029 -0.091 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 6 . 2136 . 1 1 1 ACE C C 10.715 0.671 -0.768 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 6 . 2137 . 1 1 1 ACE CH3 C 10.082 -0.716 -0.722 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 6 . 2138 . 1 1 1 ACE H1 H 10.036 -1.123 -1.719 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 6 . 2139 . 1 1 1 ACE H2 H 9.085 -0.643 -0.314 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 6 . 2140 . 1 1 1 ACE H3 H 10.680 -1.363 -0.097 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 6 . 2141 . 1 1 1 ACE O O 10.028 1.670 -0.982 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 6 . 2142 . 1 1 2 GLU C C 14.235 1.778 -0.825 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 6 . 2143 . 1 1 2 GLU CA C 12.743 1.995 -0.580 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 6 . 2144 . 1 1 2 GLU CB C 12.526 2.737 0.742 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 6 . 2145 . 1 1 2 GLU CD C 12.809 2.618 3.225 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 6 . 2146 . 1 1 2 GLU CG C 13.033 1.885 1.906 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 6 . 2147 . 1 1 2 GLU H H 12.522 -0.105 -0.395 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 6 . 2148 . 1 1 2 GLU HA H 12.349 2.602 -1.382 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 6 . 2149 . 1 1 2 GLU HB2 H 13.068 3.673 0.719 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2150 . 1 1 2 GLU HB3 H 11.474 2.935 0.874 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2151 . 1 1 2 GLU HG2 H 12.500 0.947 1.923 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2152 . 1 1 2 GLU HG3 H 14.087 1.696 1.780 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2153 . 1 1 2 GLU N N 12.027 0.724 -0.564 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 6 . 2154 . 1 1 2 GLU O O 14.712 0.640 -0.896 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 6 . 2155 . 1 1 2 GLU OE1 O 13.346 3.704 3.374 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2156 . 1 1 2 GLU OE2 O 12.105 2.084 4.064 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2157 . 1 1 3 ARG C C 17.150 3.566 -0.119 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 6 . 2158 . 1 1 3 ARG CA C 16.411 2.826 -1.234 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 6 . 2159 . 1 1 3 ARG CB C 16.836 3.499 -2.565 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 6 . 2160 . 1 1 3 ARG CD C 14.680 3.151 -3.922 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 6 . 2161 . 1 1 3 ARG CG C 16.195 2.898 -3.843 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 6 . 2162 . 1 1 3 ARG CZ C 14.156 1.371 -5.510 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 6 . 2163 . 1 1 3 ARG H H 14.529 3.762 -0.938 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 6 . 2164 . 1 1 3 ARG HA H 16.733 1.790 -1.233 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 6 . 2165 . 1 1 3 ARG HB2 H 16.570 4.542 -2.517 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2166 . 1 1 3 ARG HB3 H 17.911 3.427 -2.652 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2167 . 1 1 3 ARG HD2 H 14.182 2.637 -3.136 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2168 . 1 1 3 ARG HD3 H 14.488 4.211 -3.836 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2169 . 1 1 3 ARG HE H 13.775 3.307 -5.831 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 6 . 2170 . 1 1 3 ARG HG2 H 16.668 3.338 -4.709 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2171 . 1 1 3 ARG HG3 H 16.377 1.835 -3.851 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2172 . 1 1 3 ARG HH11 H 14.932 0.777 -3.765 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 6 . 2173 . 1 1 3 ARG HH12 H 14.607 -0.483 -4.909 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 6 . 2174 . 1 1 3 ARG HH21 H 13.347 1.660 -7.317 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 6 . 2175 . 1 1 3 ARG HH22 H 13.711 0.015 -6.914 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 6 . 2176 . 1 1 3 ARG N N 14.968 2.888 -0.984 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 6 . 2177 . 1 1 3 ARG NE N 14.143 2.663 -5.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 6 . 2178 . 1 1 3 ARG NH1 N 14.600 0.486 -4.662 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 6 . 2179 . 1 1 3 ARG NH2 N 13.703 0.985 -6.670 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 6 . 2180 . 1 1 3 ARG O O 16.592 4.455 0.522 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 6 . 2181 . 1 1 4 PHE C C 20.646 4.111 0.546 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 6 . 2182 . 1 1 4 PHE CA C 19.245 3.867 1.110 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 6 . 2183 . 1 1 4 PHE CB C 19.318 2.985 2.363 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 6 . 2184 . 1 1 4 PHE CD1 C 19.723 4.897 3.972 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2185 . 1 1 4 PHE CD2 C 21.301 3.053 3.932 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2186 . 1 1 4 PHE CE1 C 20.475 5.517 4.977 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2187 . 1 1 4 PHE CE2 C 22.051 3.677 4.937 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2188 . 1 1 4 PHE CG C 20.135 3.663 3.445 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 6 . 2189 . 1 1 4 PHE CZ C 21.639 4.907 5.458 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 6 . 2190 . 1 1 4 PHE H H 18.817 2.508 -0.467 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 6 . 2191 . 1 1 4 PHE HA H 18.804 4.819 1.370 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 6 . 2192 . 1 1 4 PHE HB2 H 18.319 2.802 2.730 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2193 . 1 1 4 PHE HB3 H 19.779 2.045 2.103 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2194 . 1 1 4 PHE HD1 H 18.825 5.371 3.605 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2195 . 1 1 4 PHE HD2 H 21.622 2.103 3.532 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2196 . 1 1 4 PHE HE1 H 20.157 6.467 5.380 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2197 . 1 1 4 PHE HE2 H 22.950 3.206 5.309 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2198 . 1 1 4 PHE HZ H 22.218 5.387 6.234 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 6 . 2199 . 1 1 4 PHE N N 18.421 3.211 0.088 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 6 . 2200 . 1 1 4 PHE O O 21.331 3.173 0.138 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 6 . 2201 . 1 1 5 TYR C C 23.088 6.772 0.825 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 6 . 2202 . 1 1 5 TYR CA C 22.369 5.753 -0.052 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 6 . 2203 . 1 1 5 TYR CB C 22.174 6.349 -1.451 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 6 . 2204 . 1 1 5 TYR CD1 C 24.533 5.874 -2.235 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2205 . 1 1 5 TYR CD2 C 23.710 8.153 -2.340 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2206 . 1 1 5 TYR CE1 C 25.759 6.295 -2.762 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2207 . 1 1 5 TYR CE2 C 24.937 8.572 -2.867 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2208 . 1 1 5 TYR CG C 23.506 6.800 -2.021 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 6 . 2209 . 1 1 5 TYR CZ C 25.962 7.643 -3.079 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 6 . 2210 . 1 1 5 TYR H H 20.457 6.088 0.818 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 6 . 2211 . 1 1 5 TYR HA H 22.986 4.871 -0.137 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 6 . 2212 . 1 1 5 TYR HB2 H 21.743 5.600 -2.100 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2213 . 1 1 5 TYR HB3 H 21.502 7.193 -1.388 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2214 . 1 1 5 TYR HD1 H 24.381 4.838 -1.994 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2215 . 1 1 5 TYR HD2 H 22.921 8.871 -2.176 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2216 . 1 1 5 TYR HE1 H 26.550 5.578 -2.927 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2217 . 1 1 5 TYR HE2 H 25.093 9.612 -3.110 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2218 . 1 1 5 TYR HH H 27.490 7.369 -4.189 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 6 . 2219 . 1 1 5 TYR N N 21.056 5.381 0.497 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 6 . 2220 . 1 1 5 TYR O O 22.541 7.828 1.141 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 6 . 2221 . 1 1 5 TYR OH O 27.171 8.056 -3.599 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 6 . 2222 . 1 1 6 GLU C C 26.621 7.051 1.921 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 6 . 2223 . 1 1 6 GLU CA C 25.121 7.363 2.022 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 6 . 2224 . 1 1 6 GLU CB C 24.639 7.309 3.482 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 6 . 2225 . 1 1 6 GLU CD C 25.443 9.674 3.971 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 6 . 2226 . 1 1 6 GLU CG C 25.497 8.202 4.391 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 6 . 2227 . 1 1 6 GLU H H 24.723 5.605 0.913 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 6 . 2228 . 1 1 6 GLU HA H 24.960 8.360 1.647 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 6 . 2229 . 1 1 6 GLU HB2 H 23.615 7.648 3.526 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2230 . 1 1 6 GLU HB3 H 24.685 6.296 3.843 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2231 . 1 1 6 GLU HG2 H 25.137 8.114 5.403 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2232 . 1 1 6 GLU HG3 H 26.517 7.859 4.351 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2233 . 1 1 6 GLU N N 24.330 6.456 1.201 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 6 . 2234 . 1 1 6 GLU O O 27.042 5.891 1.766 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 6 . 2235 . 1 1 6 GLU OE1 O 25.871 9.984 2.873 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2236 . 1 1 6 GLU OE2 O 24.970 10.472 4.763 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2237 . 1 1 7 LYS C C 29.481 8.268 3.319 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 6 . 2238 . 1 1 7 LYS CA C 28.880 7.994 1.947 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 6 . 2239 . 1 1 7 LYS CB C 29.440 9.002 0.940 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 6 . 2240 . 1 1 7 LYS CD C 29.413 9.661 -1.523 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 6 . 2241 . 1 1 7 LYS CE C 29.080 11.133 -1.233 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 6 . 2242 . 1 1 7 LYS CG C 28.839 8.718 -0.445 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 6 . 2243 . 1 1 7 LYS H H 27.026 8.999 2.138 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 6 . 2244 . 1 1 7 LYS HA H 29.153 6.996 1.634 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 6 . 2245 . 1 1 7 LYS HB2 H 29.170 9.991 1.265 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2246 . 1 1 7 LYS HB3 H 30.515 8.912 0.894 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2247 . 1 1 7 LYS HD2 H 30.486 9.545 -1.556 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2248 . 1 1 7 LYS HD3 H 29.000 9.390 -2.483 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2249 . 1 1 7 LYS HE2 H 29.533 11.448 -0.310 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2250 . 1 1 7 LYS HE3 H 29.467 11.743 -2.036 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 6 . 2251 . 1 1 7 LYS HG2 H 29.057 7.697 -0.719 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2252 . 1 1 7 LYS HG3 H 27.768 8.848 -0.396 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2253 . 1 1 7 LYS HZ1 H 27.139 10.555 -1.715 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 6 . 2254 . 1 1 7 LYS HZ2 H 27.343 12.234 -1.554 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 6 . 2255 . 1 1 7 LYS HZ3 H 27.291 11.246 -0.173 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 6 . 2256 . 1 1 7 LYS N N 27.425 8.112 2.015 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 6 . 2257 . 1 1 7 LYS NZ N 27.602 11.306 -1.163 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 6 . 2258 . 1 1 7 LYS O O 29.104 9.224 3.996 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 6 . 2259 . 1 1 8 . CAA C 32.156 6.535 6.966 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 6 . 2260 . 1 1 8 . CAB C 30.013 5.615 6.095 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 6 . 2261 . 1 1 8 . CAE C 31.012 7.636 5.057 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 6 . 2262 . 1 1 8 . CAF C 31.331 6.287 5.702 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 6 . 2263 . 1 1 8 . HAA H 32.947 7.252 6.750 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 6 . 2264 . 1 1 8 . HAB H 32.598 5.596 7.301 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 6 . 2265 . 1 1 8 . HAC H 31.511 6.932 7.751 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 6 . 2266 . 1 1 8 . HAD H 29.199 6.331 5.992 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 6 . 2267 . 1 1 8 . HAE H 30.071 5.273 7.128 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 6 . 2268 . 1 1 8 . HAF H 29.835 4.760 5.441 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 6 . 2269 . 1 1 8 . HAG H 30.323 8.181 5.702 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 6 . 2270 . 1 1 8 . HAH H 31.931 8.212 4.945 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 6 . 2271 . 1 1 8 . HAI H 30.672 6.671 3.163 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 6 . 2272 . 1 1 8 . HAL H 32.563 5.882 4.000 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 6 . 2273 . 1 1 8 . NAC N 30.395 7.442 3.737 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 6 . 2274 . 1 1 8 . NAD N 32.084 5.445 4.761 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 6 . 2275 . 1 1 9 DPR C C 32.159 4.147 4.892 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 6 . 2276 . 1 1 9 DPR CA C 32.998 3.446 3.825 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 6 . 2277 . 1 1 9 DPR CB C 33.945 2.410 4.464 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 6 . 2278 . 1 1 9 DPR CD C 32.616 1.254 2.778 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 6 . 2279 . 1 1 9 DPR CG C 33.960 1.247 3.516 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 6 . 2280 . 1 1 9 DPR HA H 33.583 4.177 3.288 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 6 . 2281 . 1 1 9 DPR HB2 H 34.941 2.829 4.570 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2282 . 1 1 9 DPR HB3 H 33.575 2.097 5.434 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2283 . 1 1 9 DPR HD2 H 32.753 0.947 1.751 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2284 . 1 1 9 DPR HD3 H 31.906 0.610 3.273 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2285 . 1 1 9 DPR HG2 H 34.775 1.360 2.807 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2286 . 1 1 9 DPR HG3 H 34.073 0.320 4.059 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2287 . 1 1 9 DPR N N 32.165 2.658 2.854 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 6 . 2288 . 1 1 9 DPR O O 31.615 3.517 5.799 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 6 . 2289 . 1 1 10 VAL C C 31.161 3.210 2.182 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 6 . 2290 . 1 1 10 VAL CA C 30.355 2.354 1.178 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 6 . 2291 . 1 1 10 VAL CB C 30.799 2.685 -0.259 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 6 . 2292 . 1 1 10 VAL CG1 C 32.288 2.375 -0.469 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2293 . 1 1 10 VAL CG2 C 29.973 1.855 -1.242 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2294 . 1 1 10 VAL H H 28.605 3.580 1.351 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 6 . 2295 . 1 1 10 VAL HA H 30.522 1.298 1.357 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 6 . 2296 . 1 1 10 VAL HB H 30.626 3.735 -0.449 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 6 . 2297 . 1 1 10 VAL HG11 H 32.873 2.792 0.334 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 6 . 2298 . 1 1 10 VAL HG12 H 32.611 2.806 -1.405 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 6 . 2299 . 1 1 10 VAL HG13 H 32.430 1.305 -0.505 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 6 . 2300 . 1 1 10 VAL HG21 H 28.945 2.186 -1.218 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 6 . 2301 . 1 1 10 VAL HG22 H 30.022 0.813 -0.963 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 6 . 2302 . 1 1 10 VAL HG23 H 30.368 1.979 -2.239 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 6 . 2303 . 1 1 10 VAL N N 28.914 2.642 1.290 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 6 . 2304 . 1 1 10 VAL O O 30.876 4.398 2.335 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 6 . 2305 . 1 1 11 GLN C C 28.013 1.653 1.284 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 6 . 2306 . 1 1 11 GLN CA C 26.556 2.067 1.372 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 6 . 2307 . 1 1 11 GLN CB C 25.999 1.745 2.766 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 6 . 2308 . 1 1 11 GLN CD C 24.347 3.643 2.653 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 6 . 2309 . 1 1 11 GLN CG C 24.516 2.137 2.834 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 6 . 2310 . 1 1 11 GLN H H 25.886 0.381 0.257 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 6 . 2311 . 1 1 11 GLN HA H 26.500 3.123 1.193 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 6 . 2312 . 1 1 11 GLN HB2 H 26.101 0.687 2.958 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2313 . 1 1 11 GLN HB3 H 26.550 2.301 3.510 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2314 . 1 1 11 GLN HE21 H 26.288 4.020 2.723 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 6 . 2315 . 1 1 11 GLN HE22 H 25.293 5.370 2.492 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 6 . 2316 . 1 1 11 GLN HG2 H 23.976 1.622 2.052 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2317 . 1 1 11 GLN HG3 H 24.114 1.846 3.793 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2318 . 1 1 11 GLN N N 25.772 1.359 0.357 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 6 . 2319 . 1 1 11 GLN NE2 N 25.394 4.409 2.624 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2320 . 1 1 11 GLN O O 28.320 0.470 1.191 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 6 . 2321 . 1 1 11 GLN OE1 O 23.225 4.142 2.600 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2322 . 1 1 12 LYS C C 24.901 2.011 -0.425 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 6 . 2323 . 1 1 12 LYS CA C 24.132 1.169 -1.442 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 6 . 2324 . 1 1 12 LYS CB C 24.221 1.816 -2.826 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 6 . 2325 . 1 1 12 LYS CD C 23.616 1.566 -5.238 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 6 . 2326 . 1 1 12 LYS CE C 22.902 0.686 -6.269 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 6 . 2327 . 1 1 12 LYS CG C 23.521 0.922 -3.852 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 6 . 2328 . 1 1 12 LYS H H 22.152 1.832 -1.108 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 6 . 2329 . 1 1 12 LYS HA H 24.574 0.191 -1.496 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 6 . 2330 . 1 1 12 LYS HB2 H 23.737 2.778 -2.803 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2331 . 1 1 12 LYS HB3 H 25.257 1.937 -3.104 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2332 . 1 1 12 LYS HD2 H 23.151 2.540 -5.214 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2333 . 1 1 12 LYS HD3 H 24.654 1.671 -5.516 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2334 . 1 1 12 LYS HE2 H 21.867 0.566 -5.986 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2335 . 1 1 12 LYS HE3 H 22.956 1.156 -7.240 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 6 . 2336 . 1 1 12 LYS HG2 H 23.998 -0.047 -3.869 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2337 . 1 1 12 LYS HG3 H 22.482 0.808 -3.581 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2338 . 1 1 12 LYS HZ1 H 23.480 -1.033 -7.292 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 6 . 2339 . 1 1 12 LYS HZ2 H 23.091 -1.297 -5.659 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 6 . 2340 . 1 1 12 LYS HZ3 H 24.563 -0.556 -6.078 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 6 . 2341 . 1 1 12 LYS N N 22.734 1.045 -1.046 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 6 . 2342 . 1 1 12 LYS NZ N 23.559 -0.651 -6.328 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 6 . 2343 . 1 1 12 LYS O O 24.706 3.227 -0.334 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 6 . 2344 . 1 1 13 PHE C C 22.225 -0.101 -0.602 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 6 . 2345 . 1 1 13 PHE CA C 20.751 -0.058 -0.228 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 6 . 2346 . 1 1 13 PHE CB C 20.591 -0.515 1.232 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 6 . 2347 . 1 1 13 PHE CD1 C 18.125 0.222 1.012 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2348 . 1 1 13 PHE CD2 C 18.856 -0.918 3.023 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2349 . 1 1 13 PHE CE1 C 16.843 0.323 1.538 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2350 . 1 1 13 PHE CE2 C 17.560 -0.809 3.544 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2351 . 1 1 13 PHE CG C 19.151 -0.409 1.749 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 6 . 2352 . 1 1 13 PHE CZ C 16.555 -0.190 2.795 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 6 . 2353 . 1 1 13 PHE H H 20.081 -1.910 -1.018 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 6 . 2354 . 1 1 13 PHE HA H 20.414 0.962 -0.322 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 6 . 2355 . 1 1 13 PHE HB2 H 20.908 -1.539 1.307 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2356 . 1 1 13 PHE HB3 H 21.232 0.091 1.857 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2357 . 1 1 13 PHE HD1 H 18.309 0.636 0.054 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2358 . 1 1 13 PHE HD2 H 19.629 -1.404 3.600 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2359 . 1 1 13 PHE HE1 H 16.069 0.801 0.967 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2360 . 1 1 13 PHE HE2 H 17.337 -1.202 4.525 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2361 . 1 1 13 PHE HZ H 15.558 -0.101 3.185 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 6 . 2362 . 1 1 13 PHE N N 19.977 -0.938 -1.113 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 6 . 2363 . 1 1 13 PHE O O 22.884 -1.137 -0.487 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 6 . 2364 . 1 1 14 ILE C C 19.117 -0.472 -2.022 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 6 . 2365 . 1 1 14 ILE CA C 18.378 -1.543 -2.819 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 6 . 2366 . 1 1 14 ILE CB C 18.831 -1.632 -4.305 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 6 . 2367 . 1 1 14 ILE CD1 C 19.291 0.865 -4.736 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2368 . 1 1 14 ILE CG1 C 18.486 -0.377 -5.147 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2369 . 1 1 14 ILE CG2 C 18.148 -2.833 -4.961 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2370 . 1 1 14 ILE H H 16.544 -0.450 -2.704 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 6 . 2371 . 1 1 14 ILE HA H 18.616 -2.493 -2.354 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 6 . 2372 . 1 1 14 ILE HB H 19.901 -1.790 -4.328 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 6 . 2373 . 1 1 14 ILE HD11 H 20.128 0.583 -4.114 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 6 . 2374 . 1 1 14 ILE HD12 H 18.655 1.557 -4.213 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 6 . 2375 . 1 1 14 ILE HD13 H 19.667 1.345 -5.627 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 6 . 2376 . 1 1 14 ILE HG12 H 18.687 -0.590 -6.186 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 6 . 2377 . 1 1 14 ILE HG13 H 17.432 -0.164 -5.034 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 6 . 2378 . 1 1 14 ILE HG21 H 18.235 -3.696 -4.321 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 6 . 2379 . 1 1 14 ILE HG22 H 18.621 -3.042 -5.910 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 6 . 2380 . 1 1 14 ILE HG23 H 17.105 -2.606 -5.122 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 6 . 2381 . 1 1 14 ILE N N 16.923 -1.360 -2.739 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 6 . 2382 . 1 1 14 ILE O O 18.890 0.722 -2.175 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 6 . 2383 . 1 1 15 ARG C C 16.103 -2.412 -2.711 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 6 . 2384 . 1 1 15 ARG CA C 14.610 -2.107 -2.635 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 6 . 2385 . 1 1 15 ARG CB C 14.080 -2.398 -1.223 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 6 . 2386 . 1 1 15 ARG CD C 13.661 -4.160 0.493 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 6 . 2387 . 1 1 15 ARG CG C 14.217 -3.889 -0.904 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 6 . 2388 . 1 1 15 ARG CZ C 11.552 -3.932 1.675 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 6 . 2389 . 1 1 15 ARG H H 14.330 -3.573 -4.143 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 6 . 2390 . 1 1 15 ARG HA H 14.461 -1.059 -2.844 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 6 . 2391 . 1 1 15 ARG HB2 H 14.650 -1.826 -0.506 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2392 . 1 1 15 ARG HB3 H 13.041 -2.114 -1.161 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2393 . 1 1 15 ARG HD2 H 13.774 -5.207 0.725 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2394 . 1 1 15 ARG HD3 H 14.209 -3.572 1.215 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2395 . 1 1 15 ARG HE H 11.803 -3.468 -0.256 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 6 . 2396 . 1 1 15 ARG HG2 H 13.666 -4.469 -1.631 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2397 . 1 1 15 ARG HG3 H 15.256 -4.173 -0.929 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2398 . 1 1 15 ARG HH11 H 13.103 -4.627 2.733 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 6 . 2399 . 1 1 15 ARG HH12 H 11.611 -4.474 3.601 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 6 . 2400 . 1 1 15 ARG HH21 H 9.844 -3.263 0.874 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 6 . 2401 . 1 1 15 ARG HH22 H 9.766 -3.701 2.549 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 6 . 2402 . 1 1 15 ARG N N 13.864 -2.890 -3.623 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 6 . 2403 . 1 1 15 ARG NE N 12.247 -3.806 0.550 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 6 . 2404 . 1 1 15 ARG NH1 N 12.134 -4.379 2.754 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 6 . 2405 . 1 1 15 ARG NH2 N 10.289 -3.607 1.702 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 6 . 2406 . 1 1 15 ARG O O 16.511 -3.569 -2.743 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 6 . 2407 . 1 1 16 VAL C C 12.561 -2.704 -3.811 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 6 . 2408 . 1 1 16 VAL CA C 11.881 -3.593 -4.858 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 6 . 2409 . 1 1 16 VAL CB C 10.710 -2.792 -5.486 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 6 . 2410 . 1 1 16 VAL CG1 C 10.060 -3.571 -6.640 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2411 . 1 1 16 VAL CG2 C 9.640 -2.476 -4.404 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2412 . 1 1 16 VAL H H 11.546 -4.900 -3.233 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 6 . 2413 . 1 1 16 VAL HA H 12.593 -3.829 -5.633 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 6 . 2414 . 1 1 16 VAL HB H 11.102 -1.862 -5.876 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 6 . 2415 . 1 1 16 VAL HG11 H 10.823 -4.078 -7.210 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 6 . 2416 . 1 1 16 VAL HG12 H 9.539 -2.879 -7.285 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 6 . 2417 . 1 1 16 VAL HG13 H 9.357 -4.283 -6.250 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 6 . 2418 . 1 1 16 VAL HG21 H 9.712 -3.190 -3.594 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 6 . 2419 . 1 1 16 VAL HG22 H 8.649 -2.530 -4.835 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 6 . 2420 . 1 1 16 VAL HG23 H 9.799 -1.480 -4.018 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 6 . 2421 . 1 1 16 VAL N N 11.436 -4.842 -4.199 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 6 . 2422 . 1 1 16 VAL O O 11.912 -1.874 -3.179 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 6 . 2423 . 1 1 17 . C11 C 8.077 -6.841 -5.045 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 6 . 2424 . 1 1 17 . C12 C 8.058 -6.967 -3.531 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 6 . 2425 . 1 1 17 . C13 C 9.436 -6.686 -2.948 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 6 . 2426 . 1 1 17 . C14 C 10.572 -7.067 -3.888 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 6 . 2427 . 1 1 17 . C15 C 10.939 -5.898 -4.808 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 6 . 2428 . 1 1 17 . C7 C 11.277 -8.922 -5.432 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 6 . 2429 . 1 1 17 . C8 C 10.112 -8.282 -4.677 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 6 . 2430 . 1 1 17 . C9 C 9.015 -7.874 -5.652 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 6 . 2431 . 1 1 17 . H111 H 8.417 -5.844 -5.322 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 6 . 2432 . 1 1 17 . H112 H 7.069 -6.996 -5.432 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 6 . 2433 . 1 1 17 . H12 H 7.754 -7.980 -3.267 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 6 . 2434 . 1 1 17 . H14 H 11.446 -7.336 -3.294 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 6 . 2435 . 1 1 17 . H8 H 9.701 -9.020 -3.986 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 6 . 2436 . 1 1 17 . H9 H 9.472 -7.465 -6.552 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 6 . 2437 . 1 1 17 . HAG H 7.341 -6.259 -3.116 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 6 . 2438 . 1 1 17 . HAI H 8.435 -8.756 -5.922 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 6 . 2439 . 1 1 17 . HAK H 9.512 -5.622 -2.721 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 6 . 2440 . 1 1 17 . HAL H 9.542 -7.249 -2.021 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 6 . 2441 . 1 1 17 . O1 O 11.490 -8.646 -6.611 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 6 . 2442 . 1 1 17 . OAB O 10.803 -5.984 -6.027 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 6 . 2443 . 1 1 18 GLY C C 14.276 -9.383 -5.578 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 6 . 2444 . 1 1 18 GLY CA C 13.173 -10.404 -5.366 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 6 . 2445 . 1 1 18 GLY H H 11.816 -9.931 -3.816 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 6 . 2446 . 1 1 18 GLY HA2 H 13.527 -11.190 -4.715 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 6 . 2447 . 1 1 18 GLY HA3 H 12.889 -10.824 -6.319 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 6 . 2448 . 1 1 18 GLY N N 12.025 -9.753 -4.757 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 6 . 2449 . 1 1 18 GLY O O 15.230 -9.619 -6.320 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 6 . 2450 . 1 1 19 VAL C C 15.765 -6.862 -3.692 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 6 . 2451 . 1 1 19 VAL CA C 15.100 -7.146 -5.036 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 6 . 2452 . 1 1 19 VAL CB C 14.386 -5.890 -5.518 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 6 . 2453 . 1 1 19 VAL CG1 C 15.394 -4.752 -5.673 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2454 . 1 1 19 VAL CG2 C 13.720 -6.163 -6.867 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2455 . 1 1 19 VAL H H 13.338 -8.103 -4.353 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 6 . 2456 . 1 1 19 VAL HA H 15.849 -7.402 -5.750 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 6 . 2457 . 1 1 19 VAL HB H 13.641 -5.617 -4.790 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 6 . 2458 . 1 1 19 VAL HG11 H 15.773 -4.476 -4.708 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 6 . 2459 . 1 1 19 VAL HG12 H 14.909 -3.900 -6.125 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 6 . 2460 . 1 1 19 VAL HG13 H 16.210 -5.077 -6.301 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 6 . 2461 . 1 1 19 VAL HG21 H 12.862 -6.799 -6.720 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 6 . 2462 . 1 1 19 VAL HG22 H 14.423 -6.656 -7.523 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 6 . 2463 . 1 1 19 VAL HG23 H 13.406 -5.232 -7.311 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 6 . 2464 . 1 1 19 VAL N N 14.126 -8.229 -4.920 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 6 . 2465 . 1 1 19 VAL O O 15.188 -6.191 -2.837 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 6 . 2466 . 1 1 20 THR C C 19.232 -7.112 -2.535 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 6 . 2467 . 1 1 20 THR CA C 17.727 -7.141 -2.273 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 6 . 2468 . 1 1 20 THR CB C 17.404 -8.256 -1.278 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 6 . 2469 . 1 1 20 THR CG2 C 15.904 -8.261 -0.977 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2470 . 1 1 20 THR H H 17.405 -7.881 -4.232 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 6 . 2471 . 1 1 20 THR HA H 17.429 -6.194 -1.844 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 6 . 2472 . 1 1 20 THR HB H 17.949 -8.089 -0.365 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 6 . 2473 . 1 1 20 THR HG1 H 17.037 -10.108 -1.751 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2474 . 1 1 20 THR HG21 H 15.711 -8.884 -0.116 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 6 . 2475 . 1 1 20 THR HG22 H 15.366 -8.649 -1.829 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 6 . 2476 . 1 1 20 THR HG23 H 15.574 -7.254 -0.772 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 6 . 2477 . 1 1 20 THR N N 16.988 -7.363 -3.514 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 6 . 2478 . 1 1 20 THR O O 19.745 -7.892 -3.338 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 6 . 2479 . 1 1 20 THR OG1 O 17.783 -9.508 -1.833 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2480 . 1 1 21 ILE C C 21.969 -5.165 -0.950 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 6 . 2481 . 