data_c25765_2n6i ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25765_2n6i _Entry.Title ; NMR structure for a 2-stranded parallel beta-sheet ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-20 _Entry.Accession_date 2015-08-20 _Entry.Last_release_date 2015-10-26 _Entry.Original_release_date 2015-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vanessa Kung . M. . c25765_2n6i 2 Gabriel Cornilescu . . . c25765_2n6i 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' . c25765_2n6i stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PEPTIDE . c25765_2n6i stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25765_2n6i stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 121 c25765_2n6i 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 . c25765_2n6i 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' c25765_2n6i PDB 2N6I 'BMRB Entry Tracking System' c25765_2n6i stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25765_2n6i _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. . c25765_2n6i 1 2 Gabriel Cornilescu . . . c25765_2n6i 1 3 Samuel Gellman . H. . c25765_2n6i 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25765_2n6i _Assembly.ID 1 _Assembly.Name '2-stranded parallel beta-sheet' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . c25765_2n6i 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c25765_2n6i _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 ; XQKFIRVXGVTIREKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details (NH2)QKFIRV(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 9 NH2 . c25765_2n6i 1 2 10 GLN . c25765_2n6i 1 3 11 LYS . c25765_2n6i 1 4 12 PHE . c25765_2n6i 1 5 13 ILE . c25765_2n6i 1 6 14 ARG . c25765_2n6i 1 7 15 VAL . c25765_2n6i 1 8 16 4FU . c25765_2n6i 1 9 17 GLY . c25765_2n6i 1 10 18 VAL . c25765_2n6i 1 11 19 THR . c25765_2n6i 1 12 20 ILE . c25765_2n6i 1 13 21 ARG . c25765_2n6i 1 14 22 GLU . c25765_2n6i 1 15 23 LYS . c25765_2n6i 1 16 24 NH2 . c25765_2n6i 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 . NH2 1 1 c25765_2n6i 1 . GLN 2 2 c25765_2n6i 1 . LYS 3 3 c25765_2n6i 1 . PHE 4 4 c25765_2n6i 1 . ILE 5 5 c25765_2n6i 1 . ARG 6 6 c25765_2n6i 1 . VAL 7 7 c25765_2n6i 1 . 4FU 8 8 c25765_2n6i 1 . GLY 9 9 c25765_2n6i 1 . VAL 10 10 c25765_2n6i 1 . THR 11 11 c25765_2n6i 1 . ILE 12 12 c25765_2n6i 1 . ARG 13 13 c25765_2n6i 1 . GLU 14 14 c25765_2n6i 1 . LYS 15 15 c25765_2n6i 1 . NH2 16 16 c25765_2n6i 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 c25765_2n6i _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' . . . . . . . . . . . . . . . . . . . . . . c25765_2n6i 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 c25765_2n6i _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' . . . . . . . . . . . . . . . . c25765_2n6i 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c25765_2n6i _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 c25765_2n6i NH2 N SMILES ACDLabs 10.04 c25765_2n6i NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c25765_2n6i NH2 [NH2] SMILES CACTVS 3.341 c25765_2n6i NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c25765_2n6i NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c25765_2n6i NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25765_2n6i 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 c25765_2n6i NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25765_2n6i 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 . c25765_2n6i NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c25765_2n6i NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c25765_2n6i 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 . c25765_2n6i NH2 2 . SING N HN2 no N 2 . c25765_2n6i NH2 stop_ save_ save_chem_comp_4FU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4FU _Chem_comp.Entry_ID c25765_2n6i _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 c25765_2n6i 4FU C1CCC(C(C1)C(=O)O)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 c25765_2n6i 4FU C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c25765_2n6i 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 c25765_2n6i 4FU OC(=O)[C@@H]1CCCC[C@@H]1C(O)=O SMILES_CANONICAL CACTVS 3.385 c25765_2n6i 4FU OC(=O)[CH]1CCCC[CH]1C(O)=O SMILES CACTVS 3.385 c25765_2n6i 4FU QSAWQNUELGIYBC-OLQVQODUSA-N InChIKey InChI 1.03 c25765_2n6i 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 c25765_2n6i 4FU '(1R,2S)-cyclohexane-1,2-dicarboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c25765_2n6i 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 . c25765_2n6i 4FU O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . 13.887 . -6.289 . -6.203 . -0.035 1.180 -1.223 2 . c25765_2n6i 4FU C8 C8 C8 C8 . C . . R 0 . . . 1 no no . . . . 12.009 . -7.403 . -7.192 . 0.490 0.304 0.900 3 . c25765_2n6i 4FU C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 11.587 . -7.112 . -8.625 . 1.831 -0.390 1.145 4 . c25765_2n6i 4FU C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 10.095 . -7.359 . -8.781 . 2.267 -1.121 -0.126 5 . c25765_2n6i 4FU C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 9.320 . -6.482 . -7.811 . 1.213 -2.165 -0.501 6 . c25765_2n6i 4FU C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 9.740 . -6.810 . -6.387 . -0.128 -1.471 -0.746 7 . c25765_2n6i 4FU C14 C14 C14 C14 . C . . S 0 . . . 1 no no . . . . 11.227 . -6.543 . -6.212 . -0.564 -0.740 0.526 8 . c25765_2n6i 4FU C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 11.513 . -5.057 . -6.440 . -1.885 -0.057 0.285 9 . c25765_2n6i 4FU OAB OAB OAB OAB . O . . N 0 . . . 1 no no . . . . 11.678 . -4.617 . -7.576 . -1.975 1.143 0.400 10 . c25765_2n6i 4FU O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . 14.191 . -7.645 . -7.588 . 1.513 2.306 -0.120 11 . c25765_2n6i 4FU H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 11.815 . -8.463 . -6.971 . 0.179 0.825 1.806 12 . c25765_2n6i 4FU H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 12.140 . -7.771 . -9.310 . 2.582 0.354 1.412 13 . c25765_2n6i 4FU HAI HAI HAI HAI . H . . N 0 . . . 1 no no . . . . 11.811 . -6.062 . -8.866 . 1.726 -1.107 1.959 14 . c25765_2n6i 4FU H112 H112 H112 H112 . H . . N 0 . . . 0 no no . . . . 9.792 . -7.120 . -9.811 . 2.372 -0.403 -0.940 15 . c25765_2n6i 4FU H111 H111 H111 H111 . H . . N 0 . . . 0 no no . . . . 9.877 . -8.416 . -8.571 . 3.222 -1.615 0.048 16 . c25765_2n6i 4FU HAG HAG HAG HAG . H . . N 0 . . . 1 no no . . . . 9.534 . -5.424 . -8.022 . 1.523 -2.686 -1.406 17 . c25765_2n6i 4FU H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 8.242 . -6.669 . -7.928 . 1.108 -2.883 0.313 18 . c25765_2n6i 4FU HAL HAL HAL HAL . H . . N 0 . . . 1 no no . . . . 9.172 . -6.182 . -5.685 . -0.023 -0.754 -1.559 19 . c25765_2n6i 4FU HAK HAK HAK HAK . H . . N 0 . . . 1 no no . . . . 9.533 . -7.870 . -6.181 . -0.879 -2.215 -1.012 20 . c25765_2n6i 4FU H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 11.521 . -6.810 . -5.186 . -0.669 -1.458 1.340 21 . c25765_2n6i 4FU O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 11.568 . -4.418 . -5.632 . -2.962 -0.780 -0.058 22 . c25765_2n6i 4FU H1 H1 H1 H1 . H . . N 0 . . . 1 no yes . . . . 15.068 . -7.360 . -7.362 . 1.574 2.915 -0.868 23 . c25765_2n6i 4FU H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 11.750 . -3.537 . -5.936 . -3.788 -0.298 -0.203 24 . c25765_2n6i 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 . c25765_2n6i 4FU 2 . SING C11 C12 no N 2 . c25765_2n6i 4FU 3 . SING C9 C8 no N 3 . c25765_2n6i 4FU 4 . SING C12 C13 no N 4 . c25765_2n6i 4FU 5 . DOUB OAB C15 no N 5 . c25765_2n6i 4FU 6 . SING C8 C7 no N 6 . c25765_2n6i 4FU 7 . SING C8 C14 no N 7 . c25765_2n6i 4FU 8 . DOUB C7 O7 no N 8 . c25765_2n6i 4FU 9 . SING C15 C14 no N 9 . c25765_2n6i 4FU 10 . SING C13 C14 no N 10 . c25765_2n6i 4FU 11 . SING C7 O1 no N 11 . c25765_2n6i 4FU 12 . SING C8 H8 no N 12 . c25765_2n6i 4FU 13 . SING C9 H9 no N 13 . c25765_2n6i 4FU 14 . SING C9 HAI no N 14 . c25765_2n6i 4FU 15 . SING C11 H112 no N 15 . c25765_2n6i 4FU 16 . SING C11 H111 no N 16 . c25765_2n6i 4FU 17 . SING C12 HAG no N 17 . c25765_2n6i 4FU 18 . SING C12 H12 no N 18 . c25765_2n6i 4FU 19 . SING C13 HAL no N 19 . c25765_2n6i 4FU 20 . SING C13 HAK no N 20 . c25765_2n6i 4FU 21 . SING C14 H14 no N 21 . c25765_2n6i 4FU 22 . SING C15 O2 no N 22 . c25765_2n6i 4FU 23 . SING O1 H1 no N 23 . c25765_2n6i 4FU 24 . SING O2 H2 no N 24 . c25765_2n6i 4FU stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25765_2n6i _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 . . . . c25765_2n6i 1 2 'acetic acid' 'natural abundance' . . . . . . 2.5 . . mM . . . . c25765_2n6i 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 c25765_2n6i _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 c25765_2n6i 1 pressure 1 . atm c25765_2n6i 1 temperature 273 . K c25765_2n6i 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID c25765_2n6i _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c25765_2n6i 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c25765_2n6i 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 c25765_2n6i _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 c25765_2n6i _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 . . . c25765_2n6i 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 c25765_2n6i _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 . . . . . . . . . . . . . . . . c25765_2n6i 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25765_2n6i 1 3 '2D 1H-1H ROESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA_600_MHz . . . . . . . . . . . . . . . . c25765_2n6i 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 c25765_2n6i _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 . . . . . . . . . c25765_2n6i 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 c25765_2n6i _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' . . . c25765_2n6i 1 2 '2D 1H-1H TOCSY' . . . c25765_2n6i 1 3 '2D 1H-1H ROESY' . . . c25765_2n6i 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN H H 1 8.501 . . 1 . . . . 10 GLN HN . c25765_2n6i 1 2 . 1 1 2 2 GLN HA H 1 4.213 . . 1 . . . A 10 GLN HA . c25765_2n6i 1 3 . 1 1 2 2 GLN HB2 H 1 1.982 . . 2 . . . A 10 GLN HB2 . c25765_2n6i 1 4 . 1 1 2 2 GLN HB3 H 1 1.982 . . 2 . . . A 10 GLN HB . c25765_2n6i 1 5 . 1 1 2 2 GLN HG2 H 1 2.375 . . 2 . . . A 10 GLN HG2 . c25765_2n6i 1 6 . 1 1 2 2 GLN HG3 H 1 2.069 . . 2 . . . A 10 GLN HG3 . c25765_2n6i 1 7 . 1 1 2 2 GLN HE21 H 1 6.992 . . 2 . . . A 10 GLN HE21 . c25765_2n6i 1 8 . 1 1 2 2 GLN HE22 H 1 7.673 . . 2 . . . A 10 GLN HE22 . c25765_2n6i 1 9 . 1 1 3 3 LYS H H 1 8.414 . . 1 . . . A 11 LYS H . c25765_2n6i 1 10 . 1 1 3 3 LYS HA H 1 4.317 . . 1 . . . A 11 LYS HA . c25765_2n6i 1 11 . 1 1 3 3 LYS HB2 H 1 1.752 . . 2 . . . A 11 LYS HB2 . c25765_2n6i 1 12 . 1 1 3 3 LYS HB3 H 1 1.752 . . 2 . . . A 11 LYS HB3 . c25765_2n6i 1 13 . 1 1 3 3 LYS HG2 H 1 1.350 . . 2 . . . A 11 LYS HG2 . c25765_2n6i 1 14 . 1 1 3 3 LYS HG3 H 1 1.350 . . 2 . . . A 11 LYS HG3 . c25765_2n6i 1 15 . 1 1 3 3 LYS HD2 H 1 1.659 . . 2 . . . A 11 LYS HD2 . c25765_2n6i 1 16 . 1 1 3 3 LYS HD3 H 1 1.659 . . 2 . . . A 11 LYS HD3 . c25765_2n6i 1 17 . 1 1 3 3 LYS HE2 H 1 2.957 . . 2 . . . A 11 LYS HE2 . c25765_2n6i 1 18 . 1 1 3 3 LYS HE3 H 1 2.957 . . 2 . . . A 11 LYS HE3 . c25765_2n6i 1 19 . 1 1 3 3 LYS HZ1 H 1 7.596 . . 1 . . . A 11 LYS HZ1 . c25765_2n6i 1 20 . 1 1 3 3 LYS HZ2 H 1 7.596 . . 1 . . . A 11 LYS HZ2 . c25765_2n6i 1 21 . 1 1 3 3 LYS HZ3 H 1 7.596 . . 1 . . . A 11 LYS HZ3 . c25765_2n6i 1 22 . 1 1 4 4 PHE H H 1 8.743 . . 1 . . . A 12 PHE H . c25765_2n6i 1 23 . 1 1 4 4 PHE HA H 1 4.656 . . 1 . . . A 12 PHE HA . c25765_2n6i 1 24 . 1 1 4 4 PHE HB2 H 1 3.053 . . 2 . . . A 12 PHE HB2 . c25765_2n6i 1 25 . 1 1 4 4 PHE HB3 H 1 2.970 . . 2 . . . A 12 PHE HB3 . c25765_2n6i 1 26 . 1 1 4 4 PHE HD1 H 1 7.223 . . 3 . . . A 12 PHE HD1 . c25765_2n6i 1 27 . 1 1 4 4 PHE HD2 H 1 7.223 . . 3 . . . A 12 PHE HD2 . c25765_2n6i 1 28 . 1 1 4 4 PHE HE1 H 1 7.801 . . 3 . . . A 12 PHE HE1 . c25765_2n6i 1 29 . 1 1 4 4 PHE HE2 H 1 7.801 . . 3 . . . A 12 PHE HE2 . c25765_2n6i 1 30 . 1 1 4 4 PHE HZ H 1 7.750 . . 1 . . . A 12 PHE HZ . c25765_2n6i 1 31 . 1 1 5 5 ILE H H 1 8.317 . . 1 . . . A 13 ILE H . c25765_2n6i 1 32 . 1 1 5 5 ILE HA H 1 4.308 . . 1 . . . A 13 ILE HA . c25765_2n6i 1 33 . 1 1 5 5 ILE HB H 1 1.761 . . 1 . . . A 13 ILE HB . c25765_2n6i 1 34 . 1 1 5 5 ILE HG12 H 1 1.417 . . 2 . . . A 13 ILE HG12 . c25765_2n6i 1 35 . 1 1 5 5 ILE HG13 H 1 0.812 . . 2 . . . A 13 ILE HG13 . c25765_2n6i 1 36 . 1 1 5 5 ILE HD11 H 1 1.115 . . 1 . . . A 13 ILE HD11 . c25765_2n6i 1 37 . 1 1 5 5 ILE HD12 H 1 1.115 . . 1 . . . A 13 ILE HD12 . c25765_2n6i 1 38 . 1 1 5 5 ILE HD13 H 1 1.115 . . 1 . . . A 13 ILE HD13 . c25765_2n6i 1 39 . 1 1 6 6 ARG H H 1 8.500 . . 1 . . . A 14 ARG H . c25765_2n6i 1 40 . 1 1 6 6 ARG HA H 1 4.375 . . 1 . . . A 14 ARG HA . c25765_2n6i 1 41 . 1 1 6 6 ARG HB2 H 1 1.733 . . 2 . . . A 14 ARG HB2 . c25765_2n6i 1 42 . 1 1 6 6 ARG HB3 H 1 1.733 . . 2 . . . A 14 ARG HB3 . c25765_2n6i 1 43 . 1 1 6 6 ARG HG2 H 1 1.556 . . 2 . . . A 14 ARG HG2 . c25765_2n6i 1 44 . 1 1 6 6 ARG HG3 H 1 1.474 . . 2 . . . A 14 ARG HG3 . c25765_2n6i 1 45 . 1 1 6 6 ARG HD2 H 1 3.143 . . 2 . . . A 14 ARG HD2 . c25765_2n6i 1 46 . 1 1 6 6 ARG HD3 H 1 3.143 . . 2 . . . A 14 ARG HD3 . c25765_2n6i 1 47 . 1 1 6 6 ARG HE H 1 7.197 . . 1 . . . A 14 ARG HE . c25765_2n6i 1 48 . 1 1 6 6 ARG HH11 H 1 7.313 . . 1 . . . A 14 ARG HH11 . c25765_2n6i 1 49 . 1 1 6 6 ARG HH12 H 1 7.313 . . 1 . . . A 14 ARG HH12 . c25765_2n6i 1 50 . 1 1 6 6 ARG HH21 H 1 7.313 . . 1 . . . A 14 ARG HH21 . c25765_2n6i 1 51 . 1 1 6 6 ARG HH22 H 1 7.313 . . 1 . . . A 14 ARG HH22 . c25765_2n6i 1 52 . 1 1 7 7 VAL H H 1 7.939 . . 1 . . . A 15 VAL HN . c25765_2n6i 1 53 . 1 1 7 7 VAL HA H 1 4.266 . . 1 . . . A 15 VAL HA . c25765_2n6i 1 54 . 1 1 7 7 VAL HB H 1 2.033 . . 1 . . . A 15 VAL HB . c25765_2n6i 1 55 . 1 1 7 7 VAL HG11 H 1 0.890 . . 1 . . . A 15 VAL HG11 . c25765_2n6i 1 56 . 1 1 7 7 VAL HG12 H 1 0.890 . . 1 . . . A 15 VAL HG12 . c25765_2n6i 1 57 . 1 1 7 7 VAL HG13 H 1 0.890 . . 1 . . . A 15 VAL HG13 . c25765_2n6i 1 58 . 1 1 7 7 VAL HG21 H 1 0.890 . . 1 . . . A 15 VAL HG21 . c25765_2n6i 1 59 . 1 1 7 7 VAL HG22 H 1 0.890 . . 1 . . . A 15 VAL HG22 . c25765_2n6i 1 60 . 1 1 7 7 VAL HG23 H 1 0.890 . . 1 . . . A 15 VAL HG23 . c25765_2n6i 1 61 . 1 1 8 8 4FU H14 H 1 2.991 . . 1 . . . A 16 4FU H14 . c25765_2n6i 1 62 . 1 1 8 8 4FU H8 H 1 2.694 . . 1 . . . A 16 4FU H8 . c25765_2n6i 1 63 . 1 1 8 8 4FU HAI H 1 2.030 . . 1 . . . A 16 4FU HAI . c25765_2n6i 1 64 . 1 1 8 8 4FU HAK H 1 1.754 . . 1 . . . A 16 4FU HAK . c25765_2n6i 1 65 . 1 1 9 9 GLY H H 1 8.202 . . 1 . . . A 17 GLY H1 . c25765_2n6i 1 66 . 1 1 9 9 GLY HA2 H 1 3.989 . . 2 . . . A 17 GLY HA2 . c25765_2n6i 1 67 . 1 1 9 9 GLY HA3 H 1 3.847 . . 2 . . . A 17 GLY HA3 . c25765_2n6i 1 68 . 1 1 10 10 VAL H H 1 8.109 . . 1 . . . A 18 VAL H . c25765_2n6i 1 69 . 1 1 10 10 VAL HA H 1 4.192 . . 1 . . . A 18 VAL HA . c25765_2n6i 1 70 . 1 1 10 10 VAL HB H 1 2.145 . . 1 . . . A 18 VAL HB . c25765_2n6i 1 71 . 1 1 10 10 VAL HG11 H 1 0.952 . . 1 . . . A 18 VAL HG11 . c25765_2n6i 1 72 . 1 1 10 10 VAL HG12 H 1 0.952 . . 1 . . . A 18 VAL HG12 . c25765_2n6i 1 73 . 1 1 10 10 VAL HG13 H 1 0.952 . . 1 . . . A 18 VAL HG13 . c25765_2n6i 1 74 . 1 1 10 10 VAL HG21 H 1 0.952 . . 1 . . . A 18 VAL HG21 . c25765_2n6i 1 75 . 1 1 10 10 VAL HG22 H 1 0.952 . . 1 . . . A 18 VAL HG22 . c25765_2n6i 1 76 . 1 1 10 10 VAL HG23 H 1 0.952 . . 1 . . . A 18 VAL HG23 . c25765_2n6i 1 77 . 1 1 11 11 THR H H 1 8.598 . . 1 . . . A 19 THR H . c25765_2n6i 1 78 . 1 1 11 11 THR HA H 1 4.582 . . 1 . . . A 19 THR HA . c25765_2n6i 1 79 . 1 1 11 11 THR HB H 1 4.067 . . 1 . . . A 19 THR HB . c25765_2n6i 1 80 . 1 1 11 11 THR HG21 H 1 1.165 . . 1 . . . A 19 THR HG21 . c25765_2n6i 1 81 . 1 1 11 11 THR HG22 H 1 1.165 . . 1 . . . A 19 THR HG22 . c25765_2n6i 1 82 . 1 1 11 11 THR HG23 H 1 1.165 . . 1 . . . A 19 THR HG23 . c25765_2n6i 1 83 . 1 1 12 12 ILE H H 1 8.663 . . 1 . . . A 20 ILE H . c25765_2n6i 1 84 . 1 1 12 12 ILE HA H 1 4.211 . . 1 . . . A 20 ILE HA . c25765_2n6i 1 85 . 1 1 12 12 ILE HB H 1 1.840 . . 1 . . . A 20 ILE HB . c25765_2n6i 1 86 . 1 1 12 12 ILE HG12 H 1 1.470 . . 2 . . . A 20 ILE HG12 . c25765_2n6i 1 87 . 1 1 12 12 ILE HG13 H 1 1.432 . . 2 . . . A 20 ILE HG13 . c25765_2n6i 1 88 . 1 1 12 12 ILE HG21 H 1 0.886 . . 1 . . . A 20 ILE HG21 . c25765_2n6i 1 89 . 1 1 12 12 ILE HG22 H 1 0.886 . . 1 . . . A 20 ILE HG22 . c25765_2n6i 1 90 . 1 1 12 12 ILE HG23 H 1 0.886 . . 1 . . . A 20 ILE HG23 . c25765_2n6i 1 91 . 1 1 12 12 ILE HD11 H 1 1.151 . . 1 . . . A 20 ILE HD11 . c25765_2n6i 1 92 . 1 1 12 12 ILE HD12 H 1 1.151 . . 1 . . . A 20 ILE HD12 . c25765_2n6i 1 93 . 1 1 12 12 ILE HD13 H 1 1.151 . . 1 . . . A 20 ILE HD13 . c25765_2n6i 1 94 . 1 1 13 13 ARG H H 1 8.640 . . 1 . . . A 21 ARG H . c25765_2n6i 1 95 . 1 1 13 13 ARG HA H 1 4.498 . . 1 . . . A 21 ARG HA . c25765_2n6i 1 96 . 1 1 13 13 ARG HB2 H 1 1.796 . . 2 . . . A 21 ARG HB2 . c25765_2n6i 1 97 . 1 1 13 13 ARG HB3 H 1 1.734 . . 2 . . . A 21 ARG HB3 . c25765_2n6i 1 98 . 1 1 13 13 ARG HG2 H 1 1.616 . . 2 . . . A 21 ARG HG2 . c25765_2n6i 1 99 . 1 1 13 13 ARG HG3 H 1 1.571 . . 2 . . . A 21 ARG HG3 . c25765_2n6i 1 100 . 1 1 13 13 ARG HD2 H 1 3.163 . . 