1 1 21 ILE CA C 21.390 -6.128 -1.987 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 6 . 2482 . 1 1 21 ILE CB C 21.742 -5.648 -3.401 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 6 . 2483 . 1 1 21 ILE CD1 C 23.616 -5.161 -4.987 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 6 . 2484 . 1 1 21 ILE CG1 C 23.269 -5.599 -3.563 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 6 . 2485 . 1 1 21 ILE CG2 C 21.158 -4.247 -3.636 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2486 . 1 1 21 ILE H H 19.483 -5.639 -1.197 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 6 . 2487 . 1 1 21 ILE HA H 21.823 -7.106 -1.834 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 6 . 2488 . 1 1 21 ILE HB H 21.325 -6.333 -4.123 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 6 . 2489 . 1 1 21 ILE HD11 H 23.364 -4.119 -5.115 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 6 . 2490 . 1 1 21 ILE HD12 H 23.055 -5.757 -5.693 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 6 . 2491 . 1 1 21 ILE HD13 H 24.672 -5.301 -5.158 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 6 . 2492 . 1 1 21 ILE HG12 H 23.687 -4.893 -2.861 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 6 . 2493 . 1 1 21 ILE HG13 H 23.682 -6.579 -3.380 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 6 . 2494 . 1 1 21 ILE HG21 H 21.051 -4.077 -4.697 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 6 . 2495 . 1 1 21 ILE HG22 H 21.818 -3.499 -3.219 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 6 . 2496 . 1 1 21 ILE HG23 H 20.190 -4.174 -3.162 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 6 . 2497 . 1 1 21 ILE N N 19.940 -6.225 -1.835 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 6 . 2498 . 1 1 21 ILE O O 21.633 -3.982 -0.929 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 6 . 2499 . 1 1 22 ARG C C 24.947 -4.577 0.565 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 6 . 2500 . 1 1 22 ARG CA C 23.489 -4.858 0.935 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 6 . 2501 . 1 1 22 ARG CB C 23.514 -5.627 2.265 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 6 . 2502 . 1 1 22 ARG CD C 21.243 -4.819 3.153 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 6 . 2503 . 1 1 22 ARG CG C 22.119 -6.036 2.792 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 6 . 2504 . 1 1 22 ARG CZ C 19.982 -4.563 1.085 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 6 . 2505 . 1 1 22 ARG H H 23.098 -6.624 -0.177 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 6 . 2506 . 1 1 22 ARG HA H 22.962 -3.927 1.063 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 6 . 2507 . 1 1 22 ARG HB2 H 24.102 -6.522 2.131 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2508 . 1 1 22 ARG HB3 H 23.997 -5.008 3.007 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2509 . 1 1 22 ARG HD2 H 20.368 -5.166 3.676 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2510 . 1 1 22 ARG HD3 H 21.807 -4.176 3.817 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2511 . 1 1 22 ARG HE H 21.114 -3.120 1.897 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 6 . 2512 . 1 1 22 ARG HG2 H 21.621 -6.618 2.036 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2513 . 1 1 22 ARG HG3 H 22.247 -6.649 3.673 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2514 . 1 1 22 ARG HH11 H 19.858 -6.351 1.975 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 6 . 2515 . 1 1 22 ARG HH12 H 18.942 -6.175 0.516 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 6 . 2516 . 1 1 22 ARG HH21 H 19.857 -2.875 0.015 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 6 . 2517 . 1 1 22 ARG HH22 H 18.939 -4.214 -0.588 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 6 . 2518 . 1 1 22 ARG N N 22.857 -5.677 -0.103 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 6 . 2519 . 1 1 22 ARG NE N 20.812 -4.045 1.994 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 6 . 2520 . 1 1 22 ARG NH1 N 19.561 -5.792 1.202 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 6 . 2521 . 1 1 22 ARG NH2 N 19.560 -3.827 0.094 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 6 . 2522 . 1 1 22 ARG O O 25.727 -5.508 0.364 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 6 . 2523 . 1 1 23 GLU C C 27.333 -2.285 1.430 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 6 . 2524 . 1 1 23 GLU CA C 26.706 -2.916 0.192 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 6 . 2525 . 1 1 23 GLU CB C 26.739 -1.929 -0.972 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 6 . 2526 . 1 1 23 GLU CD C 28.962 -2.811 -1.740 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 6 . 2527 . 1 1 23 GLU CG C 28.185 -1.566 -1.324 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 6 . 2528 . 1 1 23 GLU H H 24.669 -2.589 0.691 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 6 . 2529 . 1 1 23 GLU HA H 27.269 -3.790 -0.073 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 6 . 2530 . 1 1 23 GLU HB2 H 26.257 -2.366 -1.833 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2531 . 1 1 23 GLU HB3 H 26.219 -1.040 -0.684 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2532 . 1 1 23 GLU HG2 H 28.185 -0.857 -2.137 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2533 . 1 1 23 GLU HG3 H 28.659 -1.123 -0.466 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2534 . 1 1 23 GLU N N 25.323 -3.294 0.505 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 6 . 2535 . 1 1 23 GLU O O 26.735 -1.408 2.057 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 6 . 2536 . 1 1 23 GLU OE1 O 28.557 -3.445 -2.700 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 6 . 2537 . 1 1 23 GLU OE2 O 29.951 -3.112 -1.091 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2538 . 1 1 24 LYS C C 29.946 -0.952 2.640 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 6 . 2539 . 1 1 24 LYS CA C 29.225 -2.245 2.960 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 6 . 2540 . 1 1 24 LYS CB C 30.246 -3.268 3.488 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 6 . 2541 . 1 1 24 LYS CD C 28.821 -5.293 2.891 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 6 . 2542 . 1 1 24 LYS CE C 28.297 -6.604 3.452 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 6 . 2543 . 1 1 24 LYS CG C 29.595 -4.566 3.993 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 6 . 2544 . 1 1 24 LYS H H 28.953 -3.437 1.246 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 6 . 2545 . 1 1 24 LYS HA H 28.500 -2.052 3.738 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 6 . 2546 . 1 1 24 LYS HB2 H 30.925 -3.522 2.692 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 6 . 2547 . 1 1 24 LYS HB3 H 30.803 -2.822 4.295 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 6 . 2548 . 1 1 24 LYS HD2 H 27.980 -4.700 2.582 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 6 . 2549 . 1 1 24 LYS HD3 H 29.467 -5.489 2.050 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 6 . 2550 . 1 1 24 LYS HE2 H 27.666 -6.393 4.298 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 6 . 2551 . 1 1 24 LYS HE3 H 27.730 -7.116 2.693 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 6 . 2552 . 1 1 24 LYS HG2 H 30.367 -5.221 4.367 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 6 . 2553 . 1 1 24 LYS HG3 H 28.918 -4.327 4.800 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 6 . 2554 . 1 1 24 LYS HZ1 H 29.628 -7.297 4.896 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 6 . 2555 . 1 1 24 LYS HZ2 H 30.286 -7.212 3.332 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 6 . 2556 . 1 1 24 LYS HZ3 H 29.203 -8.457 3.735 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 6 . 2557 . 1 1 24 LYS N N 28.530 -2.745 1.784 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 6 . 2558 . 1 1 24 LYS NZ N 29.440 -7.456 3.887 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 6 . 2559 . 1 1 24 LYS O O 30.911 -0.949 1.875 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 6 . 2560 . 1 1 25 NH2 HN1 H 30.008 0.996 3.018 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 6 . 2561 . 1 1 25 NH2 HN2 H 28.774 0.143 3.805 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 6 . 2562 . 1 1 25 NH2 N N 29.543 0.155 3.200 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 7 . 2563 . 1 1 1 ACE C C 11.229 1.054 -1.211 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 7 . 2564 . 1 1 1 ACE CH3 C 10.361 -0.045 -1.811 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 7 . 2565 . 1 1 1 ACE H1 H 10.531 -0.098 -2.877 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 7 . 2566 . 1 1 1 ACE H2 H 9.320 0.175 -1.625 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 7 . 2567 . 1 1 1 ACE H3 H 10.614 -0.993 -1.359 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 7 . 2568 . 1 1 1 ACE O O 11.366 2.134 -1.788 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 7 . 2569 . 1 1 2 GLU C C 14.116 1.627 0.148 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 7 . 2570 . 1 1 2 GLU CA C 12.668 1.745 0.634 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 7 . 2571 . 1 1 2 GLU CB C 12.581 1.524 2.147 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 7 . 2572 . 1 1 2 GLU CD C 12.898 -0.130 3.995 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 7 . 2573 . 1 1 2 GLU CG C 13.029 0.103 2.493 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 7 . 2574 . 1 1 2 GLU H H 11.662 -0.103 0.365 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 7 . 2575 . 1 1 2 GLU HA H 12.312 2.742 0.413 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 7 . 2576 . 1 1 2 GLU HB2 H 13.220 2.235 2.650 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2577 . 1 1 2 GLU HB3 H 11.562 1.666 2.472 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2578 . 1 1 2 GLU HG2 H 12.409 -0.607 1.964 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2579 . 1 1 2 GLU HG3 H 14.059 -0.031 2.198 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2580 . 1 1 2 GLU N N 11.812 0.774 -0.047 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 7 . 2581 . 1 1 2 GLU O O 14.620 0.527 -0.098 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 7 . 2582 . 1 1 2 GLU OE1 O 13.525 0.597 4.748 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2583 . 1 1 2 GLU OE2 O 12.171 -1.035 4.372 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2584 . 1 1 3 ARG C C 17.072 3.531 0.482 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 7 . 2585 . 1 1 3 ARG CA C 16.164 2.806 -0.512 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 7 . 2586 . 1 1 3 ARG CB C 16.314 3.541 -1.866 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 7 . 2587 . 1 1 3 ARG CD C 14.001 3.071 -2.898 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 7 . 2588 . 1 1 3 ARG CG C 15.524 2.916 -3.046 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 7 . 2589 . 1 1 3 ARG CZ C 13.366 1.216 -4.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 7 . 2590 . 1 1 3 ARG H H 14.320 3.627 0.161 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 7 . 2591 . 1 1 3 ARG HA H 16.523 1.790 -0.620 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 7 . 2592 . 1 1 3 ARG HB2 H 15.976 4.557 -1.738 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2593 . 1 1 3 ARG HB3 H 17.357 3.563 -2.119 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2594 . 1 1 3 ARG HD2 H 13.661 2.552 -2.039 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2595 . 1 1 3 ARG HD3 H 13.754 4.118 -2.805 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2596 . 1 1 3 ARG HE H 12.825 3.119 -4.661 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 7 . 2597 . 1 1 3 ARG HG2 H 15.832 3.395 -3.963 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2598 . 1 1 3 ARG HG3 H 15.766 1.869 -3.103 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2599 . 1 1 3 ARG HH11 H 14.405 0.728 -2.711 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 7 . 2600 . 1 1 3 ARG HH12 H 14.008 -0.587 -3.766 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 7 . 2601 . 1 1 3 ARG HH21 H 12.302 1.394 -6.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 7 . 2602 . 1 1 3 ARG HH22 H 12.820 -0.211 -5.644 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 7 . 2603 . 1 1 3 ARG N N 14.778 2.780 -0.025 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 7 . 2604 . 1 1 3 ARG NE N 13.316 2.517 -4.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 7 . 2605 . 1 1 3 ARG NH1 N 13.974 0.388 -3.547 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 7 . 2606 . 1 1 3 ARG NH2 N 12.784 0.765 -5.428 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 7 . 2607 . 1 1 3 ARG O O 16.613 4.374 1.253 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 7 . 2608 . 1 1 4 PHE C C 20.742 3.904 0.724 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 7 . 2609 . 1 1 4 PHE CA C 19.336 3.863 1.354 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 7 . 2610 . 1 1 4 PHE CB C 19.424 3.060 2.663 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 7 . 2611 . 1 1 4 PHE CD1 C 20.935 4.972 3.552 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2612 . 1 1 4 PHE CD2 C 20.521 3.011 4.924 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2613 . 1 1 4 PHE CE1 C 21.733 5.505 4.568 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2614 . 1 1 4 PHE CE2 C 21.326 3.551 5.934 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2615 . 1 1 4 PHE CG C 20.322 3.707 3.723 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 7 . 2616 . 1 1 4 PHE CZ C 21.933 4.796 5.755 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 7 . 2617 . 1 1 4 PHE H H 18.694 2.535 -0.192 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 7 . 2618 . 1 1 4 PHE HA H 18.996 4.863 1.567 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 7 . 2619 . 1 1 4 PHE HB2 H 18.433 2.949 3.073 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2620 . 1 1 4 PHE HB3 H 19.816 2.081 2.437 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2621 . 1 1 4 PHE HD1 H 20.794 5.543 2.658 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2622 . 1 1 4 PHE HD2 H 20.059 2.046 5.067 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2623 . 1 1 4 PHE HE1 H 22.197 6.472 4.432 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2624 . 1 1 4 PHE HE2 H 21.473 3.007 6.855 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2625 . 1 1 4 PHE HZ H 22.561 5.207 6.531 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 7 . 2626 . 1 1 4 PHE N N 18.377 3.210 0.450 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 7 . 2627 . 1 1 4 PHE O O 21.399 2.870 0.600 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 7 . 2628 . 1 1 5 TYR C C 23.441 6.149 0.771 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 7 . 2629 . 1 1 5 TYR CA C 22.586 5.285 -0.157 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 7 . 2630 . 1 1 5 TYR CB C 22.575 5.935 -1.549 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 7 . 2631 . 1 1 5 TYR CD1 C 20.665 4.563 -2.520 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2632 . 1 1 5 TYR CD2 C 22.797 4.597 -3.678 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2633 . 1 1 5 TYR CE1 C 20.155 3.714 -3.517 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2634 . 1 1 5 TYR CE2 C 22.284 3.752 -4.663 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2635 . 1 1 5 TYR CG C 21.991 5.007 -2.600 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 7 . 2636 . 1 1 5 TYR CZ C 20.964 3.311 -4.583 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 7 . 2637 . 1 1 5 TYR H H 20.675 5.903 0.553 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 7 . 2638 . 1 1 5 TYR HA H 23.058 4.315 -0.241 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 7 . 2639 . 1 1 5 TYR HB2 H 21.978 6.835 -1.509 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2640 . 1 1 5 TYR HB3 H 23.587 6.200 -1.822 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2641 . 1 1 5 TYR HD1 H 20.039 4.872 -1.697 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2642 . 1 1 5 TYR HD2 H 23.821 4.936 -3.745 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2643 . 1 1 5 TYR HE1 H 19.140 3.369 -3.464 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2644 . 1 1 5 TYR HE2 H 22.909 3.441 -5.488 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2645 . 1 1 5 TYR HH H 20.774 1.588 -5.383 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 7 . 2646 . 1 1 5 TYR N N 21.225 5.109 0.389 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 7 . 2647 . 1 1 5 TYR O O 23.086 7.286 1.083 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 7 . 2648 . 1 1 5 TYR OH O 20.455 2.478 -5.558 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 7 . 2649 . 1 1 6 GLU C C 26.729 6.774 1.222 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 7 . 2650 . 1 1 6 GLU CA C 25.527 6.336 2.047 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 7 . 2651 . 1 1 6 GLU CB C 26.056 5.491 3.224 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 7 . 2652 . 1 1 6 GLU CD C 23.976 4.016 3.546 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 7 . 2653 . 1 1 6 GLU CG C 24.951 5.008 4.189 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 7 . 2654 . 1 1 6 GLU H H 24.831 4.708 0.880 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 7 . 2655 . 1 1 6 GLU HA H 25.038 7.217 2.443 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 7 . 2656 . 1 1 6 GLU HB2 H 26.567 4.632 2.827 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2657 . 1 1 6 GLU HB3 H 26.767 6.086 3.781 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2658 . 1 1 6 GLU HG2 H 25.416 4.533 5.040 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2659 . 1 1 6 GLU HG3 H 24.403 5.867 4.536 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2660 . 1 1 6 GLU N N 24.595 5.607 1.184 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 7 . 2661 . 1 1 6 GLU O O 27.364 5.953 0.552 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 7 . 2662 . 1 1 6 GLU OE1 O 23.303 4.376 2.607 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2663 . 1 1 6 GLU OE2 O 23.921 2.894 4.021 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2664 . 1 1 7 LYS C C 29.315 9.040 1.483 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 7 . 2665 . 1 1 7 LYS CA C 28.178 8.626 0.541 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 7 . 2666 . 1 1 7 LYS CB C 27.694 9.802 -0.331 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 7 . 2667 . 1 1 7 LYS CD C 26.356 11.992 -0.334 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 7 . 2668 . 1 1 7 LYS CE C 27.411 12.753 -1.159 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 7 . 2669 . 1 1 7 LYS CG C 26.969 10.859 0.526 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 7 . 2670 . 1 1 7 LYS H H 26.500 8.665 1.838 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 7 . 2671 . 1 1 7 LYS HA H 28.567 7.863 -0.123 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 7 . 2672 . 1 1 7 LYS HB2 H 28.557 10.243 -0.788 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2673 . 1 1 7 LYS HB3 H 27.025 9.434 -1.095 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2674 . 1 1 7 LYS HD2 H 25.632 11.563 -1.009 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2675 . 1 1 7 LYS HD3 H 25.852 12.689 0.319 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2676 . 1 1 7 LYS HE2 H 26.938 13.583 -1.659 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2677 . 1 1 7 LYS HE3 H 28.177 13.128 -0.494 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 7 . 2678 . 1 1 7 LYS HG2 H 26.179 10.379 1.081 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2679 . 1 1 7 LYS HG3 H 27.662 11.299 1.218 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2680 . 1 1 7 LYS HZ1 H 29.028 11.686 -1.918 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 7 . 2681 . 1 1 7 LYS HZ2 H 27.993 12.319 -3.109 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 7 . 2682 . 1 1 7 LYS HZ3 H 27.522 10.959 -2.207 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 7 . 2683 . 1 1 7 LYS N N 27.044 8.068 1.281 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 7 . 2684 . 1 1 7 LYS NZ N 28.036 11.861 -2.174 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 7 . 2685 . 1 1 7 LYS O O 29.350 10.147 2.012 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 7 . 2686 . 1 1 8 . CAA C 32.748 7.938 0.586 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 7 . 2687 . 1 1 8 . CAB C 33.855 8.518 2.729 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 7 . 2688 . 1 1 8 . CAE C 31.378 8.484 2.579 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 7 . 2689 . 1 1 8 . CAF C 32.659 7.795 2.106 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 7 . 2690 . 1 1 8 . HAA H 32.450 7.002 0.113 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 7 . 2691 . 1 1 8 . HAB H 33.772 8.178 0.302 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 7 . 2692 . 1 1 8 . HAC H 32.083 8.738 0.257 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 7 . 2693 . 1 1 8 . HAD H 33.611 8.813 3.750 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 7 . 2694 . 1 1 8 . HAE H 34.092 9.403 2.140 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 7 . 2695 . 1 1 8 . HAF H 34.716 7.849 2.738 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 7 . 2696 . 1 1 8 . HAG H 31.154 8.155 3.593 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 7 . 2697 . 1 1 8 . HAH H 31.530 9.564 2.580 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 7 . 2698 . 1 1 8 . HAI H 30.208 7.260 1.251 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 7 . 2699 . 1 1 8 . HAL H 33.538 5.865 2.286 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 7 . 2700 . 1 1 8 . NAC N 30.252 8.156 1.693 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 7 . 2701 . 1 1 8 . NAD N 32.696 6.370 2.471 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 7 . 2702 . 1 1 9 DPR C C 31.691 5.705 3.016 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 7 . 2703 . 1 1 9 DPR CA C 32.047 4.240 3.257 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 7 . 2704 . 1 1 9 DPR CB C 31.674 3.791 4.668 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 7 . 2705 . 1 1 9 DPR CD C 31.143 1.996 3.068 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 7 . 2706 . 1 1 9 DPR CG C 31.456 2.302 4.553 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 7 . 2707 . 1 1 9 DPR HA H 33.102 4.087 3.102 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 7 . 2708 . 1 1 9 DPR HB2 H 32.483 4.013 5.357 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2709 . 1 1 9 DPR HB3 H 30.764 4.281 4.990 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2710 . 1 1 9 DPR HD2 H 31.866 1.297 2.660 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2711 . 1 1 9 DPR HD3 H 30.143 1.610 2.955 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2712 . 1 1 9 DPR HG2 H 32.351 1.773 4.863 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2713 . 1 1 9 DPR HG3 H 30.621 1.997 5.171 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2714 . 1 1 9 DPR N N 31.263 3.305 2.405 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 7 . 2715 . 1 1 9 DPR O O 30.582 6.160 3.295 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 7 . 2716 . 1 1 10 VAL C C 30.757 3.636 1.233 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 7 . 2717 . 1 1 10 VAL CA C 29.974 2.563 0.461 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 7 . 2718 . 1 1 10 VAL CB C 30.066 2.829 -1.051 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 7 . 2719 . 1 1 10 VAL CG1 C 29.399 4.175 -1.416 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2720 . 1 1 10 VAL CG2 C 31.543 2.849 -1.466 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2721 . 1 1 10 VAL H H 28.008 3.347 0.714 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 7 . 2722 . 1 1 10 VAL HA H 30.417 1.592 0.654 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 7 . 2723 . 1 1 10 VAL HB H 29.562 2.029 -1.576 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 7 . 2724 . 1 1 10 VAL HG11 H 28.983 4.110 -2.412 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 7 . 2725 . 1 1 10 VAL HG12 H 30.126 4.973 -1.389 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 7 . 2726 . 1 1 10 VAL HG13 H 28.605 4.391 -0.714 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 7 . 2727 . 1 1 10 VAL HG21 H 31.615 2.822 -2.545 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 7 . 2728 . 1 1 10 VAL HG22 H 32.045 1.987 -1.052 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 7 . 2729 . 1 1 10 VAL HG23 H 32.009 3.750 -1.098 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 7 . 2730 . 1 1 10 VAL N N 28.561 2.544 0.864 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 7 . 2731 . 1 1 10 VAL O O 30.902 4.765 0.762 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 7 . 2732 . 1 1 11 GLN C C 28.005 1.459 1.414 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 7 . 2733 . 1 1 11 GLN CA C 26.522 1.560 1.769 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 7 . 2734 . 1 1 11 GLN CB C 26.266 0.973 3.162 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 7 . 2735 . 1 1 11 GLN CD C 26.789 1.158 5.600 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 7 . 2736 . 1 1 11 GLN CG C 27.036 1.760 4.220 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 7 . 2737 . 1 1 11 GLN H H 25.820 -0.154 0.719 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 7 . 2738 . 1 1 11 GLN HA H 26.235 2.599 1.770 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 7 . 2739 . 1 1 11 GLN HB2 H 25.209 1.016 3.381 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2740 . 1 1 11 GLN HB3 H 26.591 -0.051 3.182 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2741 . 1 1 11 GLN HE21 H 26.017 2.826 6.351 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 7 . 2742 . 1 1 11 GLN HE22 H 26.094 1.515 7.426 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 7 . 2743 . 1 1 11 GLN HG2 H 28.087 1.728 3.999 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2744 . 1 1 11 GLN HG3 H 26.698 2.784 4.218 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2745 . 1 1 11 GLN N N 25.731 0.827 0.773 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 7 . 2746 . 1 1 11 GLN NE2 N 26.256 1.894 6.536 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2747 . 1 1 11 GLN O O 28.631 0.420 1.615 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 7 . 2748 . 1 1 11 GLN OE1 O 27.092 -0.012 5.831 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2749 . 1 1 12 LYS C C 24.896 1.464 -0.058 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 7 . 2750 . 1 1 12 LYS CA C 24.125 0.601 -1.053 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 7 . 2751 . 1 1 12 LYS CB C 24.419 1.144 -2.471 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 7 . 2752 . 1 1 12 LYS CD C 22.387 0.079 -3.625 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 7 . 2753 . 1 1 12 LYS CE C 22.005 -0.796 -4.825 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 7 . 2754 . 1 1 12 LYS CG C 23.907 0.238 -3.610 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 7 . 2755 . 1 1 12 LYS H H 22.177 1.424 -0.829 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 7 . 2756 . 1 1 12 LYS HA H 24.494 -0.408 -0.992 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 7 . 2757 . 1 1 12 LYS HB2 H 23.952 2.111 -2.572 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2758 . 1 1 12 LYS HB3 H 25.487 1.266 -2.579 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2759 . 1 1 12 LYS HD2 H 22.061 -0.404 -2.722 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2760 . 1 1 12 LYS HD3 H 21.917 1.044 -3.718 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2761 . 1 1 12 LYS HE2 H 22.480 -1.761 -4.734 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2762 . 1 1 12 LYS HE3 H 20.939 -0.926 -4.857 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 7 . 2763 . 1 1 12 LYS HG2 H 24.219 0.661 -4.551 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2764 . 1 1 12 LYS HG3 H 24.360 -0.738 -3.503 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2765 . 1 1 12 LYS HZ1 H 23.411 -0.470 -6.329 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 7 . 2766 . 1 1 12 LYS HZ2 H 22.457 0.889 -5.965 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 7 . 2767 . 1 1 12 LYS HZ3 H 21.803 -0.397 -6.859 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 7 . 2768 . 1 1 12 LYS N N 22.698 0.604 -0.703 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 7 . 2769 . 1 1 12 LYS NZ N 22.454 -0.143 -6.090 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 7 . 2770 . 1 1 12 LYS O O 24.744 2.686 -0.042 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 7 . 2771 . 1 1 13 PHE C C 22.108 -0.470 -0.166 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 7 . 2772 . 1 1 13 PHE CA C 20.635 -0.321 0.215 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 7 . 2773 . 1 1 13 PHE CB C 20.523 -0.621 1.726 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 7 . 2774 . 1 1 13 PHE CD1 C 18.108 0.272 1.623 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2775 . 1 1 13 PHE CD2 C 18.912 -0.764 3.656 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2776 . 1 1 13 PHE CE1 C 16.879 0.507 2.230 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2777 . 1 1 13 PHE CE2 C 17.673 -0.521 4.262 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2778 . 1 1 13 PHE CG C 19.138 -0.377 2.327 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 7 . 2779 . 1 1 13 PHE CZ C 16.658 0.111 3.542 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 7 . 2780 . 1 1 13 PHE H H 19.994 -2.222 -0.465 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 7 . 2781 . 1 1 13 PHE HA H 20.332 0.694 0.023 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 7 . 2782 . 1 1 13 PHE HB2 H 20.780 -1.653 1.884 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2783 . 1 1 13 PHE HB3 H 21.242 -0.005 2.251 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2784 . 1 1 13 PHE HD1 H 18.250 0.599 0.630 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2785 . 1 1 13 PHE HD2 H 19.693 -1.262 4.212 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2786 . 1 1 13 PHE HE1 H 16.095 0.996 1.679 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2787 . 1 1 13 PHE HE2 H 17.504 -0.821 5.286 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2788 . 1 1 13 PHE HZ H 15.707 0.303 3.996 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 7 . 2789 . 1 1 13 PHE N N 19.802 -1.263 -0.547 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 7 . 2790 . 1 1 13 PHE O O 22.710 -1.517 0.068 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 7 . 2791 . 1 1 14 ILE C C 18.793 -0.888 -1.340 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 7 . 2792 . 1 1 14 ILE CA C 18.064 -2.047 -2.021 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 7 . 2793 . 1 1 14 ILE CB C 18.458 -2.192 -3.518 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 7 . 2794 . 1 1 14 ILE CD1 C 18.521 0.317 -4.107 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2795 . 1 1 14 ILE CG1 C 17.910 -1.057 -4.419 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2796 . 1 1 14 ILE CG2 C 17.932 -3.515 -4.063 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2797 . 1 1 14 ILE H H 16.154 -1.094 -1.839 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 7 . 2798 . 1 1 14 ILE HA H 18.391 -2.948 -1.519 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 7 . 2799 . 1 1 14 ILE HB H 19.535 -2.204 -3.582 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 7 . 2800 . 1 1 14 ILE HD11 H 17.817 0.906 -3.547 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 7 . 2801 . 1 1 14 ILE HD12 H 18.737 0.821 -5.037 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 7 . 2802 . 1 1 14 ILE HD13 H 19.435 0.204 -3.551 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 7 . 2803 . 1 1 14 ILE HG12 H 18.120 -1.301 -5.449 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 7 . 2804 . 1 1 14 ILE HG13 H 16.838 -1.001 -4.290 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 7 . 2805 . 1 1 14 ILE HG21 H 18.392 -3.716 -5.019 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 7 . 2806 . 1 1 14 ILE HG22 H 16.862 -3.451 -4.189 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 7 . 2807 . 1 1 14 ILE HG23 H 18.171 -4.310 -3.378 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 7 . 2808 . 1 1 14 ILE N N 16.601 -1.974 -1.879 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 7 . 2809 . 1 1 14 ILE O O 18.454 0.280 -1.504 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 7 . 2810 . 1 1 15 ARG C C 15.863 -3.094 -1.821 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 7 . 2811 . 1 1 15 ARG CA C 14.355 -2.915 -1.709 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 7 . 2812 . 1 1 15 ARG CB C 13.961 -2.499 -0.269 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 7 . 2813 . 1 1 15 ARG CD C 12.773 -4.582 0.598 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 7 . 2814 . 1 1 15 ARG CG C 14.006 -3.661 0.740 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 7 . 2815 . 1 1 15 ARG CZ C 11.939 -6.618 1.616 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 7 . 2816 . 1 1 15 ARG H H 13.815 -4.952 -1.679 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 7 . 2817 . 1 1 15 ARG HA H 14.082 -2.099 -2.368 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 7 . 2818 . 1 1 15 ARG HB2 H 14.643 -1.741 0.067 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2819 . 1 1 15 ARG HB3 H 12.963 -2.090 -0.284 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2820 . 1 1 15 ARG HD2 H 11.887 -4.016 0.834 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2821 . 1 1 15 ARG HD3 H 12.672 -4.967 -0.390 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2822 . 1 1 15 ARG HE H 13.668 -5.741 2.119 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 7 . 2823 . 1 1 15 ARG HG2 H 14.901 -4.241 0.570 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2824 . 1 1 15 ARG HG3 H 14.032 -3.258 1.742 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2825 . 1 1 15 ARG HH11 H 10.797 -5.795 0.192 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 7 . 2826 . 1 1 15 ARG HH12 H 10.180 -7.250 0.899 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 7 . 2827 . 1 1 15 ARG HH21 H 12.865 -7.655 3.055 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 7 . 2828 . 1 1 15 ARG HH22 H 11.351 -8.303 2.519 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 7 . 2829 . 1 1 15 ARG N N 13.654 -4.118 -2.154 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 7 . 2830 . 1 1 15 ARG NE N 12.882 -5.685 1.539 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 7 . 2831 . 1 1 15 ARG NH1 N 10.890 -6.549 0.842 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 7 . 2832 . 1 1 15 ARG NH2 N 12.061 -7.602 2.462 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 7 . 2833 . 1 1 15 ARG O O 16.354 -4.219 -1.881 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 7 . 2834 . 1 1 16 VAL C C 12.829 -4.129 -3.188 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 7 . 2835 . 1 1 16 VAL CA C 12.168 -5.469 -3.520 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 7 . 2836 . 1 1 16 VAL CB C 13.203 -6.572 -3.770 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 7 . 2837 . 1 1 16 VAL CG1 C 14.040 -6.849 -2.514 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2838 . 1 1 16 VAL CG2 C 12.461 -7.849 -4.186 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2839 . 1 1 16 VAL H H 11.764 -4.827 -5.472 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 7 . 2840 . 1 1 16 VAL HA H 11.534 -5.759 -2.690 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 7 . 2841 . 1 1 16 VAL HB H 13.858 -6.265 -4.566 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 7 . 2842 . 1 1 16 VAL HG11 H 14.860 -6.150 -2.460 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 7 . 2843 . 1 1 16 VAL HG12 H 14.434 -7.854 -2.561 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 7 . 2844 . 1 1 16 VAL HG13 H 13.421 -6.751 -1.637 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 7 . 2845 . 1 1 16 VAL HG21 H 11.961 -7.685 -5.129 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 7 . 2846 . 1 1 16 VAL HG22 H 11.731 -8.100 -3.432 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 7 . 2847 . 1 1 16 VAL HG23 H 13.165 -8.660 -4.288 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 7 . 2848 . 1 1 16 VAL N N 11.369 -5.301 -4.724 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 7 . 2849 . 1 1 16 VAL O O 12.585 -3.127 -3.860 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 7 . 2850 . 1 1 17 . C11 C 9.332 -2.608 -6.313 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 7 . 2851 . 1 1 17 . C12 C 8.479 -3.378 -5.318 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 7 . 2852 . 1 1 17 . C13 C 8.139 -4.743 -5.891 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 7 . 2853 . 1 1 17 . C14 C 9.414 -5.527 -6.156 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 7 . 2854 . 1 1 17 . C15 C 10.153 -5.763 -4.837 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 7 . 2855 . 1 1 17 . C7 C 11.548 -5.540 -7.465 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 7 . 2856 . 1 1 17 . C8 C 10.273 -4.755 -7.146 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 7 . 2857 . 1 1 17 . C9 C 10.612 -3.377 -6.598 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 7 . 2858 . 1 1 17 . H111 H 9.588 -1.632 -5.901 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 7 . 2859 . 1 1 17 . H112 H 8.776 -2.473 -7.241 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 7 . 2860 . 1 1 17 . H12 H 7.563 -2.817 -5.130 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 7 . 2861 . 1 1 17 . H14 H 9.149 -6.493 -6.586 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 7 . 2862 . 1 1 17 . H8 H 9.712 -4.625 -8.072 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 7 . 2863 . 1 1 17 . H9 H 11.195 -3.470 -5.681 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 7 . 2864 . 1 1 17 . HAG H 9.026 -3.502 -4.382 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 7 . 2865 . 1 1 17 . HAI H 11.196 -2.828 -7.336 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 7 . 2866 . 1 1 17 . HAK H 7.515 -5.293 -5.185 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 7 . 2867 . 1 1 17 . HAL H 7.592 -4.607 -6.824 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 7 . 2868 . 1 1 17 . O1 O 11.504 -6.761 -7.604 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 7 . 2869 . 1 1 17 . OAB O 9.602 -6.374 -3.924 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 7 . 2870 . 1 1 18 GLY C C 14.306 -6.644 -7.043 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 7 . 2871 . 1 1 18 GLY CA C 13.931 -5.487 -7.972 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 7 . 2872 . 1 1 18 GLY H H 12.618 -3.878 -7.528 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 7 . 2873 . 1 1 18 GLY HA2 H 13.866 -5.862 -8.983 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 7 . 2874 . 1 1 18 GLY HA3 H 14.710 -4.741 -7.929 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 7 . 2875 . 1 1 18 GLY N N 12.653 -4.852 -7.621 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 7 . 2876 . 1 1 18 GLY O O 13.541 -7.590 -6.863 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 7 . 2877 . 1 1 19 VAL C C 16.591 -6.951 -4.293 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 7 . 2878 . 1 1 19 VAL CA C 16.030 -7.595 -5.561 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 7 . 2879 . 1 1 19 VAL CB C 17.132 -8.394 -6.259 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 7 . 2880 . 1 1 19 VAL CG1 C 16.563 -9.068 -7.507 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2881 . 1 1 19 VAL CG2 C 18.267 -7.450 -6.663 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2882 . 1 1 19 VAL H H 16.075 -5.783 -6.667 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 7 . 2883 . 1 1 19 VAL HA H 15.231 -8.267 -5.287 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 7 . 2884 . 1 1 19 VAL HB H 17.511 -9.147 -5.583 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 7 . 2885 . 1 1 19 VAL HG11 H 16.390 -8.324 -8.272 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 7 . 2886 . 1 1 19 VAL HG12 H 15.631 -9.555 -7.261 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 7 . 2887 . 1 1 19 VAL HG13 H 17.266 -9.801 -7.873 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 7 . 2888 . 1 1 19 VAL HG21 H 18.808 -7.138 -5.781 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 7 . 2889 . 1 1 19 VAL HG22 H 17.855 -6.582 -7.157 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 7 . 2890 . 1 1 19 VAL HG23 H 18.938 -7.962 -7.335 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 7 . 2891 . 1 1 19 VAL N N 15.512 -6.559 -6.469 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 7 . 2892 . 1 1 19 VAL O O 16.471 -5.744 -4.111 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 7 . 2893 . 1 1 20 THR C C 19.282 -7.506 -2.076 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 7 . 2894 . 1 1 20 THR CA C 17.781 -7.239 -2.161 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 7 . 2895 . 1 1 20 THR CB C 17.086 -7.863 -0.941 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 7 . 2896 . 1 1 20 THR CG2 C 17.228 -9.387 -0.960 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2897 . 1 1 20 THR H H 17.273 -8.717 -3.615 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 7 . 2898 . 1 1 20 THR HA H 17.630 -6.172 -2.119 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 7 . 2899 . 1 1 20 THR HB H 16.042 -7.604 -0.952 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 7 . 2900 . 1 1 20 THR HG1 H 17.953 -6.445 0.068 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2901 . 1 1 20 THR HG21 H 16.873 -9.772 -1.902 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 7 . 2902 . 1 1 20 THR HG22 H 16.641 -9.809 -0.156 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 7 . 2903 . 1 1 20 THR HG23 H 18.264 -9.655 -0.824 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 7 . 2904 . 1 1 20 THR N N 17.205 -7.761 -3.416 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 7 . 2905 . 1 1 20 THR O O 19.751 -8.620 -2.308 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 7 . 2906 . 1 1 20 THR OG1 O 17.677 -7.348 0.243 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2907 . 1 1 21 ILE C C 21.941 -5.404 -0.666 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 7 . 2908 . 1 1 21 ILE CA C 21.474 -6.540 -1.572 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 7 . 2909 . 1 1 21 ILE CB C 22.156 -6.441 -2.942 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 7 . 2910 . 1 1 21 ILE CD1 C 24.070 -7.885 -2.149 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 7 . 2911 . 1 1 21 ILE CG1 C 23.684 -6.542 -2.785 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 7 . 2912 . 1 1 21 ILE CG2 C 21.806 -5.099 -3.588 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2913 . 1 1 21 ILE H H 19.578 -5.604 -1.541 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 7 . 2914 . 1 1 21 ILE HA H 21.725 -7.485 -1.114 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 7 . 2915 . 1 1 21 ILE HB H 21.805 -7.244 -3.575 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 7 . 2916 . 1 1 21 ILE HD11 H 24.039 -7.796 -1.073 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 7 . 2917 . 1 1 21 ILE HD12 H 25.070 -8.150 -2.456 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 7 . 2918 . 1 1 21 ILE HD13 H 23.382 -8.655 -2.468 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 7 . 2919 . 1 1 21 ILE HG12 H 24.145 -6.463 -3.757 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 7 . 2920 . 1 1 21 ILE HG13 H 24.035 -5.737 -2.158 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 7 . 2921 . 1 1 21 ILE HG21 H 22.350 -4.308 -3.092 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 7 . 2922 . 1 1 21 ILE HG22 H 20.746 -4.920 -3.494 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 7 . 2923 . 1 1 21 ILE HG23 H 22.078 -5.121 -4.633 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 7 . 2924 . 1 1 21 ILE N N 20.023 -6.458 -1.721 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 7 . 2925 . 1 1 21 ILE O O 21.435 -4.285 -0.765 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 7 . 2926 . 1 1 22 ARG C C 24.898 -4.526 1.032 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 7 . 2927 . 1 1 22 ARG CA C 23.379 -4.679 1.169 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 7 . 2928 . 1 1 22 ARG CB C 23.020 -5.156 2.587 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 7 . 2929 . 1 1 22 ARG CD C 22.684 -2.863 3.538 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 7 . 2930 . 1 1 22 ARG CG C 23.445 -4.183 3.684 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 7 . 2931 . 1 1 22 ARG CZ C 24.171 -1.490 4.892 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 7 . 2932 . 1 1 22 ARG H H 23.240 -6.599 0.293 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 7 . 2933 . 1 1 22 ARG HA H 22.901 -3.737 0.970 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 7 . 2934 . 1 1 22 ARG HB2 H 21.949 -5.269 2.653 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2935 . 1 1 22 ARG HB3 H 23.485 -6.110 2.766 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2936 . 1 1 22 ARG HD2 H 22.987 -2.364 2.636 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2937 . 1 1 22 ARG HD3 H 21.625 -3.068 3.499 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2938 . 1 1 22 ARG HE H 22.230 -1.757 5.256 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 7 . 2939 . 1 1 22 ARG HG2 H 23.232 -4.620 4.647 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2940 . 1 1 22 ARG HG3 H 24.502 -4.004 3.596 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2941 . 1 1 22 ARG HH11 H 25.005 -2.325 3.282 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 7 . 2942 . 1 1 22 ARG HH12 H 26.066 -1.384 4.274 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 7 . 2943 . 1 1 22 ARG HH21 H 23.608 -0.509 6.544 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 7 . 2944 . 1 1 22 ARG HH22 H 25.279 -0.353 6.112 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 7 . 2945 . 1 1 22 ARG N N 22.885 -5.691 0.236 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 7 . 2946 . 1 1 22 ARG NE N 22.961 -1.980 4.654 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 7 . 2947 . 1 1 22 ARG NH1 N 25.156 -1.753 4.087 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 7 . 2948 . 1 1 22 ARG NH2 N 24.368 -0.725 5.930 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 7 . 2949 . 1 1 22 ARG O O 25.660 -5.332 1.566 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 7 . 2950 . 1 1 23 GLU C C 27.322 -2.615 1.401 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 7 . 2951 . 1 1 23 GLU CA C 26.762 -3.237 0.128 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 7 . 2952 . 1 1 23 GLU CB C 26.970 -2.311 -1.080 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 7 . 2953 . 1 1 23 GLU CD C 29.171 -3.392 -1.621 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 7 . 2954 . 1 1 23 GLU CG C 28.458 -2.072 -1.346 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 7 . 2955 . 1 1 23 GLU H H 24.685 -2.870 -0.081 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 7 . 2956 . 1 1 23 GLU HA H 27.257 -4.171 -0.052 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 7 . 2957 . 1 1 23 GLU HB2 H 26.518 -2.754 -1.953 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2958 . 1 1 23 GLU HB3 H 26.500 -1.366 -0.878 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2959 . 1 1 23 GLU HG2 H 28.560 -1.429 -2.207 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2960 . 1 1 23 GLU HG3 H 28.904 -1.592 -0.495 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2961 . 1 1 23 GLU N N 25.334 -3.485 0.319 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 7 . 2962 . 1 1 23 GLU O O 26.561 -2.114 2.216 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 7 . 2963 . 1 1 23 GLU OE1 O 28.783 -4.068 -2.560 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 7 . 2964 . 1 1 23 GLU OE2 O 30.102 -3.701 -0.898 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2965 . 1 1 24 LYS C C 30.562 -1.376 2.429 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 7 . 2966 . 1 1 24 LYS CA C 29.256 -2.072 2.782 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 7 . 2967 . 1 1 24 LYS CB C 29.514 -3.137 3.871 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 7 . 2968 . 1 1 24 LYS CD C 30.139 -5.032 2.197 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 7 . 2969 . 1 1 24 LYS CE C 28.770 -5.704 2.368 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 7 . 2970 . 1 1 24 LYS CG C 30.539 -4.224 3.451 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 7 . 2971 . 1 1 24 LYS H H 29.210 -3.046 0.896 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 7 . 2972 . 1 1 24 LYS HA H 28.583 -1.328 3.192 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 7 . 2973 . 1 1 24 LYS HB2 H 29.899 -2.633 4.746 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 7 . 2974 . 1 1 24 LYS HB3 H 28.582 -3.605 4.138 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 7 . 2975 . 1 1 24 LYS HD2 H 30.131 -4.396 1.338 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 7 . 2976 . 1 1 24 LYS HD3 H 30.880 -5.803 2.041 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 7 . 2977 . 1 1 24 LYS HE2 H 28.001 -4.961 2.487 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 7 . 2978 . 1 1 24 LYS HE3 H 28.556 -6.292 1.486 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 7 . 2979 . 1 1 24 LYS HG2 H 31.485 -3.746 3.258 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 7 . 2980 . 1 1 24 LYS HG3 H 30.666 -4.909 4.278 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 7 . 2981 . 1 1 24 LYS HZ1 H 28.746 -6.035 4.423 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 7 . 2982 . 1 1 24 LYS HZ2 H 29.687 -7.150 3.552 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 7 . 2983 . 1 1 24 LYS HZ3 H 27.991 -7.255 3.519 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 7 . 2984 . 1 1 24 LYS N N 28.643 -2.647 1.581 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 7 . 2985 . 1 1 24 LYS NZ N 28.801 -6.604 3.555 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 7 . 2986 . 1 1 24 LYS O O 31.514 -1.396 3.208 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 7 . 2987 . 1 1 25 NH2 HN1 H 31.443 -0.208 1.097 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 7 . 2988 . 1 1 25 NH2 HN2 H 29.884 -0.708 0.692 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 7 . 2989 . 1 1 25 NH2 N N 30.643 -0.716 1.310 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 8 . 2990 . 1 1 1 ACE C C 10.347 0.076 -1.752 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 8 . 2991 . 1 1 1 ACE CH3 C 9.698 -1.202 -2.272 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 8 . 2992 . 1 1 1 ACE H1 H 10.328 -1.645 -3.028 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 8 . 2993 . 1 1 1 ACE H2 H 8.733 -0.967 -2.699 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 8 . 2994 . 1 1 1 ACE H3 H 9.570 -1.899 -1.456 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 8 . 2995 . 1 1 1 ACE O O 9.707 1.125 -1.687 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 8 . 2996 . 1 1 2 GLU C C 13.852 0.968 -1.061 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 8 . 2997 . 1 1 2 GLU CA C 12.348 1.136 -0.862 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 8 . 2998 . 1 1 2 GLU CB C 12.040 1.336 0.627 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 8 . 2999 . 1 1 2 GLU CD C 12.144 0.289 2.896 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 8 . 3000 . 1 1 2 GLU CG C 12.454 0.091 1.416 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 8 . 3001 . 1 1 2 GLU H H 12.079 -0.883 -1.452 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 8 . 3002 . 1 1 2 GLU HA H 12.027 2.018 -1.400 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 8 . 3003 . 1 1 2 GLU HB2 H 12.587 2.191 0.993 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3004 . 1 1 2 GLU HB3 H 10.981 1.504 0.754 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3005 . 1 1 2 GLU HG2 H 11.909 -0.764 1.048 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3006 . 1 1 2 GLU HG3 H 13.513 -0.078 1.293 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3007 . 1 1 2 GLU N N 11.621 -0.020 -1.380 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 8 . 3008 . 1 1 2 GLU O O 14.326 -0.087 -1.495 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 8 . 3009 . 1 1 2 GLU OE1 O 12.681 1.221 3.474 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3010 . 1 1 2 GLU OE2 O 11.376 -0.493 3.431 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3011 . 1 1 3 ARG C C 16.777 2.872 0.116 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 8 . 3012 . 1 1 3 ARG CA C 16.055 1.985 -0.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 8 . 3013 . 1 1 3 ARG CB C 16.458 2.309 -2.343 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 8 . 3014 . 1 1 3 ARG CD C 16.267 4.865 -2.048 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 8 . 3015 . 1 1 3 ARG CG C 15.856 3.636 -2.875 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 8 . 3016 . 1 1 3 ARG CZ C 14.474 6.338 -2.802 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 8 . 3017 . 1 1 3 ARG H H 14.174 2.833 -0.409 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 8 . 3018 . 1 1 3 ARG HA H 16.369 0.971 -0.693 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 8 . 3019 . 1 1 3 ARG HB2 H 17.532 2.368 -2.396 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3020 . 1 1 3 ARG HB3 H 16.126 1.500 -2.976 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3021 . 1 1 3 ARG HD2 H 15.822 4.804 -1.076 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3022 . 1 1 3 ARG HD3 H 17.339 4.908 -1.955 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3023 . 1 1 3 ARG HE H 16.421 6.734 -3.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 8 . 3024 . 1 1 3 ARG HG2 H 16.188 3.781 -3.892 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3025 . 1 1 3 ARG HG3 H 14.781 3.549 -2.872 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3026 . 1 1 3 ARG HH11 H 13.893 4.699 -1.810 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 8 . 3027 . 1 1 3 ARG HH12 H 12.617 5.712 -2.395 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 8 . 3028 . 1 1 3 ARG HH21 H 14.748 8.057 -3.789 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 8 . 3029 . 1 1 3 ARG HH22 H 13.099 7.609 -3.511 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 8 . 3030 . 1 1 3 ARG N N 14.603 2.020 -0.746 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 8 . 3031 . 1 1 3 ARG NE N 15.776 6.089 -2.677 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 8 . 3032 . 1 1 3 ARG NH1 N 13.593 5.520 -2.296 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 8 . 3033 . 1 1 3 ARG NH2 N 14.076 7.420 -3.415 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 8 . 3034 . 1 1 3 ARG O O 16.148 3.627 0.860 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 8 . 3035 . 1 1 4 PHE C C 20.321 3.778 0.626 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 8 . 3036 . 1 1 4 PHE CA C 18.894 3.530 1.123 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 8 . 3037 . 1 1 4 PHE CB C 18.952 2.776 2.457 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 8 . 3038 . 1 1 4 PHE CD1 C 19.337 4.831 3.876 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3039 . 1 1 4 PHE CD2 C 20.941 3.013 3.997 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3040 . 1 1 4 PHE CE1 C 20.088 5.552 4.813 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3041 . 1 1 4 PHE CE2 C 21.688 3.736 4.933 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3042 . 1 1 4 PHE CG C 19.763 3.560 3.467 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 8 . 3043 . 1 1 4 PHE CZ C 21.262 5.003 5.340 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 8 . 3044 . 1 1 4 PHE H H 18.557 2.107 -0.428 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 8 . 3045 . 1 1 4 PHE HA H 18.413 4.482 1.284 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 8 . 3046 . 1 1 4 PHE HB2 H 17.949 2.640 2.833 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3047 . 1 1 4 PHE HB3 H 19.408 1.807 2.300 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3048 . 1 1 4 PHE HD1 H 18.431 5.254 3.472 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3049 . 1 1 4 PHE HD2 H 21.273 2.035 3.683 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3050 . 1 1 4 PHE HE1 H 19.759 6.531 5.129 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3051 . 1 1 4 PHE HE2 H 22.596 3.314 5.340 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3052 . 1 1 4 PHE HZ H 21.838 5.559 6.063 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 8 . 3053 . 1 1 4 PHE N N 18.106 2.747 0.168 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 8 . 3054 . 1 1 4 PHE O O 21.047 2.836 0.305 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 8 . 3055 . 1 1 5 TYR C C 22.808 6.202 1.294 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 8 . 3056 . 1 1 5 TYR CA C 22.096 5.424 0.195 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 8 . 3057 . 1 1 5 TYR CB C 22.112 6.272 -1.082 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 8 . 3058 . 1 1 5 TYR CD1 C 20.286 5.031 -2.322 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3059 . 1 1 5 TYR CD2 C 22.485 5.193 -3.333 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3060 . 1 1 5 TYR CE1 C 19.837 4.302 -3.433 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3061 . 1 1 5 TYR CE2 C 22.034 4.465 -4.438 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3062 . 1 1 5 TYR CG C 21.610 5.479 -2.271 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 8 . 3063 . 1 1 5 TYR CZ C 20.710 4.021 -4.489 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 8 . 3064 . 1 1 5 TYR H H 20.117 5.756 0.903 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 8 . 3065 . 1 1 5 TYR HA H 22.659 4.524 0.008 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 8 . 3066 . 1 1 5 TYR HB2 H 21.475 7.133 -0.940 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3067 . 1 1 5 TYR HB3 H 23.122 6.608 -1.269 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3068 . 1 1 5 TYR HD1 H 19.610 5.249 -1.510 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3069 . 1 1 5 TYR HD2 H 23.513 5.532 -3.295 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3070 . 1 1 5 TYR HE1 H 18.817 3.957 -3.476 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3071 . 1 1 5 TYR HE2 H 22.707 4.248 -5.255 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3072 . 1 1 5 TYR HH H 20.268 3.888 -6.341 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 8 . 3073 . 1 1 5 TYR N N 20.732 5.054 0.606 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 8 . 3074 . 1 1 5 TYR O O 22.270 7.159 1.850 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 8 . 3075 . 1 1 5 TYR OH O 20.264 3.304 -5.580 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 8 . 3076 . 1 1 6 GLU C C 26.257 5.848 2.587 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 8 . 3077 . 1 1 6 GLU CA C 24.848 6.433 2.601 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 8 . 3078 . 1 1 6 GLU CB C 24.213 6.254 3.983 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 8 . 3079 . 1 1 6 GLU CD C 24.444 6.817 6.416 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 8 . 3080 . 1 1 6 GLU CG C 25.077 6.953 5.036 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 8 . 3081 . 1 1 6 GLU H H 24.400 5.020 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 8 . 3082 . 1 1 6 GLU HA H 24.906 7.489 2.377 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 8 . 3083 . 1 1 6 GLU HB2 H 23.223 6.686 3.985 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3084 . 1 1 6 GLU HB3 H 24.148 5.202 4.216 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3085 . 1 1 6 GLU HG2 H 26.057 6.503 5.050 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3086 . 1 1 6 GLU HG3 H 25.167 7.998 4.783 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3087 . 1 1 6 GLU N N 24.032 5.782 1.585 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 8 . 3088 . 1 1 6 GLU O O 26.439 4.684 2.254 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 8 . 3089 . 1 1 6 GLU OE1 O 23.330 7.283 6.584 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3090 . 1 1 6 GLU OE2 O 25.083 6.247 7.286 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3091 . 1 1 7 LYS C C 29.181 6.057 4.405 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 8 . 3092 . 1 1 7 LYS CA C 28.652 6.201 2.981 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 8 . 3093 . 1 1 7 LYS CB C 29.538 7.139 2.137 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 8 . 3094 . 1 1 7 LYS CD C 29.781 8.923 3.978 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 8 . 3095 . 1 1 7 LYS CE C 29.740 10.433 4.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 8 . 3096 . 1 1 7 LYS CG C 29.397 8.635 2.518 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 8 . 3097 . 1 1 7 LYS H H 27.049 7.582 3.214 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 8 . 3098 . 1 1 7 LYS HA H 28.698 5.219 2.525 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 8 . 3099 . 1 1 7 LYS HB2 H 30.569 6.848 2.265 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3100 . 1 1 7 LYS HB3 H 29.273 7.019 1.096 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3101 . 1 1 7 LYS HD2 H 29.067 8.466 4.638 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3102 . 1 1 7 LYS HD3 H 30.771 8.549 4.182 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3103 . 1 1 7 LYS HE2 H 30.011 10.641 5.241 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3104 . 1 1 7 LYS HE3 H 30.437 10.921 3.553 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 8 . 3105 . 1 1 7 LYS HG2 H 30.035 9.220 1.873 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3106 . 1 1 7 LYS HG3 H 28.372 8.938 2.359 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3107 . 1 1 7 LYS HZ1 H 28.305 11.299 2.981 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 8 . 3108 . 1 1 7 LYS HZ2 H 28.147 11.711 4.622 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 8 . 3109 . 1 1 7 LYS HZ3 H 27.679 10.169 4.080 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 8 . 3110 . 1 1 7 LYS N N 27.254 6.659 2.954 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 8 . 3111 . 1 1 7 LYS NZ N 28.364 10.941 3.955 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 8 . 3112 . 1 1 7 LYS O O 28.468 6.330 5.372 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 8 . 3113 . 1 1 8 . CAA C 33.316 5.994 5.310 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 8 . 3114 . 1 1 8 . CAB C 32.821 4.583 7.292 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 8 . 3115 . 1 1 8 . CAE C 30.965 5.473 5.903 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 8 . 3116 . 1 1 8 . CAF C 32.387 4.912 5.862 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 8 . 3117 . 1 1 8 . HAA H 33.142 6.113 4.240 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 8 . 3118 . 1 1 8 . HAB H 34.354 5.704 5.479 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 8 . 3119 . 1 1 8 . HAC H 33.115 6.939 5.817 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 8 . 3120 . 1 1 8 . HAD H 32.207 3.772 7.683 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 8 . 3121 . 1 1 8 . HAE H 32.704 5.466 7.920 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 8 . 3122 . 1 1 8 . HAF H 33.868 4.279 7.290 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 8 . 3123 . 1 1 8 . HAG H 30.334 4.793 6.476 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 8 . 3124 . 1 1 8 . HAH H 30.977 6.446 6.396 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 8 . 3125 . 1 1 8 . HAI H 30.964 5.410 3.750 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 8 . 3126 . 1 1 8 . HAL H 33.308 3.552 4.494 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 8 . 3127 . 1 1 8 . NAC N 30.408 5.630 4.552 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 8 . 3128 . 1 1 8 . NAD N 32.474 3.705 5.025 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 8 . 3129 . 1 1 9 DPR C C 31.517 2.808 4.961 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 8 . 3130 . 1 1 9 DPR CA C 31.760 1.588 4.066 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 8 . 3131 . 1 1 9 DPR CB C 31.168 0.320 4.694 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 8 . 3132 . 1 1 9 DPR CD C 30.495 0.395 2.331 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 8 . 3133 . 1 1 9 DPR CG C 30.734 -0.541 3.535 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 8 . 3134 . 1 1 9 DPR HA H 32.817 1.450 3.905 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 8 . 3135 . 1 1 9 DPR HB2 H 31.921 -0.189 5.289 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3136 . 1 1 9 DPR HB3 H 30.315 0.566 5.315 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3137 . 1 1 9 DPR HD2 H 31.018 0.026 1.456 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3138 . 1 1 9 DPR HD3 H 29.439 0.497 2.121 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3139 . 1 1 9 DPR HG2 H 31.512 -1.259 3.300 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3140 . 1 1 9 DPR HG3 H 29.819 -1.063 3.778 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3141 . 1 1 9 DPR N N 31.054 1.689 2.758 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 8 . 3142 . 1 1 9 DPR O O 30.469 2.902 5.596 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 8 . 3143 . 1 1 10 VAL C C 30.967 2.812 2.094 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 8 . 3144 . 1 1 10 VAL CA C 30.214 2.795 0.764 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 8 . 3145 . 1 1 10 VAL CB C 30.596 4.034 -0.053 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 8 . 3146 . 1 1 10 VAL CG1 C 32.098 4.015 -0.351 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3147 . 1 1 10 VAL CG2 C 29.809 4.051 -1.369 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3148 . 1 1 10 VAL H H 28.415 3.376 1.715 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 8 . 3149 . 1 1 10 VAL HA H 30.488 1.906 0.207 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 8 . 3150 . 1 1 10 VAL HB H 30.360 4.921 0.517 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 8 . 3151 . 1 1 10 VAL HG11 H 32.391 3.023 -0.659 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 8 . 3152 . 1 1 10 VAL HG12 H 32.645 4.292 0.538 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 8 . 3153 . 1 1 10 VAL HG13 H 32.318 4.717 -1.141 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 8 . 3154 . 1 1 10 VAL HG21 H 30.085 4.924 -1.943 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 8 . 3155 . 1 1 10 VAL HG22 H 28.748 4.083 -1.159 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 8 . 3156 . 1 1 10 VAL HG23 H 30.037 3.162 -1.936 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 8 . 3157 . 1 1 10 VAL N N 28.776 2.802 1.008 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 8 . 3158 . 1 1 10 VAL O O 31.466 3.854 2.519 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 8 . 3159 . 1 1 11 GLN C C 27.942 2.065 0.281 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 8 . 3160 . 1 1 11 GLN CA C 26.474 2.191 0.634 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 8 . 3161 . 1 1 11 GLN CB C 26.245 1.862 2.113 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 8 . 3162 . 1 1 11 GLN CD C 24.527 1.874 3.943 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 8 . 3163 . 1 1 11 GLN CG C 24.783 2.154 2.467 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 8 . 3164 . 1 1 11 GLN H H 25.917 0.393 -0.347 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 8 . 3165 . 1 1 11 GLN HA H 26.191 3.217 0.468 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 8 . 3166 . 1 1 11 GLN HB2 H 26.455 0.816 2.284 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3167 . 1 1 11 GLN HB3 H 26.894 2.465 2.729 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3168 . 1 1 11 GLN HE21 H 23.081 0.560 3.597 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 8 . 3169 . 1 1 11 GLN HE22 H 23.434 0.838 5.233 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 8 . 3170 . 1 1 11 GLN HG2 H 24.567 3.192 2.258 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3171 . 1 1 11 GLN HG3 H 24.139 1.528 1.868 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3172 . 