2 . . . A 21 ARG HD2 . c25765_2n6i 1 101 . 1 1 13 13 ARG HD3 H 1 3.163 . . 2 . . . A 21 ARG HD3 . c25765_2n6i 1 102 . 1 1 13 13 ARG HE H 1 7.232 . . 1 . . . A 21 ARG HE . c25765_2n6i 1 103 . 1 1 14 14 GLU H H 1 8.599 . . 1 . . . A 22 GLU H . c25765_2n6i 1 104 . 1 1 14 14 GLU HA H 1 4.377 . . 1 . . . A 22 GLU HA . c25765_2n6i 1 105 . 1 1 14 14 GLU HB2 H 1 1.955 . . 2 . . . A 22 GLU HB2 . c25765_2n6i 1 106 . 1 1 14 14 GLU HB3 H 1 1.955 . . 2 . . . A 22 GLU HB3 . c25765_2n6i 1 107 . 1 1 14 14 GLU HG2 H 1 2.402 . . 2 . . . A 22 GLU HG2 . c25765_2n6i 1 108 . 1 1 14 14 GLU HG3 H 1 2.096 . . 2 . . . A 22 GLU HG3 . c25765_2n6i 1 109 . 1 1 15 15 LYS H H 1 8.615 . . 1 . . . A 23 LYS HN . c25765_2n6i 1 110 . 1 1 15 15 LYS HA H 1 4.239 . . 1 . . . A 23 LYS HA . c25765_2n6i 1 111 . 1 1 15 15 LYS HB2 H 1 1.822 . . 2 . . . A 23 LYS HB2 . c25765_2n6i 1 112 . 1 1 15 15 LYS HB3 H 1 1.822 . . 2 . . . A 23 LYS HB . c25765_2n6i 1 113 . 1 1 15 15 LYS HG2 H 1 1.460 . . 2 . . . A 23 LYS HG2 . c25765_2n6i 1 114 . 1 1 15 15 LYS HG3 H 1 1.460 . . 2 . . . A 23 LYS HG . c25765_2n6i 1 115 . 1 1 15 15 LYS HD2 H 1 1.692 . . 2 . . . A 23 LYS HD2 . c25765_2n6i 1 116 . 1 1 15 15 LYS HD3 H 1 1.692 . . 2 . . . A 23 LYS HD . c25765_2n6i 1 117 . 1 1 15 15 LYS HE2 H 1 2.986 . . 2 . . . A 23 LYS HE2 . c25765_2n6i 1 118 . 1 1 15 15 LYS HE3 H 1 2.986 . . 2 . . . A 23 LYS HE . c25765_2n6i 1 119 . 1 1 15 15 LYS HZ1 H 1 7.624 . . 1 . . . A 23 LYS HZ1 . c25765_2n6i 1 120 . 1 1 15 15 LYS HZ2 H 1 7.624 . . 1 . . . A 23 LYS HZ2 . c25765_2n6i 1 121 . 1 1 15 15 LYS HZ3 H 1 7.624 . . 1 . . . A 23 LYS HZ3 . c25765_2n6i 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 c25765_2n6i _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 c25765_2n6i _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 . . . c25765_2n6i 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 . . . . c25765_2n6i 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 NH2 HN1 H 19.240 -8.856 -1.452 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 1 . 2 . 1 1 1 NH2 HN2 H 17.914 -9.913 -1.374 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 1 . 3 . 1 1 1 NH2 N N 18.272 -9.005 -1.471 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 1 . 4 . 1 1 2 GLN C C 17.459 -7.997 -1.624 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 1 . 5 . 1 1 2 GLN CA C 18.028 -6.587 -1.769 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 1 . 6 . 1 1 2 GLN CB C 18.568 -6.056 -0.430 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 1 . 7 . 1 1 2 GLN CD C 16.621 -7.055 0.818 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 1 . 8 . 1 1 2 GLN CG C 17.405 -5.783 0.537 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 1 . 9 . 1 1 2 GLN H H 16.094 -5.737 -1.911 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 1 . 10 . 1 1 2 GLN HA H 18.846 -6.625 -2.477 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 1 . 11 . 1 1 2 GLN HB2 H 19.230 -6.792 0.006 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 12 . 1 1 2 GLN HB3 H 19.113 -5.139 -0.598 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 13 . 1 1 2 GLN HE21 H 14.940 -6.348 0.044 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 1 . 14 . 1 1 2 GLN HE22 H 14.852 -7.930 0.640 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 1 . 15 . 1 1 2 GLN HG2 H 17.800 -5.398 1.465 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 1 . 16 . 1 1 2 GLN HG3 H 16.743 -5.045 0.101 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 1 . 17 . 1 1 2 GLN N N 17.017 -5.661 -2.264 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 1 . 18 . 1 1 2 GLN NE2 N 15.366 -7.116 0.475 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 1 . 19 . 1 1 2 GLN O O 16.242 -8.185 -1.649 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 1 . 20 . 1 1 2 GLN OE1 O 17.172 -8.028 1.333 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 1 . 21 . 1 1 3 LYS C C 17.310 -4.704 -3.152 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 1 . 22 . 1 1 3 LYS CA C 16.152 -3.796 -3.560 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 1 . 23 . 1 1 3 LYS CB C 15.748 -4.066 -5.015 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 1 . 24 . 1 1 3 LYS CD C 16.486 -3.819 -7.444 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 1 . 25 . 1 1 3 LYS CE C 16.180 -5.288 -7.776 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 1 . 26 . 1 1 3 LYS CG C 16.881 -3.635 -5.963 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 1 . 27 . 1 1 3 LYS H H 15.890 -1.708 -3.841 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 1 . 28 . 1 1 3 LYS HA H 15.306 -4.036 -2.933 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 1 . 29 . 1 1 3 LYS HB2 H 15.562 -5.119 -5.122 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 30 . 1 1 3 LYS HB3 H 14.850 -3.514 -5.250 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 31 . 1 1 3 LYS HD2 H 15.610 -3.224 -7.651 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 1 . 32 . 1 1 3 LYS HD3 H 17.298 -3.478 -8.069 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 1 . 33 . 1 1 3 LYS HE2 H 15.327 -5.632 -7.219 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 1 . 34 . 1 1 3 LYS HE3 H 15.959 -5.367 -8.831 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 1 . 35 . 1 1 3 LYS HG2 H 17.110 -2.596 -5.789 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 1 . 36 . 1 1 3 LYS HG3 H 17.757 -4.227 -5.762 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 1 . 37 . 1 1 3 LYS HZ1 H 17.397 -6.332 -6.449 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 1 . 38 . 1 1 3 LYS HZ2 H 18.235 -5.623 -7.746 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 1 . 39 . 1 1 3 LYS HZ3 H 17.308 -7.025 -7.994 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 1 . 40 . 1 1 3 LYS N N 16.454 -2.366 -3.386 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 1 . 41 . 1 1 3 LYS NZ N 17.370 -6.130 -7.469 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 1 . 42 . 1 1 3 LYS O O 18.443 -4.536 -3.602 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 1 . 43 . 1 1 4 PHE C C 17.452 -1.915 -2.626 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 1 . 44 . 1 1 4 PHE CA C 17.576 -0.396 -2.564 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 1 . 45 . 1 1 4 PHE CB C 17.893 0.001 -1.112 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 1 . 46 . 1 1 4 PHE CD1 C 15.517 -0.872 -0.614 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 1 . 47 . 1 1 4 PHE CD2 C 16.951 -0.225 1.231 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 1 . 48 . 1 1 4 PHE CE1 C 14.517 -1.189 0.279 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 1 . 49 . 1 1 4 PHE CE2 C 15.924 -0.563 2.131 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 1 . 50 . 1 1 4 PHE CG C 16.760 -0.386 -0.153 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 1 . 51 . 1 1 4 PHE CZ C 14.701 -1.047 1.647 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 1 . 52 . 1 1 4 PHE H H 15.596 -0.363 -3.290 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 1 . 53 . 1 1 4 PHE HA H 18.381 -0.087 -3.202 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 1 . 54 . 1 1 4 PHE HB2 H 18.800 -0.496 -0.802 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 55 . 1 1 4 PHE HB3 H 18.044 1.069 -1.067 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 56 . 1 1 4 PHE HD1 H 15.317 -1.009 -1.649 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 1 . 57 . 1 1 4 PHE HD2 H 17.894 0.146 1.604 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 1 . 58 . 1 1 4 PHE HE1 H 13.587 -1.543 -0.098 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 1 . 59 . 1 1 4 PHE HE2 H 16.075 -0.443 3.192 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 1 . 60 . 1 1 4 PHE HZ H 13.900 -1.328 2.331 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 1 . 61 . 1 1 4 PHE N N 16.338 0.222 -3.026 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 1 . 62 . 1 1 4 PHE O O 18.220 -2.637 -1.990 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 1 . 63 . 1 1 5 ILE C C 16.157 1.531 -3.082 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 1 . 64 . 1 1 5 ILE CA C 14.775 1.960 -3.569 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 1 . 65 . 1 1 5 ILE CB C 14.724 1.869 -5.105 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 1 . 66 . 1 1 5 ILE CD1 C 15.470 4.302 -5.459 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 1 . 67 . 1 1 5 ILE CG1 C 15.744 2.819 -5.771 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 1 . 68 . 1 1 5 ILE CG2 C 13.312 2.203 -5.594 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 1 . 69 . 1 1 5 ILE H H 15.042 4.041 -3.308 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 1 . 70 . 1 1 5 ILE HA H 14.054 1.260 -3.170 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 1 . 71 . 1 1 5 ILE HB H 14.955 0.851 -5.394 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 1 . 72 . 1 1 5 ILE HD11 H 15.667 4.887 -6.346 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 1 . 73 . 1 1 5 ILE HD12 H 16.127 4.632 -4.670 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 1 . 74 . 1 1 5 ILE HD13 H 14.442 4.445 -5.164 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 1 . 75 . 1 1 5 ILE HG12 H 16.731 2.567 -5.416 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 1 . 76 . 1 1 5 ILE HG13 H 15.710 2.671 -6.840 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 1 . 77 . 1 1 5 ILE HG21 H 13.257 2.063 -6.665 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 1 . 78 . 1 1 5 ILE HG22 H 13.081 3.231 -5.356 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 1 . 79 . 1 1 5 ILE HG23 H 12.598 1.553 -5.110 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 1 . 80 . 1 1 5 ILE N N 14.449 3.301 -3.087 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 1 . 81 . 1 1 5 ILE O O 17.010 2.355 -2.753 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 1 . 82 . 1 1 6 ARG C C 13.373 3.547 -2.333 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 1 . 83 . 1 1 6 ARG CA C 13.199 5.004 -1.915 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 1 . 84 . 1 1 6 ARG CB C 14.278 5.353 -0.879 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 1 . 85 . 1 1 6 ARG CD C 14.331 7.817 -1.534 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 1 . 86 . 1 1 6 ARG CG C 14.154 6.809 -0.386 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 1 . 87 . 1 1 6 ARG CZ C 16.771 7.827 -1.561 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 1 . 88 . 1 1 6 ARG H H 11.666 4.873 -0.461 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 1 . 89 . 1 1 6 ARG HA H 13.332 5.616 -2.784 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 1 . 90 . 1 1 6 ARG HB2 H 14.183 4.689 -0.036 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 91 . 1 1 6 ARG HB3 H 15.251 5.215 -1.328 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 92 . 1 1 6 ARG HD2 H 13.534 7.714 -2.248 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 1 . 93 . 1 1 6 ARG HD3 H 14.297 8.816 -1.124 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 1 . 94 . 1 1 6 ARG HE H 15.636 7.316 -3.127 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 1 . 95 . 1 1 6 ARG HG2 H 13.178 6.949 0.054 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 1 . 96 . 1 1 6 ARG HG3 H 14.905 6.990 0.368 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 1 . 97 . 1 1 6 ARG HH11 H 15.914 8.466 0.131 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 1 . 98 . 1 1 6 ARG HH12 H 17.645 8.426 0.138 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 1 . 99 . 1 1 6 ARG HH21 H 17.900 7.266 -3.117 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 1 . 100 . 1 1 6 ARG HH22 H 18.767 7.750 -1.698 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 1 . 101 . 1 1 6 ARG N N 11.871 5.228 -1.346 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 1 . 102 . 1 1 6 ARG NE N 15.620 7.623 -2.198 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 1 . 103 . 1 1 6 ARG NH1 N 16.777 8.275 -0.335 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 1 . 104 . 1 1 6 ARG NH2 N 17.900 7.596 -2.172 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 1 . 105 . 1 1 6 ARG O O 12.572 2.671 -1.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 1 . 106 . 1 1 7 VAL C C 10.938 5.913 -2.009 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 1 . 107 . 1 1 7 VAL CA C 9.594 6.090 -1.309 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 1 . 108 . 1 1 7 VAL CB C 8.540 5.222 -2.001 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 1 . 109 . 1 1 7 VAL CG1 C 7.200 5.380 -1.282 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 1 . 110 . 1 1 7 VAL CG2 C 8.390 5.667 -3.459 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 1 . 111 . 1 1 7 VAL H H 8.940 7.891 -2.223 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 1 . 112 . 1 1 7 VAL HA H 9.691 5.767 -0.280 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 1 . 113 . 1 1 7 VAL HB H 8.847 4.187 -1.967 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 1 . 114 . 1 1 7 VAL HG11 H 6.457 4.763 -1.764 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 1 . 115 . 1 1 7 VAL HG12 H 6.888 6.414 -1.321 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 1 . 116 . 1 1 7 VAL HG13 H 7.306 5.076 -0.251 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 1 . 117 . 1 1 7 VAL HG21 H 9.239 5.324 -4.030 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 1 . 118 . 1 1 7 VAL HG22 H 8.337 6.745 -3.504 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 1 . 119 . 1 1 7 VAL HG23 H 7.484 5.246 -3.872 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 1 . 120 . 1 1 7 VAL N N 9.182 7.500 -1.358 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 1 . 121 . 1 1 7 VAL O O 11.131 6.395 -3.126 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 1 . 122 . 1 1 8 . C11 C 8.550 12.486 0.384 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 1 . 123 . 1 1 8 . C12 C 7.344 11.564 0.479 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 1 . 124 . 1 1 8 . C13 C 7.807 10.132 0.690 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 1 . 125 . 1 1 8 . C14 C 8.688 9.706 -0.475 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 1 . 126 . 1 1 8 . C15 C 9.130 8.253 -0.286 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 1 . 127 . 1 1 8 . C7 C 10.731 10.517 0.730 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 1 . 128 . 1 1 8 . C8 C 9.907 10.613 -0.556 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 1 . 129 . 1 1 8 . C9 C 9.445 12.046 -0.765 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 1 . 130 . 1 1 8 . H111 H 9.112 12.452 1.316 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 1 . 131 . 1 1 8 . H112 H 8.209 13.507 0.206 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 1 . 132 . 1 1 8 . H12 H 6.774 11.632 -0.447 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 1 . 133 . 1 1 8 . H14 H 8.116 9.785 -1.399 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 1 . 134 . 1 1 8 . H8 H 10.527 10.313 -1.400 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 1 . 135 . 1 1 8 . H9 H 10.318 12.697 -0.819 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 1 . 136 . 1 1 8 . HAG H 6.714 11.869 1.315 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 1 . 137 . 1 1 8 . HAI H 8.887 12.116 -1.698 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 1 . 138 . 1 1 8 . HAK H 8.373 10.060 1.619 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 1 . 139 . 1 1 8 . HAL H 6.934 9.482 0.746 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 1 . 140 . 1 1 8 . O1 O 10.928 11.517 1.420 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 1 . 141 . 1 1 8 . OAB O 9.420 7.830 0.832 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 1 . 142 . 1 1 9 GLY C C 12.108 7.694 2.652 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 1 . 143 . 1 1 9 GLY CA C 12.031 9.166 2.258 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 1 . 144 . 1 1 9 GLY H H 11.056 8.579 0.470 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 1 . 145 . 1 1 9 GLY HA2 H 13.029 9.538 2.076 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 1 . 146 . 1 1 9 GLY HA3 H 11.590 9.724 3.075 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 1 . 147 . 1 1 9 GLY N N 11.224 9.349 1.052 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 1 . 148 . 1 1 9 GLY O O 13.184 7.095 2.643 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 1 . 149 . 1 1 10 VAL C C 11.376 4.814 2.255 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 1 . 150 . 1 1 10 VAL CA C 10.910 5.715 3.402 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 1 . 151 . 1 1 10 VAL CB C 9.480 5.352 3.843 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 1 . 152 . 1 1 10 VAL CG1 C 8.491 5.569 2.693 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 1 . 153 . 1 1 10 VAL CG2 C 9.423 3.887 4.302 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 1 . 154 . 1 1 10 VAL H H 10.136 7.646 2.992 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 1 . 155 . 1 1 10 VAL HA H 11.575 5.572 4.240 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 1 . 