1 1 11 GLN N N 25.654 1.330 -0.217 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 8 . 3173 . 1 1 11 GLN NE2 N 23.605 1.019 4.286 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3174 . 1 1 11 GLN O O 28.308 1.337 -0.638 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 8 . 3175 . 1 1 11 GLN OE1 O 25.169 2.468 4.809 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3176 . 1 1 12 LYS C C 24.566 1.795 -0.831 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 8 . 3177 . 1 1 12 LYS CA C 23.813 0.796 -1.706 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 8 . 3178 . 1 1 12 LYS CB C 23.774 1.304 -3.154 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 8 . 3179 . 1 1 12 LYS CD C 25.144 1.968 -5.138 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 8 . 3180 . 1 1 12 LYS CE C 26.567 2.144 -5.672 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 8 . 3181 . 1 1 12 LYS CG C 25.200 1.480 -3.690 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 8 . 3182 . 1 1 12 LYS H H 21.803 1.346 -1.299 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 8 . 3183 . 1 1 12 LYS HA H 24.339 -0.148 -1.687 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 8 . 3184 . 1 1 12 LYS HB2 H 23.245 0.590 -3.768 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3185 . 1 1 12 LYS HB3 H 23.261 2.253 -3.186 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3186 . 1 1 12 LYS HD2 H 24.618 1.243 -5.744 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3187 . 1 1 12 LYS HD3 H 24.627 2.914 -5.180 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3188 . 1 1 12 LYS HE2 H 27.089 2.873 -5.069 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3189 . 1 1 12 LYS HE3 H 27.088 1.200 -5.628 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 8 . 3190 . 1 1 12 LYS HG2 H 25.729 2.205 -3.090 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3191 . 1 1 12 LYS HG3 H 25.716 0.534 -3.651 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3192 . 1 1 12 LYS HZ1 H 26.941 3.560 -7.152 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 8 . 3193 . 1 1 12 LYS HZ2 H 25.520 2.662 -7.396 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 8 . 3194 . 1 1 12 LYS HZ3 H 27.036 1.955 -7.692 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 8 . 3195 . 1 1 12 LYS N N 22.443 0.608 -1.220 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 8 . 3196 . 1 1 12 LYS NZ N 26.512 2.616 -7.085 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 8 . 3197 . 1 1 12 LYS O O 24.186 2.964 -0.723 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 8 . 3198 . 1 1 13 PHE C C 22.043 -0.545 -0.683 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 8 . 3199 . 1 1 13 PHE CA C 20.585 -0.606 -0.232 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 8 . 3200 . 1 1 13 PHE CB C 20.544 -1.087 1.235 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 8 . 3201 . 1 1 13 PHE CD1 C 18.004 -0.644 1.144 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3202 . 1 1 13 PHE CD2 C 18.982 -1.597 3.145 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3203 . 1 1 13 PHE CE1 C 16.744 -0.674 1.748 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3204 . 1 1 13 PHE CE2 C 17.718 -1.623 3.746 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3205 . 1 1 13 PHE CG C 19.137 -1.111 1.838 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 8 . 3206 . 1 1 13 PHE CZ C 16.600 -1.162 3.044 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 8 . 3207 . 1 1 13 PHE H H 20.025 -2.485 -1.054 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 8 . 3208 . 1 1 13 PHE HA H 20.169 0.389 -0.293 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 8 . 3209 . 1 1 13 PHE HB2 H 20.952 -2.085 1.282 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3210 . 1 1 13 PHE HB3 H 21.166 -0.433 1.828 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3211 . 1 1 13 PHE HD1 H 18.090 -0.261 0.157 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3212 . 1 1 13 PHE HD2 H 19.843 -1.958 3.689 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3213 . 1 1 13 PHE HE1 H 15.880 -0.318 1.207 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3214 . 1 1 13 PHE HE2 H 17.606 -1.998 4.753 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3215 . 1 1 13 PHE HZ H 15.626 -1.180 3.503 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 8 . 3216 . 1 1 13 PHE N N 19.840 -1.523 -1.111 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 8 . 3217 . 1 1 13 PHE O O 22.788 -1.519 -0.561 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 8 . 3218 . 1 1 14 ILE C C 18.935 -1.092 -2.002 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 8 . 3219 . 1 1 14 ILE CA C 18.269 -2.177 -2.856 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 8 . 3220 . 1 1 14 ILE CB C 19.027 -2.254 -4.201 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 8 . 3221 . 1 1 14 ILE CD1 C 17.435 -0.593 -5.295 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3222 . 1 1 14 ILE CG1 C 18.901 -0.929 -4.981 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3223 . 1 1 14 ILE CG2 C 18.523 -3.419 -5.058 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3224 . 1 1 14 ILE H H 16.493 -0.994 -2.898 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 8 . 3225 . 1 1 14 ILE HA H 18.374 -3.126 -2.349 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 8 . 3226 . 1 1 14 ILE HB H 20.073 -2.425 -3.985 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 8 . 3227 . 1 1 14 ILE HD11 H 17.393 -0.001 -6.198 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 8 . 3228 . 1 1 14 ILE HD12 H 17.015 -0.026 -4.482 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 8 . 3229 . 1 1 14 ILE HD13 H 16.867 -1.498 -5.437 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 8 . 3230 . 1 1 14 ILE HG12 H 19.327 -0.131 -4.394 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 8 . 3231 . 1 1 14 ILE HG13 H 19.449 -1.015 -5.908 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 8 . 3232 . 1 1 14 ILE HG21 H 19.210 -3.583 -5.875 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 8 . 3233 . 1 1 14 ILE HG22 H 17.548 -3.186 -5.457 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 8 . 3234 . 1 1 14 ILE HG23 H 18.466 -4.313 -4.456 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 8 . 3235 . 1 1 14 ILE N N 16.835 -1.907 -3.044 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 8 . 3236 . 1 1 14 ILE O O 18.654 0.100 -2.150 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 8 . 3237 . 1 1 15 ARG C C 15.980 -2.865 -3.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 8 . 3238 . 1 1 15 ARG CA C 14.529 -2.428 -3.607 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 8 . 3239 . 1 1 15 ARG CB C 13.591 -3.116 -2.592 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 8 . 3240 . 1 1 15 ARG CD C 12.504 -5.374 -1.998 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 8 . 3241 . 1 1 15 ARG CG C 13.542 -4.622 -2.870 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 8 . 3242 . 1 1 15 ARG CZ C 12.605 -4.145 0.126 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 8 . 3243 . 1 1 15 ARG H H 14.712 -3.106 -5.608 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 8 . 3244 . 1 1 15 ARG HA H 14.478 -1.362 -3.449 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 8 . 3245 . 1 1 15 ARG HB2 H 13.989 -2.946 -1.607 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3246 . 1 1 15 ARG HB3 H 12.604 -2.699 -2.658 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3247 . 1 1 15 ARG HD2 H 11.526 -4.967 -2.199 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3248 . 1 1 15 ARG HD3 H 12.506 -6.417 -2.287 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3249 . 1 1 15 ARG HE H 13.103 -6.066 -0.093 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 8 . 3250 . 1 1 15 ARG HG2 H 13.303 -4.780 -3.909 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3251 . 1 1 15 ARG HG3 H 14.514 -5.034 -2.670 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3252 . 1 1 15 ARG HH11 H 11.594 -3.212 -1.323 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 8 . 3253 . 1 1 15 ARG HH12 H 11.867 -2.289 0.113 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 8 . 3254 . 1 1 15 ARG HH21 H 13.434 -4.875 1.796 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 8 . 3255 . 1 1 15 ARG HH22 H 12.905 -3.227 1.881 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 8 . 3256 . 1 1 15 ARG N N 14.083 -2.705 -4.972 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 8 . 3257 . 1 1 15 ARG NE N 12.755 -5.278 -0.556 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 8 . 3258 . 1 1 15 ARG NH1 N 11.973 -3.137 -0.403 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 8 . 3259 . 1 1 15 ARG NH2 N 13.013 -4.077 1.364 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 8 . 3260 . 1 1 15 ARG O O 16.320 -4.020 -3.656 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 8 . 3261 . 1 1 16 VAL C C 12.853 -2.419 -5.375 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 8 . 3262 . 1 1 16 VAL CA C 12.518 -2.746 -6.826 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 8 . 3263 . 1 1 16 VAL CB C 11.493 -1.687 -7.324 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 8 . 3264 . 1 1 16 VAL CG1 C 11.221 -1.828 -8.831 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3265 . 1 1 16 VAL CG2 C 10.157 -1.838 -6.547 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3266 . 1 1 16 VAL H H 11.709 -4.613 -6.141 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 8 . 3267 . 1 1 16 VAL HA H 13.417 -2.658 -7.417 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 8 . 3268 . 1 1 16 VAL HB H 11.899 -0.703 -7.139 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 8 . 3269 . 1 1 16 VAL HG11 H 10.743 -0.926 -9.186 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 8 . 3270 . 1 1 16 VAL HG12 H 10.566 -2.665 -9.011 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 8 . 3271 . 1 1 16 VAL HG13 H 12.153 -1.963 -9.358 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 8 . 3272 . 1 1 16 VAL HG21 H 9.321 -1.630 -7.203 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 8 . 3273 . 1 1 16 VAL HG22 H 10.133 -1.141 -5.722 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 8 . 3274 . 1 1 16 VAL HG23 H 10.064 -2.847 -6.165 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 8 . 3275 . 1 1 16 VAL N N 11.994 -4.122 -6.960 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 8 . 3276 . 1 1 16 VAL O O 12.014 -1.899 -4.649 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 8 . 3277 . 1 1 17 . C11 C 10.599 -8.736 -8.360 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 8 . 3278 . 1 1 17 . C12 C 11.946 -8.448 -9.003 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 8 . 3279 . 1 1 17 . C13 C 12.120 -6.950 -9.219 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 8 . 3280 . 1 1 17 . C14 C 11.333 -6.132 -8.204 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 8 . 3281 . 1 1 17 . C15 C 11.908 -4.716 -8.137 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 8 . 3282 . 1 1 17 . C7 C 12.805 -7.202 -6.493 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 8 . 3283 . 1 1 17 . C8 C 11.364 -6.838 -6.858 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 8 . 3284 . 1 1 17 . C9 C 10.505 -8.087 -6.985 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 8 . 3285 . 1 1 17 . H111 H 10.472 -9.813 -8.251 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 8 . 3286 . 1 1 17 . H112 H 9.805 -8.344 -8.996 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 8 . 3287 . 1 1 17 . H12 H 11.993 -8.962 -9.964 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 8 . 3288 . 1 1 17 . H14 H 10.301 -6.065 -8.546 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 8 . 3289 . 1 1 17 . H8 H 10.948 -6.184 -6.093 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 8 . 3290 . 1 1 17 . H9 H 10.824 -8.808 -6.232 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 8 . 3291 . 1 1 17 . HAG H 12.744 -8.815 -8.359 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 8 . 3292 . 1 1 17 . HAI H 9.465 -7.820 -6.795 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 8 . 3293 . 1 1 17 . HAK H 13.177 -6.699 -9.135 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 8 . 3294 . 1 1 17 . HAL H 11.775 -6.700 -10.222 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 8 . 3295 . 1 1 17 . O1 O 13.109 -8.379 -6.307 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 8 . 3296 . 1 1 17 . OAB O 12.274 -4.171 -9.177 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 8 . 3297 . 1 1 18 GLY C C 15.071 -7.169 -4.662 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 8 . 3298 . 1 1 18 GLY CA C 15.050 -6.503 -6.025 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 8 . 3299 . 1 1 18 GLY H H 13.381 -5.307 -6.540 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 8 . 3300 . 1 1 18 GLY HA2 H 15.493 -7.162 -6.761 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 8 . 3301 . 1 1 18 GLY HA3 H 15.605 -5.579 -5.981 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 8 . 3302 . 1 1 18 GLY N N 13.669 -6.230 -6.387 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 8 . 3303 . 1 1 18 GLY O O 14.349 -8.135 -4.426 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 8 . 3304 . 1 1 19 VAL C C 16.649 -6.297 -1.448 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 8 . 3305 . 1 1 19 VAL CA C 15.891 -7.223 -2.413 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 8 . 3306 . 1 1 19 VAL CB C 16.547 -8.616 -2.479 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 8 . 3307 . 1 1 19 VAL CG1 C 17.987 -8.476 -2.978 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3308 . 1 1 19 VAL CG2 C 16.530 -9.305 -1.100 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3309 . 1 1 19 VAL H H 16.409 -5.858 -3.953 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 8 . 3310 . 1 1 19 VAL HA H 14.861 -7.320 -2.084 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 8 . 3311 . 1 1 19 VAL HB H 15.996 -9.223 -3.184 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 8 . 3312 . 1 1 19 VAL HG11 H 18.363 -9.445 -3.270 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 8 . 3313 . 1 1 19 VAL HG12 H 18.605 -8.073 -2.189 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 8 . 3314 . 1 1 19 VAL HG13 H 18.011 -7.810 -3.828 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 8 . 3315 . 1 1 19 VAL HG21 H 17.413 -9.034 -0.540 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 8 . 3316 . 1 1 19 VAL HG22 H 16.514 -10.377 -1.236 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 8 . 3317 . 1 1 19 VAL HG23 H 15.646 -9.005 -0.553 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 8 . 3318 . 1 1 19 VAL N N 15.863 -6.645 -3.744 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 8 . 3319 . 1 1 19 VAL O O 17.029 -5.192 -1.821 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 8 . 3320 . 1 1 20 THR C C 19.002 -6.421 0.986 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 8 . 3321 . 1 1 20 THR CA C 17.585 -5.908 0.773 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 8 . 3322 . 1 1 20 THR CB C 16.855 -5.929 2.122 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 8 . 3323 . 1 1 20 THR CG2 C 15.436 -5.376 1.972 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3324 . 1 1 20 THR H H 16.552 -7.620 0.059 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 8 . 3325 . 1 1 20 THR HA H 17.631 -4.886 0.423 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 8 . 3326 . 1 1 20 THR HB H 17.400 -5.323 2.831 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 8 . 3327 . 1 1 20 THR HG1 H 15.871 -7.541 2.589 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3328 . 1 1 20 THR HG21 H 15.094 -4.995 2.924 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 8 . 3329 . 1 1 20 THR HG22 H 14.780 -6.168 1.650 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 8 . 3330 . 1 1 20 THR HG23 H 15.427 -4.579 1.242 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 8 . 3331 . 1 1 20 THR N N 16.873 -6.738 -0.206 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 8 . 3332 . 1 1 20 THR O O 19.217 -7.487 1.565 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 8 . 3333 . 1 1 20 THR OG1 O 16.792 -7.266 2.598 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3334 . 1 1 21 ILE C C 22.180 -4.674 0.766 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 8 . 3335 . 1 1 21 ILE CA C 21.377 -5.964 0.660 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 8 . 3336 . 1 1 21 ILE CB C 21.848 -6.778 -0.549 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 8 . 3337 . 1 1 21 ILE CD1 C 23.778 -7.991 -1.574 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 8 . 3338 . 1 1 21 ILE CG1 C 23.327 -7.143 -0.385 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 8 . 3339 . 1 1 21 ILE CG2 C 21.669 -5.950 -1.822 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3340 . 1 1 21 ILE H H 19.717 -4.791 0.084 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 8 . 3341 . 1 1 21 ILE HA H 21.524 -6.546 1.559 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 8 . 3342 . 1 1 21 ILE HB H 21.259 -7.681 -0.624 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 8 . 3343 . 1 1 21 ILE HD11 H 23.860 -7.367 -2.452 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 8 . 3344 . 1 1 21 ILE HD12 H 23.053 -8.772 -1.755 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 8 . 3345 . 1 1 21 ILE HD13 H 24.738 -8.435 -1.356 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 8 . 3346 . 1 1 21 ILE HG12 H 23.920 -6.241 -0.344 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 8 . 3347 . 1 1 21 ILE HG13 H 23.461 -7.704 0.527 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 8 . 3348 . 1 1 21 ILE HG21 H 20.682 -5.511 -1.830 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 8 . 3349 . 1 1 21 ILE HG22 H 21.787 -6.587 -2.686 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 8 . 3350 . 1 1 21 ILE HG23 H 22.412 -5.165 -1.848 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 8 . 3351 . 1 1 21 ILE N N 19.965 -5.631 0.523 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 8 . 3352 . 1 1 21 ILE O O 21.977 -3.746 -0.018 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 8 . 3353 . 1 1 22 ARG C C 25.336 -3.673 1.569 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 8 . 3354 . 1 1 22 ARG CA C 23.887 -3.414 1.959 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 8 . 3355 . 1 1 22 ARG CB C 23.788 -3.030 3.435 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 8 . 3356 . 1 1 22 ARG CD C 24.575 -1.338 5.188 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 8 . 3357 . 1 1 22 ARG CG C 24.600 -1.762 3.700 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 8 . 3358 . 1 1 22 ARG CZ C 22.329 -2.010 5.931 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 8 . 3359 . 1 1 22 ARG H H 23.188 -5.365 2.355 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 8 . 3360 . 1 1 22 ARG HA H 23.503 -2.598 1.365 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 8 . 3361 . 1 1 22 ARG HB2 H 22.752 -2.847 3.647 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3362 . 1 1 22 ARG HB3 H 24.155 -3.838 4.050 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3363 . 1 1 22 ARG HD2 H 24.994 -2.141 5.772 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3364 . 1 1 22 ARG HD3 H 25.196 -0.463 5.309 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3365 . 1 1 22 ARG HE H 22.954 -0.117 5.821 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 8 . 3366 . 1 1 22 ARG HG2 H 25.625 -1.935 3.413 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3367 . 1 1 22 ARG HG3 H 24.199 -0.963 3.099 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3368 . 1 1 22 ARG HH11 H 23.645 -3.510 5.748 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 8 . 3369 . 1 1 22 ARG HH12 H 22.015 -3.982 6.096 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 8 . 3370 . 1 1 22 ARG HH21 H 20.832 -0.730 6.288 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 8 . 3371 . 1 1 22 ARG HH22 H 20.425 -2.409 6.402 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 8 . 3372 . 1 1 22 ARG N N 23.078 -4.607 1.748 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 8 . 3373 . 1 1 22 ARG NE N 23.225 -1.052 5.703 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 8 . 3374 . 1 1 22 ARG NH1 N 22.692 -3.265 5.924 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 8 . 3375 . 1 1 22 ARG NH2 N 21.100 -1.691 6.230 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 8 . 3376 . 1 1 22 ARG O O 25.996 -4.546 2.134 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 8 . 3377 . 1 1 23 GLU C C 27.662 -1.898 -0.726 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 8 . 3378 . 1 1 23 GLU CA C 27.204 -3.070 0.139 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 8 . 3379 . 1 1 23 GLU CB C 27.351 -4.406 -0.610 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 8 . 3380 . 1 1 23 GLU CD C 26.657 -3.411 -2.835 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 8 . 3381 . 1 1 23 GLU CG C 26.374 -4.494 -1.797 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 8 . 3382 . 1 1 23 GLU H H 25.251 -2.228 0.179 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 8 . 3383 . 1 1 23 GLU HA H 27.838 -3.103 1.009 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 8 . 3384 . 1 1 23 GLU HB2 H 28.362 -4.496 -0.978 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3385 . 1 1 23 GLU HB3 H 27.150 -5.218 0.074 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3386 . 1 1 23 GLU HG2 H 26.471 -5.463 -2.264 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3387 . 1 1 23 GLU HG3 H 25.364 -4.378 -1.431 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3388 . 1 1 23 GLU N N 25.827 -2.908 0.596 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 8 . 3389 . 1 1 23 GLU O O 26.866 -1.021 -1.063 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 8 . 3390 . 1 1 23 GLU OE1 O 27.761 -3.390 -3.353 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 8 . 3391 . 1 1 23 GLU OE2 O 25.766 -2.619 -3.094 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3392 . 1 1 24 LYS C C 28.547 -0.155 -2.777 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 8 . 3393 . 1 1 24 LYS CA C 29.576 -0.859 -1.896 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 8 . 3394 . 1 1 24 LYS CB C 30.665 -1.486 -2.777 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 8 . 3395 . 1 1 24 LYS CD C 32.427 -1.058 -4.488 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 8 . 3396 . 1 1 24 LYS CE C 33.095 0.011 -5.349 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 8 . 3397 . 1 1 24 LYS CG C 31.335 -0.411 -3.635 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 8 . 3398 . 1 1 24 LYS H H 29.524 -2.635 -0.751 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 8 . 3399 . 1 1 24 LYS HA H 30.038 -0.129 -1.249 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 8 . 3400 . 1 1 24 LYS HB2 H 31.407 -1.956 -2.149 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 8 . 3401 . 1 1 24 LYS HB3 H 30.219 -2.227 -3.422 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 8 . 3402 . 1 1 24 LYS HD2 H 33.164 -1.515 -3.843 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 8 . 3403 . 1 1 24 LYS HD3 H 31.989 -1.810 -5.126 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 8 . 3404 . 1 1 24 LYS HE2 H 32.355 0.465 -5.991 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 8 . 3405 . 1 1 24 LYS HE3 H 33.530 0.766 -4.711 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 8 . 3406 . 1 1 24 LYS HG2 H 30.605 0.050 -4.282 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 8 . 3407 . 1 1 24 LYS HG3 H 31.777 0.338 -2.996 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 8 . 3408 . 1 1 24 LYS HZ1 H 33.780 -0.843 -7.120 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 8 . 3409 . 1 1 24 LYS HZ2 H 34.494 -1.486 -5.719 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 8 . 3410 . 1 1 24 LYS HZ3 H 34.955 0.049 -6.284 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 8 . 3411 . 1 1 24 LYS N N 28.960 -1.903 -1.068 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 8 . 3412 . 1 1 24 LYS NZ N 34.162 -0.614 -6.180 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 8 . 3413 . 1 1 24 LYS O O 27.622 -0.786 -3.285 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 8 . 3414 . 1 1 25 NH2 HN1 H 27.956 1.606 -3.456 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 8 . 3415 . 1 1 25 NH2 HN2 H 29.379 1.627 -2.547 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 8 . 3416 . 1 1 25 NH2 N N 28.638 1.132 -2.950 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 9 . 3417 . 1 1 1 ACE C C 12.261 -0.297 -1.506 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 9 . 3418 . 1 1 1 ACE CH3 C 12.170 -0.573 -0.007 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 9 . 3419 . 1 1 1 ACE H1 H 12.568 -1.555 0.202 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 9 . 3420 . 1 1 1 ACE H2 H 11.138 -0.527 0.306 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 9 . 3421 . 1 1 1 ACE H3 H 12.742 0.169 0.530 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 9 . 3422 . 1 1 1 ACE O O 11.535 -0.894 -2.301 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 9 . 3423 . 1 1 2 GLU C C 14.684 1.631 -3.528 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 9 . 3424 . 1 1 2 GLU CA C 13.335 0.955 -3.291 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 9 . 3425 . 1 1 2 GLU CB C 12.180 1.853 -3.759 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 9 . 3426 . 1 1 2 GLU CD C 10.937 3.988 -3.357 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 9 . 3427 . 1 1 2 GLU CG C 12.095 3.112 -2.888 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 9 . 3428 . 1 1 2 GLU H H 13.707 1.054 -1.206 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 9 . 3429 . 1 1 2 GLU HA H 13.311 0.045 -3.866 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 9 . 3430 . 1 1 2 GLU HB2 H 12.346 2.140 -4.787 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3431 . 1 1 2 GLU HB3 H 11.251 1.306 -3.687 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3432 . 1 1 2 GLU HG2 H 11.934 2.825 -1.860 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3433 . 1 1 2 GLU HG3 H 13.011 3.668 -2.963 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3434 . 1 1 2 GLU N N 13.156 0.610 -1.884 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 9 . 3435 . 1 1 2 GLU O O 15.377 1.326 -4.501 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 9 . 3436 . 1 1 2 GLU OE1 O 10.960 4.402 -4.504 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3437 . 1 1 2 GLU OE2 O 10.046 4.232 -2.561 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3438 . 1 1 3 ARG C C 17.019 3.328 -1.356 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 9 . 3439 . 1 1 3 ARG CA C 16.334 3.244 -2.719 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 9 . 3440 . 1 1 3 ARG CB C 16.053 4.654 -3.232 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 9 . 3441 . 1 1 3 ARG CD C 15.169 5.989 -5.151 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 9 . 3442 . 1 1 3 ARG CG C 15.468 4.578 -4.645 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 9 . 3443 . 1 1 3 ARG CZ C 14.254 7.040 -7.142 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 9 . 3444 . 1 1 3 ARG H H 14.467 2.707 -1.866 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 9 . 3445 . 1 1 3 ARG HA H 16.991 2.741 -3.418 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 9 . 3446 . 1 1 3 ARG HB2 H 15.342 5.135 -2.576 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3447 . 1 1 3 ARG HB3 H 16.961 5.220 -3.246 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3448 . 1 1 3 ARG HD2 H 14.466 6.466 -4.486 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3449 . 1 1 3 ARG HD3 H 16.085 6.562 -5.173 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3450 . 1 1 3 ARG HE H 14.467 5.062 -6.924 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 9 . 3451 . 1 1 3 ARG HG2 H 16.182 4.105 -5.303 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3452 . 1 1 3 ARG HG3 H 14.558 4.002 -4.632 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3453 . 1 1 3 ARG HH11 H 14.805 8.265 -5.658 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 9 . 3454 . 1 1 3 ARG HH12 H 14.159 9.039 -7.066 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 9 . 3455 . 1 1 3 ARG HH21 H 13.618 6.072 -8.776 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 9 . 3456 . 1 1 3 ARG HH22 H 13.487 7.798 -8.831 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 9 . 3457 . 1 1 3 ARG N N 15.059 2.527 -2.624 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 9 . 3458 . 1 1 3 ARG NE N 14.598 5.933 -6.493 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 9 . 3459 . 1 1 3 ARG NH1 N 14.420 8.205 -6.578 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 9 . 3460 . 1 1 3 ARG NH2 N 13.747 6.963 -8.343 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 9 . 3461 . 1 1 3 ARG O O 16.360 3.603 -0.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 9 . 3462 . 1 1 4 PHE C C 20.516 3.622 -0.192 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 9 . 3463 . 1 1 4 PHE CA C 19.044 3.193 -0.005 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 9 . 3464 . 1 1 4 PHE CB C 18.976 1.825 0.696 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 9 . 3465 . 1 1 4 PHE CD1 C 19.960 3.025 2.774 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3466 . 1 1 4 PHE CD2 C 19.488 0.643 2.852 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3467 . 1 1 4 PHE CE1 C 20.397 2.973 4.103 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3468 . 1 1 4 PHE CE2 C 19.923 0.602 4.180 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3469 . 1 1 4 PHE CG C 19.501 1.848 2.134 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 9 . 3470 . 1 1 4 PHE CZ C 20.377 1.765 4.805 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 9 . 3471 . 1 1 4 PHE H H 18.843 2.892 -2.126 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 9 . 3472 . 1 1 4 PHE HA H 18.538 3.925 0.606 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 9 . 3473 . 1 1 4 PHE HB2 H 17.952 1.490 0.710 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3474 . 1 1 4 PHE HB3 H 19.563 1.115 0.125 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3475 . 1 1 4 PHE HD1 H 19.985 3.967 2.259 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3476 . 1 1 4 PHE HD2 H 19.141 -0.261 2.376 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3477 . 1 1 4 PHE HE1 H 20.745 3.869 4.590 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3478 . 1 1 4 PHE HE2 H 19.909 -0.331 4.724 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3479 . 1 1 4 PHE HZ H 20.712 1.731 5.830 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 9 . 3480 . 1 1 4 PHE N N 18.345 3.106 -1.303 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 9 . 3481 . 1 1 4 PHE O O 21.412 2.787 -0.386 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 9 . 3482 . 1 1 5 TYR C C 22.503 6.254 1.014 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 9 . 3483 . 1 1 5 TYR CA C 22.127 5.468 -0.238 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 9 . 3484 . 1 1 5 TYR CB C 22.209 6.385 -1.464 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 9 . 3485 . 1 1 5 TYR CD1 C 24.688 6.050 -1.827 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3486 . 1 1 5 TYR CD2 C 23.856 8.307 -1.509 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3487 . 1 1 5 TYR CE1 C 25.991 6.550 -1.952 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3488 . 1 1 5 TYR CE2 C 25.160 8.804 -1.634 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3489 . 1 1 5 TYR CG C 23.618 6.928 -1.606 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 9 . 3490 . 1 1 5 TYR CZ C 26.226 7.926 -1.856 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 9 . 3491 . 1 1 5 TYR H H 20.024 5.549 0.074 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 9 . 3492 . 1 1 5 TYR HA H 22.828 4.654 -0.359 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 9 . 3493 . 1 1 5 TYR HB2 H 21.951 5.822 -2.349 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3494 . 1 1 5 TYR HB3 H 21.516 7.205 -1.345 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3495 . 1 1 5 TYR HD1 H 24.510 4.988 -1.907 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3496 . 1 1 5 TYR HD2 H 23.034 8.987 -1.338 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3497 . 1 1 5 TYR HE1 H 26.813 5.872 -2.122 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3498 . 1 1 5 TYR HE2 H 25.342 9.867 -1.560 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3499 . 1 1 5 TYR HH H 28.071 7.702 -2.291 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 9 . 3500 . 1 1 5 TYR N N 20.765 4.933 -0.101 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 9 . 3501 . 1 1 5 TYR O O 21.891 7.275 1.328 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 9 . 3502 . 1 1 5 TYR OH O 27.510 8.415 -1.977 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 9 . 3503 . 1 1 6 GLU C C 25.222 5.720 3.464 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 9 . 3504 . 1 1 6 GLU CA C 23.943 6.393 2.965 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 9 . 3505 . 1 1 6 GLU CB C 22.814 6.274 3.998 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 9 . 3506 . 1 1 6 GLU CD C 23.586 8.326 5.280 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 9 . 3507 . 1 1 6 GLU CG C 23.212 6.845 5.365 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 9 . 3508 . 1 1 6 GLU H H 23.937 4.931 1.451 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 9 . 3509 . 1 1 6 GLU HA H 24.137 7.431 2.764 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 9 . 3510 . 1 1 6 GLU HB2 H 21.949 6.807 3.635 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3511 . 1 1 6 GLU HB3 H 22.560 5.233 4.114 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3512 . 1 1 6 GLU HG2 H 22.378 6.735 6.039 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3513 . 1 1 6 GLU HG3 H 24.045 6.284 5.748 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3514 . 1 1 6 GLU N N 23.501 5.756 1.737 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 9 . 3515 . 1 1 6 GLU O O 25.575 4.639 3.001 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 9 . 