156 . 1 1 10 VAL HB H 9.199 5.991 4.669 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 1 . 157 . 1 1 10 VAL HG11 H 8.380 6.626 2.510 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 1 . 158 . 1 1 10 VAL HG12 H 7.533 5.149 2.962 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 1 . 159 . 1 1 10 VAL HG13 H 8.855 5.083 1.800 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 1 . 160 . 1 1 10 VAL HG21 H 9.338 3.237 3.443 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 1 . 161 . 1 1 10 VAL HG22 H 8.564 3.747 4.940 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 1 . 162 . 1 1 10 VAL HG23 H 10.320 3.644 4.853 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 1 . 163 . 1 1 10 VAL N N 10.962 7.118 3.001 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 1 . 164 . 1 1 10 VAL O O 11.606 5.284 1.142 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 1 . 165 . 1 1 11 THR C C 11.140 1.272 1.651 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 1 . 166 . 1 1 11 THR CA C 11.966 2.549 1.538 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 1 . 167 . 1 1 11 THR CB C 13.449 2.224 1.756 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 1 . 168 . 1 1 11 THR CG2 C 13.654 1.625 3.151 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 1 . 169 . 1 1 11 THR H H 11.325 3.210 3.447 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 1 . 170 . 1 1 11 THR HA H 11.839 2.963 0.547 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 1 . 171 . 1 1 11 THR HB H 14.030 3.128 1.674 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 1 . 172 . 1 1 11 THR HG1 H 13.420 1.501 -0.048 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 1 . 173 . 1 1 11 THR HG21 H 13.286 2.313 3.897 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 1 . 174 . 1 1 11 THR HG22 H 14.706 1.450 3.313 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 1 . 175 . 1 1 11 THR HG23 H 13.118 0.690 3.227 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 1 . 176 . 1 1 11 THR N N 11.519 3.521 2.540 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 1 . 177 . 1 1 11 THR O O 10.521 1.024 2.686 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 1 . 178 . 1 1 11 THR OG1 O 13.878 1.296 0.771 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 1 . 179 . 1 1 12 ILE C C 11.087 -1.939 -0.045 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 1 . 180 . 1 1 12 ILE CA C 10.335 -0.789 0.615 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 1 . 181 . 1 1 12 ILE CB C 8.985 -0.574 -0.083 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 1 . 182 . 1 1 12 ILE CD1 C 7.892 -2.300 1.401 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 1 . 183 . 1 1 12 ILE CG1 C 8.151 -1.868 -0.049 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 1 . 184 . 1 1 12 ILE CG2 C 9.225 -0.171 -1.539 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 1 . 185 . 1 1 12 ILE H H 11.629 0.705 -0.221 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 1 . 186 . 1 1 12 ILE HA H 10.157 -1.060 1.645 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 1 . 187 . 1 1 12 ILE HB H 8.446 0.216 0.422 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 1 . 188 . 1 1 12 ILE HD11 H 6.987 -2.889 1.442 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 1 . 189 . 1 1 12 ILE HD12 H 7.780 -1.428 2.029 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 1 . 190 . 1 1 12 ILE HD13 H 8.722 -2.894 1.753 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 1 . 191 . 1 1 12 ILE HG12 H 7.205 -1.691 -0.540 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 1 . 192 . 1 1 12 ILE HG13 H 8.676 -2.654 -0.568 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 1 . 193 . 1 1 12 ILE HG21 H 9.569 -1.029 -2.099 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 1 . 194 . 1 1 12 ILE HG22 H 9.974 0.607 -1.578 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 1 . 195 . 1 1 12 ILE HG23 H 8.304 0.196 -1.968 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 1 . 196 . 1 1 12 ILE N N 11.119 0.461 0.586 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 1 . 197 . 1 1 12 ILE O O 11.585 -1.819 -1.165 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 1 . 198 . 1 1 13 ARG C C 11.069 -5.529 0.489 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 1 . 199 . 1 1 13 ARG CA C 11.865 -4.259 0.223 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 1 . 200 . 1 1 13 ARG CB C 13.217 -4.349 0.949 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 1 . 201 . 1 1 13 ARG CD C 14.309 -4.267 3.225 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 1 . 202 . 1 1 13 ARG CG C 12.979 -4.284 2.457 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 1 . 203 . 1 1 13 ARG CZ C 16.293 -5.603 3.575 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 1 . 204 . 1 1 13 ARG H H 10.740 -3.068 1.566 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 1 . 205 . 1 1 13 ARG HA H 12.051 -4.183 -0.839 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 1 . 206 . 1 1 13 ARG HB2 H 13.680 -5.293 0.707 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 207 . 1 1 13 ARG HB3 H 13.861 -3.564 0.650 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 208 . 1 1 13 ARG HD2 H 14.868 -3.391 2.935 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 1 . 209 . 1 1 13 ARG HD3 H 14.099 -4.210 4.283 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 1 . 210 . 1 1 13 ARG HE H 14.801 -6.136 2.338 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 1 . 211 . 1 1 13 ARG HG2 H 12.433 -3.382 2.688 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 1 . 212 . 1 1 13 ARG HG3 H 12.395 -5.134 2.764 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 1 . 213 . 1 1 13 ARG HH11 H 16.217 -3.820 4.481 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 1 . 214 . 1 1 13 ARG HH12 H 17.628 -4.768 4.812 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 1 . 215 . 1 1 13 ARG HH21 H 16.642 -7.422 2.819 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 1 . 216 . 1 1 13 ARG HH22 H 17.869 -6.802 3.869 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 1 . 217 . 1 1 13 ARG N N 11.162 -3.055 0.682 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 1 . 218 . 1 1 13 ARG NE N 15.123 -5.447 2.961 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 1 . 219 . 1 1 13 ARG NH1 N 16.749 -4.656 4.351 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 1 . 220 . 1 1 13 ARG NH2 N 16.989 -6.694 3.408 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 1 . 221 . 1 1 13 ARG O O 10.439 -5.682 1.535 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 1 . 222 . 1 1 14 GLU C C 11.066 -8.470 0.844 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 1 . 223 . 1 1 14 GLU CA C 10.475 -7.730 -0.345 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 1 . 224 . 1 1 14 GLU CB C 10.671 -8.551 -1.629 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 1 . 225 . 1 1 14 GLU CD C 8.465 -9.700 -1.283 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 1 . 226 . 1 1 14 GLU CG C 9.960 -9.905 -1.508 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 1 . 227 . 1 1 14 GLU H H 11.683 -6.270 -1.260 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 1 . 228 . 1 1 14 GLU HA H 9.422 -7.565 -0.177 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 1 . 229 . 1 1 14 GLU HB2 H 10.267 -8.007 -2.472 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 230 . 1 1 14 GLU HB3 H 11.727 -8.719 -1.787 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 231 . 1 1 14 GLU HG2 H 10.108 -10.467 -2.419 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 1 . 232 . 1 1 14 GLU HG3 H 10.373 -10.456 -0.677 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 1 . 233 . 1 1 14 GLU N N 11.143 -6.450 -0.466 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 1 . 234 . 1 1 14 GLU O O 10.370 -9.176 1.574 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 1 . 235 . 1 1 14 GLU OE1 O 7.836 -9.086 -2.130 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 1 . 236 . 1 1 14 GLU OE2 O 7.971 -10.159 -0.268 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 1 . 237 . 1 1 15 LYS C C 12.580 -10.301 2.423 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 1 . 238 . 1 1 15 LYS CA C 13.120 -8.909 2.106 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 1 . 239 . 1 1 15 LYS CB C 13.085 -8.048 3.364 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 1 . 240 . 1 1 15 LYS CD C 11.638 -6.997 5.136 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 1 . 241 . 1 1 15 LYS CE C 12.467 -7.626 6.258 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 1 . 242 . 1 1 15 LYS CG C 11.651 -7.884 3.885 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 1 . 243 . 1 1 15 LYS H H 12.853 -7.706 0.401 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 1 . 244 . 1 1 15 LYS HA H 14.149 -8.998 1.804 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 1 . 245 . 1 1 15 LYS HB2 H 13.692 -8.529 4.102 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 1 . 246 . 1 1 15 LYS HB3 H 13.495 -7.074 3.142 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 1 . 247 . 1 1 15 LYS HD2 H 12.049 -6.030 4.891 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 1 . 248 . 1 1 15 LYS HD3 H 10.619 -6.875 5.474 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 1 . 249 . 1 1 15 LYS HE2 H 12.083 -8.605 6.494 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 1 . 250 . 1 1 15 LYS HE3 H 13.496 -7.700 5.960 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 1 . 251 . 1 1 15 LYS HG2 H 11.043 -7.417 3.129 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 1 . 252 . 1 1 15 LYS HG3 H 11.241 -8.852 4.130 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 1 . 253 . 1 1 15 LYS HZ1 H 12.537 -7.324 8.304 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 1 . 254 . 1 1 15 LYS HZ2 H 11.455 -6.302 7.483 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 1 . 255 . 1 1 15 LYS HZ3 H 13.129 -6.029 7.385 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 1 . 256 . 1 1 15 LYS N N 12.373 -8.287 1.022 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 1 . 257 . 1 1 15 LYS NZ N 12.390 -6.755 7.450 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 1 . 258 . 1 1 15 LYS O O 12.043 -10.977 1.545 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 1 . 259 . 1 1 16 NH2 HN1 H 13.120 -10.234 4.332 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 1 . 260 . 1 1 16 NH2 HN2 H 12.347 -11.665 3.846 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 1 . 261 . 1 1 16 NH2 N N 12.691 -10.772 3.633 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 2 . 262 . 1 1 1 NH2 HN1 H 18.174 -4.291 -3.707 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 2 . 263 . 1 1 1 NH2 HN2 H 19.176 -4.806 -4.976 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 2 . 264 . 1 1 1 NH2 N N 18.552 -5.014 -4.251 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 2 . 265 . 1 1 2 GLN C C 18.224 -6.254 -4.008 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 2 . 266 . 1 1 2 GLN CA C 17.248 -6.564 -2.873 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 2 . 267 . 1 1 2 GLN CB C 16.628 -7.949 -3.099 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 2 . 268 . 1 1 2 GLN CD C 14.423 -7.438 -1.943 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 2 . 269 . 1 1 2 GLN CG C 15.689 -8.296 -1.941 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 2 . 270 . 1 1 2 GLN H H 15.853 -5.332 -1.838 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 2 . 271 . 1 1 2 GLN HA H 17.809 -6.598 -1.956 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 2 . 272 . 1 1 2 GLN HB2 H 16.070 -7.945 -4.025 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 273 . 1 1 2 GLN HB3 H 17.413 -8.688 -3.157 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 274 . 1 1 2 GLN HE21 H 14.734 -6.653 -3.733 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 2 . 275 . 1 1 2 GLN HE22 H 13.325 -6.129 -2.941 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 2 . 276 . 1 1 2 GLN HG2 H 15.413 -9.336 -2.004 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 2 . 277 . 1 1 2 GLN HG3 H 16.219 -8.121 -1.016 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 2 . 278 . 1 1 2 GLN N N 16.222 -5.532 -2.741 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 2 . 279 . 1 1 2 GLN NE2 N 14.137 -6.680 -2.957 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 2 . 280 . 1 1 2 GLN O O 18.699 -7.163 -4.689 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 2 . 281 . 1 1 2 GLN OE1 O 13.620 -7.539 -1.025 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 2 . 282 . 1 1 3 LYS C C 15.766 -4.860 -3.806 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 2 . 283 . 1 1 3 LYS CA C 14.695 -3.811 -3.536 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 2 . 284 . 1 1 3 LYS CB C 13.617 -3.899 -4.606 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 2 . 285 . 1 1 3 LYS CD C 11.392 -2.879 -5.340 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 2 . 286 . 1 1 3 LYS CE C 10.668 -4.233 -5.420 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 2 . 287 . 1 1 3 LYS CG C 12.515 -2.885 -4.281 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 2 . 288 . 1 1 3 LYS H H 14.818 -1.784 -2.957 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 2 . 289 . 1 1 3 LYS HA H 14.243 -4.023 -2.579 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 2 . 290 . 1 1 3 LYS HB2 H 14.043 -3.686 -5.577 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 291 . 1 1 3 LYS HB3 H 13.218 -4.888 -4.587 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 292 . 1 1 3 LYS HD2 H 10.676 -2.113 -5.089 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 2 . 293 . 1 1 3 LYS HD3 H 11.823 -2.654 -6.305 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 2 . 294 . 1 1 3 LYS HE2 H 10.303 -4.490 -4.437 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 2 . 295 . 1 1 3 LYS HE3 H 9.834 -4.150 -6.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 2 . 296 . 1 1 3 LYS HG2 H 12.086 -3.130 -3.321 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 2 . 297 . 1 1 3 LYS HG3 H 12.950 -1.897 -4.228 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 2 . 298 . 1 1 3 LYS HZ1 H 12.450 -4.880 -6.279 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 2 . 299 . 1 1 3 LYS HZ2 H 11.113 -5.869 -6.627 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 2 . 300 . 1 1 3 LYS HZ3 H 11.838 -5.923 -5.090 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 2 . 301 . 1 1 3 LYS N N 15.261 -2.466 -3.494 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 2 . 302 . 1 1 3 LYS NZ N 11.585 -5.307 -5.890 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 2 . 303 . 1 1 3 LYS O O 16.164 -5.062 -4.954 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 2 . 304 . 1 1 4 PHE C C 16.361 -2.121 -4.139 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 2 . 305 . 1 1 4 PHE CA C 16.770 -0.690 -3.922 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 2 . 306 . 1 1 4 PHE CB C 17.783 -0.587 -2.773 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 2 . 307 . 1 1 4 PHE CD1 C 16.760 -2.394 -1.302 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 2 . 308 . 1 1 4 PHE CD2 C 16.771 -0.099 -0.515 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 2 . 309 . 1 1 4 PHE CE1 C 16.074 -2.785 -0.149 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 2 . 310 . 1 1 4 PHE CE2 C 16.096 -0.495 0.644 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 2 . 311 . 1 1 4 PHE CG C 17.116 -1.047 -1.487 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 2 . 312 . 1 1 4 PHE CZ C 15.746 -1.833 0.825 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 2 . 313 . 1 1 4 PHE H H 15.348 0.183 -2.634 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 2 . 314 . 1 1 4 PHE HA H 17.208 -0.317 -4.811 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 2 . 315 . 1 1 4 PHE HB2 H 18.634 -1.218 -2.985 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 316 . 1 1 4 PHE HB3 H 18.109 0.437 -2.668 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 317 . 1 1 4 PHE HD1 H 17.037 -3.135 -2.031 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 2 . 318 . 1 1 4 PHE HD2 H 17.042 0.934 -0.652 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 2 . 319 . 1 1 4 PHE HE1 H 15.792 -3.824 -0.015 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 2 . 320 . 1 1 4 PHE HE2 H 15.833 0.235 1.397 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 2 . 321 . 1 1 4 PHE HZ H 15.221 -2.127 1.712 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 2 . 322 . 1 1 4 PHE N N 15.607 0.112 -3.578 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 2 . 323 . 1 1 4 PHE O O 17.027 -2.879 -4.845 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 2 . 324 . 1 1 5 ILE C C 14.884 0.754 -4.487 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 2 . 325 . 1 1 5 ILE CA C 13.713 1.535 -3.899 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 2 . 326 . 1 1 5 ILE CB C 12.516 1.631 -4.868 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 2 . 327 . 1 1 5 ILE CD1 C 11.646 2.538 -7.041 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 2 . 328 . 1 1 5 ILE CG1 C 12.860 2.480 -6.108 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 2 . 329 . 1 1 5 ILE CG2 C 11.333 2.273 -4.136 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 2 . 330 . 1 1 5 ILE H H 14.341 3.532 -4.219 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 2 . 331 . 1 1 5 ILE HA H 13.382 1.009 -3.011 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 2 . 332 . 1 1 5 ILE HB H 12.241 0.630 -5.180 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 2 . 333 . 1 1 5 ILE HD11 H 11.924 3.025 -7.963 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 2 . 334 . 1 1 5 ILE HD12 H 10.852 3.095 -6.566 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 2 . 335 . 1 1 5 ILE HD13 H 11.304 1.535 -7.253 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 2 . 336 . 1 1 5 ILE HG12 H 13.119 3.481 -5.798 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 2 . 337 . 1 1 5 ILE HG13 H 13.685 2.048 -6.640 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 2 . 338 . 1 1 5 ILE HG21 H 11.167 1.761 -3.199 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 2 . 339 . 1 1 5 ILE HG22 H 10.446 2.200 -4.749 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 2 . 340 . 1 1 5 ILE HG23 H 11.552 3.313 -3.943 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 2 . 341 . 1 1 5 ILE N N 14.147 2.876 -3.517 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 2 . 342 . 1 1 5 ILE O O 15.132 0.725 -5.688 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 2 . 343 . 1 1 6 ARG C C 14.300 3.231 -2.243 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 2 . 344 . 1 1 6 ARG CA C 14.777 4.666 -2.018 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 2 . 345 . 1 1 6 ARG CB C 16.104 4.674 -1.245 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 2 . 346 . 1 1 6 ARG CD C 17.464 4.335 -3.357 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 2 . 347 . 1 1 6 ARG CG C 17.173 3.816 -1.945 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 2 . 348 . 1 1 6 ARG CZ C 18.217 6.388 -4.416 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 2 . 349 . 1 1 6 ARG H H 13.011 4.995 -0.926 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 2 . 350 . 1 1 6 ARG HA H 14.924 5.138 -2.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 2 . 351 . 1 1 6 ARG HB2 H 16.463 5.690 -1.170 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 352 . 1 1 6 ARG HB3 H 15.936 4.287 -0.251 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 353 . 1 1 6 ARG HD2 H 18.243 3.732 -3.796 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 2 . 354 . 1 1 6 ARG HD3 H 16.582 4.259 -3.967 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 2 . 355 . 1 1 6 ARG HE H 18.001 6.168 -2.438 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 2 . 356 . 1 1 6 ARG HG2 H 18.083 3.843 -1.365 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 2 . 357 . 1 1 6 ARG HG3 H 16.827 2.798 -2.009 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 2 . 358 . 1 1 6 ARG HH11 H 17.805 4.852 -5.632 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 2 . 359 . 1 1 6 ARG HH12 H 18.337 6.304 -6.413 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 2 . 360 . 1 1 6 ARG HH21 H 18.696 8.078 -3.455 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 2 . 361 . 1 1 6 ARG HH22 H 18.842 8.130 -5.180 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 2 . 362 . 1 1 6 ARG N N 13.787 5.444 -1.303 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 2 . 363 . 1 1 6 ARG NE N 17.918 5.721 -3.305 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 2 . 364 . 1 1 6 ARG NH1 N 18.112 5.803 -5.577 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 2 . 365 . 1 1 6 ARG NH2 N 18.616 7.628 -4.345 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 2 . 366 . 1 1 6 ARG O O 14.100 2.455 -1.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 2 . 367 . 1 1 7 VAL C C 13.929 6.758 -1.159 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 2 . 368 . 1 1 7 VAL CA C 12.832 7.484 -0.390 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 2 . 369 . 1 1 7 VAL CB C 12.605 8.872 -1.007 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 2 . 370 . 1 1 7 VAL CG1 C 13.895 9.724 -0.909 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 2 . 371 . 1 1 7 VAL CG2 C 12.197 8.705 -2.478 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 2 . 372 . 1 1 7 VAL H H 14.085 7.322 1.311 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 2 . 373 . 1 1 7 VAL HA H 11.918 6.915 -0.465 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 2 . 374 . 1 1 7 VAL HB H 11.807 9.367 -0.472 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 2 . 375 . 1 1 7 VAL HG11 H 14.455 9.659 -1.832 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 2 . 376 . 1 1 7 VAL HG12 H 14.512 9.368 -0.096 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 2 . 377 . 1 1 7 VAL HG13 H 13.631 10.756 -0.726 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 2 . 378 . 1 1 7 VAL HG21 H 11.392 7.988 -2.550 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 2 . 379 . 1 1 7 VAL HG22 H 13.044 8.352 -3.048 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 2 . 380 . 1 1 7 VAL HG23 H 11.870 9.656 -2.871 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 2 . 381 . 1 1 7 VAL N N 13.195 7.611 1.018 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 2 . 382 . 1 1 7 VAL O O 14.889 7.376 -1.615 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 2 . 383 . 1 1 8 . C11 C 13.306 11.052 3.613 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 2 . 384 . 1 1 8 . C12 C 14.245 10.168 2.808 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 2 . 385 . 1 1 8 . C13 C 14.247 8.763 3.389 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 2 . 386 . 1 1 8 . C14 C 12.842 8.181 3.347 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 2 . 387 . 1 1 8 . C15 C 12.361 8.098 1.897 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 2 . 388 . 1 1 8 . C7 C 10.487 8.499 4.134 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 2 . 389 . 1 1 8 . C8 C 11.908 9.068 4.157 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 2 . 390 . 1 1 8 . C9 C 11.900 10.472 3.574 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 2 . 391 . 1 1 8 . H111 H 13.289 12.055 3.187 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 2 . 392 . 1 1 8 . H112 H 13.649 11.103 4.646 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 2 . 393 . 1 1 8 . H12 H 15.250 10.586 2.856 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 2 . 394 . 1 1 8 . H14 H 12.856 7.180 3.777 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 2 . 395 . 1 1 8 . H8 H 12.254 9.114 5.190 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 2 . 396 . 1 1 8 . H9 H 11.546 10.430 2.544 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 2 . 397 . 1 1 8 . HAG H 13.914 10.133 1.770 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 2 . 398 . 1 1 8 . HAI H 11.235 11.107 4.160 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 2 . 399 . 1 1 8 . HAK H 14.918 8.128 2.810 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 2 . 400 . 1 1 8 . HAL H 14.593 8.807 4.422 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 2 . 401 . 1 1 8 . O1 O 9.575 9.098 4.701 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 2 . 402 . 1 1 8 . OAB O 11.229 8.473 1.594 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 2 . 403 . 1 1 9 GLY C C 8.903 5.699 2.337 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 2 . 404 . 1 1 9 GLY CA C 8.963 6.762 3.429 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 2 . 405 . 1 1 9 GLY H H 11.044 6.927 3.061 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 2 . 406 . 1 1 9 GLY HA2 H 8.734 6.306 4.382 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 2 . 407 . 1 1 9 GLY HA3 H 8.228 7.526 3.216 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 2 . 408 . 1 1 9 GLY N N 10.288 7.372 3.499 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 2 . 409 . 1 1 9 GLY O O 8.539 4.552 2.596 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 2 . 410 . 1 1 10 VAL C C 10.516 4.343 -0.069 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 2 . 411 . 1 1 10 VAL CA C 9.226 5.156 -0.014 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 2 . 412 . 1 1 10 VAL CB C 9.012 5.929 -1.326 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 2 . 413 . 1 1 10 VAL CG1 C 8.966 4.959 -2.531 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 2 . 414 . 1 1 10 VAL CG2 C 7.691 6.703 -1.226 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 2 . 415 . 1 1 10 VAL H H 9.530 7.016 0.962 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 2 . 416 . 1 1 10 VAL HA H 8.401 4.473 0.122 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 2 . 417 . 1 1 10 VAL HB H 9.825 6.629 -1.460 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 2 . 418 . 1 1 10 VAL HG11 H 8.648 3.978 -2.205 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 2 . 419 . 1 1 10 VAL HG12 H 9.947 4.886 -2.978 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 2 . 420 . 1 1 10 VAL HG13 H 8.272 5.328 -3.275 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 2 . 421 . 1 1 10 VAL HG21 H 7.602 7.374 -2.067 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 2 . 422 . 1 1 10 VAL HG22 H 7.676 7.273 -0.308 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 2 . 423 . 1 1 10 VAL HG23 H 6.866 6.007 -1.231 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 2 . 424 . 1 1 10 VAL N N 9.254 6.088 1.112 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 2 . 425 . 1 1 10 VAL O O 11.000 3.982 -1.139 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 2 . 426 . 1 1 11 THR C C 11.965 1.980 2.019 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 2 . 427 . 1 1 11 THR CA C 12.274 3.236 1.225 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 2 . 428 . 1 1 11 THR CB C 13.370 4.043 1.927 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 2 . 429 . 1 1 11 THR CG2 C 14.637 3.196 2.044 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 2 . 430 . 1 1 11 THR H H 10.599 4.339 1.923 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 2 . 431 . 1 1 11 THR HA H 12.613 2.954 0.247 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 2 . 432 . 1 1 11 THR HB H 13.035 4.321 2.915 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 2 . 433 . 1 1 11 THR HG1 H 14.501 5.552 1.453 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 2 . 434 . 1 1 11 THR HG21 H 15.472 3.832 2.306 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 2 . 435 . 1 1 11 THR HG22 H 14.837 2.713 1.100 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 2 . 436 . 1 1 11 THR HG23 H 14.501 2.448 2.810 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 2 . 437 . 1 1 11 THR N N 11.050 4.036 1.109 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 2 . 438 . 1 1 11 THR O O 11.367 2.070 3.092 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 2 . 439 . 1 1 11 THR OG1 O 13.648 5.215 1.173 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 2 . 440 . 1 1 12 ILE C C 12.706 -1.677 1.762 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 2 . 441 . 1 1 12 ILE CA C 11.992 -0.416 2.259 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 2 . 442 . 1 1 12 ILE CB C 10.469 -0.615 2.172 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 2 . 443 . 1 1 12 ILE CD1 C 10.326 -1.594 4.494 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 2 . 444 . 1 1 12 ILE CG1 C 10.004 -1.819 3.010 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 2 . 445 . 1 1 12 ILE CG2 C 10.080 -0.852 0.713 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 2 . 446 . 1 1 12 ILE H H 12.791 0.747 0.633 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 2 . 447 . 1 1 12 ILE HA H 12.265 -0.266 3.287 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 2 . 448 . 1 1 12 ILE HB H 9.975 0.280 2.527 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 2 . 449 . 1 1 12 ILE HD11 H 11.342 -1.887 4.699 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 2 . 450 . 1 1 12 ILE HD12 H 9.657 -2.187 5.098 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 2 . 451 . 1 1 12 ILE HD13 H 10.198 -0.548 4.741 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 2 . 452 . 1 1 12 ILE HG12 H 8.936 -1.936 2.894 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 2 . 453 . 1 1 12 ILE HG13 H 10.494 -2.714 2.665 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 2 . 454 . 1 1 12 ILE HG21 H 10.519 -0.084 0.094 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 2 . 455 . 1 1 12 ILE HG22 H 9.004 -0.821 0.616 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 2 . 456 . 1 1 12 ILE HG23 H 10.442 -1.820 0.396 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 2 . 457 . 1 1 12 ILE N N 12.330 0.798 1.506 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 2 . 458 . 1 1 12 ILE O O 13.090 -1.795 0.599 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 2 . 459 . 1 1 13 ARG C C 12.396 -5.010 2.487 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 2 . 460 . 1 1 13 ARG CA C 13.470 -3.925 2.474 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 2 . 461 . 1 1 13 ARG CB C 14.479 -4.145 3.616 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 2 . 462 . 1 1 13 ARG CD C 15.901 -5.837 2.307 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 2 . 463 . 1 1 13 ARG CG C 15.119 -5.536 3.598 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 2 . 464 . 1 1 13 ARG CZ C 17.800 -4.976 1.066 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 2 . 465 . 1 1 13 ARG H H 12.494 -2.435 3.589 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 2 . 466 . 1 1 13 ARG HA H 13.974 -3.939 1.525 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 2 . 467 . 1 1 13 ARG HB2 H 15.261 -3.409 3.551 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 468 . 1 1 13 ARG HB3 H 13.964 -4.014 4.557 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 469 . 1 1 13 ARG HD2 H 16.371 -6.803 2.407 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 2 . 470 . 1 1 13 ARG HD3 H 15.223 -5.860 1.469 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 2 . 471 . 1 1 13 ARG HE H 16.966 -4.044 2.608 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 2 . 472 . 1 1 13 ARG HG2 H 15.794 -5.616 4.435 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 2 . 473 . 1 1 13 ARG HG3 H 14.336 -6.264 3.718 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 2 . 474 . 1 1 13 ARG HH11 H 17.192 -6.820 0.588 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 2 . 475 . 1 1 13 ARG HH12 H 18.476 -6.175 -0.381 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 2 . 476 . 1 1 13 ARG HH21 H 18.633 -3.178 1.348 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 2 . 477 . 1 1 13 ARG HH22 H 19.283 -4.108 0.039 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 2 . 478 . 1 1 13 ARG N N 12.844 -2.621 2.698 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 2 . 479 . 1 1 13 ARG NE N 16.943 -4.847 2.071 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 2 . 480 . 1 1 13 ARG NH1 N 17.822 -6.075 0.368 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 2 . 481 . 1 1 13 ARG NH2 N 18.637 -4.012 0.796 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 2 . 482 . 1 1 13 ARG O O 12.084 -5.584 3.531 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 2 . 483 . 1 1 14 GLU C C 11.333 -7.660 1.480 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 2 . 484 . 1 1 14 GLU CA C 10.787 -6.275 1.164 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 2 . 485 . 1 1 14 GLU CB C 10.233 -6.243 -0.270 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 2 . 486 . 1 1 14 GLU CD C 7.979 -7.002 0.537 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 2 . 487 . 1 1 14 GLU CG C 9.118 -7.285 -0.437 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 2 . 488 . 1 1 14 GLU H H 12.126 -4.775 0.519 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 2 . 489 . 1 1 14 GLU HA H 9.993 -6.045 1.855 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 2 . 490 . 1 1 14 GLU HB2 H 9.837 -5.258 -0.483 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 491 . 1 1 14 GLU HB3 H 11.031 -6.463 -0.965 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 492 . 1 1 14 GLU HG2 H 8.740 -7.241 -1.447 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 2 . 493 . 1 1 14 GLU HG3 H 9.513 -8.272 -0.249 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 2 . 494 . 1 1 14 GLU N N 11.833 -5.273 1.310 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 2 . 495 . 1 1 14 GLU O O 10.647 -8.477 2.094 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 2 . 496 . 1 1 14 GLU OE1 O 7.416 -5.923 0.463 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 2 . 497 . 1 1 14 GLU OE2 O 7.685 -7.870 1.343 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 2 . 498 . 1 1 15 LYS C C 12.564 -10.119 2.148 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 2 . 499 . 1 1 15 LYS CA C 13.279 -9.140 1.213 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 2 . 500 . 