3516 . 1 1 6 GLU OE1 O 24.549 8.647 4.607 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3517 . 1 1 6 GLU OE2 O 22.896 9.121 5.896 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3518 . 1 1 7 LYS C C 26.912 5.257 6.366 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 9 . 3519 . 1 1 7 LYS CA C 27.154 5.780 4.952 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 9 . 3520 . 1 1 7 LYS CB C 28.266 6.836 4.967 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 9 . 3521 . 1 1 7 LYS CD C 28.893 9.156 5.819 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 9 . 3522 . 1 1 7 LYS CE C 30.230 8.678 6.405 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 9 . 3523 . 1 1 7 LYS CG C 27.832 8.036 5.824 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 9 . 3524 . 1 1 7 LYS H H 25.596 7.212 4.750 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 9 . 3525 . 1 1 7 LYS HA H 27.473 4.952 4.333 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 9 . 3526 . 1 1 7 LYS HB2 H 29.151 6.387 5.382 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3527 . 1 1 7 LYS HB3 H 28.466 7.165 3.959 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3528 . 1 1 7 LYS HD2 H 29.052 9.485 4.803 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3529 . 1 1 7 LYS HD3 H 28.528 9.988 6.405 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3530 . 1 1 7 LYS HE2 H 30.649 7.894 5.800 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3531 . 1 1 7 LYS HE3 H 30.920 9.509 6.424 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 9 . 3532 . 1 1 7 LYS HG2 H 26.904 8.430 5.438 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3533 . 1 1 7 LYS HG3 H 27.680 7.708 6.840 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3534 . 1 1 7 LYS HZ1 H 30.684 8.672 8.437 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 9 . 3535 . 1 1 7 LYS HZ2 H 30.173 7.167 7.838 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 9 . 3536 . 1 1 7 LYS HZ3 H 29.045 8.410 8.095 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 9 . 3537 . 1 1 7 LYS N N 25.919 6.352 4.409 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 9 . 3538 . 1 1 7 LYS NZ N 30.018 8.195 7.799 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 9 . 3539 . 1 1 7 LYS O O 26.273 5.913 7.189 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 9 . 3540 . 1 1 8 . CAA C 28.660 4.721 9.555 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 9 . 3541 . 1 1 8 . CAB C 28.456 2.248 9.721 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 9 . 3542 . 1 1 8 . CAE C 27.192 3.492 7.974 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 9 . 3543 . 1 1 8 . CAF C 28.510 3.429 8.748 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 9 . 3544 . 1 1 8 . HAA H 29.708 5.020 9.572 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 9 . 3545 . 1 1 8 . HAB H 28.314 4.554 10.575 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 9 . 3546 . 1 1 8 . HAC H 28.064 5.509 9.093 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 9 . 3547 . 1 1 8 . HAD H 28.089 1.364 9.201 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 9 . 3548 . 1 1 8 . HAE H 27.787 2.489 10.548 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 9 . 3549 . 1 1 8 . HAF H 29.455 2.056 10.110 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 9 . 3550 . 1 1 8 . HAG H 26.799 2.481 7.868 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 9 . 3551 . 1 1 8 . HAH H 26.475 4.098 8.528 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 9 . 3552 . 1 1 8 . HAI H 27.894 3.566 5.942 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 9 . 3553 . 1 1 8 . HAL H 30.219 4.072 7.629 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 9 . 3554 . 1 1 8 . NAC N 27.395 4.078 6.642 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 9 . 3555 . 1 1 8 . NAD N 29.641 3.279 7.821 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 9 . 3556 . 1 1 9 DPR C C 29.917 2.137 7.244 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 9 . 3557 . 1 1 9 DPR CA C 31.140 2.202 6.325 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 9 . 3558 . 1 1 9 DPR CB C 32.118 1.049 6.612 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 9 . 3559 . 1 1 9 DPR CD C 31.210 0.710 4.369 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 9 . 3560 . 1 1 9 DPR CG C 31.785 -0.009 5.601 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 9 . 3561 . 1 1 9 DPR HA H 31.648 3.142 6.469 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 9 . 3562 . 1 1 9 DPR HB2 H 33.143 1.385 6.492 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3563 . 1 1 9 DPR HB3 H 31.973 0.665 7.615 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3564 . 1 1 9 DPR HD2 H 31.968 0.815 3.600 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3565 . 1 1 9 DPR HD3 H 30.353 0.174 3.981 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3566 . 1 1 9 DPR HG2 H 32.679 -0.558 5.331 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3567 . 1 1 9 DPR HG3 H 31.045 -0.688 6.003 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3568 . 1 1 9 DPR N N 30.789 2.037 4.877 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 9 . 3569 . 1 1 9 DPR O O 29.278 1.099 7.414 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 9 . 3570 . 1 1 10 VAL C C 30.174 2.990 4.191 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 9 . 3571 . 1 1 10 VAL CA C 29.863 2.761 2.694 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 9 . 3572 . 1 1 10 VAL CB C 30.479 3.893 1.860 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 9 . 3573 . 1 1 10 VAL CG1 C 30.243 3.603 0.376 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3574 . 1 1 10 VAL CG2 C 29.832 5.240 2.226 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3575 . 1 1 10 VAL H H 27.887 3.531 2.519 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 9 . 3576 . 1 1 10 VAL HA H 30.308 1.835 2.363 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 9 . 3577 . 1 1 10 VAL HB H 31.539 3.938 2.051 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 9 . 3578 . 1 1 10 VAL HG11 H 29.193 3.412 0.209 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 9 . 3579 . 1 1 10 VAL HG12 H 30.817 2.739 0.082 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 9 . 3580 . 1 1 10 VAL HG13 H 30.551 4.457 -0.211 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 9 . 3581 . 1 1 10 VAL HG21 H 30.303 5.637 3.112 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 9 . 3582 . 1 1 10 VAL HG22 H 28.778 5.099 2.410 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 9 . 3583 . 1 1 10 VAL HG23 H 29.963 5.939 1.412 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 9 . 3584 . 1 1 10 VAL N N 28.420 2.711 2.436 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 9 . 3585 . 1 1 10 VAL O O 29.863 4.051 4.729 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 9 . 3586 . 1 1 11 GLN C C 27.824 1.577 2.061 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 9 . 3587 . 1 1 11 GLN CA C 26.329 1.638 1.784 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 9 . 3588 . 1 1 11 GLN CB C 25.606 0.681 2.730 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 9 . 3589 . 1 1 11 GLN CD C 23.390 -0.182 3.464 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 9 . 3590 . 1 1 11 GLN CG C 24.099 0.769 2.509 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 9 . 3591 . 1 1 11 GLN H H 26.553 0.509 -0.005 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 9 . 3592 . 1 1 11 GLN HA H 25.981 2.641 1.965 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 9 . 3593 . 1 1 11 GLN HB2 H 25.937 -0.330 2.540 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3594 . 1 1 11 GLN HB3 H 25.834 0.946 3.752 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3595 . 1 1 11 GLN HE21 H 22.388 1.261 4.385 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 9 . 3596 . 1 1 11 GLN HE22 H 22.094 -0.309 4.959 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 9 . 3597 . 1 1 11 GLN HG2 H 23.767 1.781 2.694 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3598 . 1 1 11 GLN HG3 H 23.868 0.494 1.492 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3599 . 1 1 11 GLN N N 26.075 1.280 0.384 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 9 . 3600 . 1 1 11 GLN NE2 N 22.556 0.296 4.341 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3601 . 1 1 11 GLN O O 28.439 0.525 1.909 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 9 . 3602 . 1 1 11 GLN OE1 O 23.618 -1.389 3.422 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3603 . 1 1 12 LYS C C 25.242 1.972 -0.397 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 9 . 3604 . 1 1 12 LYS CA C 25.142 1.460 -1.830 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 9 . 3605 . 1 1 12 LYS CB C 26.243 2.102 -2.677 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 9 . 3606 . 1 1 12 LYS CD C 27.308 2.072 -4.994 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 9 . 3607 . 1 1 12 LYS CE C 27.191 3.593 -5.181 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 9 . 3608 . 1 1 12 LYS CG C 26.185 1.514 -4.095 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 9 . 3609 . 1 1 12 LYS H H 23.569 2.684 -2.565 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 9 . 3610 . 1 1 12 LYS HA H 25.304 0.397 -1.817 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 9 . 3611 . 1 1 12 LYS HB2 H 26.071 3.163 -2.708 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3612 . 1 1 12 LYS HB3 H 27.205 1.901 -2.242 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3613 . 1 1 12 LYS HD2 H 28.263 1.846 -4.544 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3614 . 1 1 12 LYS HD3 H 27.254 1.593 -5.961 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3615 . 1 1 12 LYS HE2 H 27.304 4.100 -4.239 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3616 . 1 1 12 LYS HE3 H 27.974 3.923 -5.849 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 9 . 3617 . 1 1 12 LYS HG2 H 26.283 0.440 -4.036 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3618 . 1 1 12 LYS HG3 H 25.228 1.755 -4.536 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3619 . 1 1 12 LYS HZ1 H 25.561 3.139 -6.395 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 9 . 3620 . 1 1 12 LYS HZ2 H 25.957 4.791 -6.356 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 9 . 3621 . 1 1 12 LYS HZ3 H 25.170 4.071 -5.033 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 9 . 3622 . 1 1 12 LYS N N 23.854 1.751 -2.458 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 9 . 3623 . 1 1 12 LYS NZ N 25.869 3.923 -5.786 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 9 . 3624 . 1 1 12 LYS O O 24.616 2.965 -0.021 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 9 . 3625 . 1 1 13 PHE C C 23.082 0.773 -2.935 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 9 . 3626 . 1 1 13 PHE CA C 21.806 1.203 -3.650 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 9 . 3627 . 1 1 13 PHE CB C 21.147 2.469 -3.060 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 9 . 3628 . 1 1 13 PHE CD1 C 20.337 3.015 -5.486 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3629 . 1 1 13 PHE CD2 C 19.810 4.526 -3.658 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3630 . 1 1 13 PHE CE1 C 19.680 3.870 -6.376 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3631 . 1 1 13 PHE CE2 C 19.165 5.380 -4.561 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3632 . 1 1 13 PHE CG C 20.405 3.336 -4.103 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 9 . 3633 . 1 1 13 PHE CZ C 19.098 5.052 -5.915 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 9 . 3634 . 1 1 13 PHE H H 21.294 -0.845 -3.927 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 9 . 3635 . 1 1 13 PHE HA H 22.200 1.504 -4.605 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 9 . 3636 . 1 1 13 PHE HB2 H 20.432 2.156 -2.323 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3637 . 1 1 13 PHE HB3 H 21.899 3.075 -2.586 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3638 . 1 1 13 PHE HD1 H 20.768 2.111 -5.866 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3639 . 1 1 13 PHE HD2 H 19.851 4.788 -2.611 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3640 . 1 1 13 PHE HE1 H 19.627 3.619 -7.425 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3641 . 1 1 13 PHE HE2 H 18.718 6.299 -4.211 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3642 . 1 1 13 PHE HZ H 18.598 5.712 -6.607 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 9 . 3643 . 1 1 13 PHE N N 20.914 0.068 -3.974 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 9 . 3644 . 1 1 13 PHE O O 23.410 -0.413 -2.883 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 9 . 3645 . 1 1 14 ILE C C 19.628 0.179 -4.334 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 9 . 3646 . 1 1 14 ILE CA C 18.962 -1.170 -4.625 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 9 . 3647 . 1 1 14 ILE CB C 18.768 -1.398 -6.153 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 9 . 3648 . 1 1 14 ILE CD1 C 17.802 0.912 -6.687 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3649 . 1 1 14 ILE CG1 C 17.587 -0.601 -6.757 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3650 . 1 1 14 ILE CG2 C 18.552 -2.879 -6.434 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3651 . 1 1 14 ILE H H 16.894 -0.896 -4.139 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 9 . 3652 . 1 1 14 ILE HA H 19.665 -1.924 -4.296 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 9 . 3653 . 1 1 14 ILE HB H 19.679 -1.094 -6.652 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 9 . 3654 . 1 1 14 ILE HD11 H 17.308 1.310 -5.818 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 9 . 3655 . 1 1 14 ILE HD12 H 17.381 1.367 -7.572 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 9 . 3656 . 1 1 14 ILE HD13 H 18.855 1.130 -6.649 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 9 . 3657 . 1 1 14 ILE HG12 H 17.471 -0.885 -7.792 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 9 . 3658 . 1 1 14 ILE HG13 H 16.682 -0.853 -6.226 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 9 . 3659 . 1 1 14 ILE HG21 H 19.402 -3.438 -6.074 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 9 . 3660 . 1 1 14 ILE HG22 H 18.444 -3.032 -7.498 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 9 . 3661 . 1 1 14 ILE HG23 H 17.662 -3.209 -5.932 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 9 . 3662 . 1 1 14 ILE N N 17.703 -1.396 -3.880 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 9 . 3663 . 1 1 14 ILE O O 19.011 1.233 -4.380 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 9 . 3664 . 1 1 15 ARG C C 17.632 -2.281 -2.860 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 9 . 3665 . 1 1 15 ARG CA C 16.268 -2.443 -2.186 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 9 . 3666 . 1 1 15 ARG CB C 15.731 -1.073 -1.764 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 9 . 3667 . 1 1 15 ARG CD C 16.493 -1.161 0.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 9 . 3668 . 1 1 15 ARG CG C 16.554 -0.393 -0.645 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 9 . 3669 . 1 1 15 ARG CZ C 14.811 -1.938 2.255 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 9 . 3670 . 1 1 15 ARG H H 17.181 -3.575 -0.646 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 9 . 3671 . 1 1 15 ARG HA H 15.585 -2.847 -2.914 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 9 . 3672 . 1 1 15 ARG HB2 H 15.746 -0.437 -2.626 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3673 . 1 1 15 ARG HB3 H 14.710 -1.185 -1.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3674 . 1 1 15 ARG HD2 H 16.952 -2.121 0.604 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3675 . 1 1 15 ARG HD3 H 17.025 -0.592 1.436 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3676 . 1 1 15 ARG HE H 14.391 -0.966 0.556 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 9 . 3677 . 1 1 15 ARG HG2 H 17.585 -0.327 -0.962 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3678 . 1 1 15 ARG HG3 H 16.171 0.604 -0.494 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3679 . 1 1 15 ARG HH11 H 16.721 -2.297 2.746 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 9 . 3680 . 1 1 15 ARG HH12 H 15.537 -2.875 3.870 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 9 . 3681 . 1 1 15 ARG HH21 H 12.836 -1.715 2.031 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 9 . 3682 . 1 1 15 ARG HH22 H 13.338 -2.546 3.466 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 9 . 3683 . 1 1 15 ARG N N 16.319 -3.369 -1.062 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 9 . 3684 . 1 1 15 ARG NE N 15.111 -1.315 1.119 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 9 . 3685 . 1 1 15 ARG NH1 N 15.764 -2.406 3.016 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 9 . 3686 . 1 1 15 ARG NH2 N 13.565 -2.077 2.612 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 9 . 3687 . 1 1 15 ARG O O 18.597 -2.949 -2.485 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 9 . 3688 . 1 1 16 VAL C C 15.211 -3.922 -0.582 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 9 . 3689 . 1 1 16 VAL CA C 15.367 -4.843 0.626 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 9 . 3690 . 1 1 16 VAL CB C 16.369 -5.965 0.342 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 9 . 3691 . 1 1 16 VAL CG1 C 16.540 -6.815 1.606 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3692 . 1 1 16 VAL CG2 C 15.845 -6.850 -0.797 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3693 . 1 1 16 VAL H H 13.507 -5.746 0.252 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 9 . 3694 . 1 1 16 VAL HA H 15.734 -4.253 1.457 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 9 . 3695 . 1 1 16 VAL HB H 17.322 -5.538 0.063 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 9 . 3696 . 1 1 16 VAL HG11 H 17.368 -7.496 1.473 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 9 . 3697 . 1 1 16 VAL HG12 H 15.635 -7.379 1.785 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 9 . 3698 . 1 1 16 VAL HG13 H 16.735 -6.171 2.450 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 9 . 3699 . 1 1 16 VAL HG21 H 14.777 -6.980 -0.699 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 9 . 3700 . 1 1 16 VAL HG22 H 16.324 -7.817 -0.759 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 9 . 3701 . 1 1 16 VAL HG23 H 16.064 -6.378 -1.735 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 9 . 3702 . 1 1 16 VAL N N 14.071 -5.422 0.974 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 9 . 3703 . 1 1 16 VAL O O 14.096 -3.688 -1.048 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 9 . 3704 . 1 1 17 . C11 C 10.798 -3.948 3.590 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 9 . 3705 . 1 1 17 . C12 C 11.864 -4.684 4.386 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 9 . 3706 . 1 1 17 . C13 C 11.945 -6.130 3.921 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 9 . 3707 . 1 1 17 . C14 C 12.284 -6.184 2.440 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 9 . 3708 . 1 1 17 . C15 C 13.652 -5.537 2.208 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 9 . 3709 . 1 1 17 . C7 C 11.488 -5.531 0.158 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 9 . 3710 . 1 1 17 . C8 C 11.197 -5.461 1.659 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 9 . 3711 . 1 1 17 . C9 C 11.126 -4.010 2.106 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 9 . 3712 . 1 1 17 . H111 H 10.761 -2.906 3.903 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 9 . 3713 . 1 1 17 . H112 H 9.828 -4.414 3.766 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 9 . 3714 . 1 1 17 . H12 H 11.597 -4.654 5.442 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 9 . 3715 . 1 1 17 . H14 H 12.327 -7.226 2.124 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 9 . 3716 . 1 1 17 . H8 H 10.235 -5.937 1.853 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 9 . 3717 . 1 1 17 . H9 H 12.088 -3.530 1.918 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 9 . 3718 . 1 1 17 . HAG H 12.830 -4.198 4.245 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 9 . 3719 . 1 1 17 . HAI H 10.349 -3.492 1.545 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 9 . 3720 . 1 1 17 . HAK H 12.715 -6.653 4.488 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 9 . 3721 . 1 1 17 . HAL H 10.982 -6.610 4.094 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 9 . 3722 . 1 1 17 . O1 O 11.670 -4.499 -0.488 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 9 . 3723 . 1 1 17 . OAB O 14.330 -5.164 3.164 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 9 . 3724 . 1 1 18 GLY C C 12.809 -8.026 -2.053 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 9 . 3725 . 1 1 18 GLY CA C 11.788 -6.914 -1.830 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 9 . 3726 . 1 1 18 GLY H H 11.368 -7.510 0.166 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 9 . 3727 . 1 1 18 GLY HA2 H 10.865 -7.179 -2.324 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 9 . 3728 . 1 1 18 GLY HA3 H 12.171 -5.998 -2.264 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 9 . 3729 . 1 1 18 GLY N N 11.525 -6.722 -0.395 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 9 . 3730 . 1 1 18 GLY O O 13.128 -8.781 -1.135 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 9 . 3731 . 1 1 19 VAL C C 15.508 -8.486 -4.345 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 9 . 3732 . 1 1 19 VAL CA C 14.323 -9.133 -3.630 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 9 . 3733 . 1 1 19 VAL CB C 13.677 -10.211 -4.517 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 9 . 3734 . 1 1 19 VAL CG1 C 13.106 -9.584 -5.809 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3735 . 1 1 19 VAL CG2 C 14.731 -11.268 -4.873 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3736 . 1 1 19 VAL H H 13.033 -7.479 -3.968 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 9 . 3737 . 1 1 19 VAL HA H 14.684 -9.603 -2.725 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 9 . 3738 . 1 1 19 VAL HB H 12.875 -10.681 -3.966 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 9 . 3739 . 1 1 19 VAL HG11 H 12.801 -8.565 -5.618 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 9 . 3740 . 1 1 19 VAL HG12 H 12.247 -10.155 -6.134 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 9 . 3741 . 1 1 19 VAL HG13 H 13.853 -9.595 -6.591 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 9 . 3742 . 1 1 19 VAL HG21 H 15.423 -10.859 -5.593 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 9 . 3743 . 1 1 19 VAL HG22 H 14.242 -12.134 -5.294 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 9 . 3744 . 1 1 19 VAL HG23 H 15.267 -11.556 -3.981 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 9 . 3745 . 1 1 19 VAL N N 13.324 -8.115 -3.281 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 9 . 3746 . 1 1 19 VAL O O 15.605 -8.504 -5.570 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 9 . 3747 . 1 1 20 THR C C 18.549 -6.846 -2.968 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 9 . 3748 . 1 1 20 THR CA C 17.591 -7.246 -4.096 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 9 . 3749 . 1 1 20 THR CB C 17.172 -6.036 -4.928 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 9 . 3750 . 1 1 20 THR CG2 C 16.324 -5.080 -4.087 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3751 . 1 1 20 THR H H 16.273 -7.928 -2.586 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 9 . 3752 . 1 1 20 THR HA H 18.104 -7.944 -4.743 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 9 . 3753 . 1 1 20 THR HB H 16.585 -6.375 -5.768 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 9 . 3754 . 1 1 20 THR HG1 H 18.572 -5.790 -6.249 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3755 . 1 1 20 THR HG21 H 15.423 -5.583 -3.773 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 9 . 3756 . 1 1 20 THR HG22 H 16.059 -4.223 -4.682 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 9 . 3757 . 1 1 20 THR HG23 H 16.885 -4.762 -3.218 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 9 . 3758 . 1 1 20 THR N N 16.409 -7.910 -3.556 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 9 . 3759 . 1 1 20 THR O O 18.289 -7.141 -1.804 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 9 . 3760 . 1 1 20 THR OG1 O 18.331 -5.383 -5.414 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3761 . 1 1 21 ILE C C 21.148 -4.381 -2.399 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 9 . 3762 . 1 1 21 ILE CA C 20.683 -5.842 -2.302 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 9 . 3763 . 1 1 21 ILE CB C 21.897 -6.758 -2.446 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 9 . 3764 . 1 1 21 ILE CD1 C 23.737 -7.500 -3.967 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 9 . 3765 . 1 1 21 ILE CG1 C 22.500 -6.606 -3.846 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 9 . 3766 . 1 1 21 ILE CG2 C 21.476 -8.212 -2.228 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3767 . 1 1 21 ILE H H 19.873 -6.037 -4.253 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 9 . 3768 . 1 1 21 ILE HA H 20.268 -5.995 -1.315 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 9 . 3769 . 1 1 21 ILE HB H 22.630 -6.485 -1.711 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 9 . 3770 . 1 1 21 ILE HD11 H 24.251 -7.280 -4.891 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 9 . 3771 . 1 1 21 ILE HD12 H 23.434 -8.536 -3.960 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 9 . 3772 . 1 1 21 ILE HD13 H 24.398 -7.313 -3.133 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 9 . 3773 . 1 1 21 ILE HG12 H 21.769 -6.899 -4.586 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 9 . 3774 . 1 1 21 ILE HG13 H 22.786 -5.578 -4.010 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 9 . 3775 . 1 1 21 ILE HG21 H 20.846 -8.277 -1.354 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 9 . 3776 . 1 1 21 ILE HG22 H 22.354 -8.824 -2.086 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 9 . 3777 . 1 1 21 ILE HG23 H 20.930 -8.563 -3.092 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 9 . 3778 . 1 1 21 ILE N N 19.685 -6.217 -3.313 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 9 . 3779 . 1 1 21 ILE O O 20.914 -3.669 -3.389 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 9 . 3780 . 1 1 22 ARG C C 23.611 -2.478 -0.329 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 9 . 3781 . 1 1 22 ARG CA C 22.391 -2.604 -1.265 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 9 . 3782 . 1 1 22 ARG CB C 21.284 -1.560 -0.987 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 9 . 3783 . 1 1 22 ARG CD C 20.914 -2.309 1.468 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 9 . 3784 . 1 1 22 ARG CG C 20.276 -1.976 0.118 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 9 . 3785 . 1 1 22 ARG CZ C 22.353 -4.029 2.397 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 9 . 3786 . 1 1 22 ARG H H 22.006 -4.575 -0.602 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 9 . 3787 . 1 1 22 ARG HA H 22.769 -2.401 -2.254 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 9 . 3788 . 1 1 22 ARG HB2 H 21.752 -0.635 -0.688 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3789 . 1 1 22 ARG HB3 H 20.735 -1.384 -1.904 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3790 . 1 1 22 ARG HD2 H 21.538 -1.488 1.784 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3791 . 1 1 22 ARG HD3 H 20.135 -2.464 2.200 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3792 . 1 1 22 ARG HE H 21.762 -3.964 0.488 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 9 . 3793 . 1 1 22 ARG HG2 H 19.572 -1.177 0.265 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3794 . 1 1 22 ARG HG3 H 19.734 -2.845 -0.229 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3795 . 1 1 22 ARG HH11 H 21.805 -2.565 3.648 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 9 . 3796 . 1 1 22 ARG HH12 H 22.796 -3.807 4.337 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 9 . 3797 . 1 1 22 ARG HH21 H 23.048 -5.608 1.382 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 9 . 3798 . 1 1 22 ARG HH22 H 23.500 -5.533 3.053 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 9 . 3799 . 1 1 22 ARG N N 21.843 -3.954 -1.342 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 9 . 3800 . 1 1 22 ARG NE N 21.712 -3.515 1.351 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 9 . 3801 . 1 1 22 ARG NH1 N 22.315 -3.420 3.551 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 9 . 3802 . 1 1 22 ARG NH2 N 23.019 -5.143 2.267 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 9 . 3803 . 1 1 22 ARG O O 23.500 -2.262 0.870 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 9 . 3804 . 1 1 23 GLU C C 27.141 -1.761 -1.020 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 9 . 3805 . 1 1 23 GLU CA C 26.083 -2.507 -0.202 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 9 . 3806 . 1 1 23 GLU CB C 26.621 -3.917 0.095 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 9 . 3807 . 1 1 23 GLU CD C 25.479 -4.141 2.355 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 9 . 3808 . 1 1 23 GLU CG C 25.648 -4.741 0.956 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 9 . 3809 . 1 1 23 GLU H H 24.816 -2.738 -1.907 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 9 . 3810 . 1 1 23 GLU HA H 25.933 -1.980 0.721 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 9 . 3811 . 1 1 23 GLU HB2 H 26.786 -4.434 -0.838 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3812 . 1 1 23 GLU HB3 H 27.563 -3.828 0.617 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3813 . 1 1 23 GLU HG2 H 24.686 -4.772 0.469 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3814 . 1 1 23 GLU HG3 H 26.027 -5.750 1.047 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3815 . 1 1 23 GLU N N 24.800 -2.597 -0.934 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 9 . 3816 . 1 1 23 GLU O O 26.856 -1.239 -2.090 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 9 . 3817 . 1 1 23 GLU OE1 O 25.019 -3.023 2.464 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 9 . 3818 . 1 1 23 GLU OE2 O 25.820 -4.825 3.306 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3819 . 1 1 24 LYS C C 29.157 0.435 -1.317 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 9 . 3820 . 1 1 24 LYS CA C 29.478 -1.040 -1.166 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 9 . 3821 . 1 1 24 LYS CB C 29.735 -1.653 -2.554 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 9 . 3822 . 1 1 24 LYS CD C 31.291 -3.438 -1.671 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 9 . 3823 . 1 1 24 LYS CE C 31.564 -4.934 -1.687 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 9 . 3824 . 1 1 24 LYS CG C 30.020 -3.159 -2.475 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 9 . 3825 . 1 1 24 LYS H H 28.534 -2.146 0.376 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 9 . 3826 . 1 1 24 LYS HA H 30.364 -1.124 -0.566 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 9 . 3827 . 1 1 24 LYS HB2 H 28.879 -1.491 -3.186 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 9 . 3828 . 1 1 24 LYS HB3 H 30.593 -1.167 -2.993 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 9 . 3829 . 1 1 24 LYS HD2 H 32.125 -2.911 -2.108 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 9 . 3830 . 1 1 24 LYS HD3 H 31.160 -3.127 -0.650 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 9 . 3831 . 1 1 24 LYS HE2 H 30.730 -5.458 -1.245 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 9 . 3832 . 1 1 24 LYS HE3 H 31.700 -5.262 -2.707 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 9 . 3833 . 1 1 24 LYS HG2 H 29.186 -3.653 -2.002 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 9 . 3834 . 1 1 24 LYS HG3 H 30.141 -3.548 -3.476 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 9 . 3835 . 1 1 24 LYS HZ1 H 32.543 -5.589 0.025 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 9 . 3836 . 1 1 24 LYS HZ2 H 33.328 -4.319 -0.786 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 9 . 3837 . 1 1 24 LYS HZ3 H 33.386 -5.896 -1.415 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 9 . 3838 . 1 1 24 LYS N N 28.369 -1.718 -0.491 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 9 . 3839 . 1 1 24 LYS NZ N 32.798 -5.207 -0.907 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 9 . 3840 . 1 1 24 LYS O O 29.620 1.087 -2.252 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 9 . 3841 . 1 1 25 NH2 HN1 H 28.217 1.957 -0.470 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 9 . 3842 . 1 1 25 NH2 HN2 H 28.044 0.469 0.314 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 9 . 3843 . 1 1 25 NH2 N N 28.408 1.002 -0.422 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 1 . 10 . 3844 . 1 1 1 ACE C C 11.261 2.116 -0.908 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c25673_2n4n 1 . 10 . 3845 . 1 1 1 ACE CH3 C 10.460 1.610 -2.104 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c25673_2n4n 1 . 10 . 3846 . 1 1 1 ACE H1 H 10.352 0.539 -2.037 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c25673_2n4n 1 . 10 . 3847 . 1 1 1 ACE H2 H 10.978 1.864 -3.017 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c25673_2n4n 1 . 10 . 3848 . 1 1 1 ACE H3 H 9.484 2.071 -2.105 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c25673_2n4n 1 . 10 . 3849 . 1 1 1 ACE O O 10.910 3.127 -0.297 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c25673_2n4n 1 . 10 . 3850 . 1 1 2 GLU C C 14.661 1.603 0.172 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . c25673_2n4n 1 . 10 . 3851 . 1 1 2 GLU CA C 13.194 1.787 0.548 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . c25673_2n4n 1 . 10 . 3852 . 1 1 2 GLU CB C 12.853 0.925 1.770 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . c25673_2n4n 1 . 10 . 3853 . 1 1 2 GLU CD C 13.376 0.482 4.176 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . c25673_2n4n 1 . 10 . 3854 . 1 1 2 GLU CG C 13.725 1.336 2.961 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . c25673_2n4n 1 . 10 . 3855 . 1 1 2 GLU H H 12.567 0.612 -1.105 . . . 1.0 . . . . . . . . . . . . A . 1 GLU H . . . . . . . . . c25673_2n4n 1 . 10 . 3856 . 1 1 2 GLU HA H 13.026 2.826 0.795 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HA . . . . . . . . . c25673_2n4n 1 . 