1 1 15 LYS CB C 14.658 -8.781 1.750 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 2 . 501 . 1 1 15 LYS CD C 15.735 -10.816 0.725 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 2 . 502 . 1 1 15 LYS CE C 16.592 -12.030 1.032 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 2 . 503 . 1 1 15 LYS CG C 15.503 -10.021 2.013 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 2 . 504 . 1 1 15 LYS H H 13.046 -7.205 0.561 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 2 . 505 . 1 1 15 LYS HA H 13.393 -9.579 0.242 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 2 . 506 . 1 1 15 LYS HB2 H 15.158 -8.154 1.029 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 2 . 507 . 1 1 15 LYS HB3 H 14.542 -8.233 2.668 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 2 . 508 . 1 1 15 LYS HD2 H 14.798 -11.158 0.324 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 2 . 509 . 1 1 15 LYS HD3 H 16.239 -10.198 0.001 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 2 . 510 . 1 1 15 LYS HE2 H 16.086 -12.628 1.770 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 2 . 511 . 1 1 15 LYS HE3 H 16.724 -12.602 0.131 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 2 . 512 . 1 1 15 LYS HG2 H 16.449 -9.707 2.415 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 2 . 513 . 1 1 15 LYS HG3 H 15.001 -10.642 2.733 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 2 . 514 . 1 1 15 LYS HZ1 H 18.164 -10.667 1.184 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 2 . 515 . 1 1 15 LYS HZ2 H 18.645 -12.293 1.264 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 2 . 516 . 1 1 15 LYS HZ3 H 17.889 -11.564 2.598 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 2 . 517 . 1 1 15 LYS N N 12.572 -7.899 1.037 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 2 . 518 . 1 1 15 LYS NZ N 17.922 -11.605 1.560 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 2 . 519 . 1 1 15 LYS O O 12.270 -9.786 3.297 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 2 . 520 . 1 1 16 NH2 HN1 H 12.497 -11.580 0.805 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 2 . 521 . 1 1 16 NH2 HN2 H 11.805 -11.946 2.312 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 2 . 522 . 1 1 16 NH2 N N 12.265 -11.314 1.719 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 3 . 523 . 1 1 1 NH2 HN1 H 20.965 -5.560 0.195 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 3 . 524 . 1 1 1 NH2 HN2 H 21.325 -7.119 -0.369 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 3 . 525 . 1 1 1 NH2 N N 20.669 -6.418 -0.175 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 3 . 526 . 1 1 2 GLN C C 19.402 -6.626 -0.408 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 3 . 527 . 1 1 2 GLN CA C 18.393 -5.526 -0.100 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 3 . 528 . 1 1 2 GLN CB C 17.507 -5.988 1.064 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 3 . 529 . 1 1 2 GLN CD C 15.464 -4.833 0.244 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 3 . 530 . 1 1 2 GLN CG C 16.450 -4.926 1.392 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 3 . 531 . 1 1 2 GLN H H 16.844 -5.766 -1.577 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 3 . 532 . 1 1 2 GLN HA H 18.938 -4.646 0.217 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 3 . 533 . 1 1 2 GLN HB2 H 17.014 -6.909 0.792 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 534 . 1 1 2 GLN HB3 H 18.123 -6.157 1.935 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 535 . 1 1 2 GLN HE21 H 15.740 -2.899 -0.062 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 3 . 536 . 1 1 2 GLN HE22 H 14.616 -3.653 -1.083 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 3 . 537 . 1 1 2 GLN HG2 H 15.930 -5.193 2.297 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 3 . 538 . 1 1 2 GLN HG3 H 16.927 -3.965 1.526 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 3 . 539 . 1 1 2 GLN N N 17.615 -5.206 -1.308 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 3 . 540 . 1 1 2 GLN NE2 N 15.259 -3.702 -0.349 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 3 . 541 . 1 1 2 GLN O O 19.030 -7.704 -0.873 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 3 . 542 . 1 1 2 GLN OE1 O 14.843 -5.830 -0.109 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 3 . 543 . 1 1 3 LYS C C 17.951 -4.159 -2.055 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 3 . 544 . 1 1 3 LYS CA C 17.096 -3.899 -3.281 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 3 . 545 . 1 1 3 LYS CB C 17.839 -4.372 -4.525 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 3 . 546 . 1 1 3 LYS CD C 18.818 -6.425 -5.682 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 3 . 547 . 1 1 3 LYS CE C 20.119 -5.693 -6.035 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 3 . 548 . 1 1 3 LYS CG C 18.175 -5.866 -4.396 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 3 . 549 . 1 1 3 LYS H H 16.722 -2.079 -4.307 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 3 . 550 . 1 1 3 LYS HA H 16.181 -4.457 -3.193 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 3 . 551 . 1 1 3 LYS HB2 H 17.233 -4.203 -5.403 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 552 . 1 1 3 LYS HB3 H 18.745 -3.804 -4.590 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 553 . 1 1 3 LYS HD2 H 19.034 -7.473 -5.541 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 3 . 554 . 1 1 3 LYS HD3 H 18.120 -6.316 -6.499 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 3 . 555 . 1 1 3 LYS HE2 H 20.790 -5.736 -5.193 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 3 . 556 . 1 1 3 LYS HE3 H 20.580 -6.170 -6.887 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 3 . 557 . 1 1 3 LYS HG2 H 18.868 -6.006 -3.580 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 3 . 558 . 1 1 3 LYS HG3 H 17.271 -6.417 -4.187 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 3 . 559 . 1 1 3 LYS HZ1 H 20.275 -3.661 -5.640 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 3 . 560 . 1 1 3 LYS HZ2 H 18.805 -4.121 -6.356 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 3 . 561 . 1 1 3 LYS HZ3 H 20.222 -4.042 -7.293 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 3 . 562 . 1 1 3 LYS N N 16.790 -2.468 -3.409 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 3 . 563 . 1 1 3 LYS NZ N 19.836 -4.272 -6.357 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 3 . 564 . 1 1 3 LYS O O 18.900 -3.422 -1.786 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 3 . 565 . 1 1 4 PHE C C 16.628 -1.674 -2.339 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 3 . 566 . 1 1 4 PHE CA C 16.339 -0.201 -2.616 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 3 . 567 . 1 1 4 PHE CB C 16.594 0.613 -1.338 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 3 . 568 . 1 1 4 PHE CD1 C 14.494 -0.565 -0.402 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 3 . 569 . 1 1 4 PHE CD2 C 15.715 1.006 0.987 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 3 . 570 . 1 1 4 PHE CE1 C 13.571 -0.741 0.629 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 3 . 571 . 1 1 4 PHE CE2 C 14.770 0.829 2.005 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 3 . 572 . 1 1 4 PHE CG C 15.585 0.318 -0.228 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 3 . 573 . 1 1 4 PHE CZ C 13.696 -0.046 1.816 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 3 . 574 . 1 1 4 PHE H H 14.373 -0.761 -3.188 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 3 . 575 . 1 1 4 PHE HA H 17.032 0.136 -3.369 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 3 . 576 . 1 1 4 PHE HB2 H 17.584 0.387 -0.974 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 577 . 1 1 4 PHE HB3 H 16.546 1.665 -1.583 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 578 . 1 1 4 PHE HD1 H 14.369 -1.128 -1.305 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 3 . 579 . 1 1 4 PHE HD2 H 16.543 1.683 1.135 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 3 . 580 . 1 1 4 PHE HE1 H 12.742 -1.401 0.499 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 3 . 581 . 1 1 4 PHE HE2 H 14.877 1.357 2.939 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 3 . 582 . 1 1 4 PHE HZ H 12.944 -0.170 2.578 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 3 . 583 . 1 1 4 PHE N N 14.979 0.009 -3.126 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 3 . 584 . 1 1 4 PHE O O 16.727 -2.072 -1.182 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 3 . 585 . 1 1 5 ILE C C 14.539 1.211 -3.515 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 3 . 586 . 1 1 5 ILE CA C 13.100 1.249 -4.042 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 3 . 587 . 1 1 5 ILE CB C 13.089 0.540 -5.419 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 3 . 588 . 1 1 5 ILE CD1 C 13.871 2.657 -6.634 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 3 . 589 . 1 1 5 ILE CG1 C 14.123 1.168 -6.393 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 3 . 590 . 1 1 5 ILE CG2 C 11.669 0.591 -6.054 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 3 . 591 . 1 1 5 ILE H H 13.155 3.361 -4.428 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 3 . 592 . 1 1 5 ILE HA H 12.480 0.681 -3.365 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 3 . 593 . 1 1 5 ILE HB H 13.359 -0.498 -5.256 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 3 . 594 . 1 1 5 ILE HD11 H 14.462 3.239 -5.945 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 3 . 595 . 1 1 5 ILE HD12 H 12.833 2.879 -6.498 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 3 . 596 . 1 1 5 ILE HD13 H 14.158 2.907 -7.645 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 3 . 597 . 1 1 5 ILE HG12 H 15.114 1.041 -5.992 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 3 . 598 . 1 1 5 ILE HG13 H 14.064 0.647 -7.337 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 3 . 599 . 1 1 5 ILE HG21 H 10.947 0.936 -5.326 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 3 . 600 . 1 1 5 ILE HG22 H 11.383 -0.398 -6.387 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 3 . 601 . 1 1 5 ILE HG23 H 11.664 1.259 -6.903 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 3 . 602 . 1 1 5 ILE N N 12.585 2.641 -4.112 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 3 . 603 . 1 1 5 ILE O O 15.230 2.229 -3.477 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 3 . 604 . 1 1 6 ARG C C 11.344 2.939 -3.714 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 3 . 605 . 1 1 6 ARG CA C 10.922 4.407 -3.802 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 3 . 606 . 1 1 6 ARG CB C 11.304 4.981 -5.170 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 3 . 607 . 1 1 6 ARG CD C 9.038 4.595 -6.265 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 3 . 608 . 1 1 6 ARG CG C 10.544 4.282 -6.314 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 3 . 609 . 1 1 6 ARG CZ C 7.607 6.561 -6.317 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 3 . 610 . 1 1 6 ARG H H 10.942 5.658 -2.107 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 3 . 611 . 1 1 6 ARG HA H 9.875 4.460 -3.681 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 3 . 612 . 1 1 6 ARG HB2 H 11.070 6.035 -5.186 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 613 . 1 1 6 ARG HB3 H 12.365 4.854 -5.323 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 614 . 1 1 6 ARG HD2 H 8.560 4.126 -7.112 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 3 . 615 . 1 1 6 ARG HD3 H 8.596 4.211 -5.364 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 3 . 616 . 1 1 6 ARG HE H 9.604 6.631 -6.431 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 3 . 617 . 1 1 6 ARG HG2 H 10.945 4.602 -7.260 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 3 . 618 . 1 1 6 ARG HG3 H 10.667 3.221 -6.212 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 3 . 619 . 1 1 6 ARG HH11 H 6.686 4.793 -6.160 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 3 . 620 . 1 1 6 ARG HH12 H 5.647 6.179 -6.189 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 3 . 621 . 1 1 6 ARG HH21 H 8.251 8.452 -6.471 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 3 . 622 . 1 1 6 ARG HH22 H 6.534 8.251 -6.366 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 3 . 623 . 1 1 6 ARG N N 11.535 5.209 -2.744 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 3 . 624 . 1 1 6 ARG NE N 8.829 6.037 -6.350 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 3 . 625 . 1 1 6 ARG NH1 N 6.566 5.784 -6.214 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 3 . 626 . 1 1 6 ARG NH2 N 7.452 7.855 -6.390 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 3 . 627 . 1 1 6 ARG O O 10.567 2.090 -3.261 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 3 . 628 . 1 1 7 VAL C C 12.847 5.394 -2.620 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 3 . 629 . 1 1 7 VAL CA C 13.237 6.321 -1.464 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 3 . 630 . 1 1 7 VAL CB C 13.419 7.738 -2.016 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 3 . 631 . 1 1 7 VAL CG1 C 12.142 8.175 -2.736 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 3 . 632 . 1 1 7 VAL CG2 C 13.707 8.711 -0.868 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 3 . 633 . 1 1 7 VAL H H 15.171 5.441 -1.276 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 3 . 634 . 1 1 7 VAL HA H 12.418 6.339 -0.759 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 3 . 635 . 1 1 7 VAL HB H 14.245 7.748 -2.714 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 3 . 636 . 1 1 7 VAL HG11 H 11.284 7.941 -2.122 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 3 . 637 . 1 1 7 VAL HG12 H 12.062 7.652 -3.678 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 3 . 638 . 1 1 7 VAL HG13 H 12.175 9.240 -2.917 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 3 . 639 . 1 1 7 VAL HG21 H 13.016 8.529 -0.059 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 3 . 640 . 1 1 7 VAL HG22 H 13.589 9.726 -1.219 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 3 . 641 . 1 1 7 VAL HG23 H 14.719 8.569 -0.519 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 3 . 642 . 1 1 7 VAL N N 14.464 5.896 -0.774 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 3 . 643 . 1 1 7 VAL O O 13.688 4.914 -3.379 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 3 . 644 . 1 1 8 . C11 C 17.483 5.237 3.602 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 3 . 645 . 1 1 8 . C12 C 17.750 6.444 2.715 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 3 . 646 . 1 1 8 . C13 C 16.473 6.857 2.001 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 3 . 647 . 1 1 8 . C14 C 15.936 5.700 1.174 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 3 . 648 . 1 1 8 . C15 C 14.631 6.140 0.508 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 3 . 649 . 1 1 8 . C7 C 14.569 4.726 3.062 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 3 . 650 . 1 1 8 . C8 C 15.684 4.475 2.043 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 3 . 651 . 1 1 8 . C9 C 16.976 4.087 2.748 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 3 . 652 . 1 1 8 . H111 H 16.737 5.486 4.355 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 3 . 653 . 1 1 8 . H112 H 18.409 4.941 4.096 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 3 . 654 . 1 1 8 . H12 H 18.510 6.181 1.981 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 3 . 655 . 1 1 8 . H14 H 16.661 5.454 0.400 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 3 . 656 . 1 1 8 . H8 H 15.383 3.646 1.403 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 3 . 657 . 1 1 8 . H9 H 16.788 3.218 3.380 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 3 . 658 . 1 1 8 . HAG H 18.109 7.273 3.325 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 3 . 659 . 1 1 8 . HAI H 17.732 3.833 2.006 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 3 . 660 . 1 1 8 . HAK H 15.725 7.182 2.724 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 3 . 661 . 1 1 8 . HAL H 16.703 7.690 1.337 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 3 . 662 . 1 1 8 . O1 O 13.606 3.961 3.089 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 3 . 663 . 1 1 8 . OAB O 13.776 6.722 1.174 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 3 . 664 . 1 1 9 GLY C C 12.243 5.613 4.440 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 3 . 665 . 1 1 9 GLY CA C 13.639 6.055 4.893 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 3 . 666 . 1 1 9 GLY H H 15.460 6.320 3.830 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 3 . 667 . 1 1 9 GLY HA2 H 13.886 5.548 5.813 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 3 . 668 . 1 1 9 GLY HA3 H 13.627 7.121 5.070 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 3 . 669 . 1 1 9 GLY N N 14.671 5.748 3.884 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 3 . 670 . 1 1 9 GLY O O 11.715 4.615 4.929 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 3 . 671 . 1 1 10 VAL C C 10.553 5.117 1.709 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 3 . 672 . 1 1 10 VAL CA C 10.352 5.977 2.948 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 3 . 673 . 1 1 10 VAL CB C 9.561 7.235 2.584 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 3 . 674 . 1 1 10 VAL CG1 C 8.193 6.837 2.027 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 3 . 675 . 1 1 10 VAL CG2 C 9.369 8.094 3.836 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 3 . 676 . 1 1 10 VAL H H 12.145 7.107 3.105 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 3 . 677 . 1 1 10 VAL HA H 9.800 5.411 3.687 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 3 . 678 . 1 1 10 VAL HB H 10.104 7.798 1.837 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 3 . 679 . 1 1 10 VAL HG11 H 7.722 6.134 2.699 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 3 . 680 . 1 1 10 VAL HG12 H 8.318 6.380 1.057 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 3 . 681 . 1 1 10 VAL HG13 H 7.573 7.717 1.933 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 3 . 682 . 1 1 10 VAL HG21 H 8.978 9.060 3.553 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 3 . 683 . 1 1 10 VAL HG22 H 10.318 8.223 4.335 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 3 . 684 . 1 1 10 VAL HG23 H 8.675 7.606 4.505 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 3 . 685 . 1 1 10 VAL N N 11.668 6.337 3.480 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 3 . 686 . 1 1 10 VAL O O 10.627 5.625 0.585 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 3 . 687 . 1 1 11 THR C C 10.386 1.497 1.145 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 3 . 688 . 1 1 11 THR CA C 10.923 2.896 0.819 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 3 . 689 . 1 1 11 THR CB C 12.420 2.868 0.552 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 3 . 690 . 1 1 11 THR CG2 C 12.711 2.028 -0.677 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 3 . 691 . 1 1 11 THR H H 10.643 3.464 2.839 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 3 . 692 . 1 1 11 THR HA H 10.420 3.262 -0.065 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 3 . 693 . 1 1 11 THR HB H 12.936 2.470 1.403 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 3 . 694 . 1 1 11 THR HG1 H 12.458 4.483 -0.528 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 3 . 695 . 1 1 11 THR HG21 H 12.285 2.509 -1.523 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 3 . 696 . 1 1 11 THR HG22 H 12.281 1.052 -0.570 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 3 . 697 . 1 1 11 THR HG23 H 13.772 1.950 -0.815 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 3 . 698 . 1 1 11 THR N N 10.682 3.811 1.924 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 3 . 699 . 1 1 11 THR O O 10.292 1.115 2.309 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 3 . 700 . 1 1 11 THR OG1 O 12.859 4.193 0.294 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 3 . 701 . 1 1 12 ILE C C 10.100 -1.583 -0.760 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 3 . 702 . 1 1 12 ILE CA C 9.462 -0.602 0.230 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 3 . 703 . 1 1 12 ILE CB C 7.951 -0.564 -0.037 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 3 . 704 . 1 1 12 ILE CD1 C 7.408 -0.112 2.422 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 3 . 705 . 1 1 12 ILE CG1 C 7.236 0.366 0.965 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 3 . 706 . 1 1 12 ILE CG2 C 7.372 -1.980 0.061 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 3 . 707 . 1 1 12 ILE H H 10.140 1.129 -0.789 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 3 . 708 . 1 1 12 ILE HA H 9.634 -0.961 1.233 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 3 . 709 . 1 1 12 ILE HB H 7.787 -0.194 -1.039 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 3 . 710 . 1 1 12 ILE HD11 H 7.688 -1.153 2.453 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 3 . 711 . 1 1 12 ILE HD12 H 6.473 0.015 2.947 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 3 . 712 . 1 1 12 ILE HD13 H 8.165 0.478 2.907 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 3 . 713 . 1 1 12 ILE HG12 H 7.644 1.362 0.873 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 3 . 714 . 1 1 12 ILE HG13 H 6.182 0.396 0.725 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 3 . 715 . 1 1 12 ILE HG21 H 7.764 -2.469 0.940 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 3 . 716 . 1 1 12 ILE HG22 H 7.649 -2.543 -0.818 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 3 . 717 . 1 1 12 ILE HG23 H 6.296 -1.924 0.130 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 3 . 718 . 1 1 12 ILE N N 10.023 0.755 0.096 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 3 . 719 . 1 1 12 ILE O O 10.241 -1.280 -1.945 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 3 . 720 . 1 1 13 ARG C C 11.187 -5.084 -0.258 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 3 . 721 . 1 1 13 ARG CA C 11.068 -3.802 -1.088 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 3 . 722 . 1 1 13 ARG CB C 12.421 -3.299 -1.598 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 3 . 723 . 1 1 13 ARG CD C 12.427 -4.763 -3.627 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 3 . 724 . 1 1 13 ARG CG C 13.180 -4.319 -2.399 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 3 . 725 . 1 1 13 ARG CZ C 14.396 -5.294 -4.921 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 3 . 726 . 1 1 13 ARG H H 10.321 -2.946 0.683 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 3 . 727 . 1 1 13 ARG HA H 10.414 -3.982 -1.924 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 3 . 728 . 1 1 13 ARG HB2 H 12.266 -2.446 -2.224 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 729 . 1 1 13 ARG HB3 H 13.019 -3.027 -0.766 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 730 . 1 1 13 ARG HD2 H 11.514 -5.252 -3.352 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 3 . 731 . 1 1 13 ARG HD3 H 12.216 -3.913 -4.259 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 3 . 732 . 1 1 13 ARG HE H 13.082 -6.624 -4.261 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 3 . 733 . 1 1 13 ARG HG2 H 14.104 -3.880 -2.707 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 3 . 734 . 1 1 13 ARG HG3 H 13.378 -5.172 -1.776 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 3 . 735 . 1 1 13 ARG HH11 H 14.021 -3.344 -4.677 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 3 . 736 . 1 1 13 ARG HH12 H 15.503 -3.726 -5.488 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 3 . 737 . 1 1 13 ARG HH21 H 15.012 -7.156 -5.326 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 3 . 738 . 1 1 13 ARG HH22 H 16.064 -5.886 -5.855 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 3 . 739 . 1 1 13 ARG N N 10.465 -2.763 -0.263 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 3 . 740 . 1 1 13 ARG NE N 13.276 -5.690 -4.327 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 3 . 741 . 1 1 13 ARG NH1 N 14.661 -4.023 -5.037 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 3 . 742 . 1 1 13 ARG NH2 N 15.222 -6.181 -5.404 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 3 . 743 . 1 1 13 ARG O O 11.021 -5.043 0.962 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 3 . 744 . 1 1 14 GLU C C 12.843 -7.591 0.609 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 3 . 745 . 1 1 14 GLU CA C 11.530 -7.483 -0.153 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 3 . 746 . 1 1 14 GLU CB C 11.374 -8.705 -1.075 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 3 . 747 . 1 1 14 GLU CD C 9.833 -7.479 -2.634 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 3 . 748 . 1 1 14 GLU CG C 9.993 -8.698 -1.740 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 3 . 749 . 1 1 14 GLU H H 11.558 -6.222 -1.866 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 3 . 750 . 1 1 14 GLU HA H 10.722 -7.497 0.564 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 3 . 751 . 1 1 14 GLU HB2 H 12.137 -8.673 -1.839 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 752 . 1 1 14 GLU HB3 H 11.487 -9.611 -0.496 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 753 . 1 1 14 GLU HG2 H 9.880 -9.593 -2.335 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 3 . 754 . 1 1 14 GLU HG3 H 9.230 -8.682 -0.976 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 3 . 755 . 1 1 14 GLU N N 11.442 -6.225 -0.899 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 3 . 756 . 1 1 14 GLU O O 13.877 -7.939 0.040 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 3 . 757 . 1 1 14 GLU OE1 O 10.618 -7.347 -3.556 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 3 . 758 . 1 1 14 GLU OE2 O 8.927 -6.699 -2.387 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 3 . 759 . 1 1 15 LYS C C 14.070 -8.746 3.429 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 3 . 760 . 1 1 15 LYS CA C 13.964 -7.375 2.767 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 3 . 761 . 1 1 15 LYS CB C 13.890 -6.279 3.840 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 3 . 762 . 1 1 15 LYS CD C 12.522 -5.417 5.817 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 3 . 763 . 1 1 15 LYS CE C 12.456 -3.977 5.273 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 3 . 764 . 1 1 15 LYS CG C 12.619 -6.466 4.687 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 3 . 765 . 1 1 15 LYS H H 11.923 -7.046 2.301 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 3 . 766 . 1 1 15 LYS HA H 14.847 -7.215 2.167 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 3 . 767 . 1 1 15 LYS HB2 H 14.764 -6.332 4.475 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 3 . 768 . 1 1 15 LYS HB3 H 13.857 -5.324 3.347 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 3 . 769 . 1 1 15 LYS HD2 H 11.633 -5.611 6.399 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 3 . 770 . 1 1 15 LYS HD3 H 13.387 -5.513 6.458 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 3 . 771 . 1 1 15 LYS HE2 H 12.355 -3.294 6.105 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 3 . 772 . 1 1 15 LYS HE3 H 13.353 -3.735 4.734 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 3 . 773 . 1 1 15 LYS HG2 H 11.754 -6.378 4.048 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 3 . 774 . 1 1 15 LYS HG3 H 12.628 -7.452 5.128 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 3 . 775 . 1 1 15 LYS HZ1 H 10.509 -4.458 4.704 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 3 . 776 . 1 1 15 LYS HZ2 H 11.535 -4.068 3.406 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 3 . 777 . 1 1 15 LYS HZ3 H 10.934 -2.843 4.416 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 3 . 778 . 1 1 15 LYS N N 12.783 -7.305 1.909 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 3 . 779 . 1 1 15 LYS NZ N 11.269 -3.826 4.383 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 3 . 780 . 1 1 15 LYS O O 13.057 -9.352 3.778 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 3 . 781 . 1 1 16 NH2 HN1 H 16.053 -8.792 3.345 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 3 . 782 . 1 1 16 NH2 HN2 H 15.325 -10.155 4.047 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 3 . 783 . 1 1 16 NH2 N N 15.248 -9.275 3.623 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 4 . 784 . 1 1 1 NH2 HN1 H 21.402 -6.270 -0.043 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 4 . 785 . 1 1 1 NH2 HN2 H 22.198 -7.046 -1.325 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 4 . 786 . 1 1 1 NH2 N N 21.367 -6.747 -0.898 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 4 . 787 . 1 1 2 GLN C C 20.218 -6.987 -1.467 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 4 . 788 . 1 1 2 GLN CA C 18.931 -6.517 -0.789 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 4 . 789 . 1 1 2 GLN CB C 18.302 -7.687 -0.033 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 4 . 790 . 1 1 2 GLN CD C 16.396 -8.400 1.396 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 4 . 791 . 1 1 2 GLN CG C 17.071 -7.209 0.736 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 4 . 792 . 1 1 2 GLN H H 17.042 -6.279 -1.766 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 4 . 793 . 1 1 2 GLN HA H 19.172 -5.735 -0.086 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 4 . 794 . 1 1 2 GLN HB2 H 18.010 -8.453 -0.737 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 795 . 1 1 2 GLN HB3 H 19.021 -8.093 0.663 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 796 . 1 1 2 GLN HE21 H 14.727 -8.212 0.308 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 4 . 797 . 1 1 2 GLN HE22 H 14.738 -9.502 1.420 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 4 . 798 . 1 1 2 GLN HG2 H 17.365 -6.485 1.492 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 4 . 799 . 1 1 2 GLN HG3 H 16.394 -6.747 0.072 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 4 . 800 . 1 1 2 GLN N N 17.987 -5.991 -1.786 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 4 . 801 . 1 1 2 GLN NE2 N 15.187 -8.733 1.011 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 4 . 802 . 1 1 2 GLN O O 20.175 -7.587 -2.541 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 4 . 803 . 1 1 2 GLN OE1 O 16.991 -9.071 2.240 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 4 . 804 . 1 1 3 LYS C C 18.414 -5.136 -2.722 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 4 . 805 . 1 1 3 LYS CA C 17.407 -4.611 -3.760 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 4 . 806 . 1 1 3 LYS CB C 17.809 -5.173 -5.129 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 4 . 807 . 1 1 3 LYS CD C 15.402 -5.049 -6.044 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 4 . 808 . 1 1 3 LYS CE C 15.222 -6.561 -5.851 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 4 . 809 . 1 1 3 LYS CG C 16.888 -4.680 -6.264 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 4 . 810 . 1 1 3 LYS H H 18.347 -2.715 -3.768 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 4 . 811 . 1 1 3 LYS HA H 16.411 -4.944 -3.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 4 . 812 . 1 1 3 LYS HB2 H 18.817 -4.850 -5.346 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 813 . 1 1 3 LYS HB3 H 17.800 -6.249 -5.096 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 814 . 1 1 3 LYS HD2 H 15.016 -4.529 -5.189 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 4 . 815 . 1 1 3 LYS HD3 H 14.840 -4.743 -6.914 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 4 . 816 . 1 1 3 LYS HE2 H 15.702 -6.881 -4.944 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 4 . 817 . 1 1 3 LYS HE3 H 14.166 -6.780 -5.781 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 4 . 818 . 1 1 3 LYS HG2 H 16.970 -3.605 -6.334 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 4 . 819 . 1 1 3 LYS HG3 H 17.222 -5.113 -7.194 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 4 . 820 . 1 1 3 LYS HZ1 H 15.249 -8.163 -7.173 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 4 . 821 . 1 1 3 LYS HZ2 H 16.783 -7.530 -6.813 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 4 . 822 . 1 1 3 LYS HZ3 H 15.739 -6.691 -7.859 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 4 . 823 . 1 1 3 LYS N N 17.466 -3.145 -3.766 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 4 . 824 . 1 1 3 LYS NZ N 15.790 -7.292 -7.013 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 4 . 825 . 1 1 3 LYS O O 19.588 -4.770 -2.776 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 4 . 826 . 1 1 4 PHE C C 16.381 -2.367 -3.727 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 4 . 827 . 1 1 4 PHE CA C 16.672 -0.867 -3.688 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 4 . 828 . 1 1 4 PHE CB C 17.343 -0.594 -2.332 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 4 . 829 . 1 1 4 PHE CD1 C 14.994 -0.908 -1.319 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 4 . 830 . 1 1 4 PHE CD2 C 16.929 -0.911 0.139 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 4 . 831 . 1 1 4 PHE CE1 C 14.165 -1.069 -0.219 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 4 . 832 . 1 1 4 PHE CE2 C 16.084 -1.081 1.246 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 4 . 833 . 1 1 4 PHE CG C 16.394 -0.832 -1.155 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 4 . 834 . 1 1 4 PHE CZ C 14.699 -1.157 1.064 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 4 . 835 . 1 1 4 PHE H H 14.610 -0.545 -4.022 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 4 . 836 . 1 1 4 PHE HA H 17.373 -0.630 -4.470 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 4 . 837 . 1 1 4 PHE HB2 H 18.199 -1.244 -2.228 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 838 . 1 1 4 PHE HB3 H 17.681 0.433 -2.310 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 839 . 1 1 4 PHE HD1 H 14.544 -0.858 -2.280 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 4 . 840 . 1 1 4 PHE HD2 H 17.998 -0.856 0.283 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 4 . 841 . 1 1 4 PHE HE1 H 13.101 -1.121 -0.365 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 4 . 842 . 1 1 4 PHE HE2 H 16.504 -1.167 2.237 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 4 . 843 . 1 1 4 PHE HZ H 14.037 -1.289 1.912 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 4 . 844 . 1 1 4 PHE N N 15.461 -0.076 -3.890 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 4 . 