10 . 3857 . 1 1 2 GLU HB2 H 11.812 1.060 2.023 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3858 . 1 1 2 GLU HB3 H 13.034 -0.114 1.537 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3859 . 1 1 2 GLU HG2 H 14.766 1.196 2.717 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 3860 . 1 1 2 GLU HG3 H 13.547 2.375 3.193 . . . 1.0 . . . . . . . . . . . . A . 1 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 3861 . 1 1 2 GLU N N 12.339 1.408 -0.579 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . c25673_2n4n 1 . 10 . 3862 . 1 1 2 GLU O O 15.034 0.605 -0.452 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . c25673_2n4n 1 . 10 . 3863 . 1 1 2 GLU OE1 O 12.232 0.525 4.596 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 10 . 3864 . 1 1 2 GLU OE2 O 14.258 -0.203 4.667 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3865 . 1 1 3 ARG C C 17.732 2.700 1.517 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c25673_2n4n 1 . 10 . 3866 . 1 1 3 ARG CA C 16.925 2.538 0.226 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c25673_2n4n 1 . 10 . 3867 . 1 1 3 ARG CB C 17.393 3.661 -0.735 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c25673_2n4n 1 . 10 . 3868 . 1 1 3 ARG CD C 15.209 4.117 -2.024 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c25673_2n4n 1 . 10 . 3869 . 1 1 3 ARG CG C 16.684 3.681 -2.115 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c25673_2n4n 1 . 10 . 3870 . 1 1 3 ARG CZ C 14.470 3.101 -4.117 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c25673_2n4n 1 . 10 . 3871 . 1 1 3 ARG H H 15.135 3.366 1.016 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c25673_2n4n 1 . 10 . 3872 . 1 1 3 ARG HA H 17.158 1.575 -0.203 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c25673_2n4n 1 . 10 . 3873 . 1 1 3 ARG HB2 H 17.222 4.611 -0.256 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3874 . 1 1 3 ARG HB3 H 18.456 3.547 -0.895 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3875 . 1 1 3 ARG HD2 H 14.652 3.422 -1.448 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3876 . 1 1 3 ARG HD3 H 15.154 5.091 -1.560 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 3877 . 1 1 3 ARG HE H 14.339 5.056 -3.712 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c25673_2n4n 1 . 10 . 3878 . 1 1 3 ARG HG2 H 17.208 4.360 -2.768 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 3879 . 1 1 3 ARG HG3 H 16.727 2.690 -2.535 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 3880 . 1 1 3 ARG HH11 H 15.144 1.833 -2.724 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 10 . 3881 . 1 1 3 ARG HH12 H 14.674 1.113 -4.228 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 10 . 3882 . 1 1 3 ARG HH21 H 13.726 4.113 -5.676 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 10 . 3883 . 1 1 3 ARG HH22 H 13.877 2.402 -5.897 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 10 . 3884 . 1 1 3 ARG N N 15.493 2.590 0.537 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c25673_2n4n 1 . 10 . 3885 . 1 1 3 ARG NE N 14.618 4.186 -3.358 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c25673_2n4n 1 . 10 . 3886 . 1 1 3 ARG NH1 N 14.788 1.924 -3.654 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 10 . 3887 . 1 1 3 ARG NH2 N 13.986 3.214 -5.323 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 10 . 3888 . 1 1 3 ARG O O 17.214 3.217 2.507 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c25673_2n4n 1 . 10 . 3889 . 1 1 4 PHE C C 21.082 3.276 2.409 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c25673_2n4n 1 . 10 . 3890 . 1 1 4 PHE CA C 19.861 2.397 2.711 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c25673_2n4n 1 . 10 . 3891 . 1 1 4 PHE CB C 20.363 1.025 3.162 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c25673_2n4n 1 . 10 . 3892 . 1 1 4 PHE CD1 C 21.336 2.229 5.251 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 10 . 3893 . 1 1 4 PHE CD2 C 21.668 -0.160 4.955 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3894 . 1 1 4 PHE CE1 C 22.050 2.170 6.455 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 10 . 3895 . 1 1 4 PHE CE2 C 22.380 -0.208 6.159 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3896 . 1 1 4 PHE CG C 21.142 1.053 4.484 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c25673_2n4n 1 . 10 . 3897 . 1 1 4 PHE CZ C 22.571 0.956 6.906 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c25673_2n4n 1 . 10 . 3898 . 1 1 4 PHE H H 19.379 1.865 0.691 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c25673_2n4n 1 . 10 . 3899 . 1 1 4 PHE HA H 19.286 2.843 3.510 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c25673_2n4n 1 . 10 . 3900 . 1 1 4 PHE HB2 H 19.525 0.354 3.266 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3901 . 1 1 4 PHE HB3 H 21.016 0.655 2.399 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3902 . 1 1 4 PHE HD1 H 20.942 3.171 4.933 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 10 . 3903 . 1 1 4 PHE HD2 H 21.528 -1.063 4.380 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3904 . 1 1 4 PHE HE1 H 22.199 3.069 7.034 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 10 . 3905 . 1 1 4 PHE HE2 H 22.779 -1.147 6.512 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3906 . 1 1 4 PHE HZ H 23.120 0.917 7.836 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c25673_2n4n 1 . 10 . 3907 . 1 1 4 PHE N N 19.010 2.267 1.510 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c25673_2n4n 1 . 10 . 3908 . 1 1 4 PHE O O 22.028 2.863 1.743 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c25673_2n4n 1 . 10 . 3909 . 1 1 5 TYR C C 22.499 5.834 1.434 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c25673_2n4n 1 . 10 . 3910 . 1 1 5 TYR CA C 22.097 5.471 2.872 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c25673_2n4n 1 . 10 . 3911 . 1 1 5 TYR CB C 23.335 5.066 3.694 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c25673_2n4n 1 . 10 . 3912 . 1 1 5 TYR CD1 C 23.955 7.440 4.338 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c25673_2n4n 1 . 10 . 3913 . 1 1 5 TYR CD2 C 25.625 6.089 3.213 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3914 . 1 1 5 TYR CE1 C 24.860 8.507 4.396 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c25673_2n4n 1 . 10 . 3915 . 1 1 5 TYR CE2 C 26.527 7.159 3.273 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3916 . 1 1 5 TYR CG C 24.333 6.223 3.744 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c25673_2n4n 1 . 10 . 3917 . 1 1 5 TYR CZ C 26.144 8.366 3.864 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c25673_2n4n 1 . 10 . 3918 . 1 1 5 TYR H H 20.255 4.683 3.509 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c25673_2n4n 1 . 10 . 3919 . 1 1 5 TYR HA H 21.699 6.345 3.301 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c25673_2n4n 1 . 10 . 3920 . 1 1 5 TYR HB2 H 23.030 4.813 4.700 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3921 . 1 1 5 TYR HB3 H 23.805 4.209 3.236 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3922 . 1 1 5 TYR HD1 H 22.967 7.556 4.756 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c25673_2n4n 1 . 10 . 3923 . 1 1 5 TYR HD2 H 25.925 5.166 2.756 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3924 . 1 1 5 TYR HE1 H 24.566 9.439 4.854 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c25673_2n4n 1 . 10 . 3925 . 1 1 5 TYR HE2 H 27.520 7.050 2.861 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3926 . 1 1 5 TYR HH H 27.608 9.365 3.154 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c25673_2n4n 1 . 10 . 3927 . 1 1 5 TYR N N 21.040 4.466 2.965 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c25673_2n4n 1 . 10 . 3928 . 1 1 5 TYR O O 21.655 6.216 0.623 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c25673_2n4n 1 . 10 . 3929 . 1 1 5 TYR OH O 27.035 9.419 3.922 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c25673_2n4n 1 . 10 . 3930 . 1 1 6 GLU C C 25.628 5.407 -0.488 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . c25673_2n4n 1 . 10 . 3931 . 1 1 6 GLU CA C 24.341 6.165 -0.161 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . c25673_2n4n 1 . 10 . 3932 . 1 1 6 GLU CB C 24.663 7.667 -0.189 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . c25673_2n4n 1 . 10 . 3933 . 1 1 6 GLU CD C 23.757 9.989 0.016 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . c25673_2n4n 1 . 10 . 3934 . 1 1 6 GLU CG C 23.408 8.506 0.081 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . c25673_2n4n 1 . 10 . 3935 . 1 1 6 GLU H H 24.426 5.490 1.838 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . c25673_2n4n 1 . 10 . 3936 . 1 1 6 GLU HA H 23.611 5.965 -0.918 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . c25673_2n4n 1 . 10 . 3937 . 1 1 6 GLU HB2 H 25.404 7.886 0.566 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3938 . 1 1 6 GLU HB3 H 25.059 7.927 -1.160 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3939 . 1 1 6 GLU HG2 H 22.655 8.278 -0.657 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 3940 . 1 1 6 GLU HG3 H 23.029 8.282 1.064 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 3941 . 1 1 6 GLU N N 23.807 5.775 1.149 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . c25673_2n4n 1 . 10 . 3942 . 1 1 6 GLU O O 26.209 4.736 0.368 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . c25673_2n4n 1 . 10 . 3943 . 1 1 6 GLU OE1 O 24.602 10.413 0.787 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 10 . 3944 . 1 1 6 GLU OE2 O 23.173 10.678 -0.804 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3945 . 1 1 7 LYS C C 28.304 6.008 -2.637 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c25673_2n4n 1 . 10 . 3946 . 1 1 7 LYS CA C 27.322 4.924 -2.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c25673_2n4n 1 . 10 . 3947 . 1 1 7 LYS CB C 27.036 3.973 -3.366 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c25673_2n4n 1 . 10 . 3948 . 1 1 7 LYS CD C 26.127 3.770 -5.684 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c25673_2n4n 1 . 10 . 3949 . 1 1 7 LYS CE C 25.523 4.534 -6.863 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c25673_2n4n 1 . 10 . 3950 . 1 1 7 LYS CG C 26.417 4.742 -4.537 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c25673_2n4n 1 . 10 . 3951 . 1 1 7 LYS H H 25.581 6.123 -2.358 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c25673_2n4n 1 . 10 . 3952 . 1 1 7 LYS HA H 27.765 4.361 -1.387 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c25673_2n4n 1 . 10 . 3953 . 1 1 7 LYS HB2 H 27.960 3.515 -3.688 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3954 . 1 1 7 LYS HB3 H 26.352 3.206 -3.043 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3955 . 1 1 7 LYS HD2 H 27.046 3.295 -5.995 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3956 . 1 1 7 LYS HD3 H 25.428 3.018 -5.350 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 3957 . 1 1 7 LYS HE2 H 26.211 5.300 -7.188 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 10 . 3958 . 1 1 7 LYS HE3 H 25.335 3.850 -7.678 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 10 . 3959 . 1 1 7 LYS HG2 H 25.497 5.208 -4.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 3960 . 1 1 7 LYS HG3 H 27.106 5.499 -4.880 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 3961 . 1 1 7 LYS HZ1 H 24.407 6.167 -6.214 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 10 . 3962 . 1 1 7 LYS HZ2 H 23.874 4.674 -5.601 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 10 . 3963 . 1 1 7 LYS HZ3 H 23.549 5.098 -7.213 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 10 . 3964 . 1 1 7 LYS N N 26.082 5.554 -1.737 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c25673_2n4n 1 . 10 . 3965 . 1 1 7 LYS NZ N 24.241 5.166 -6.441 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c25673_2n4n 1 . 10 . 3966 . 1 1 7 LYS O O 27.910 6.996 -3.256 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c25673_2n4n 1 . 10 . 3967 . 1 1 8 . CAA C 32.388 5.376 -3.367 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAA . . . . . . . . . c25673_2n4n 1 . 10 . 3968 . 1 1 8 . CAB C 32.880 7.676 -2.578 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAB . . . . . . . . . c25673_2n4n 1 . 10 . 3969 . 1 1 8 . CAE C 30.532 6.885 -2.713 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAE . . . . . . . . . c25673_2n4n 1 . 10 . 3970 . 1 1 8 . CAF C 31.965 6.465 -2.379 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 CAF . . . . . . . . . c25673_2n4n 1 . 10 . 3971 . 1 1 8 . HAA H 32.089 5.664 -4.375 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAA . . . . . . . . . c25673_2n4n 1 . 10 . 3972 . 1 1 8 . HAB H 31.905 4.436 -3.100 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAB . . . . . . . . . c25673_2n4n 1 . 10 . 3973 . 1 1 8 . HAC H 33.470 5.252 -3.331 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAC . . . . . . . . . c25673_2n4n 1 . 10 . 3974 . 1 1 8 . HAD H 32.398 8.391 -3.246 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAD . . . . . . . . . c25673_2n4n 1 . 10 . 3975 . 1 1 8 . HAE H 33.824 7.351 -3.013 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAE . . . . . . . . . c25673_2n4n 1 . 10 . 3976 . 1 1 8 . HAF H 33.069 8.148 -1.614 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAF . . . . . . . . . c25673_2n4n 1 . 10 . 3977 . 1 1 8 . HAG H 30.308 7.810 -2.184 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAG . . . . . . . . . c25673_2n4n 1 . 10 . 3978 . 1 1 8 . HAH H 30.450 7.058 -3.786 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAH . . . . . . . . . c25673_2n4n 1 . 10 . 3979 . 1 1 8 . HAI H 29.858 5.049 -1.805 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAI . . . . . . . . . c25673_2n4n 1 . 10 . 3980 . 1 1 8 . HAL H 32.942 5.480 -0.765 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 HAL . . . . . . . . . c25673_2n4n 1 . 10 . 3981 . 1 1 8 . NAC N 29.561 5.854 -2.319 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAC . . . . . . . . . c25673_2n4n 1 . 10 . 3982 . 1 1 8 . NAD N 32.101 5.965 -1.001 . . . 1.0 . . . . . . . . . . . . A . 7 4G6 NAD . . . . . . . . . c25673_2n4n 1 . 10 . 3983 . 1 1 9 DPR C C 31.198 6.122 -0.050 . . . 1.0 . . . . . . . . . . . . A . 8 DPR C . . . . . . . . . c25673_2n4n 1 . 10 . 3984 . 1 1 9 DPR CA C 31.546 5.538 1.320 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CA . . . . . . . . . c25673_2n4n 1 . 10 . 3985 . 1 1 9 DPR CB C 31.040 6.439 2.454 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CB . . . . . . . . . c25673_2n4n 1 . 10 . 3986 . 1 1 9 DPR CD C 30.445 4.111 2.984 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CD . . . . . . . . . c25673_2n4n 1 . 10 . 3987 . 1 1 9 DPR CG C 30.709 5.505 3.592 . . . 1.0 . . . . . . . . . . . . A . 8 DPR CG . . . . . . . . . c25673_2n4n 1 . 10 . 3988 . 1 1 9 DPR HA H 32.613 5.414 1.409 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HA . . . . . . . . . c25673_2n4n 1 . 10 . 3989 . 1 1 9 DPR HB2 H 31.815 7.141 2.746 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 3990 . 1 1 9 DPR HB3 H 30.154 6.978 2.142 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 3991 . 1 1 9 DPR HD2 H 31.042 3.356 3.483 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 3992 . 1 1 9 DPR HD3 H 29.395 3.855 3.037 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 3993 . 1 1 9 DPR HG2 H 31.544 5.458 4.283 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 3994 . 1 1 9 DPR HG3 H 29.826 5.849 4.113 . . . 1.0 . . . . . . . . . . . . A . 8 DPR HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 3995 . 1 1 9 DPR N N 30.858 4.244 1.578 . . . 1.0 . . . . . . . . . . . . A . 8 DPR N . . . . . . . . . c25673_2n4n 1 . 10 . 3996 . 1 1 9 DPR O O 30.132 6.717 -0.206 . . . 1.0 . . . . . . . . . . . . A . 8 DPR O . . . . . . . . . c25673_2n4n 1 . 10 . 3997 . 1 1 10 VAL C C 30.661 3.353 0.643 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . c25673_2n4n 1 . 10 . 3998 . 1 1 10 VAL CA C 29.951 2.059 1.049 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . c25673_2n4n 1 . 10 . 3999 . 1 1 10 VAL CB C 30.043 1.014 -0.078 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . c25673_2n4n 1 . 10 . 4000 . 1 1 10 VAL CG1 C 29.322 1.521 -1.346 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4001 . 1 1 10 VAL CG2 C 31.519 0.713 -0.396 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4002 . 1 1 10 VAL H H 28.064 3.024 0.890 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . c25673_2n4n 1 . 10 . 4003 . 1 1 10 VAL HA H 30.441 1.652 1.926 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . c25673_2n4n 1 . 10 . 4004 . 1 1 10 VAL HB H 29.562 0.104 0.256 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . c25673_2n4n 1 . 10 . 4005 . 1 1 10 VAL HG11 H 28.947 0.677 -1.907 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 10 . 4006 . 1 1 10 VAL HG12 H 30.009 2.078 -1.966 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 10 . 4007 . 1 1 10 VAL HG13 H 28.495 2.158 -1.067 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 10 . 4008 . 1 1 10 VAL HG21 H 32.099 0.728 0.517 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 10 . 4009 . 1 1 10 VAL HG22 H 31.906 1.456 -1.078 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 10 . 4010 . 1 1 10 VAL HG23 H 31.595 -0.263 -0.852 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 10 . 4011 . 1 1 10 VAL N N 28.546 2.310 1.361 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . c25673_2n4n 1 . 10 . 4012 . 1 1 10 VAL O O 31.037 3.540 -0.513 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . c25673_2n4n 1 . 10 . 4013 . 1 1 11 GLN C C 27.903 1.574 2.263 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25673_2n4n 1 . 10 . 4014 . 1 1 11 GLN CA C 26.440 1.906 2.492 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25673_2n4n 1 . 10 . 4015 . 1 1 11 GLN CB C 26.030 1.487 3.911 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25673_2n4n 1 . 10 . 4016 . 1 1 11 GLN CD C 26.575 3.748 4.847 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25673_2n4n 1 . 10 . 4017 . 1 1 11 GLN CG C 26.841 2.253 4.957 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25673_2n4n 1 . 10 . 4018 . 1 1 11 GLN H H 25.740 0.174 1.514 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25673_2n4n 1 . 10 . 4019 . 1 1 11 GLN HA H 26.283 2.961 2.365 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25673_2n4n 1 . 10 . 4020 . 1 1 11 GLN HB2 H 24.980 1.695 4.053 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4021 . 1 1 11 GLN HB3 H 26.201 0.428 4.033 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4022 . 1 1 11 GLN HE21 H 28.476 4.215 4.522 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25673_2n4n 1 . 10 . 4023 . 1 1 11 GLN HE22 H 27.402 5.527 4.548 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25673_2n4n 1 . 10 . 4024 . 1 1 11 GLN HG2 H 26.559 1.913 5.942 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4025 . 1 1 11 GLN HG3 H 27.892 2.064 4.804 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 4026 . 1 1 11 GLN N N 25.645 1.158 1.533 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25673_2n4n 1 . 10 . 4027 . 1 1 11 GLN NE2 N 27.566 4.564 4.620 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25673_2n4n 1 . 10 . 4028 . 1 1 11 GLN O O 28.437 0.662 2.881 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25673_2n4n 1 . 10 . 4029 . 1 1 11 GLN OE1 O 25.433 4.184 4.984 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25673_2n4n 1 . 10 . 4030 . 1 1 12 LYS C C 24.811 1.738 0.663 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25673_2n4n 1 . 10 . 4031 . 1 1 12 LYS CA C 24.110 0.731 -0.255 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25673_2n4n 1 . 10 . 4032 . 1 1 12 LYS CB C 24.244 1.050 -1.760 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25673_2n4n 1 . 10 . 4033 . 1 1 12 LYS CD C 22.962 3.239 -1.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25673_2n4n 1 . 10 . 4034 . 1 1 12 LYS CE C 21.834 4.078 -2.096 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25673_2n4n 1 . 10 . 4035 . 1 1 12 LYS CG C 23.103 1.952 -2.268 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25673_2n4n 1 . 10 . 4036 . 1 1 12 LYS H H 22.194 1.186 0.554 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25673_2n4n 1 . 10 . 4037 . 1 1 12 LYS HA H 24.631 -0.210 -0.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25673_2n4n 1 . 10 . 4038 . 1 1 12 LYS HB2 H 25.184 1.550 -1.926 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4039 . 1 1 12 LYS HB3 H 24.235 0.130 -2.326 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4040 . 1 1 12 LYS HD2 H 22.701 3.003 -0.461 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 4041 . 1 1 12 LYS HD3 H 23.886 3.786 -1.507 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 4042 . 1 1 12 LYS HE2 H 21.706 4.989 -1.537 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 10 . 4043 . 1 1 12 LYS HE3 H 22.081 4.313 -3.120 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 10 . 4044 . 1 1 12 LYS HG2 H 23.292 2.201 -3.301 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4045 . 1 1 12 LYS HG3 H 22.179 1.399 -2.208 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 4046 . 1 1 12 LYS HZ1 H 19.758 3.969 -2.062 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 10 . 4047 . 1 1 12 LYS HZ2 H 20.529 2.733 -1.188 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 10 . 4048 . 1 1 12 LYS HZ3 H 20.503 2.691 -2.885 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 10 . 4049 . 1 1 12 LYS N N 22.717 0.479 0.073 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25673_2n4n 1 . 10 . 4050 . 1 1 12 LYS NZ N 20.560 3.309 -2.054 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25673_2n4n 1 . 10 . 4051 . 1 1 12 LYS O O 24.641 2.962 0.590 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25673_2n4n 1 . 10 . 4052 . 1 1 13 PHE C C 22.133 -0.665 -0.294 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25673_2n4n 1 . 10 . 4053 . 1 1 13 PHE CA C 20.666 -0.807 0.059 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25673_2n4n 1 . 10 . 4054 . 1 1 13 PHE CB C 20.490 -1.746 1.277 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25673_2n4n 1 . 10 . 4055 . 1 1 13 PHE CD1 C 18.045 -0.922 1.302 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25673_2n4n 1 . 10 . 4056 . 1 1 13 PHE CD2 C 18.754 -2.586 2.914 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25673_2n4n 1 . 10 . 4057 . 1 1 13 PHE CE1 C 16.768 -0.940 1.844 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25673_2n4n 1 . 10 . 4058 . 1 1 13 PHE CE2 C 17.461 -2.592 3.456 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25673_2n4n 1 . 10 . 4059 . 1 1 13 PHE CG C 19.059 -1.750 1.829 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25673_2n4n 1 . 10 . 4060 . 1 1 13 PHE CZ C 16.472 -1.764 2.913 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25673_2n4n 1 . 10 . 4061 . 1 1 13 PHE H H 19.995 -2.298 -1.286 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25673_2n4n 1 . 10 . 4062 . 1 1 13 PHE HA H 20.298 0.173 0.309 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25673_2n4n 1 . 10 . 4063 . 1 1 13 PHE HB2 H 20.722 -2.745 0.962 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4064 . 1 1 13 PHE HB3 H 21.177 -1.472 2.058 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4065 . 1 1 13 PHE HD1 H 18.234 -0.278 0.489 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25673_2n4n 1 . 10 . 4066 . 1 1 13 PHE HD2 H 19.517 -3.227 3.331 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 4067 . 1 1 13 PHE HE1 H 16.003 -0.306 1.433 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25673_2n4n 1 . 10 . 4068 . 1 1 13 PHE HE2 H 17.228 -3.236 4.290 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25673_2n4n 1 . 10 . 4069 . 1 1 13 PHE HZ H 15.481 -1.756 3.319 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25673_2n4n 1 . 10 . 4070 . 1 1 13 PHE N N 19.908 -1.344 -1.077 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25673_2n4n 1 . 10 . 4071 . 1 1 13 PHE O O 22.725 -1.546 -0.913 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25673_2n4n 1 . 10 . 4072 . 1 1 14 ILE C C 19.076 -0.607 -1.809 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25673_2n4n 1 . 10 . 4073 . 1 1 14 ILE CA C 18.347 -1.373 -2.911 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25673_2n4n 1 . 10 . 4074 . 1 1 14 ILE CB C 18.884 -1.070 -4.338 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25673_2n4n 1 . 10 . 4075 . 1 1 14 ILE CD1 C 19.379 1.426 -4.019 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 10 . 4076 . 1 1 14 ILE CG1 C 18.599 0.372 -4.819 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4077 . 1 1 14 ILE CG2 C 18.251 -2.041 -5.338 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4078 . 1 1 14 ILE H H 16.559 -0.304 -2.463 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25673_2n4n 1 . 10 . 4079 . 1 1 14 ILE HA H 18.523 -2.425 -2.718 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25673_2n4n 1 . 10 . 4080 . 1 1 14 ILE HB H 19.954 -1.234 -4.338 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25673_2n4n 1 . 10 . 4081 . 1 1 14 ILE HD11 H 20.184 0.964 -3.467 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 10 . 4082 . 1 1 14 ILE HD12 H 18.716 1.936 -3.348 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 10 . 4083 . 1 1 14 ILE HD13 H 19.797 2.146 -4.708 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 10 . 4084 . 1 1 14 ILE HG12 H 18.875 0.454 -5.859 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 10 . 4085 . 1 1 14 ILE HG13 H 17.542 0.570 -4.723 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 10 . 4086 . 1 1 14 ILE HG21 H 18.318 -3.048 -4.957 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 10 . 4087 . 1 1 14 ILE HG22 H 18.778 -1.978 -6.280 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 10 . 4088 . 1 1 14 ILE HG23 H 17.216 -1.779 -5.490 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 10 . 4089 . 1 1 14 ILE N N 16.900 -1.154 -2.824 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25673_2n4n 1 . 10 . 4090 . 1 1 14 ILE O O 18.860 0.582 -1.584 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25673_2n4n 1 . 10 . 4091 . 1 1 15 ARG C C 16.036 -2.098 -3.198 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25673_2n4n 1 . 10 . 4092 . 1 1 15 ARG CA C 14.559 -1.769 -3.038 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25673_2n4n 1 . 10 . 4093 . 1 1 15 ARG CB C 14.111 -2.225 -1.627 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25673_2n4n 1 . 10 . 4094 . 1 1 15 ARG CD C 13.377 -4.602 -2.224 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25673_2n4n 1 . 10 . 4095 . 1 1 15 ARG CG C 14.302 -3.733 -1.370 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25673_2n4n 1 . 10 . 4096 . 1 1 15 ARG CZ C 10.980 -4.907 -2.499 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25673_2n4n 1 . 10 . 4097 . 1 1 15 ARG H H 14.294 -2.757 -4.893 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25673_2n4n 1 . 10 . 4098 . 1 1 15 ARG HA H 14.455 -0.693 -3.090 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25673_2n4n 1 . 10 . 4099 . 1 1 15 ARG HB2 H 14.686 -1.682 -0.894 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4100 . 1 1 15 ARG HB3 H 13.069 -1.978 -1.493 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4101 . 1 1 15 ARG HD2 H 13.581 -4.446 -3.265 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 4102 . 1 1 15 ARG HD3 H 13.548 -5.640 -1.982 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 4103 . 1 1 15 ARG HE H 11.801 -3.517 -1.318 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25673_2n4n 1 . 10 . 4104 . 1 1 15 ARG HG2 H 15.324 -3.999 -1.588 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4105 . 1 1 15 ARG HG3 H 14.104 -3.931 -0.327 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 4106 . 1 1 15 ARG HH11 H 12.148 -6.272 -3.378 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 10 . 4107 . 1 1 15 ARG HH12 H 10.449 -6.439 -3.670 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 10 . 4108 . 1 1 15 ARG HH21 H 9.573 -3.731 -1.694 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 10 . 4109 . 1 1 15 ARG HH22 H 8.992 -5.001 -2.718 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 10 . 4110 . 1 1 15 ARG N N 13.803 -2.340 -4.155 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25673_2n4n 1 . 10 . 4111 . 1 1 15 ARG NE N 11.990 -4.262 -1.927 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25673_2n4n 1 . 10 . 4112 . 1 1 15 ARG NH1 N 11.210 -5.953 -3.240 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 10 . 4113 . 1 1 15 ARG NH2 N 9.753 -4.516 -2.287 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 10 . 4114 . 1 1 15 ARG O O 16.390 -3.194 -3.632 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25673_2n4n 1 . 10 . 4115 . 1 1 16 VAL C C 12.477 -2.258 -4.236 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25673_2n4n 1 . 10 . 4116 . 1 1 16 VAL CA C 11.846 -2.838 -5.508 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25673_2n4n 1 . 10 . 4117 . 1 1 16 VAL CB C 10.543 -2.067 -5.792 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25673_2n4n 1 . 10 . 4118 . 1 1 16 VAL CG1 C 10.853 -0.568 -5.914 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4119 . 1 1 16 VAL CG2 C 9.906 -2.548 -7.103 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4120 . 1 1 16 VAL H H 11.446 -4.673 -4.495 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25673_2n4n 1 . 10 . 4121 . 1 1 16 VAL HA H 12.526 -2.674 -6.332 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25673_2n4n 1 . 10 . 4122 . 1 1 16 VAL HB H 9.852 -2.223 -4.976 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25673_2n4n 1 . 10 . 4123 . 1 1 16 VAL HG11 H 11.744 -0.431 -6.509 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 10 . 4124 . 1 1 16 VAL HG12 H 11.008 -0.149 -4.933 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 10 . 4125 . 1 1 16 VAL HG13 H 10.024 -0.064 -6.390 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 10 . 4126 . 1 1 16 VAL HG21 H 10.660 -2.596 -7.874 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 10 . 4127 . 1 1 16 VAL HG22 H 9.136 -1.852 -7.401 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 10 . 4128 . 1 1 16 VAL HG23 H 9.469 -3.523 -6.959 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 10 . 4129 . 1 1 16 VAL N N 11.576 -4.280 -5.382 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25673_2n4n 1 . 10 . 4130 . 1 1 16 VAL O O 11.782 -1.702 -3.386 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25673_2n4n 1 . 10 . 4131 . 1 1 17 . C11 C 10.095 -7.359 -8.781 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25673_2n4n 1 . 10 . 4132 . 1 1 17 . C12 C 9.320 -6.482 -7.811 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25673_2n4n 1 . 10 . 4133 . 1 1 17 . C13 C 9.740 -6.810 -6.387 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25673_2n4n 1 . 10 . 4134 . 1 1 17 . C14 C 11.227 -6.543 -6.212 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25673_2n4n 1 . 10 . 4135 . 1 1 17 . C15 C 11.513 -5.057 -6.440 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25673_2n4n 1 . 10 . 4136 . 1 1 17 . C7 C 13.503 -7.127 -7.019 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25673_2n4n 1 . 10 . 4137 . 1 1 17 . C8 C 12.009 -7.403 -7.192 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25673_2n4n 1 . 10 . 4138 . 1 1 17 . C9 C 11.587 -7.112 -8.625 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25673_2n4n 1 . 10 . 4139 . 1 1 17 . H111 H 9.801 -7.124 -9.804 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25673_2n4n 1 . 10 . 4140 . 1 1 17 . H112 H 9.877 -8.407 -8.575 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25673_2n4n 1 . 10 . 4141 . 1 1 17 . H12 H 8.255 -6.674 -7.934 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25673_2n4n 1 . 10 . 4142 . 1 1 17 . H14 H 11.515 -6.806 -5.194 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25673_2n4n 1 . 10 . 4143 . 1 1 17 . H8 H 11.819 -8.455 -6.978 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25673_2n4n 1 . 10 . 4144 . 1 1 17 . H9 H 11.825 -6.079 -8.878 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25673_2n4n 1 . 10 . 4145 . 1 1 17 . HAG H 9.525 -5.432 -8.018 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25673_2n4n 1 . 10 . 4146 . 1 1 17 . HAI H 12.126 -7.776 -9.300 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25673_2n4n 1 . 10 . 4147 . 1 1 17 . HAK H 9.176 -6.192 -5.687 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25673_2n4n 1 . 10 . 4148 . 1 1 17 . HAL H 9.532 -7.861 -6.190 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25673_2n4n 1 . 10 . 4149 . 1 1 17 . O1 O 13.887 -6.289 -6.203 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25673_2n4n 1 . 10 . 4150 . 1 1 17 . OAB O 11.678 -4.617 -7.576 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25673_2n4n 1 . 10 . 4151 . 1 1 18 GLY C C 16.217 -7.893 -6.193 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25673_2n4n 1 . 10 . 4152 . 1 1 18 GLY CA C 15.775 -7.622 -7.626 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25673_2n4n 1 . 10 . 4153 . 1 1 18 GLY H H 13.990 -8.483 -8.378 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25673_2n4n 1 . 10 . 4154 . 1 1 18 GLY HA2 H 16.286 -8.300 -8.295 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25673_2n4n 1 . 10 . 4155 . 1 1 18 GLY HA3 H 16.023 -6.605 -7.887 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25673_2n4n 1 . 10 . 4156 . 1 1 18 GLY N N 14.336 -7.816 -7.748 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25673_2n4n 1 . 10 . 4157 . 1 1 18 GLY O O 17.375 -7.682 -5.833 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25673_2n4n 1 . 10 . 4158 . 1 1 19 VAL C C 16.307 -7.525 -3.329 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25673_2n4n 1 . 10 . 4159 . 1 1 19 VAL CA C 15.548 -8.681 -3.982 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25673_2n4n 1 . 10 . 4160 . 1 1 19 VAL CB C 16.357 -9.988 -3.905 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25673_2n4n 1 . 10 . 4161 . 1 1 19 VAL CG1 C 16.632 -10.380 -2.442 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4162 . 1 1 19 VAL CG2 C 15.565 -11.103 -4.597 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4163 . 1 1 19 VAL H H 14.373 -8.520 -5.741 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25673_2n4n 1 . 10 . 4164 . 1 1 19 VAL HA H 14.606 -8.811 -3.460 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25673_2n4n 1 . 10 . 4165 . 1 1 19 VAL HB H 17.298 -9.852 -4.417 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25673_2n4n 1 . 10 . 4166 . 1 1 19 VAL HG11 H 17.508 -9.861 -2.085 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25673_2n4n 1 . 10 . 4167 . 1 1 19 VAL HG12 H 16.805 -11.446 -2.378 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25673_2n4n 1 . 10 . 4168 . 1 1 19 VAL HG13 H 15.780 -10.122 -1.830 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25673_2n4n 1 . 10 . 4169 . 1 1 19 VAL HG21 H 16.185 -11.983 -4.686 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25673_2n4n 1 . 10 . 4170 . 1 1 19 VAL HG22 H 15.262 -10.774 -5.580 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25673_2n4n 1 . 10 . 4171 . 1 1 19 VAL HG23 H 14.688 -11.339 -4.010 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25673_2n4n 1 . 10 . 4172 . 1 1 19 VAL N N 15.274 -8.370 -5.383 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25673_2n4n 1 . 10 . 4173 . 1 1 19 VAL O O 16.552 -6.500 -3.964 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25673_2n4n 1 . 10 . 4174 . 1 1 20 THR C C 18.781 -7.033 -0.972 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25673_2n4n 1 . 10 . 4175 . 1 1 20 THR CA C 17.348 -6.621 -1.312 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25673_2n4n 1 . 10 . 4176 . 1 1 20 THR CB C 16.591 -6.345 -0.012 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25673_2n4n 1 . 10 . 4177 . 1 1 20 THR CG2 C 17.280 -5.215 0.753 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4178 . 1 1 20 THR H H 16.409 -8.502 -1.583 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25673_2n4n 1 . 10 . 4179 . 1 1 20 THR HA H 17.371 -5.714 -1.900 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25673_2n4n 1 . 10 . 4180 . 1 1 20 THR HB H 16.579 -7.235 0.598 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25673_2n4n 1 . 10 . 4181 . 1 1 20 THR HG1 H 15.199 -5.836 -1.268 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4182 . 1 1 20 THR HG21 H 18.187 -5.587 1.205 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25673_2n4n 1 . 10 . 4183 . 1 1 20 THR HG22 H 16.618 -4.847 1.522 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25673_2n4n 1 . 10 . 4184 . 1 1 20 THR HG23 H 17.519 -4.413 0.070 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25673_2n4n 1 . 10 . 4185 . 1 1 20 THR N N 16.650 -7.677 -2.048 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25673_2n4n 1 . 10 . 4186 . 1 1 20 THR O O 19.011 -8.067 -0.346 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25673_2n4n 1 . 10 . 4187 . 1 1 20 THR OG1 O 15.262 -5.956 -0.318 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4188 . 1 1 21 ILE C C 21.757 -5.171 -0.482 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25673_2n4n 1 . 10 . 4189 . 1 1 21 ILE CA C 21.154 -6.430 -1.099 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25673_2n4n 1 . 10 . 4190 . 1 1 21 ILE CB C 21.872 -6.771 -2.406 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25673_2n4n 1 . 10 . 4191 . 1 1 21 ILE CD1 C 22.472 -5.959 -4.693 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25673_2n4n 1 . 10 . 4192 . 1 1 21 ILE CG1 C 21.724 -5.615 -3.403 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25673_2n4n 1 . 10 . 4193 . 1 1 21 ILE CG2 C 21.268 -8.040 -3.008 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4194 . 1 1 21 ILE H H 19.488 -5.382 -1.852 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25673_2n4n 1 . 10 . 4195 . 1 1 21 ILE HA H 21.263 -7.254 -0.406 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25673_2n4n 1 . 10 . 4196 . 1 1 21 ILE HB H 22.913 -6.933 -2.199 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25673_2n4n 1 . 10 . 4197 . 1 1 21 ILE HD11 H 21.915 -6.700 -5.246 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25673_2n4n 1 . 10 . 4198 . 1 1 21 ILE HD12 H 23.448 -6.349 -4.449 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25673_2n4n 1 . 10 . 4199 . 1 1 21 ILE HD13 H 22.580 -5.068 -5.294 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25673_2n4n 1 . 10 . 4200 . 1 1 21 ILE HG12 H 20.678 -5.460 -3.623 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25673_2n4n 1 . 10 . 4201 . 1 1 21 ILE HG13 H 22.140 -4.713 -2.982 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25673_2n4n 1 . 10 . 4202 . 1 1 21 ILE HG21 H 21.169 -8.793 -2.240 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25673_2n4n 1 . 10 . 4203 . 1 1 21 ILE HG22 H 21.915 -8.410 -3.792 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25673_2n4n 1 . 10 . 4204 . 1 1 21 ILE HG23 H 20.295 -7.817 -3.420 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25673_2n4n 1 . 10 . 4205 . 1 1 21 ILE N N 19.739 -6.194 -1.372 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25673_2n4n 1 . 10 . 4206 . 1 1 21 ILE O O 21.311 -4.070 -0.794 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25673_2n4n 1 . 10 . 4207 . 1 1 22 ARG C C 24.906 -4.199 0.989 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25673_2n4n 1 . 10 . 4208 . 1 1 22 ARG CA C 23.383 -4.157 1.038 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25673_2n4n 1 . 10 . 4209 . 1 1 22 ARG CB C 22.932 -4.072 2.501 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25673_2n4n 1 . 10 . 4210 . 1 1 22 ARG CD C 22.876 -5.234 4.702 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25673_2n4n 1 . 10 . 4211 . 1 1 22 ARG CG C 23.333 -5.345 3.247 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25673_2n4n 1 . 10 . 4212 . 1 1 22 ARG CZ C 20.800 -4.948 5.930 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25673_2n4n 1 . 10 . 4213 . 1 1 22 ARG H H 23.081 -6.224 0.607 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25673_2n4n 1 . 10 . 4214 . 1 1 22 ARG HA H 23.059 -3.260 0.541 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25673_2n4n 1 . 10 . 4215 . 1 1 22 ARG HB2 H 23.399 -3.219 2.971 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4216 . 1 1 22 ARG HB3 H 21.862 -3.961 2.543 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4217 . 1 1 22 ARG HD2 H 23.158 -6.131 5.234 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 4218 . 1 1 22 ARG HD3 H 23.354 -4.382 5.162 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 4219 . 1 1 22 ARG HE H 20.909 -5.041 3.933 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25673_2n4n 1 . 10 . 4220 . 1 1 22 ARG HG2 H 22.862 -6.198 2.782 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4221 . 1 1 22 ARG HG3 H 24.406 -5.461 3.216 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 4222 . 1 1 22 ARG HH11 H 22.469 -5.118 7.021 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25673_2n4n 1 . 10 . 4223 . 1 1 22 ARG HH12 H 21.005 -4.897 7.920 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25673_2n4n 1 . 10 . 4224 . 1 1 22 ARG HH21 H 18.985 -4.751 5.106 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25673_2n4n 1 . 10 . 4225 . 1 1 22 ARG HH22 H 19.033 -4.689 6.837 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25673_2n4n 1 . 10 . 4226 . 1 1 22 ARG N N 22.762 -5.323 0.390 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25673_2n4n 1 . 10 . 4227 . 1 1 22 ARG NE N 21.427 -5.074 4.765 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25673_2n4n 1 . 10 . 4228 . 1 1 22 ARG NH1 N 21.478 -4.991 7.044 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25673_2n4n 1 . 10 . 4229 . 1 1 22 ARG NH2 N 19.504 -4.783 5.960 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25673_2n4n 1 . 10 . 4230 . 1 1 22 ARG O O 25.523 -5.253 1.149 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25673_2n4n 1 . 10 . 4231 . 1 1 23 GLU C C 27.520 -2.243 2.002 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25673_2n4n 1 . 10 . 4232 . 1 1 23 GLU CA C 26.968 -2.878 0.726 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25673_2n4n 1 . 10 . 4233 . 1 1 23 GLU CB C 27.396 -2.059 -0.497 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25673_2n4n 1 . 10 . 4234 . 1 1 23 GLU CD C 25.521 -3.034 -1.864 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25673_2n4n 1 . 10 . 4235 . 1 1 23 GLU CG C 27.023 -2.805 -1.785 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25673_2n4n 1 . 10 . 4236 . 1 1 23 GLU H H 24.940 -2.217 0.669 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25673_2n4n 1 . 10 . 4237 . 1 1 23 GLU HA H 27.401 -3.855 0.637 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25673_2n4n 1 . 10 . 4238 . 1 1 23 GLU HB2 H 26.895 -1.101 -0.480 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4239 . 1 1 23 GLU HB3 H 28.464 -1.906 -0.471 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4240 . 1 1 23 GLU HG2 H 27.337 -2.221 -2.638 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4241 . 1 1 23 GLU HG3 H 27.529 -3.759 -1.803 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 4242 . 1 1 23 GLU N N 25.504 -3.019 0.781 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25673_2n4n 1 . 10 . 4243 . 1 1 23 GLU O O 26.803 -1.558 2.732 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25673_2n4n 1 . 10 . 4244 . 1 1 23 GLU OE1 O 24.795 -2.062 -1.842 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25673_2n4n 1 . 10 . 4245 . 1 1 23 GLU OE2 O 25.120 -4.184 -1.946 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25673_2n4n 1 . 10 . 4246 . 1 1 24 LYS C C 30.460 -0.865 3.079 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25673_2n4n 1 . 10 . 4247 . 1 1 24 LYS CA C 29.481 -1.969 3.456 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25673_2n4n 1 . 10 . 4248 . 1 1 24 LYS CB C 30.225 -3.103 4.175 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25673_2n4n 1 . 10 . 4249 . 1 1 24 LYS CD C 32.066 -4.852 3.915 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25673_2n4n 1 . 10 . 4250 . 1 1 24 LYS CE C 31.177 -6.014 4.388 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25673_2n4n 1 . 10 . 4251 . 1 1 24 LYS CG C 31.247 -3.744 3.219 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25673_2n4n 1 . 10 . 4252 . 1 1 24 LYS H H 29.319 -3.047 1.643 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25673_2n4n 1 . 10 . 4253 . 1 1 24 LYS HA H 28.744 -1.560 4.134 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25673_2n4n 1 . 10 . 4254 . 1 1 24 LYS HB2 H 30.735 -2.709 5.042 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25673_2n4n 1 . 10 . 4255 . 1 1 24 LYS HB3 H 29.504 -3.838 4.483 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25673_2n4n 1 . 10 . 4256 . 1 1 24 LYS HD2 H 32.800 -5.235 3.222 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25673_2n4n 1 . 10 . 4257 . 1 1 24 LYS HD3 H 32.575 -4.430 4.768 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25673_2n4n 1 . 10 . 4258 . 1 1 24 LYS HE2 H 30.483 -5.668 5.135 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25673_2n4n 1 . 10 . 4259 . 1 1 24 LYS HE3 H 30.637 -6.425 3.549 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25673_2n4n 1 . 10 . 4260 . 1 1 24 LYS HG2 H 30.722 -4.171 2.378 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25673_2n4n 1 . 10 . 4261 . 1 1 24 LYS HG3 H 31.925 -2.984 2.861 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25673_2n4n 1 . 10 . 4262 . 1 1 24 LYS HZ1 H 31.715 -8.005 4.674 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25673_2n4n 1 . 10 . 4263 . 1 1 24 LYS HZ2 H 31.971 -7.016 6.031 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25673_2n4n 1 . 10 . 4264 . 1 1 24 LYS HZ3 H 33.022 -6.926 4.700 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25673_2n4n 1 . 10 . 4265 . 1 1 24 LYS N N 28.808 -2.494 2.265 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25673_2n4n 1 . 10 . 4266 . 1 1 24 LYS NZ N 32.036 -7.070 4.994 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25673_2n4n 1 . 10 . 4267 . 1 1 24 LYS O O 31.122 -0.939 2.044 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25673_2n4n 1 . 10 . 4268 . 1 1 25 NH2 HN1 H 31.123 0.933 3.576 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25673_2n4n 1 . 10 . 4269 . 1 1 25 NH2 HN2 H 30.027 0.243 4.666 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25673_2n4n 1 . 10 . 4270 . 1 1 25 NH2 N N 30.552 0.188 3.841 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25673_2n4n 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 c25673_2n4n _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 2n4n.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25673_2n4n 1 1 2n4n.mr . . XPLOR/CNS 2 distance NOE ambi 151 c25673_2n4n 1 1 2n4n.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 21 c25673_2n4n 1 1 2n4n.mr . . XPLOR/CNS 4 'dihedral angle' 'Not applicable' 'Not applicable' 24 c25673_2n4n 1 1 2n4n.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25673_2n4n 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 c25673_2n4n _Gen_dist_constraint_list.ID 1 _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 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 . . . . c25673_2n4n 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 . . . . . 2.7 1.7 3.7 . . . . . A . 1 GLU HA . . A . 1 GLU HB2 . . . 1 . HA . . . . . 1 . HB2 . . c25673_2n4n 1 1 2 OR . 1 1 2 2 GLU HA H . . . 1 1 2 2 GLU HB3 H . . . . . 2.7 1.7 3.7 . . . . . A . 1 GLU HA . . A . 1 GLU HB3 . . . 1 . HA . . . . . 1 . HB1 . . c25673_2n4n 1 2 1 . . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HA H . . . . . 2.9 1.9 3.9 . . . . . A . 1 GLU H . . A . 1 GLU HA . . . 1 . HN . . . . . 1 . HA . . c25673_2n4n 1 3 1 OR . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 1 GLU H . . A . 1 GLU HB2 . . . 1 . HN . . . . . 1 . HB2 . . c25673_2n4n 1 3 2 OR . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HB3 H . . . . . 2.6 1.7 3.5 . . . . . A . 1 GLU H . . A . 1 GLU HB3 . . . 1 . HN . . . . . 1 . HB1 . . c25673_2n4n 1 4 1 OR . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HB2 H . . . . . 3.1 2.0 4.2 . . . . . A . 1 GLU H . . A . 1 GLU HB2 . . . 1 . HN . . . . . 1 . HB2 . . c25673_2n4n 1 4 2 OR . 1 1 2 2 GLU H H . . . 1 1 2 2 GLU HB3 H . . . . . 3.1 2.0 4.2 . . . . . A . 1 GLU H . . A . 1 GLU HB3 . . . 1 . HN . . . . . 1 . HB1 . . c25673_2n4n 1 5 1 . . 1 1 2 2 GLU HA H . . . 1 1 3 3 ARG H H . . . . . 2.5 1.6 3.4 . . . . . A . 1 GLU HA . . A . 2 ARG H . . . 1 . HA . . . . . 2 . HN . . c25673_2n4n 1 6 1 . . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HA H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ARG H . . A . 2 ARG HA . . . 2 . HN . . . . . 2 . HA . . c25673_2n4n 1 7 1 OR . 1 1 3 3 ARG HB2 H . . . 1 1 3 3 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HB2 . . A . 2 ARG HD2 . . . 2 . HB# . . . . . 2 . HD# . . c25673_2n4n 1 7 2 OR . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD2 . . . 2 . HB# . . . . . 2 . HD# . . c25673_2n4n 1 7 3 OR . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HB2 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HD3 . . A . 2 ARG HB2 . . . 2 . HD# . . . . . 2 . HB# . . c25673_2n4n 1 7 4 OR . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HD3 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD3 . . . 2 . HB# . . . . . 2 . HD# . . c25673_2n4n 1 8 1 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HB2 H . . . . . 2.6 1.7 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HB2 . . . 2 . HE . . . . . 2 . HB# . . c25673_2n4n 1 8 2 OR . 1 1 3 3 ARG HB3 H . . . 1 1 3 3 ARG HE H . . . . . 2.6 1.7 5.0 . . . . . A . 2 ARG HB3 . . A . 2 ARG HE . . . 2 . HB# . . . . . 2 . HE . . c25673_2n4n 1 9 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 2 ARG H . . A . 2 ARG HB2 . . . 2 . HN . . . . . 2 . HB# . . c25673_2n4n 1 9 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HB3 H . . . . . 2.9 1.9 3.9 . . . . . A . 2 ARG H . . A . 2 ARG HB3 . . . 2 . HN . . . . . 2 . HB# . . c25673_2n4n 1 10 1 OR . 1 1 3 3 ARG HE H . . . 1 1 3 3 ARG HD2 H . . . . . 2.4 1.5 3.3 . . . . . A . 2 ARG HE . . A . 2 ARG HD2 . . . 2 . HE . . . . . 2 . HD# . . c25673_2n4n 1 10 2 OR . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HE H . . . . . 2.4 1.5 3.3 . . . . . A . 2 ARG HD3 . . A . 2 ARG HE . . . 2 . HD# . . . . . 2 . HE . . c25673_2n4n 1 11 1 OR . 1 1 3 3 ARG HG2 H . . . 1 1 3 3 ARG HD2 H . . . . . 2.7 1.7 3.7 . . . . . A . 2 ARG HG2 . . A . 2 ARG HD2 . . . 2 . HG2 . . . . . 2 . HD# . . c25673_2n4n 1 11 2 OR . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HG2 H . . . . . 2.7 1.7 3.7 . . . . . A . 2 ARG HD3 . . A . 2 ARG HG2 . . . 2 . HD# . . . . . 2 . HG2 . . c25673_2n4n 1 11 3 OR . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HG3 H . . . . . 2.7 1.7 3.7 . . . . . A . 2 ARG HD3 . . A . 2 ARG HG3 . . . 2 . HD# . . . . . 2 . HG1 . . c25673_2n4n 1 11 4 OR . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HD2 H . . . . . 2.7 1.7 3.7 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD2 . . . 2 . HG1 . . . . . 2 . HD# . . c25673_2n4n 1 12 1 OR . 1 1 3 3 ARG HG2 H . . . 1 1 3 3 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HG2 . . A . 2 ARG HD2 . . . 2 . HG2 . . . . . 2 . HD# . . c25673_2n4n 1 12 2 OR . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HG2 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HD3 . . A . 2 ARG HG2 . . . 2 . HD# . . . . . 2 . HG2 . . c25673_2n4n 1 12 3 OR . 1 1 3 3 ARG HD3 H . . . 1 1 3 3 ARG HG3 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HD3 . . A . 2 ARG HG3 . . . 2 . HD# . . . . . 2 . HG1 . . c25673_2n4n 1 12 4 OR . 1 1 3 3 ARG HG3 H . . . 1 1 3 3 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD2 . . . 2 . HG1 . . . . . 2 . HD# . . c25673_2n4n 1 13 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HD2 H . . . . . 3.2 2.1 4.3 . . . . . A . 2 ARG H . . A . 2 ARG HD2 . . . 2 . HN . . . . . 2 . HD# . . c25673_2n4n 1 13 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HD3 H . . . . . 3.2 2.1 4.3 . . . . . A . 2 ARG H . . A . 2 ARG HD3 . . . 2 . HN . . . . . 2 . HD# . . c25673_2n4n 1 14 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 2 . HN . . . . . 2 . HG2 . . c25673_2n4n 1 14 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 . HN . . . . . 2 . HG1 . . c25673_2n4n 1 15 1 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 2 . HN . . . . . 2 . HG2 . . c25673_2n4n 1 15 2 OR . 1 1 3 3 ARG H H . . . 1 1 3 3 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 . HN . . . . . 2 . HG1 . . c25673_2n4n 1 16 1 . . 1 1 3 3 ARG HA H . . . 1 1 4 4 PHE H H . . . . . 2.5 1.6 3.4 . . . . . A . 2 ARG HA . . A . 3 PHE H . . . 2 . HA . . . . . 3 . HN . . c25673_2n4n 1 17 1 . . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HA H . . . . . 2.9 1.9 3.9 . . . . . A . 3 PHE H . . A . 3 PHE HA . . . 3 . HN . . . . . 3 . HA . . c25673_2n4n 1 18 1 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB2 H . . . . . 3.1 2.0 4.2 . . . . . A . 3 PHE H . . A . 3 PHE HB2 . . . 3 . HN . . . . . 3 . HB2 . . c25673_2n4n 1 18 2 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB3 H . . . . . 3.1 2.0 4.2 . . . . . A . 3 PHE H . . A . 3 PHE HB3 . . . 3 . HN . . . . . 3 . HB1 . . c25673_2n4n 1 19 1 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 PHE H . . A . 3 PHE HB2 . . . 3 . HN . . . . . 3 . HB2 . . c25673_2n4n 1 19 2 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 PHE H . . A . 3 PHE HB3 . . . 3 . HN . . . . . 3 . HB1 . . c25673_2n4n 1 20 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR QD H . . . . . 2.7 1.8 3.6 . . . . . A . 4 TYR HA . . A . 4 TYR QD . . . 4 . HA . . . . . 4 . HD# . . c25673_2n4n 1 21 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR H H . . . . . 2.5 1.6 3.4 . . . . . A . 4 TYR HA . . A . 4 TYR H . . . 4 . HA . . . . . 4 . HN . . c25673_2n4n 1 22 1 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 4 TYR QD . . A . 4 TYR HB2 . . . 4 . HD# . . . . . 4 . HB2 . . c25673_2n4n 1 22 2 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 4 TYR QD . . A . 4 TYR HB3 . . . 4 . HD# . . . . . 4 . HB1 . . c25673_2n4n 1 23 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 4 TYR H . . A . 4 TYR HB2 . . . 4 . HN . . . . . 4 . HB2 . . c25673_2n4n 1 23 2 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . 2.9 1.9 3.9 . . . . . A . 4 TYR H . . A . 4 TYR HB3 . . . 4 . HN . . . . . 4 . HB1 . . c25673_2n4n 1 24 1 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB2 H . . . . . 2.5 1.6 3.4 . . . . . A . 4 TYR QD . . A . 4 TYR HB2 . . . 4 . HD# . . . . . 4 . HB2 . . c25673_2n4n 1 24 2 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB3 H . . . . . 2.5 1.6 3.4 . . . . . A . 4 TYR QD . . A . 4 TYR HB3 . . . 4 . HD# . . . . . 4 . HB1 . . c25673_2n4n 1 25 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 TYR H . . A . 4 TYR HB2 . . . 4 . HN . . . . . 4 . HB2 . . c25673_2n4n 1 25 2 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 TYR H . . A . 4 TYR HB3 . . . 4 . HN . . . . . 4 . HB1 . . c25673_2n4n 1 26 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR QE H . . . . . 2.4 1.6 3.2 . . . . . A . 4 TYR QD . . A . 4 TYR QE . . . 4 . HD# . . . . . 4 . HE# . . c25673_2n4n 1 27 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR H H . . . . . 2.7 1.8 5.0 . . . . . A . 4 TYR QD . . A . 4 TYR H . . . 4 . HD# . . . . . 4 . HN . . c25673_2n4n 1 28 1 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 5 GLU HA . . A . 5 GLU HB2 . . . 5 . HA . . . . . 5 . HB# . . c25673_2n4n 1 28 2 OR . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU HB3 H . . . . . 2.6 1.7 3.5 . . . . . A . 5 GLU HA . . A . 5 GLU HB3 . . . 5 . HA . . . . . 5 . HB# . . c25673_2n4n 1 29 1 . . 1 1 6 6 GLU HA H . . . 1 1 6 6 GLU H H . . . . . 2.4 1.5 3.3 . . . . . A . 5 GLU HA . . A . 5 GLU H . . . 5 . HA . . . . . 5 . HN . . c25673_2n4n 1 30 1 OR . 1 1 6 6 GLU HB2 H . . . 1 1 6 6 GLU HG2 H . . . . . 2.5 1.6 3.4 . . . . . A . 5 GLU HB2 . . A . 5 GLU HG2 . . . 5 . HB# . . . . . 5 . HG# . . c25673_2n4n 1 30 2 OR . 1 1 6 6 GLU HB3 H . . . 1 1 6 6 GLU HG2 H . . . . . 2.5 1.6 3.4 . . . . . A . 5 GLU HB3 . . A . 5 GLU HG2 . . . 5 . HB# . . . . . 5 . HG# . . c25673_2n4n 1 30 3 OR . 1 1 6 6 GLU HG3 H . . . 1 1 6 6 GLU HB2 H . . . . . 2.5 1.6 3.4 . . . . . A . 5 GLU HG3 . . A . 5 GLU HB2 . . . 5 . HG# . . . . . 5 . HB# . . c25673_2n4n 1 30 4 OR . 1 1 6 6 GLU HB3 H . . . 1 1 6 6 GLU HG3 H . . . . . 2.5 1.6 3.4 . . . . . A . 5 GLU HB3 . . A . 5 GLU HG3 . . . 5 . HB# . . . . . 5 . HG# . . c25673_2n4n 1 31 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 5 GLU H . . A . 5 GLU HB2 . . . 5 . HN . . . . . 5 . HB# . . c25673_2n4n 1 31 2 OR . 1 1 6 6 GLU HB3 H . . . 1 1 6 6 GLU H H . . . . . 2.9 1.9 3.9 . . . . . A . 5 GLU HB3 . . A . 5 GLU H . . . 5 . HB# . . . . . 5 . HN . . c25673_2n4n 1 32 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 5 GLU H . . A . 5 GLU HG2 . . . 5 . HN . . . . . 5 . HG# . . c25673_2n4n 1 32 2 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 5 GLU H . . A . 5 GLU HG3 . . . 5 . HN . . . . . 5 . HG# . . c25673_2n4n 1 33 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS H H . . . . . 2.5 1.6 3.4 . . . . . A . 6 LYS HA . . A . 6 LYS H . . . 6 . HA . . . . . 6 . HN . . c25673_2n4n 1 34 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 . HN . . . . . 6 . HB# . . c25673_2n4n 1 34 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 . HN . . . . . 6 . HB# . . c25673_2n4n 1 35 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD2 H . . . . . 2.7 0.0 5.0 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 . HN . . . . . 6 . HD# . . c25673_2n4n 1 35 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD3 H . . . . . 2.7 0.0 5.0 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 . HN . . . . . 6 . HD# . . c25673_2n4n 1 36 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 . . . 9 . HA . . . . . 9 . HB . . c25673_2n4n 1 37 1 OR . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG1 H . . . . . 2.6 1.7 3.5 . . . . . A . 9 VAL HA . . A . 9 VAL MG1 . . . 9 . HA . . . . . 9 . HG* . . c25673_2n4n 1 37 2 OR . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 9 VAL HA . . A . 9 VAL MG2 . . . 9 . HA . . . . . 9 . HG* . . c25673_2n4n 1 38 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL H H . . . . . 3.2 2.1 4.3 . . . . . A . 9 VAL HA . . A . 9 VAL H . . . 9 . HA . . . . . 9 . HN . . c25673_2n4n 1 39 1 OR . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG1 H . . . . . 2.6 1.7 3.5 . . . . . A . 9 VAL HB . . A . 9 VAL MG1 . . . 9 . HB . . . . . 9 . HG* . . c25673_2n4n 1 39 2 OR . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 9 VAL HB . . A . 9 VAL MG2 . . . 9 . HB . . . . . 9 . HG* . . c25673_2n4n 1 40 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL H H . . . . . 2.7 1.8 3.6 . . . . . A . 9 VAL HB . . A . 9 VAL H . . . 9 . HB . . . . . 9 . HN . . c25673_2n4n 1 41 1 OR . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG1 H . . . . . 2.7 1.7 3.7 . . . . . A . 9 VAL H . . A . 9 VAL MG1 . . . 9 . HN . . . . . 9 . HG* . . c25673_2n4n 1 41 2 OR . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL H H . . . . . 2.7 1.7 3.7 . . . . . A . 9 VAL MG2 . . A . 9 VAL H . . . 9 . HG* . . . . . 9 . HN . . c25673_2n4n 1 42 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 . . . 10 . HA . . . . . 10 . HN . . c25673_2n4n 1 43 1 OR . 1 1 11 11 GLN HB3 H . . . 1 1 11 11 GLN HG2 H . . . . . 2.3 1.5 3.1 . . . . . A . 10 GLN HB3 . . A . 10 GLN HG2 . . . 10 . HB# . . . . . 10 . HG# . . c25673_2n4n 1 43 2 OR . 1 1 11 11 GLN HB2 H . . . 1 1 11 11 GLN HG2 H . . . . . 2.3 1.5 3.1 . . . . . A . 10 GLN HB2 . . A . 10 GLN HG2 . . . 10 . HB# . . . . . 10 . HG# . . c25673_2n4n 1 43 3 OR . 1 1 11 11 GLN HG3 H . . . 1 1 11 11 GLN HB2 H . . . . . 2.3 1.5 3.1 . . . . . A . 10 GLN HG3 . . A . 10 GLN HB2 . . . 10 . HG# . . . . . 10 . HB# . . c25673_2n4n 1 43 4 OR . 1 1 11 11 GLN HB3 H . . . 1 1 11 11 GLN HG3 H . . . . . 2.3 1.5 3.1 . . . . . A . 10 GLN HB3 . . A . 10 GLN HG3 . . . 10 . HB# . . . . . 10 . HG# . . c25673_2n4n 1 44 1 OR . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN H . . A . 10 GLN HB2 . . . 10 . HN . . . . . 10 . HB# . . c25673_2n4n 1 44 2 OR . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HB3 H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN H . . A . 10 GLN HB3 . . . 10 . HN . . . . . 10 . HB# . . c25673_2n4n 1 45 1 OR . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 10 GLN H . . A . 10 GLN HG2 . . . 10 . HN . . . . . 10 . HG# . . c25673_2n4n 1 45 2 OR . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 10 GLN H . . A . 10 GLN HG3 . . . 10 . HN . . . . . 10 . HG# . . c25673_2n4n 1 46 1 . . 1 1 11 11 GLN H H . . . 1 1 12 12 LYS HA H . . . . . 2.4 1.6 3.2 . . . . . A . 10 GLN H . . A . 11 LYS HA . . . 10 . HN . . . . . 11 . HA . . c25673_2n4n 1 47 1 . . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS H H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LYS HA . . A . 11 LYS H . . . 11 . HA . . . . . 11 . HN . . c25673_2n4n 1 48 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB2 H . . . . . 2.7 1.7 3.7 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 . HN . . . . . 11 . HB# . . c25673_2n4n 1 48 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB3 H . . . . . 2.7 1.7 3.7 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 . HN . . . . . 11 . HB# . . c25673_2n4n 1 49 1 OR . 1 1 12 12 LYS HD2 H . . . 1 1 12 12 LYS HE2 H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS HD2 . . A . 11 LYS HE2 . . . 11 . HD# . . . . . 11 . HE# . . c25673_2n4n 1 49 2 OR . 1 1 12 12 LYS HD3 H . . . 1 1 12 12 LYS HE2 H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS HD3 . . A . 11 LYS HE2 . . . 11 . HD# . . . . . 11 . HE# . . c25673_2n4n 1 49 3 OR . 1 1 12 12 LYS HE3 H . . . 1 1 12 12 LYS HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS HE3 . . A . 11 LYS HD2 . . . 11 . HE# . . . . . 11 . HD# . . c25673_2n4n 1 49 4 OR . 1 1 12 12 LYS HD3 H . . . 1 1 12 12 LYS HE3 H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS HD3 . . A . 11 LYS HE3 . . . 11 . HD# . . . . . 11 . HE# . . c25673_2n4n 1 50 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD2 H . . . . . 2.8 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HD2 . . . 11 . HN . . . . . 11 . HD# . . c25673_2n4n 1 50 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD3 H . . . . . 2.8 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HD3 . . . 11 . HN . . . . . 11 . HD# . . c25673_2n4n 1 51 1 OR . 1 1 12 12 LYS HE2 H . . . 1 1 12 12 LYS HG2 H . . . . . 2.7 1.8 3.6 . . . . . A . 11 LYS HE2 . . A . 11 LYS HG2 . . . 11 . HE# . . . . . 11 . HG# . . c25673_2n4n 1 51 2 OR . 1 1 12 12 LYS HE3 H . . . 1 1 12 12 LYS HG2 H . . . . . 2.7 1.8 3.6 . . . . . A . 11 LYS HE3 . . A . 11 LYS HG2 . . . 11 . HE# . . . . . 11 . HG# . . c25673_2n4n 1 51 3 OR . 1 1 12 12 LYS HG3 H . . . 1 1 12 12 LYS HE2 H . . . . . 2.7 1.8 3.6 . . . . . A . 11 LYS HG3 . . A . 11 LYS HE2 . . . 11 . HG# . . . . . 11 . HE# . . c25673_2n4n 1 51 4 OR . 1 1 12 12 LYS HE3 H . . . 1 1 12 12 LYS HG3 H . . . . . 2.7 1.8 3.6 . . . . . A . 11 LYS HE3 . . A . 11 LYS HG3 . . . 11 . HE# . . . . . 11 . HG# . . c25673_2n4n 1 52 1 OR . 1 1 12 12 LYS QZ H . . . 1 1 12 12 LYS HE2 H . . . . . 2.7 1.7 3.7 . . . . . A . 11 LYS QZ . . A . 11 LYS HE2 . . . 11 . HZ# . . . . . 11 . HE# . . c25673_2n4n 1 52 2 OR . 1 1 12 12 LYS HE3 H . . . 1 1 12 12 LYS QZ H . . . . . 2.7 1.7 3.7 . . . . . A . 11 LYS HE3 . . A . 11 LYS QZ . . . 11 . HE# . . . . . 11 . HZ# . . c25673_2n4n 1 53 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 . HN . . . . . 11 . HG# . . c25673_2n4n 1 53 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG3 H . . . . . 3.1 2.0 4.2 . . . . . A . 11 LYS H . . A . 11 LYS HG3 . . . 11 . HN . . . . . 11 . HG# . . c25673_2n4n 1 54 1 OR . 1 1 12 12 LYS QZ H . . . 1 1 12 12 LYS HG2 H . . . . . 3.2 2.1 4.3 . . . . . A . 11 LYS QZ . . A . 11 LYS HG2 . . . 11 . HZ# . . . . . 11 . HG# . . c25673_2n4n 1 54 2 OR . 1 1 12 12 LYS HG3 H . . . 1 1 12 12 LYS QZ H . . . . . 3.2 2.1 4.3 . . . . . A . 11 LYS HG3 . . A . 11 LYS QZ . . . 11 . HG# . . . . . 11 . HZ# . . c25673_2n4n 1 55 1 . . 1 1 12 12 LYS H H . . . 1 1 13 13 PHE HA H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS H . . A . 12 PHE HA . . . 11 . HN . . . . . 12 . HA . . c25673_2n4n 1 56 1 . . 1 1 13 13 PHE HA H . . . 1 1 13 13 PHE H H . . . . . 3.3 2.2 4.4 . . . . . A . 12 PHE HA . . A . 12 PHE H . . . 12 . HA . . . . . 12 . HN . . c25673_2n4n 1 57 1 OR . 1 1 13 13 PHE H H . . . 1 1 13 13 PHE HB2 H . . . . . 3.1 2.0 4.2 . . . . . A . 12 PHE H . . A . 12 PHE HB2 . . . 12 . HN . . . . . 12 . HB# . . c25673_2n4n 1 57 2 OR . 1 1 13 13 PHE H H . . . 1 1 13 13 PHE HB3 H . . . . . 3.1 2.0 4.2 . . . . . A . 12 PHE H . . A . 12 PHE HB3 . . . 12 . HN . . . . . 12 . HB# . . c25673_2n4n 1 58 1 . . 1 1 13 13 PHE H H . . . 1 1 14 14 ILE HA H . . . . . 2.6 1.7 3.5 . . . . . A . 12 PHE H . . A . 13 ILE HA . . . 12 . HN . . . . . 13 . HA . . c25673_2n4n 1 59 1 . . 1 1 14 14 ILE HA H . . . 1 1 14 14 ILE H H . . . . . 2.6 1.7 3.5 . . . . . A . 13 ILE HA . . A . 13 ILE H . . . 13 . HA . . . . . 13 . HN . . c25673_2n4n 1 60 1 OR . 1 1 14 14 ILE MD H . . . 1 1 14 14 ILE HG12 H . . . . . 2.4 1.6 3.2 . . . . . A . 13 ILE MD . . A . 13 ILE HG12 . . . 13 . HD1# . . . . . 13 . HG12 . . c25673_2n4n 1 60 2 OR . 1 1 14 14 ILE MD H . . . 1 1 14 14 ILE HG13 H . . . . . 2.4 1.6 3.2 . . . . . A . 13 ILE MD . . A . 13 ILE HG13 . . . 13 . HD1# . . . . . 13 . HG11 . . c25673_2n4n 1 61 1 OR . 1 1 14 14 ILE MD H . . . 1 1 14 14 ILE HG12 H . . . . . 2.6 1.7 3.5 . . . . . A . 13 ILE MD . . A . 13 ILE HG12 . . . 13 . HD1# . . . . . 13 . HG12 . . c25673_2n4n 1 61 2 OR . 1 1 14 14 ILE MD H . . . 1 1 14 14 ILE HG13 H . . . . . 2.6 1.7 3.5 . . . . . A . 13 ILE MD . . A . 13 ILE HG13 . . . 13 . HD1# . . . . . 13 . HG11 . . c25673_2n4n 1 62 1 . . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE MD H . . . . . 3.2 0.0 4.3 . . . . . A . 13 ILE H . . A . 13 ILE MD . . . 13 . HN . . . . . 13 . HD1# . . c25673_2n4n 1 63 1 OR . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HG12 H . . . . . 3.3 2.2 4.4 . . . . . A . 13 ILE H . . A . 13 ILE HG12 . . . 13 . HN . . . . . 13 . HG12 . . c25673_2n4n 1 63 2 OR . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HG13 H . . . . . 3.3 2.2 4.4 . . . . . A . 13 ILE H . . A . 13 ILE HG13 . . . 13 . HN . . . . . 13 . HG11 . . c25673_2n4n 1 64 1 OR . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HG12 H . . . . . 2.7 1.8 3.6 . . . . . A . 13 ILE H . . A . 13 ILE HG12 . . . 13 . HN . . . . . 13 . HG12 . . c25673_2n4n 1 64 2 OR . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HG13 H . . . . . 2.7 1.8 3.6 . . . . . A . 13 ILE H . . A . 13 ILE HG13 . . . 13 . HN . . . . . 13 . HG11 . . c25673_2n4n 1 65 1 . . 1 1 14 14 ILE H H . . . 1 1 15 15 ARG HA H . . . . . 2.7 1.8 3.6 . . . . . A . 13 ILE H . . A . 14 ARG HA . . . 13 . HN . . . . . 14 . HA . . c25673_2n4n 1 66 1 . . 1 1 15 15 ARG HA H . . . 1 1 15 15 ARG H H . . . . . 2.7 1.7 3.7 . . . . . A . 14 ARG HA . . A . 14 ARG H . . . 14 . HA . . . . . 14 . HN . . c25673_2n4n 1 67 1 OR . 1 1 15 15 ARG HE H . . . 1 1 15 15 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ARG HE . . A . 14 ARG HB2 . . . 14 . HE . . . . . 14 . HB2 . . c25673_2n4n 1 67 2 OR . 1 1 15 15 ARG HB3 H . . . 1 1 15 15 ARG HE H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ARG HB3 . . A . 14 ARG HE . . . 14 . HB1 . . . . . 14 . HE . . c25673_2n4n 1 68 1 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . HB2 . . c25673_2n4n 1 68 2 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . HB1 . . c25673_2n4n 1 69 1 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . HB2 . . c25673_2n4n 1 69 2 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . HB1 . . c25673_2n4n 1 70 1 OR . 1 1 15 15 ARG HE H . . . 1 1 15 15 ARG HD2 H . . . . . 2.4 1.5 3.3 . . . . . A . 14 ARG HE . . A . 14 ARG HD2 . . . 14 . HE . . . . . 14 . HD# . . c25673_2n4n 1 70 2 OR . 1 1 15 15 ARG HE H . . . 1 1 15 15 ARG HD3 H . . . . . 2.4 1.5 3.3 . . . . . A . 14 ARG HE . . A . 14 ARG HD3 . . . 14 . HE . . . . . 14 . HD# . . c25673_2n4n 1 71 1 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HD2 H . . . . . 3.4 2.2 4.6 . . . . . A . 14 ARG H . . A . 14 ARG HD2 . . . 14 . HN . . . . . 14 . HD# . . c25673_2n4n 1 71 2 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HD3 H . . . . . 3.4 2.2 4.6 . . . . . A . 14 ARG H . . A . 14 ARG HD3 . . . 14 . HN . . . . . 14 . HD# . . c25673_2n4n 1 72 1 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 14 ARG H . . A . 14 ARG HG2 . . . 14 . HN . . . . . 14 . HG# . . c25673_2n4n 1 72 2 OR . 1 1 15 15 ARG H H . . . 1 1 15 15 ARG HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 14 ARG H . . A . 14 ARG HG3 . . . 14 . HN . . . . . 14 . HG# . . c25673_2n4n 1 73 1 . . 