845 . 1 1 4 PHE O O 15.229 -2.795 -3.676 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 4 . 846 . 1 1 5 ILE C C 15.462 1.251 -3.882 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 4 . 847 . 1 1 5 ILE CA C 14.092 1.901 -4.091 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 4 . 848 . 1 1 5 ILE CB C 13.811 2.060 -5.596 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 4 . 849 . 1 1 5 ILE CD1 C 13.500 0.825 -7.761 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 4 . 850 . 1 1 5 ILE CG1 C 13.838 0.682 -6.274 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 4 . 851 . 1 1 5 ILE CG2 C 14.881 2.958 -6.236 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 4 . 852 . 1 1 5 ILE H H 14.560 3.946 -3.788 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 4 . 853 . 1 1 5 ILE HA H 13.337 1.250 -3.670 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 4 . 854 . 1 1 5 ILE HB H 12.835 2.509 -5.728 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 4 . 855 . 1 1 5 ILE HD11 H 13.463 -0.153 -8.217 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 4 . 856 . 1 1 5 ILE HD12 H 14.260 1.419 -8.248 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 4 . 857 . 1 1 5 ILE HD13 H 12.540 1.307 -7.869 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 4 . 858 . 1 1 5 ILE HG12 H 14.822 0.250 -6.176 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 4 . 859 . 1 1 5 ILE HG13 H 13.113 0.036 -5.804 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 4 . 860 . 1 1 5 ILE HG21 H 14.655 3.101 -7.284 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 4 . 861 . 1 1 5 ILE HG22 H 15.849 2.489 -6.141 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 4 . 862 . 1 1 5 ILE HG23 H 14.898 3.917 -5.742 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 4 . 863 . 1 1 5 ILE N N 14.030 3.207 -3.428 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 4 . 864 . 1 1 5 ILE O O 16.473 1.930 -3.706 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 4 . 865 . 1 1 6 ARG C C 13.272 3.428 -2.347 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 4 . 866 . 1 1 6 ARG CA C 13.333 4.854 -1.796 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 4 . 867 . 1 1 6 ARG CB C 14.494 4.994 -0.817 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 4 . 868 . 1 1 6 ARG CD C 16.936 4.827 -0.483 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 4 . 869 . 1 1 6 ARG CG C 15.815 4.655 -1.501 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 4 . 870 . 1 1 6 ARG CZ C 17.314 7.214 -0.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 4 . 871 . 1 1 6 ARG H H 12.072 5.138 -0.134 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 4 . 872 . 1 1 6 ARG HA H 13.488 5.539 -2.614 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 4 . 873 . 1 1 6 ARG HB2 H 14.531 6.011 -0.452 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 874 . 1 1 6 ARG HB3 H 14.341 4.324 0.012 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 875 . 1 1 6 ARG HD2 H 16.745 4.174 0.356 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 4 . 876 . 1 1 6 ARG HD3 H 17.878 4.560 -0.937 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 4 . 877 . 1 1 6 ARG HE H 16.775 6.396 0.932 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 4 . 878 . 1 1 6 ARG HG2 H 15.796 3.631 -1.847 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 4 . 879 . 1 1 6 ARG HG3 H 15.974 5.318 -2.335 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 4 . 880 . 1 1 6 ARG HH11 H 17.648 6.047 -2.406 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 4 . 881 . 1 1 6 ARG HH12 H 17.878 7.745 -2.660 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 4 . 882 . 1 1 6 ARG HH21 H 17.082 8.615 0.598 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 4 . 883 . 1 1 6 ARG HH22 H 17.559 9.196 -0.962 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 4 . 884 . 1 1 6 ARG N N 12.103 5.210 -1.108 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 4 . 885 . 1 1 6 ARG NE N 16.993 6.206 -0.004 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 4 . 886 . 1 1 6 ARG NH1 N 17.639 6.984 -2.056 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 4 . 887 . 1 1 6 ARG NH2 N 17.318 8.437 -0.357 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 4 . 888 . 1 1 6 ARG O O 12.568 2.560 -1.810 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 4 . 889 . 1 1 7 VAL C C 11.037 5.650 -1.774 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 4 . 890 . 1 1 7 VAL CA C 9.816 6.014 -0.932 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 4 . 891 . 1 1 7 VAL CB C 8.618 5.151 -1.344 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 4 . 892 . 1 1 7 VAL CG1 C 8.270 5.402 -2.817 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 4 . 893 . 1 1 7 VAL CG2 C 8.959 3.673 -1.139 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 4 . 894 . 1 1 7 VAL H H 9.381 7.777 -2.030 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 4 . 895 . 1 1 7 VAL HA H 10.043 5.821 0.108 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 4 . 896 . 1 1 7 VAL HB H 7.768 5.411 -0.729 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 4 . 897 . 1 1 7 VAL HG11 H 7.252 5.090 -3.001 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 4 . 898 . 1 1 7 VAL HG12 H 8.936 4.836 -3.452 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 4 . 899 . 1 1 7 VAL HG13 H 8.369 6.455 -3.039 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 4 . 900 . 1 1 7 VAL HG21 H 9.297 3.518 -0.124 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 4 . 901 . 1 1 7 VAL HG22 H 9.740 3.384 -1.827 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 4 . 902 . 1 1 7 VAL HG23 H 8.079 3.075 -1.322 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 4 . 903 . 1 1 7 VAL N N 9.483 7.433 -1.119 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 4 . 904 . 1 1 7 VAL O O 11.023 5.786 -2.997 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 4 . 905 . 1 1 8 . C11 C 8.911 12.549 0.192 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 4 . 906 . 1 1 8 . C12 C 7.652 11.696 0.230 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 4 . 907 . 1 1 8 . C13 C 8.011 10.264 0.588 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 4 . 908 . 1 1 8 . C14 C 8.975 9.708 -0.448 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 4 . 909 . 1 1 8 . C15 C 9.319 8.256 -0.112 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 4 . 910 . 1 1 8 . C7 C 10.934 10.508 0.894 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 4 . 911 . 1 1 8 . C8 C 10.245 10.546 -0.471 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 4 . 912 . 1 1 8 . C9 C 9.886 11.981 -0.827 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 4 . 913 . 1 1 8 . H111 H 9.378 12.557 1.177 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 4 . 914 . 1 1 8 . H112 H 8.647 13.569 -0.090 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 4 . 915 . 1 1 8 . H12 H 7.179 11.722 -0.751 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 4 . 916 . 1 1 8 . H14 H 8.501 9.742 -1.429 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 4 . 917 . 1 1 8 . H8 H 10.927 10.152 -1.224 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 4 . 918 . 1 1 8 . H9 H 10.795 12.582 -0.840 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 4 . 919 . 1 1 8 . HAG H 6.961 12.095 0.974 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 4 . 920 . 1 1 8 . HAI H 9.425 12.005 -1.814 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 4 . 921 . 1 1 8 . HAK H 8.479 10.236 1.572 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 4 . 922 . 1 1 8 . HAL H 7.102 9.664 0.602 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 4 . 923 . 1 1 8 . O1 O 11.121 11.546 1.526 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 4 . 924 . 1 1 8 . OAB O 9.433 7.898 1.060 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 4 . 925 . 1 1 9 GLY C C 12.172 7.763 3.032 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 4 . 926 . 1 1 9 GLY CA C 11.997 9.225 2.636 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 4 . 927 . 1 1 9 GLY H H 11.170 8.542 0.809 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 4 . 928 . 1 1 9 GLY HA2 H 12.968 9.694 2.572 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 4 . 929 . 1 1 9 GLY HA3 H 11.410 9.726 3.390 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 4 . 930 . 1 1 9 GLY N N 11.324 9.346 1.347 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 4 . 931 . 1 1 9 GLY O O 13.285 7.240 3.038 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 4 . 932 . 1 1 10 VAL C C 11.541 4.828 2.612 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 4 . 933 . 1 1 10 VAL CA C 11.098 5.718 3.770 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 4 . 934 . 1 1 10 VAL CB C 9.709 5.305 4.247 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 4 . 935 . 1 1 10 VAL CG1 C 9.302 6.170 5.441 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 4 . 936 . 1 1 10 VAL CG2 C 8.696 5.498 3.116 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 4 . 937 . 1 1 10 VAL H H 10.204 7.573 3.352 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 4 . 938 . 1 1 10 VAL HA H 11.794 5.605 4.587 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 4 . 939 . 1 1 10 VAL HB H 9.728 4.276 4.542 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 4 . 940 . 1 1 10 VAL HG11 H 10.106 6.193 6.161 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 4 . 941 . 1 1 10 VAL HG12 H 8.417 5.755 5.902 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 4 . 942 . 1 1 10 VAL HG13 H 9.093 7.175 5.103 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 4 . 943 . 1 1 10 VAL HG21 H 8.708 6.528 2.794 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 4 . 944 . 1 1 10 VAL HG22 H 7.709 5.243 3.470 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 4 . 945 . 1 1 10 VAL HG23 H 8.957 4.859 2.285 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 4 . 946 . 1 1 10 VAL N N 11.065 7.110 3.369 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 4 . 947 . 1 1 10 VAL O O 11.852 5.314 1.525 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 4 . 948 . 1 1 11 THR C C 11.142 1.287 1.961 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 4 . 949 . 1 1 11 THR CA C 11.982 2.554 1.837 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 4 . 950 . 1 1 11 THR CB C 13.463 2.209 2.020 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 4 . 951 . 1 1 11 THR CG2 C 13.677 1.565 3.391 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 4 . 952 . 1 1 11 THR H H 11.314 3.195 3.746 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 4 . 953 . 1 1 11 THR HA H 11.837 2.979 0.854 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 4 . 954 . 1 1 11 THR HB H 14.053 3.108 1.956 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 4 . 955 . 1 1 11 THR HG1 H 13.073 0.903 0.634 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 4 . 956 . 1 1 11 THR HG21 H 13.190 0.602 3.420 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 4 . 957 . 1 1 11 THR HG22 H 13.262 2.203 4.157 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 4 . 958 . 1 1 11 THR HG23 H 14.736 1.437 3.567 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 4 . 959 . 1 1 11 THR N N 11.571 3.520 2.858 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 4 . 960 . 1 1 11 THR O O 10.657 0.968 3.046 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 4 . 961 . 1 1 11 THR OG1 O 13.864 1.302 1.005 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 4 . 962 . 1 1 12 ILE C C 10.544 -1.631 -0.214 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 4 . 963 . 1 1 12 ILE CA C 10.149 -0.663 0.898 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 4 . 964 . 1 1 12 ILE CB C 8.662 -0.310 0.775 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 4 . 965 . 1 1 12 ILE CD1 C 6.328 -1.217 0.787 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 4 . 966 . 1 1 12 ILE CG1 C 7.811 -1.584 0.860 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 4 . 967 . 1 1 12 ILE CG2 C 8.412 0.377 -0.572 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 4 . 968 . 1 1 12 ILE H H 11.363 0.860 0.004 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 4 . 969 . 1 1 12 ILE HA H 10.312 -1.152 1.848 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 4 . 970 . 1 1 12 ILE HB H 8.387 0.362 1.575 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 4 . 971 . 1 1 12 ILE HD11 H 6.109 -0.794 -0.183 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 4 . 972 . 1 1 12 ILE HD12 H 6.097 -0.493 1.555 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 4 . 973 . 1 1 12 ILE HD13 H 5.730 -2.104 0.936 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 4 . 974 . 1 1 12 ILE HG12 H 8.057 -2.242 0.040 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 4 . 975 . 1 1 12 ILE HG13 H 8.009 -2.087 1.795 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 4 . 976 . 1 1 12 ILE HG21 H 9.192 1.099 -0.760 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 4 . 977 . 1 1 12 ILE HG22 H 7.455 0.880 -0.548 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 4 . 978 . 1 1 12 ILE HG23 H 8.409 -0.362 -1.360 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 4 . 979 . 1 1 12 ILE N N 10.957 0.566 0.854 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 4 . 980 . 1 1 12 ILE O O 10.851 -1.213 -1.330 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 4 . 981 . 1 1 13 ARG C C 10.576 -5.367 -0.321 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 4 . 982 . 1 1 13 ARG CA C 10.899 -3.960 -0.858 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 4 . 983 . 1 1 13 ARG CB C 12.347 -3.773 -1.325 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 4 . 984 . 1 1 13 ARG CD C 13.453 -5.239 0.387 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 4 . 985 . 1 1 13 ARG CG C 13.376 -3.842 -0.189 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 4 . 986 . 1 1 13 ARG CZ C 14.612 -6.147 -1.548 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 4 . 987 . 1 1 13 ARG H H 10.280 -3.193 1.018 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 4 . 988 . 1 1 13 ARG HA H 10.264 -3.810 -1.722 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 4 . 989 . 1 1 13 ARG HB2 H 12.577 -4.541 -2.045 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 990 . 1 1 13 ARG HB3 H 12.434 -2.817 -1.816 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 991 . 1 1 13 ARG HD2 H 14.324 -5.302 1.024 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 4 . 992 . 1 1 13 ARG HD3 H 12.585 -5.437 0.969 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 4 . 993 . 1 1 13 ARG HE H 12.906 -6.885 -0.832 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 4 . 994 . 1 1 13 ARG HG2 H 14.335 -3.541 -0.552 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 4 . 995 . 1 1 13 ARG HG3 H 13.066 -3.176 0.602 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 4 . 996 . 1 1 13 ARG HH11 H 15.533 -4.673 -0.567 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 4 . 997 . 1 1 13 ARG HH12 H 16.340 -5.249 -1.972 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 4 . 998 . 1 1 13 ARG HH21 H 13.954 -7.656 -2.685 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 4 . 999 . 1 1 13 ARG HH22 H 15.449 -6.939 -3.182 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 4 . 1000 . 1 1 13 ARG N N 10.533 -2.929 0.109 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 4 . 1001 . 1 1 13 ARG NE N 13.592 -6.200 -0.706 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 4 . 1002 . 1 1 13 ARG NH1 N 15.568 -5.286 -1.352 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 4 . 1003 . 1 1 13 ARG NH2 N 14.676 -6.978 -2.551 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 4 . 1004 . 1 1 13 ARG O O 9.872 -5.492 0.681 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 4 . 1005 . 1 1 14 GLU C C 11.176 -8.093 0.841 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 4 . 1006 . 1 1 14 GLU CA C 10.696 -7.797 -0.586 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 4 . 1007 . 1 1 14 GLU CB C 11.348 -8.804 -1.545 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 4 . 1008 . 1 1 14 GLU CD C 9.344 -8.858 -3.127 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 4 . 1009 . 1 1 14 GLU CG C 10.851 -8.617 -2.993 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 4 . 1010 . 1 1 14 GLU H H 11.570 -6.289 -1.818 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 4 . 1011 . 1 1 14 GLU HA H 9.631 -7.918 -0.611 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 4 . 1012 . 1 1 14 GLU HB2 H 12.419 -8.670 -1.522 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 1013 . 1 1 14 GLU HB3 H 11.114 -9.809 -1.220 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 1014 . 1 1 14 GLU HG2 H 11.072 -7.609 -3.312 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 4 . 1015 . 1 1 14 GLU HG3 H 11.377 -9.309 -3.635 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 4 . 1016 . 1 1 14 GLU N N 11.029 -6.425 -1.008 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 4 . 1017 . 