1 1 15 15 ARG H H . . . 1 1 16 16 VAL HA H . . . . . 2.5 1.6 3.4 . . . . . A . 14 ARG H . . A . 15 VAL HA . . . 14 . HN . . . . . 15 . HA . . c25673_2n4n 1 74 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL H H . . . . . 2.4 1.5 3.3 . . . . . A . 15 VAL HA . . A . 15 VAL H . . . 15 . HA . . . . . 15 . HN . . c25673_2n4n 1 75 1 OR . 1 1 16 16 VAL HB H . . . 1 1 16 16 VAL MG1 H . . . . . 2.5 1.6 3.4 . . . . . A . 15 VAL HB . . A . 15 VAL MG1 . . . 15 . HB . . . . . 15 . HG* . . c25673_2n4n 1 75 2 OR . 1 1 16 16 VAL HB H . . . 1 1 16 16 VAL MG2 H . . . . . 2.5 1.6 3.4 . . . . . A . 15 VAL HB . . A . 15 VAL MG2 . . . 15 . HB . . . . . 15 . HG* . . c25673_2n4n 1 76 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . 2.5 1.6 5.0 . . . . . A . 15 VAL H . . A . 15 VAL HB . . . 15 . HN . . . . . 15 . HB . . c25673_2n4n 1 77 1 OR . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG1 H . . . . . 2.7 1.8 3.6 . . . . . A . 15 VAL H . . A . 15 VAL MG1 . . . 15 . HN . . . . . 15 . HG* . . c25673_2n4n 1 77 2 OR . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG2 H . . . . . 2.7 1.8 3.6 . . . . . A . 15 VAL H . . A . 15 VAL MG2 . . . 15 . HN . . . . . 15 . HG* . . c25673_2n4n 1 78 1 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA2 H . . . . . 2.9 1.9 3.9 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . . . 17 . HN . . . . . 17 . HA2 . . c25673_2n4n 1 78 2 OR . 1 1 18 18 GLY HA3 H . . . 1 1 18 18 GLY H H . . . . . 2.9 1.9 3.9 . . . . . A . 17 GLY HA3 . . A . 17 GLY H . . . 17 . HA1 . . . . . 17 . HN . . c25673_2n4n 1 79 1 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA2 H . . . . . 3.4 2.2 4.6 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . . . 17 . HN . . . . . 17 . HA2 . . c25673_2n4n 1 79 2 OR . 1 1 18 18 GLY HA3 H . . . 1 1 18 18 GLY H H . . . . . 3.4 2.2 4.6 . . . . . A . 17 GLY HA3 . . A . 17 GLY H . . . 17 . HA1 . . . . . 17 . HN . . c25673_2n4n 1 80 1 OR . 1 1 19 19 VAL HA H . . . 1 1 19 19 VAL MG1 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 VAL HA . . A . 18 VAL MG1 . . . 18 . HA . . . . . 18 . HG* . . c25673_2n4n 1 80 2 OR . 1 1 19 19 VAL HA H . . . 1 1 19 19 VAL MG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 VAL HA . . A . 18 VAL MG2 . . . 18 . HA . . . . . 18 . HG* . . c25673_2n4n 1 81 1 . . 1 1 19 19 VAL HA H . . . 1 1 19 19 VAL H H . . . . . 3.8 2.5 5.1 . . . . . A . 18 VAL HA . . A . 18 VAL H . . . 18 . HA . . . . . 18 . HN . . c25673_2n4n 1 82 1 OR . 1 1 19 19 VAL HB H . . . 1 1 19 19 VAL MG1 H . . . . . 2.6 1.7 3.5 . . . . . A . 18 VAL HB . . A . 18 VAL MG1 . . . 18 . HB . . . . . 18 . HG* . . c25673_2n4n 1 82 2 OR . 1 1 19 19 VAL MG2 H . . . 1 1 19 19 VAL HB H . . . . . 2.6 1.7 3.5 . . . . . A . 18 VAL MG2 . . A . 18 VAL HB . . . 18 . HG* . . . . . 18 . HB . . c25673_2n4n 1 83 1 . . 1 1 19 19 VAL H H . . . 1 1 19 19 VAL HB H . . . . . 2.8 1.8 3.8 . . . . . A . 18 VAL H . . A . 18 VAL HB . . . 18 . HN . . . . . 18 . HB . . c25673_2n4n 1 84 1 OR . 1 1 19 19 VAL H H . . . 1 1 19 19 VAL MG1 H . . . . . 2.9 1.9 3.9 . . . . . A . 18 VAL H . . A . 18 VAL MG1 . . . 18 . HN . . . . . 18 . HG* . . c25673_2n4n 1 84 2 OR . 1 1 19 19 VAL MG2 H . . . 1 1 19 19 VAL H H . . . . . 2.9 1.9 3.9 . . . . . A . 18 VAL MG2 . . A . 18 VAL H . . . 18 . HG* . . . . . 18 . HN . . c25673_2n4n 1 85 1 . . 1 1 19 19 VAL HA H . . . 1 1 20 20 THR H H . . . . . 2.4 1.6 3.2 . . . . . A . 18 VAL HA . . A . 19 THR H . . . 18 . HA . . . . . 19 . HN . . c25673_2n4n 1 86 1 . . 1 1 20 20 THR H H . . . 1 1 20 20 THR HA H . . . . . 3.7 2.4 5.0 . . . . . A . 19 THR H . . A . 19 THR HA . . . 19 . HN . . . . . 19 . HA . . c25673_2n4n 1 87 1 . . 1 1 20 20 THR HB H . . . 1 1 20 20 THR MG H . . . . . 2.7 1.8 3.6 . . . . . A . 19 THR HB . . A . 19 THR MG . . . 19 . HB . . . . . 19 . HG2# . . c25673_2n4n 1 88 1 . . 1 1 20 20 THR H H . . . 1 1 20 20 THR HB H . . . . . 2.8 1.8 3.8 . . . . . A . 19 THR H . . A . 19 THR HB . . . 19 . HN . . . . . 19 . HB . . c25673_2n4n 1 89 1 . . 1 1 20 20 THR H H . . . 1 1 20 20 THR MG H . . . . . 3.2 2.1 4.3 . . . . . A . 19 THR H . . A . 19 THR MG . . . 19 . HN . . . . . 19 . HG2# . . c25673_2n4n 1 90 1 . . 1 1 20 20 THR HA H . . . 1 1 21 21 ILE H H . . . . . 2.6 1.7 3.5 . . . . . A . 19 THR HA . . A . 20 ILE H . . . 19 . HA . . . . . 20 . HN . . c25673_2n4n 1 91 1 . . 1 1 21 21 ILE H H . . . 1 1 21 21 ILE HA H . . . . . 2.7 1.7 3.7 . . . . . A . 20 ILE H . . A . 20 ILE HA . . . 20 . HN . . . . . 20 . HA . . c25673_2n4n 1 92 1 . . 1 1 21 21 ILE HB H . . . 1 1 21 21 ILE MG H . . . . . 2.4 1.6 3.2 . . . . . A . 20 ILE HB . . A . 20 ILE MG . . . 20 . HB . . . . . 20 . HG2# . . c25673_2n4n 1 93 1 . . 1 1 21 21 ILE H H . . . 1 1 21 21 ILE HB H . . . . . 2.6 1.7 3.5 . . . . . A . 20 ILE H . . A . 20 ILE HB . . . 20 . HN . . . . . 20 . HB . . c25673_2n4n 1 94 1 OR . 1 1 21 21 ILE MG H . . . 1 1 21 21 ILE HG13 H . . . . . 2.4 1.5 3.3 . . . . . A . 20 ILE MG . . A . 20 ILE HG13 . . . 20 . HG2# . . . . . 20 . HG11 . . c25673_2n4n 1 94 2 OR . 1 1 21 21 ILE MG H . . . 1 1 21 21 ILE HG12 H . . . . . 2.4 1.5 3.3 . . . . . A . 20 ILE MG . . A . 20 ILE HG12 . . . 20 . HG2# . . . . . 20 . HG12 . . c25673_2n4n 1 94 3 OR . 1 1 21 21 ILE MD H . . . 1 1 21 21 ILE HG12 H . . . . . 2.4 1.5 3.3 . . . . . A . 20 ILE MD . . A . 20 ILE HG12 . . . 20 . HD1# . . . . . 20 . HG12 . . c25673_2n4n 1 94 4 OR . 1 1 21 21 ILE MD H . . . 1 1 21 21 ILE HG13 H . . . . . 2.4 1.5 3.3 . . . . . A . 20 ILE MD . . A . 20 ILE HG13 . . . 20 . HD1# . . . . . 20 . HG11 . . c25673_2n4n 1 95 1 OR . 1 1 21 21 ILE MG H . . . 1 1 21 21 ILE HG13 H . . . . . 2.6 1.7 3.5 . . . . . A . 20 ILE MG . . A . 20 ILE HG13 . . . 20 . HG2# . . . . . 20 . HG11 . . c25673_2n4n 1 95 2 OR . 1 1 21 21 ILE MG H . . . 1 1 21 21 ILE HG12 H . . . . . 2.6 1.7 3.5 . . . . . A . 20 ILE MG . . A . 20 ILE HG12 . . . 20 . HG2# . . . . . 20 . HG12 . . c25673_2n4n 1 95 3 OR . 1 1 21 21 ILE MD H . . . 1 1 21 21 ILE HG12 H . . . . . 2.6 1.7 3.5 . . . . . A . 20 ILE MD . . A . 20 ILE HG12 . . . 20 . HD1# . . . . . 20 . HG12 . . c25673_2n4n 1 95 4 OR . 1 1 21 21 ILE MD H . . . 1 1 21 21 ILE HG13 H . . . . . 2.6 1.7 3.5 . . . . . A . 20 ILE MD . . A . 20 ILE HG13 . . . 20 . HD1# . . . . . 20 . HG11 . . c25673_2n4n 1 96 1 . . 1 1 21 21 ILE H H . . . 1 1 21 21 ILE MG H . . . . . 2.6 1.7 3.5 . . . . . A . 20 ILE H . . A . 20 ILE MG . . . 20 . HN . . . . . 20 . HG2# . . c25673_2n4n 1 97 1 . . 1 1 22 22 ARG HA H . . . 1 1 22 22 ARG H H . . . . . 2.4 1.6 3.2 . . . . . A . 21 ARG HA . . A . 21 ARG H . . . 21 . HA . . . . . 21 . HN . . c25673_2n4n 1 98 1 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD2 . . . 21 . HB1 . . . . . 21 . HD# . . c25673_2n4n 1 98 2 OR . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB2 . . A . 21 ARG HD2 . . . 21 . HB2 . . . . . 21 . HD# . . c25673_2n4n 1 98 3 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HD3 . . A . 21 ARG HB2 . . . 21 . HD# . . . . . 21 . HB2 . . c25673_2n4n 1 98 4 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HD3 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD3 . . . 21 . HB1 . . . . . 21 . HD# . . c25673_2n4n 1 99 1 OR . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HE H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG HB2 . . A . 21 ARG HE . . . 21 . HB2 . . . . . 21 . HE . . c25673_2n4n 1 99 2 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HE H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG HB3 . . A . 21 ARG HE . . . 21 . HB1 . . . . . 21 . HE . . c25673_2n4n 1 100 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG H . . A . 21 ARG HB2 . . . 21 . HN . . . . . 21 . HB2 . . c25673_2n4n 1 100 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG H . . A . 21 ARG HB3 . . . 21 . HN . . . . . 21 . HB1 . . c25673_2n4n 1 101 1 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD2 . . . 21 . HB1 . . . . . 21 . HD# . . c25673_2n4n 1 101 2 OR . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB2 . . A . 21 ARG HD2 . . . 21 . HB2 . . . . . 21 . HD# . . c25673_2n4n 1 101 3 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HD3 . . A . 21 ARG HB2 . . . 21 . HD# . . . . . 21 . HB2 . . c25673_2n4n 1 101 4 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HD3 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD3 . . . 21 . HB1 . . . . . 21 . HD# . . c25673_2n4n 1 102 1 OR . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HE H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG HB2 . . A . 21 ARG HE . . . 21 . HB2 . . . . . 21 . HE . . c25673_2n4n 1 102 2 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HE H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG HB3 . . A . 21 ARG HE . . . 21 . HB1 . . . . . 21 . HE . . c25673_2n4n 1 103 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG H . . A . 21 ARG HB2 . . . 21 . HN . . . . . 21 . HB2 . . c25673_2n4n 1 103 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG H . . A . 21 ARG HB3 . . . 21 . HN . . . . . 21 . HB1 . . c25673_2n4n 1 104 1 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG HE . . A . 21 ARG HD2 . . . 21 . HE . . . . . 21 . HD# . . c25673_2n4n 1 104 2 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HE H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG HD3 . . A . 21 ARG HE . . . 21 . HD# . . . . . 21 . HE . . c25673_2n4n 1 105 1 OR . 1 1 22 22 ARG HG2 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG HG2 . . A . 21 ARG HD2 . . . 21 . HG2 . . . . . 21 . HD# . . c25673_2n4n 1 105 2 OR . 1 1 22 22 ARG HG3 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG HG3 . . A . 21 ARG HD2 . . . 21 . HG1 . . . . . 21 . HD# . . c25673_2n4n 1 105 3 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HG2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG2 . . . 21 . HD# . . . . . 21 . HG2 . . c25673_2n4n 1 105 4 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HG3 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG3 . . . 21 . HD# . . . . . 21 . HG1 . . c25673_2n4n 1 106 1 OR . 1 1 22 22 ARG HG2 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HG2 . . A . 21 ARG HD2 . . . 21 . HG2 . . . . . 21 . HD# . . c25673_2n4n 1 106 2 OR . 1 1 22 22 ARG HG3 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HG3 . . A . 21 ARG HD2 . . . 21 . HG1 . . . . . 21 . HD# . . c25673_2n4n 1 106 3 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG2 . . . 21 . HD# . . . . . 21 . HG2 . . c25673_2n4n 1 106 4 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HG3 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG3 . . . 21 . HD# . . . . . 21 . HG1 . . c25673_2n4n 1 107 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HD2 H . . . . . 3.4 2.2 4.6 . . . . . A . 21 ARG H . . A . 21 ARG HD2 . . . 21 . HN . . . . . 21 . HD# . . c25673_2n4n 1 107 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HD3 H . . . . . 3.4 2.2 4.6 . . . . . A . 21 ARG H . . A . 21 ARG HD3 . . . 21 . HN . . . . . 21 . HD# . . c25673_2n4n 1 108 1 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HG2 H . . . . . 2.7 1.7 3.7 . . . . . A . 21 ARG HE . . A . 21 ARG HG2 . . . 21 . HE . . . . . 21 . HG2 . . c25673_2n4n 1 108 2 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HG3 H . . . . . 2.7 1.7 3.7 . . . . . A . 21 ARG HE . . A . 21 ARG HG3 . . . 21 . HE . . . . . 21 . HG1 . . c25673_2n4n 1 109 1 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HG2 H . . . . . 2.7 1.7 3.7 . . . . . A . 21 ARG HE . . A . 21 ARG HG2 . . . 21 . HE . . . . . 21 . HG2 . . c25673_2n4n 1 109 2 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HG3 H . . . . . 2.7 1.7 3.7 . . . . . A . 21 ARG HE . . A . 21 ARG HG3 . . . 21 . HE . . . . . 21 . HG1 . . c25673_2n4n 1 110 1 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG QH1 H . . . . . 2.2 1.4 3.0 . . . . . A . 21 ARG HE . . A . 21 ARG QH1 . . . 21 . HE . . . . . 21 . HH* . . c25673_2n4n 1 110 2 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG QH2 H . . . . . 2.2 1.4 3.0 . . . . . A . 21 ARG HE . . A . 21 ARG QH2 . . . 21 . HE . . . . . 21 . HH* . . c25673_2n4n 1 111 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG H . . A . 21 ARG HG2 . . . 21 . HN . . . . . 21 . HG2 . . c25673_2n4n 1 111 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG H . . A . 21 ARG HG3 . . . 21 . HN . . . . . 21 . HG1 . . c25673_2n4n 1 112 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG H . . A . 21 ARG HG2 . . . 21 . HN . . . . . 21 . HG2 . . c25673_2n4n 1 112 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG H . . A . 21 ARG HG3 . . . 21 . HN . . . . . 21 . HG1 . . c25673_2n4n 1 113 1 . . 1 1 23 23 GLU HA H . . . 1 1 23 23 GLU H H . . . . . 2.8 1.8 3.8 . . . . . A . 22 GLU HA . . A . 22 GLU H . . . 22 . HA . . . . . 22 . HN . . c25673_2n4n 1 114 1 OR . 1 1 23 23 GLU H H . . . 1 1 23 23 GLU HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 22 GLU H . . A . 22 GLU HB2 . . . 22 . HN . . . . . 22 . HB2 . . c25673_2n4n 1 114 2 OR . 1 1 23 23 GLU H H . . . 1 1 23 23 GLU HB3 H . . . . . 2.9 1.9 3.9 . . . . . A . 22 GLU H . . A . 22 GLU HB3 . . . 22 . HN . . . . . 22 . HB1 . . c25673_2n4n 1 115 1 OR . 1 1 23 23 GLU HB3 H . . . 1 1 23 23 GLU HG2 H . . . . . 2.4 1.6 3.2 . . . . . A . 22 GLU HB3 . . A . 22 GLU HG2 . . . 22 . HB1 . . . . . 22 . HG# . . c25673_2n4n 1 115 2 OR . 1 1 23 23 GLU HB2 H . . . 1 1 23 23 GLU HG2 H . . . . . 2.4 1.6 3.2 . . . . . A . 22 GLU HB2 . . A . 22 GLU HG2 . . . 22 . HB2 . . . . . 22 . HG# . . c25673_2n4n 1 115 3 OR . 1 1 23 23 GLU HB2 H . . . 1 1 23 23 GLU HG3 H . . . . . 2.4 1.6 3.2 . . . . . A . 22 GLU HB2 . . A . 22 GLU HG3 . . . 22 . HB2 . . . . . 22 . HG# . . c25673_2n4n 1 115 4 OR . 1 1 23 23 GLU HB3 H . . . 1 1 23 23 GLU HG3 H . . . . . 2.4 1.6 3.2 . . . . . A . 22 GLU HB3 . . A . 22 GLU HG3 . . . 22 . HB1 . . . . . 22 . HG# . . c25673_2n4n 1 116 1 OR . 1 1 23 23 GLU H H . . . 1 1 23 23 GLU HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 22 GLU H . . A . 22 GLU HB2 . . . 22 . HN . . . . . 22 . HB2 . . c25673_2n4n 1 116 2 OR . 1 1 23 23 GLU H H . . . 1 1 23 23 GLU HB3 H . . . . . 2.9 1.9 3.9 . . . . . A . 22 GLU H . . A . 22 GLU HB3 . . . 22 . HN . . . . . 22 . HB1 . . c25673_2n4n 1 117 1 OR . 1 1 23 23 GLU H H . . . 1 1 23 23 GLU HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 22 GLU H . . A . 22 GLU HG2 . . . 22 . HN . . . . . 22 . HG# . . c25673_2n4n 1 117 2 OR . 1 1 23 23 GLU H H . . . 1 1 23 23 GLU HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 22 GLU H . . A . 22 GLU HG3 . . . 22 . HN . . . . . 22 . HG# . . c25673_2n4n 1 118 1 . . 1 1 23 23 GLU HA H . . . 1 1 24 24 LYS H H . . . . . 2.4 1.6 3.2 . . . . . A . 22 GLU HA . . A . 23 LYS H . . . 22 . HA . . . . . 23 . HN . . c25673_2n4n 1 119 1 . . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HA H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS H . . A . 23 LYS HA . . . 23 . HN . . . . . 23 . HA . . c25673_2n4n 1 120 1 OR . 1 1 24 24 LYS HB2 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.5 1.6 3.4 . . . . . A . 23 LYS HB2 . . A . 23 LYS HE2 . . . 23 . HB# . . . . . 23 . HE# . . c25673_2n4n 1 120 2 OR . 1 1 24 24 LYS HB3 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.5 1.6 3.4 . . . . . A . 23 LYS HB3 . . A . 23 LYS HE2 . . . 23 . HB# . . . . . 23 . HE# . . c25673_2n4n 1 120 3 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HB2 H . . . . . 2.5 1.6 3.4 . . . . . A . 23 LYS HE3 . . A . 23 LYS HB2 . . . 23 . HE# . . . . . 23 . HB# . . c25673_2n4n 1 120 4 OR . 1 1 24 24 LYS HB3 H . . . 1 1 24 24 LYS HE3 H . . . . . 2.5 1.6 3.4 . . . . . A . 23 LYS HB3 . . A . 23 LYS HE3 . . . 23 . HB# . . . . . 23 . HE# . . c25673_2n4n 1 121 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS H . . A . 23 LYS HB2 . . . 23 . HN . . . . . 23 . HB# . . c25673_2n4n 1 121 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS H . . A . 23 LYS HB3 . . . 23 . HN . . . . . 23 . HB# . . c25673_2n4n 1 122 1 OR . 1 1 24 24 LYS QZ H . . . 1 1 24 24 LYS HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 23 LYS QZ . . A . 23 LYS HB2 . . . 23 . HZ# . . . . . 23 . HB# . . c25673_2n4n 1 122 2 OR . 1 1 24 24 LYS HB3 H . . . 1 1 24 24 LYS QZ H . . . . . 2.9 1.9 3.9 . . . . . A . 23 LYS HB3 . . A . 23 LYS QZ . . . 23 . HB# . . . . . 23 . HZ# . . c25673_2n4n 1 123 1 OR . 1 1 24 24 LYS HD2 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS HD2 . . A . 23 LYS HE2 . . . 23 . HD# . . . . . 23 . HE# . . c25673_2n4n 1 123 2 OR . 1 1 24 24 LYS HD3 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS HD3 . . A . 23 LYS HE2 . . . 23 . HD# . . . . . 23 . HE# . . c25673_2n4n 1 123 3 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HD2 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS HE3 . . A . 23 LYS HD2 . . . 23 . HE# . . . . . 23 . HD# . . c25673_2n4n 1 123 4 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HD3 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS HE3 . . A . 23 LYS HD3 . . . 23 . HE# . . . . . 23 . HD# . . c25673_2n4n 1 124 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HD2 H . . . . . 2.8 1.8 5.0 . . . . . A . 23 LYS H . . A . 23 LYS HD2 . . . 23 . HN . . . . . 23 . HD# . . c25673_2n4n 1 124 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HD3 H . . . . . 2.8 1.8 5.0 . . . . . A . 23 LYS H . . A . 23 LYS HD3 . . . 23 . HN . . . . . 23 . HD# . . c25673_2n4n 1 125 1 OR . 1 1 24 24 LYS QZ H . . . 1 1 24 24 LYS HD2 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS QZ . . A . 23 LYS HD2 . . . 23 . HZ# . . . . . 23 . HD# . . c25673_2n4n 1 125 2 OR . 1 1 24 24 LYS QZ H . . . 1 1 24 24 LYS HD3 H . . . . . 2.7 1.8 3.6 . . . . . A . 23 LYS QZ . . A . 23 LYS HD3 . . . 23 . HZ# . . . . . 23 . HD# . . c25673_2n4n 1 126 1 OR . 1 1 24 24 LYS HE2 H . . . 1 1 24 24 LYS HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 23 LYS HE2 . . A . 23 LYS HG2 . . . 23 . HE# . . . . . 23 . HG# . . c25673_2n4n 1 126 2 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 23 LYS HE3 . . A . 23 LYS HG2 . . . 23 . HE# . . . . . 23 . HG# . . c25673_2n4n 1 126 3 OR . 1 1 24 24 LYS HG3 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.6 1.7 3.5 . . . . . A . 23 LYS HG3 . . A . 23 LYS HE2 . . . 23 . HG# . . . . . 23 . HE# . . c25673_2n4n 1 126 4 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HG3 H . . . . . 2.6 1.7 3.5 . . . . . A . 23 LYS HE3 . . A . 23 LYS HG3 . . . 23 . HE# . . . . . 23 . HG# . . c25673_2n4n 1 127 1 OR . 1 1 24 24 LYS QZ H . . . 1 1 24 24 LYS HE2 H . . . . . 2.4 1.5 3.3 . . . . . A . 23 LYS QZ . . A . 23 LYS HE2 . . . 23 . HZ# . . . . . 23 . HE# . . c25673_2n4n 1 127 2 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS QZ H . . . . . 2.4 1.5 3.3 . . . . . A . 23 LYS HE3 . . A . 23 LYS QZ . . . 23 . HE# . . . . . 23 . HZ# . . c25673_2n4n 1 128 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 23 LYS H . . A . 23 LYS HG2 . . . 23 . HN . . . . . 23 . HG# . . c25673_2n4n 1 128 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 23 LYS H . . A . 23 LYS HG3 . . . 23 . HN . . . . . 23 . HG# . . c25673_2n4n 1 129 1 OR . 1 1 24 24 LYS QZ H . . . 1 1 24 24 LYS HG2 H . . . . . 3.0 2.0 4.0 . . . . . A . 23 LYS QZ . . A . 23 LYS HG2 . . . 23 . HZ# . . . . . 23 . HG# . . c25673_2n4n 1 129 2 OR . 1 1 24 24 LYS QZ H . . . 1 1 24 24 LYS HG3 H . . . . . 3.0 2.0 4.0 . . . . . A . 23 LYS QZ . . A . 23 LYS HG3 . . . 23 . HZ# . . . . . 23 . HG# . . c25673_2n4n 1 130 1 . . 1 1 3 3 ARG HA H . . . 1 1 13 13 PHE HZ H . . . . . 3.1 1.8 4.6 . . . . . A . 2 ARG HA . . A . 12 PHE HZ . . . 2 . HA . . . . . 12 . HZ . . c25673_2n4n 1 131 1 OR . 1 1 4 4 PHE HB2 H . . . 1 1 22 22 ARG QH1 H . . . . . 3.8 2.8 5.0 . . . . . A . 3 PHE HB2 . . A . 21 ARG QH1 . . . 3 . HB2 . . . . . 21 . HH1# . . c25673_2n4n 1 131 2 OR . 1 1 4 4 PHE HB2 H . . . 1 1 22 22 ARG QH2 H . . . . . 3.8 2.8 5.0 . . . . . A . 3 PHE HB2 . . A . 21 ARG QH2 . . . 3 . HB2 . . . . . 21 . HH2# . . c25673_2n4n 1 131 3 OR . 1 1 4 4 PHE HB3 H . . . 1 1 22 22 ARG QH2 H . . . . . 3.8 2.8 5.0 . . . . . A . 3 PHE HB3 . . A . 21 ARG QH2 . . . 3 . HB1 . . . . . 21 . HH2# . . c25673_2n4n 1 131 4 OR . 1 1 4 4 PHE HB3 H . . . 1 1 22 22 ARG QH1 H . . . . . 3.8 2.8 5.0 . . . . . A . 3 PHE HB3 . . A . 21 ARG QH1 . . . 3 . HB1 . . . . . 21 . HH1# . . c25673_2n4n 1 132 1 OR . 1 1 4 4 PHE HZ H . . . 1 1 11 11 GLN HG2 H . . . . . 3.6 2.6 5.0 . . . . . A . 3 PHE HZ . . A . 10 GLN HG2 . . . 3 . HZ . . . . . 10 . HG# . . c25673_2n4n 1 132 2 OR . 1 1 11 11 GLN HG3 H . . . 1 1 4 4 PHE HZ H . . . . . 3.6 2.6 5.0 . . . . . A . 10 GLN HG3 . . A . 3 PHE HZ . . . 10 . HG# . . . . . 3 . HZ . . c25673_2n4n 1 133 1 OR . 1 1 4 4 PHE HB2 H . . . 1 1 22 22 ARG HE H . . . . . 3.5 2.5 5.0 . . . . . A . 3 PHE HB2 . . A . 21 ARG HE . . . 3 . HB2 . . . . . 21 . HE . . c25673_2n4n 1 133 2 OR . 1 1 4 4 PHE HB3 H . . . 1 1 22 22 ARG HE H . . . . . 3.5 2.5 5.0 . . . . . A . 3 PHE HB3 . . A . 21 ARG HE . . . 3 . HB1 . . . . . 21 . HE . . c25673_2n4n 1 134 1 OR . 1 1 5 5 TYR QD H . . . 1 1 10 10 VAL MG1 H . . . . . 4.0 3.0 5.0 . . . . . A . 4 TYR QD . . A . 9 VAL MG1 . . . 4 . HD# . . . . . 9 . HG* . . c25673_2n4n 1 134 2 OR . 1 1 5 5 TYR QD H . . . 1 1 10 10 VAL MG2 H . . . . . 4.0 3.0 5.0 . . . . . A . 4 TYR QD . . A . 9 VAL MG2 . . . 4 . HD# . . . . . 9 . HG* . . c25673_2n4n 1 135 1 . . 1 1 10 10 VAL HA H . . . 1 1 24 24 LYS H H . . . . . 3.1 1.8 4.6 . . . . . A . 9 VAL HA . . A . 23 LYS H . . . 9 . HA . . . . . 23 . HN . . c25673_2n4n 1 136 1 . . 1 1 11 11 GLN H H . . . 1 1 23 23 GLU HA H . . . . . 3.1 2.1 4.1 . . . . . A . 10 GLN H . . A . 22 GLU HA . . . 10 . HN . . . . . 22 . HA . . c25673_2n4n 1 137 1 OR . 1 1 16 16 VAL H H . . . 1 1 15 15 ARG HD2 H . . . . . 3.5 2.5 4.5 . . . . . A . 15 VAL H . . A . 14 ARG HD2 . . . 15 . HN . . . . . 14 . HD# . . c25673_2n4n 1 137 2 OR . 1 1 15 15 ARG HD3 H . . . 1 1 16 16 VAL H H . . . . . 3.5 2.5 4.5 . . . . . A . 14 ARG HD3 . . A . 15 VAL H . . . 14 . HD# . . . . . 15 . HN . . c25673_2n4n 1 138 1 . . 1 1 15 15 ARG HE H . . . 1 1 20 20 THR MG H . . . . . 3.5 2.5 5.0 . . . . . A . 14 ARG HE . . A . 19 THR MG . . . 14 . HE . . . . . 19 . HG2# . . c25673_2n4n 1 139 1 . . 1 1 16 16 VAL H H . . . 1 1 19 19 VAL HA H . . . . . 3.2 2.2 5.0 . . . . . A . 15 VAL H . . A . 18 VAL HA . . . 15 . HN . . . . . 18 . HA . . c25673_2n4n 1 140 1 . . 1 1 2 2 GLU H H . . . 1 1 15 15 ARG HA H . . . . . 2.6 1.6 5.0 . . . . . A . 1 GLU H . . A . 14 ARG HA . . . 1 . HN . . . . . 14 . HA . . c25673_2n4n 1 141 1 . . 1 1 5 5 TYR HA H . . . 1 1 12 12 LYS H H . . . . . 2.7 1.7 5.0 . . . . . A . 4 TYR HA . . A . 11 LYS H . . . 4 . HA . . . . . 11 . HN . . c25673_2n4n 1 142 1 . . 1 1 6 6 GLU H H . . . 1 1 11 11 GLN HA H . . . . . 3.8 2.8 5.0 . . . . . A . 5 GLU H . . A . 10 GLN HA . . . 5 . HN . . . . . 10 . HA . . c25673_2n4n 1 143 1 . . 1 1 11 11 GLN H H . . . 1 1 24 24 LYS HA H . . . . . 2.7 1.7 5.0 . . . . . A . 10 GLN H . . A . 23 LYS HA . . . 10 . HN . . . . . 23 . HA . . c25673_2n4n 1 144 1 . . 1 1 12 12 LYS HA H . . . 1 1 23 23 GLU H H . . . . . 2.5 1.5 5.0 . . . . . A . 11 LYS HA . . A . 22 GLU H . . . 11 . HA . . . . . 22 . HN . . c25673_2n4n 1 145 1 . . 1 1 14 14 ILE HA H . . . 1 1 21 21 ILE H H . . . . . 1.7 0.7 5.0 . . . . . A . 13 ILE HA . . A . 20 ILE H . . . 13 . HA . . . . . 20 . HN . . c25673_2n4n 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 ; !VMK-II-070-3strand-NOEs-sq.tbl, edited VMKung 02/25/15 intra-residue or sequential (Ha-HN) ROE's ; 1 1 3 43 c25673_2n4n 1 2 "long-range ROE's" 141 1 141 18 c25673_2n4n 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 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .0.HA#' (nmrStar names) not linked" c25673_2n4n 1 2 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .7.HAI' (nmrStar names) not linked" c25673_2n4n 1 3 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .7.HAD' (nmrStar names),' .7.HAH' (nmrStar names) not linked" c25673_2n4n 1 4 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .7.HAI' (nmrStar names),' .7.HAH' (nmrStar names) not linked" c25673_2n4n 1 5 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.HB1' (nmrStar names),' .8.HD#' (nmrStar names) not linked" c25673_2n4n 1 6 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.HD#' (nmrStar names) not linked" c25673_2n4n 1 7 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .8.HB1' (nmrStar names),' .8.HD#' (nmrStar names) not linked" c25673_2n4n 1 8 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .8.HD#' (nmrStar names) not linked" c25673_2n4n 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 c25673_2n4n _Gen_dist_constraint_list.ID 2 _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 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 . . . . c25673_2n4n 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 13 13 PHE H H . . . 1 1 21 21 ILE O O . . . . . 1.9 1.5 2.5 . . . . . A . 12 PHE H . . A . 20 ILE O . . . 12 . HN . . . . . 20 . O . . c25673_2n4n 2 2 1 . . 1 1 21 21 ILE O O . . . 1 1 13 13 PHE N N . . . . . 2.9 2.4 3.6 . . . . . A . 20 ILE O . . A . 12 PHE N . . . 20 . O . . . . . 12 . N . . c25673_2n4n 2 3 1 . . 1 1 23 23 GLU H H . . . 1 1 13 13 PHE O O . . . . . 1.9 1.5 2.5 . . . . . A . 22 GLU H . . A . 12 PHE O . . . 22 . HN . . . . . 12 . O . . c25673_2n4n 2 4 1 . . 1 1 13 13 PHE O O . . . 1 1 23 23 GLU N N . . . . . 2.9 2.4 3.6 . . . . . A . 12 PHE O . . A . 22 GLU N . . . 12 . O . . . . . 22 . N . . c25673_2n4n 2 5 1 . . 1 1 11 11 GLN H H . . . 1 1 23 23 GLU O O . . . . . 1.9 1.5 2.5 . . . . . A . 10 GLN H . . A . 22 GLU O . . . 10 . HN . . . . . 22 . O . . c25673_2n4n 2 6 1 . . 1 1 23 23 GLU O O . . . 1 1 11 11 GLN N N . . . . . 2.9 2.4 3.6 . . . . . A . 22 GLU O . . A . 10 GLN N . . . 22 . O . . . . . 10 . N . . c25673_2n4n 2 7 1 . . 1 1 10 10 VAL H H . . . 1 1 6 6 GLU O O . . . . . 1.9 1.5 2.5 . . . . . A . 9 VAL H . . A . 5 GLU O . . . 9 . HN . . . . . 5 . O . . c25673_2n4n 2 8 1 . . 1 1 6 6 GLU O O . . . 1 1 10 10 VAL N N . . . . . 2.9 2.4 3.6 . . . . . A . 5 GLU O . . A . 9 VAL N . . . 5 . O . . . . . 9 . N . . c25673_2n4n 2 9 1 . . 1 1 6 6 GLU H H . . . 1 1 12 12 LYS O O . . . . . 1.9 1.5 2.5 . . . . . A . 5 GLU H . . A . 11 LYS O . . . 5 . HN . . . . . 11 . O . . c25673_2n4n 2 10 1 . . 1 1 12 12 LYS O O . . . 1 1 6 6 GLU N N . . . . . 2.9 2.4 3.6 . . . . . A . 11 LYS O . . A . 5 GLU N . . . 11 . O . . . . . 5 . N . . c25673_2n4n 2 11 1 . . 1 1 12 12 LYS H H . . . 1 1 4 4 PHE O O . . . . . 1.9 1.5 2.5 . . . . . A . 11 LYS H . . A . 3 PHE O . . . 11 . HN . . . . . 3 . O . . c25673_2n4n 2 12 1 . . 1 1 4 4 PHE O O . . . 1 1 12 12 LYS N N . . . . . 2.9 2.4 3.6 . . . . . A . 3 PHE O . . A . 11 LYS N . . . 3 . O . . . . . 11 . N . . c25673_2n4n 2 13 1 . . 1 1 4 4 PHE H H . . . 1 1 14 14 ILE O O . . . . . 1.9 1.5 2.5 . . . . . A . 3 PHE H . . A . 13 ILE O . . . 3 . HN . . . . . 13 . O . . c25673_2n4n 2 14 1 . . 1 1 14 14 ILE O O . . . 1 1 4 4 PHE N N . . . . . 2.9 2.4 3.6 . . . . . A . 13 ILE O . . A . 3 PHE N . . . 13 . O . . . . . 3 . N . . c25673_2n4n 2 15 1 . . 1 1 14 14 ILE H H . . . 1 1 2 2 GLU O O . . . . . 1.9 1.5 2.5 . . . . . A . 13 ILE H . . A . 1 GLU O . . . 13 . HN . . . . . 1 . O . . c25673_2n4n 2 16 1 . . 1 1 2 2 GLU O O . . . 1 1 14 14 ILE N N . . . . . 2.9 2.4 3.6 . . . . . A . 1 GLU O . . A . 13 ILE N . . . 1 . O . . . . . 13 . N . . c25673_2n4n 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-070-3strand peptide, last edit 7/26/14 VMKung ! Between top strand & middle strand: ; 1 1 3 39 c25673_2n4n 2 2 '! Between middle strand & bottom strand:' 18 1 18 42 c25673_2n4n 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 3 7 1 "Not handling restraint 7, item 1, resonance(s) ' .23.H1' (nmrStar names) not linked" c25673_2n4n 2 2 3 8 1 "Not handling restraint 8, item 1, resonance(s) ' .23.H2' (nmrStar names) not linked" c25673_2n4n 2 3 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .23.NT' (nmrStar names) not linked" c25673_2n4n 2 4 3 10 1 "Not handling restraint 10, item 1, resonance(s) ' .7.HAI' (nmrStar names) not linked" c25673_2n4n 2 5 3 11 1 "Not handling restraint 11, item 1, resonance(s) ' .7.NAC' (nmrStar names) not linked" c25673_2n4n 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Entry_ID c25673_2n4n _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c25673_2n4n 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 2 2 GLU C C . . 1 1 3 3 ARG N N . . 1 1 3 3 ARG CA C . . 1 1 3 3 ARG C C . -180.0 -110.0 . . . A . 1 GLU C . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . c25673_2n4n 1 2 . . 1 1 3 3 ARG N N . . 1 1 3 3 ARG CA C . . 1 1 3 3 ARG C C . . 1 1 4 4 PHE N N . 90.0 180.0 . . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . A . 3 PHE N . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . . . . 3 . N . . c25673_2n4n 1 3 . . 1 1 3 3 ARG C C . . 1 1 4 4 PHE N N . . 1 1 4 4 PHE CA C . . 1 1 4 4 PHE C C . -180.0 -110.0 . . . A . 2 ARG C . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . c25673_2n4n 1 4 . . 1 1 4 4 PHE N N . . 1 1 4 4 PHE CA C . . 1 1 4 4 PHE C C . . 1 1 5 5 TYR N N . 90.0 180.0 . . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . A . 4 TYR N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . c25673_2n4n 1 5 . . 1 1 6 6 GLU C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -180.0 -110.0 . . . A . 5 GLU C . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . c25673_2n4n 1 6 . . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL C C . . 1 1 15 15 ARG N N . 90.0 180.0 . . . A . 15 VAL N . . A . 15 VAL CA . . A . 15 VAL C . . A . 14 ARG N . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . . . . 14 . N . . c25673_2n4n 1 7 . . 1 1 16 16 VAL C C . . 1 1 15 15 ARG N N . . 1 1 15 15 ARG CA C . . 1 1 15 15 ARG C C . -180.0 -110.0 . . . A . 15 VAL C . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG C . . . 15 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . c25673_2n4n 1 8 . . 1 1 15 15 ARG N N . . 1 1 15 15 ARG CA C . . 1 1 15 15 ARG C C . . 1 1 14 14 ILE N N . 90.0 180.0 . . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG C . . A . 13 ILE N . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . . . . 13 . N . . c25673_2n4n 1 9 . . 1 1 15 15 ARG C C . . 1 1 14 14 ILE N N . . 1 1 14 14 ILE CA C . . 1 1 14 14 ILE C C . -180.0 -110.0 . . . A . 14 ARG C . . A . 13 ILE N . . A . 13 ILE CA . . A . 13 ILE C . . . 14 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . c25673_2n4n 1 10 . . 1 1 14 14 ILE N N . . 1 1 14 14 ILE CA C . . 1 1 14 14 ILE C C . . 1 1 13 13 PHE N N . 90.0 180.0 . . . A . 13 ILE N . . A . 13 ILE CA . . A . 13 ILE C . . A . 12 PHE N . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . . . . 12 . N . . c25673_2n4n 1 11 . . 1 1 14 14 ILE C C . . 1 1 13 13 PHE N N . . 1 1 13 13 PHE CA C . . 1 1 13 13 PHE C C . -180.0 -110.0 . . . A . 13 ILE C . . A . 12 PHE N . . A . 12 PHE CA . . A . 12 PHE C . . . 13 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . c25673_2n4n 1 12 . . 1 1 13 13 PHE N N . . 1 1 13 13 PHE CA C . . 1 1 13 13 PHE C C . . 1 1 12 12 LYS N N . 90.0 180.0 . . . A . 12 PHE N . . A . 12 PHE CA . . A . 12 PHE C . . A . 11 LYS N . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . . . . 11 . N . . c25673_2n4n 1 13 . . 1 1 13 13 PHE C C . . 1 1 12 12 LYS N N . . 1 1 12 12 LYS CA C . . 1 1 12 12 LYS C C . -180.0 -110.0 . . . A . 12 PHE C . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . . 12 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . c25673_2n4n 1 14 . . 1 1 12 12 LYS N N . . 1 1 12 12 LYS CA C . . 1 1 12 12 LYS C C . . 1 1 11 11 GLN N N . 90.0 180.0 . . . A . 11 LYS N . . A . 11 LYS CA . . A . 11 LYS C . . A . 10 GLN N . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . . . . 10 . N . . c25673_2n4n 1 15 . . 1 1 12 12 LYS C C . . 1 1 11 11 GLN N N . . 1 1 11 11 GLN CA C . . 1 1 11 11 GLN C C . -180.0 -110.0 . . . A . 11 LYS C . . A . 10 GLN N . . A . 10 GLN CA . . A . 10 GLN C . . . 11 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . c25673_2n4n 1 16 . . 1 1 11 11 GLN N N . . 1 1 11 11 GLN CA C . . 1 1 11 11 GLN C C . . 1 1 10 10 VAL N N . 90.0 180.0 . . . A . 10 GLN N . . A . 10 GLN CA . . A . 10 GLN C . . A . 9 VAL N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 9 . N . . c25673_2n4n 1 17 . . 1 1 19 19 VAL C C . . 1 1 20 20 THR N N . . 1 1 20 20 THR CA C . . 1 1 20 20 THR C C . -180.0 -110.0 . . . A . 18 VAL C . . A . 19 THR N . . A . 19 THR CA . . A . 19 THR C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . c25673_2n4n 1 18 . . 1 1 20 20 THR N N . . 1 1 20 20 THR CA C . . 1 1 20 20 THR C C . . 1 1 21 21 ILE N N . 90.0 180.0 . . . A . 19 THR N . . A . 19 THR CA . . A . 19 THR C . . A . 20 ILE N . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . . . . 20 . N . . c25673_2n4n 1 19 . . 1 1 20 20 THR C C . . 1 1 21 21 ILE N N . . 1 1 21 21 ILE CA C . . 1 1 21 21 ILE C C . -180.0 -110.0 . . . A . 19 THR C . . A . 20 ILE N . . A . 20 ILE CA . . A . 20 ILE C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . c25673_2n4n 1 20 . . 1 1 21 21 ILE N N . . 1 1 21 21 ILE CA C . . 1 1 21 21 ILE C C . . 1 1 22 22 ARG N N . 90.0 180.0 . . . A . 20 ILE N . . A . 20 ILE CA . . A . 20 ILE C . . A . 21 ARG N . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . . . . 21 . N . . c25673_2n4n 1 21 . . 1 1 21 21 ILE C C . . 1 1 22 22 ARG N N . . 1 1 22 22 ARG CA C . . 1 1 22 22 ARG C C . -180.0 -110.0 . . . A . 20 ILE C . . A . 21 ARG N . . A . 21 ARG CA . . A . 21 ARG C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . c25673_2n4n 1 22 . . 1 1 22 22 ARG N N . . 1 1 22 22 ARG CA C . . 1 1 22 22 ARG C C . . 1 1 23 23 GLU N N . 90.0 180.0 . . . A . 21 ARG N . . A . 21 ARG CA . . A . 21 ARG C . . A . 22 GLU N . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . . . . 22 . N . . c25673_2n4n 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; VMK-II-070-3strand peptide, last edited 12/30/2014 VMKung Bottom Strand: ; 1 1 3 16 c25673_2n4n 1 2 'Middle Strand:' 20 1 20 16 c25673_2n4n 1 3 'Top Strand:' 52 1 52 13 c25673_2n4n 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 4 6 1 "Not handling restraint 6, resonance(s) ' .7.NAC' (nmrStar names) not linked" c25673_2n4n 1 2 4 7 1 "Not handling restraint 7, resonance(s) ' .16.CAJ' (nmrStar names) not linked" c25673_2n4n 1 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 c25673_2n4n _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 24-JUN-15 2N4N *TITLE NMR STRUCTURE FOR A 3-STRANDED PARALLEL BETA-SHEET *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED BETA SHEET; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR V.M.KUNG, G.CORNILESCU, S.H.GELLMAN *REVDAT 1 28-OCT-15 2N4N 0' save_