1 1 14 GLU O O 10.444 -8.684 1.636 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 4 . 1018 . 1 1 14 GLU OE1 O 8.576 -8.127 -2.529 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 4 . 1019 . 1 1 14 GLU OE2 O 8.982 -9.783 -3.836 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 4 . 1020 . 1 1 15 LYS C C 12.995 -9.317 2.843 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 4 . 1021 . 1 1 15 LYS CA C 12.953 -7.836 2.469 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 4 . 1022 . 1 1 15 LYS CB C 12.130 -7.043 3.475 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 4 . 1023 . 1 1 15 LYS CD C 11.972 -6.413 5.916 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 4 . 1024 . 1 1 15 LYS CE C 11.908 -4.899 5.640 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 4 . 1025 . 1 1 15 LYS CG C 12.777 -7.169 4.847 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 4 . 1026 . 1 1 15 LYS H H 12.895 -7.181 0.515 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 4 . 1027 . 1 1 15 LYS HA H 13.961 -7.438 2.461 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 4 . 1028 . 1 1 15 LYS HB2 H 12.118 -6.012 3.167 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 4 . 1029 . 1 1 15 LYS HB3 H 11.123 -7.428 3.510 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 4 . 1030 . 1 1 15 LYS HD2 H 10.969 -6.807 5.927 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 4 . 1031 . 1 1 15 LYS HD3 H 12.429 -6.580 6.878 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 4 . 1032 . 1 1 15 LYS HE2 H 11.394 -4.703 4.716 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 4 . 1033 . 1 1 15 LYS HE3 H 11.368 -4.420 6.445 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 4 . 1034 . 1 1 15 LYS HG2 H 12.832 -8.210 5.120 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 4 . 1035 . 1 1 15 LYS HG3 H 13.774 -6.766 4.792 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 4 . 1036 . 1 1 15 LYS HZ1 H 13.908 -4.868 6.229 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 4 . 1037 . 1 1 15 LYS HZ2 H 13.265 -3.336 5.875 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 4 . 1038 . 1 1 15 LYS HZ3 H 13.656 -4.406 4.616 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 4 . 1039 . 1 1 15 LYS N N 12.382 -7.656 1.161 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 4 . 1040 . 1 1 15 LYS NZ N 13.289 -4.336 5.586 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 4 . 1041 . 1 1 15 LYS O O 11.962 -9.987 2.869 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 4 . 1042 . 1 1 16 NH2 HN1 H 14.960 -9.341 3.118 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 4 . 1043 . 1 1 16 NH2 HN2 H 14.174 -10.823 3.380 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 4 . 1044 . 1 1 16 NH2 N N 14.138 -9.874 3.139 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 5 . 1045 . 1 1 1 NH2 HN1 H 21.286 -5.564 -1.294 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 5 . 1046 . 1 1 1 NH2 HN2 H 21.676 -6.711 -2.483 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 5 . 1047 . 1 1 1 NH2 N N 21.028 -6.322 -1.860 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 5 . 1048 . 1 1 2 GLN C C 19.822 -6.815 -1.779 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 5 . 1049 . 1 1 2 GLN CA C 18.824 -6.202 -0.799 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 5 . 1050 . 1 1 2 GLN CB C 18.453 -7.245 0.255 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 5 . 1051 . 1 1 2 GLN CD C 17.975 -5.386 1.864 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 5 . 1052 . 1 1 2 GLN CG C 17.425 -6.646 1.206 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 5 . 1053 . 1 1 2 GLN H H 16.742 -6.113 -1.290 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 5 . 1054 . 1 1 2 GLN HA H 19.295 -5.360 -0.317 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 5 . 1055 . 1 1 2 GLN HB2 H 18.035 -8.116 -0.230 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1056 . 1 1 2 GLN HB3 H 19.334 -7.529 0.810 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1057 . 1 1 2 GLN HE21 H 16.557 -4.215 1.099 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 5 . 1058 . 1 1 2 GLN HE22 H 17.707 -3.430 2.079 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 5 . 1059 . 1 1 2 GLN HG2 H 16.542 -6.403 0.649 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1060 . 1 1 2 GLN HG3 H 17.179 -7.368 1.968 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 5 . 1061 . 1 1 2 GLN N N 17.635 -5.739 -1.513 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 5 . 1062 . 1 1 2 GLN NE2 N 17.365 -4.248 1.666 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 5 . 1063 . 1 1 2 GLN O O 19.497 -7.766 -2.488 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 5 . 1064 . 1 1 2 GLN OE1 O 18.992 -5.435 2.555 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 5 . 1065 . 1 1 3 LYS C C 17.755 -4.815 -2.463 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 5 . 1066 . 1 1 3 LYS CA C 16.479 -4.383 -3.178 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 5 . 1067 . 1 1 3 LYS CB C 16.630 -4.750 -4.658 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 5 . 1068 . 1 1 3 LYS CD C 15.461 -4.776 -6.917 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 5 . 1069 . 1 1 3 LYS CE C 15.783 -6.258 -7.176 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 5 . 1070 . 1 1 3 LYS CG C 15.325 -4.468 -5.410 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 5 . 1071 . 1 1 3 LYS H H 15.407 -2.575 -3.496 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 5 . 1072 . 1 1 3 LYS HA H 15.651 -4.945 -2.773 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 5 . 1073 . 1 1 3 LYS HB2 H 17.432 -4.171 -5.092 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1074 . 1 1 3 LYS HB3 H 16.867 -5.796 -4.720 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1075 . 1 1 3 LYS HD2 H 14.534 -4.528 -7.411 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 5 . 1076 . 1 1 3 LYS HD3 H 16.251 -4.167 -7.330 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 5 . 1077 . 1 1 3 LYS HE2 H 15.815 -6.425 -8.243 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 5 . 1078 . 1 1 3 LYS HE3 H 16.738 -6.517 -6.756 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 5 . 1079 . 1 1 3 LYS HG2 H 14.538 -5.076 -4.994 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1080 . 1 1 3 LYS HG3 H 15.069 -3.429 -5.290 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 5 . 1081 . 1 1 3 LYS HZ1 H 13.795 -6.641 -6.689 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 5 . 1082 . 1 1 3 LYS HZ2 H 14.916 -7.273 -5.578 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 5 . 1083 . 1 1 3 LYS HZ3 H 14.689 -8.026 -7.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 5 . 1084 . 1 1 3 LYS N N 16.182 -2.937 -3.032 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 5 . 1085 . 1 1 3 LYS NZ N 14.715 -7.115 -6.587 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 5 . 1086 . 1 1 3 LYS O O 18.841 -4.325 -2.776 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 5 . 1087 . 1 1 4 PHE C C 16.934 -2.090 -2.314 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 5 . 1088 . 1 1 4 PHE CA C 16.474 -0.626 -2.301 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 5 . 1089 . 1 1 4 PHE CB C 16.834 0.082 -0.985 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 5 . 1090 . 1 1 4 PHE CD1 C 16.035 -1.749 0.583 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 5 . 1091 . 1 1 4 PHE CD2 C 14.929 0.398 0.633 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 5 . 1092 . 1 1 4 PHE CE1 C 15.142 -2.222 1.544 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 5 . 1093 . 1 1 4 PHE CE2 C 14.046 -0.082 1.607 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 5 . 1094 . 1 1 4 PHE CG C 15.935 -0.434 0.122 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 5 . 1095 . 1 1 4 PHE CZ C 14.152 -1.393 2.058 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 5 . 1096 . 1 1 4 PHE H H 14.411 -1.045 -1.985 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 5 . 1097 . 1 1 4 PHE HA H 16.984 -0.119 -3.098 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 5 . 1098 . 1 1 4 PHE HB2 H 17.865 -0.126 -0.738 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1099 . 1 1 4 PHE HB3 H 16.699 1.146 -1.100 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1100 . 1 1 4 PHE HD1 H 16.803 -2.396 0.211 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 5 . 1101 . 1 1 4 PHE HD2 H 14.846 1.416 0.282 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 5 . 1102 . 1 1 4 PHE HE1 H 15.227 -3.221 1.894 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 5 . 1103 . 1 1 4 PHE HE2 H 13.279 0.555 2.007 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 5 . 1104 . 1 1 4 PHE HZ H 13.444 -1.775 2.785 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 5 . 1105 . 1 1 4 PHE N N 15.023 -0.474 -2.499 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 5 . 1106 . 1 1 4 PHE O O 17.957 -2.420 -1.715 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 5 . 1107 . 1 1 5 ILE C C 14.513 0.445 -3.329 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 5 . 1108 . 1 1 5 ILE CA C 12.984 0.521 -3.409 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 5 . 1109 . 1 1 5 ILE CB C 12.442 -0.507 -4.416 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 5 . 1110 . 1 1 5 ILE CD1 C 12.244 -2.961 -4.929 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 5 . 1111 . 1 1 5 ILE CG1 C 12.815 -1.920 -3.957 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 5 . 1112 . 1 1 5 ILE CG2 C 13.053 -0.249 -5.803 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1113 . 1 1 5 ILE H H 12.712 2.141 -4.748 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 5 . 1114 . 1 1 5 ILE HA H 12.573 0.301 -2.433 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 5 . 1115 . 1 1 5 ILE HB H 11.365 -0.417 -4.471 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 5 . 1116 . 1 1 5 ILE HD11 H 11.167 -2.880 -4.952 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 5 . 1117 . 1 1 5 ILE HD12 H 12.522 -3.949 -4.599 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 5 . 1118 . 1 1 5 ILE HD13 H 12.639 -2.792 -5.919 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 5 . 1119 . 1 1 5 ILE HG12 H 13.882 -2.009 -3.928 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 5 . 1120 . 1 1 5 ILE HG13 H 12.413 -2.094 -2.971 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 5 . 1121 . 1 1 5 ILE HG21 H 14.123 -0.387 -5.758 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 5 . 1122 . 1 1 5 ILE HG22 H 12.833 0.758 -6.119 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 5 . 1123 . 1 1 5 ILE HG23 H 12.635 -0.944 -6.517 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 5 . 1124 . 1 1 5 ILE N N 12.560 1.863 -3.827 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 5 . 1125 . 1 1 5 ILE O O 15.215 1.221 -3.978 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 5 . 1126 . 1 1 6 ARG C C 11.947 2.710 -2.997 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 5 . 1127 . 1 1 6 ARG CA C 11.536 4.058 -3.608 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 5 . 1128 . 1 1 6 ARG CB C 12.186 4.208 -4.998 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 5 . 1129 . 1 1 6 ARG CD C 10.281 5.635 -5.918 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 5 . 1130 . 1 1 6 ARG CG C 11.800 5.530 -5.691 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 5 . 1131 . 1 1 6 ARG CZ C 10.179 4.315 -7.966 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 5 . 1132 . 1 1 6 ARG H H 11.151 5.667 -2.293 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 5 . 1133 . 1 1 6 ARG HA H 10.471 4.034 -3.731 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 5 . 1134 . 1 1 6 ARG HB2 H 13.255 4.165 -4.896 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1135 . 1 1 6 ARG HB3 H 11.862 3.387 -5.619 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1136 . 1 1 6 ARG HD2 H 9.764 5.674 -4.977 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 5 . 1137 . 1 1 6 ARG HD3 H 10.078 6.549 -6.458 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 5 . 1138 . 1 1 6 ARG HE H 9.186 3.860 -6.290 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 5 . 1139 . 1 1 6 ARG HG2 H 12.122 6.351 -5.078 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1140 . 1 1 6 ARG HG3 H 12.306 5.586 -6.642 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 5 . 1141 . 1 1 6 ARG HH11 H 11.263 5.995 -8.062 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 5 . 1142 . 1 1 6 ARG HH12 H 11.241 5.036 -9.504 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 5 . 1143 . 1 1 6 ARG HH21 H 9.155 2.608 -8.178 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 5 . 1144 . 1 1 6 ARG HH22 H 10.050 3.123 -9.569 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 5 . 1145 . 1 1 6 ARG N N 11.879 5.186 -2.729 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 5 . 1146 . 1 1 6 ARG NE N 9.796 4.505 -6.706 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 5 . 1147 . 1 1 6 ARG NH1 N 10.955 5.183 -8.557 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 5 . 1148 . 1 1 6 ARG NH2 N 9.762 3.267 -8.623 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 5 . 1149 . 1 1 6 ARG O O 11.688 2.431 -1.822 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 5 . 1150 . 1 1 7 VAL C C 13.135 5.582 -2.493 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 5 . 1151 . 1 1 7 VAL CA C 13.287 6.779 -1.539 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 5 . 1152 . 1 1 7 VAL CB C 13.458 8.076 -2.354 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 5 . 1153 . 1 1 7 VAL CG1 C 12.206 8.345 -3.238 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 5 . 1154 . 1 1 7 VAL CG2 C 13.689 9.257 -1.395 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1155 . 1 1 7 VAL H H 15.231 6.099 -1.011 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 5 . 1156 . 1 1 7 VAL HA H 12.391 6.859 -0.937 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 5 . 1157 . 1 1 7 VAL HB H 14.327 7.969 -2.992 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 5 . 1158 . 1 1 7 VAL HG11 H 12.511 8.487 -4.267 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 5 . 1159 . 1 1 7 VAL HG12 H 11.695 9.238 -2.901 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 5 . 1160 . 1 1 7 VAL HG13 H 11.522 7.513 -3.182 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 5 . 1161 . 1 1 7 VAL HG21 H 14.684 9.197 -0.981 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 5 . 1162 . 1 1 7 VAL HG22 H 12.961 9.223 -0.599 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 5 . 1163 . 1 1 7 VAL HG23 H 13.581 10.184 -1.939 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 5 . 1164 . 1 1 7 VAL N N 14.454 6.588 -0.667 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 5 . 1165 . 1 1 7 VAL O O 14.125 5.040 -2.982 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 5 . 1166 . 1 1 8 . C11 C 17.247 6.736 3.868 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 5 . 1167 . 1 1 8 . C12 C 17.470 7.850 2.859 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 5 . 1168 . 1 1 8 . C13 C 16.192 8.100 2.075 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 5 . 1169 . 1 1 8 . C14 C 15.764 6.824 1.368 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 5 . 1170 . 1 1 8 . C15 C 14.489 7.068 0.556 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 5 . 1171 . 1 1 8 . C7 C 14.423 6.021 3.363 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 5 . 1172 . 1 1 8 . C8 C 15.546 5.701 2.373 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 5 . 1173 . 1 1 8 . C9 C 16.840 5.467 3.137 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 5 . 1174 . 1 1 8 . H111 H 16.453 7.019 4.561 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 5 . 1175 . 1 1 8 . H112 H 18.167 6.557 4.426 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 5 . 1176 . 1 1 8 . H12 H 18.267 7.554 2.177 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 5 . 1177 . 1 1 8 . H14 H 16.557 6.531 0.679 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 5 . 1178 . 1 1 8 . H8 H 15.288 4.786 1.839 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 5 . 1179 . 1 1 8 . H9 H 16.690 4.660 3.854 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 5 . 1180 . 1 1 8 . HAG H 17.762 8.763 3.379 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 5 . 1181 . 1 1 8 . HAI H 17.629 5.189 2.439 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 5 . 1182 . 1 1 8 . HAK H 15.411 8.442 2.754 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 5 . 1183 . 1 1 8 . HAL H 16.385 8.876 1.333 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 5 . 1184 . 1 1 8 . O1 O 14.087 5.176 4.191 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 5 . 1185 . 1 1 8 . OAB O 13.549 7.701 1.032 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 5 . 1186 . 1 1 9 GLY C C 11.476 6.793 3.807 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 5 . 1187 . 1 1 9 GLY CA C 12.746 7.533 4.206 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 5 . 1188 . 1 1 9 GLY H H 14.115 7.826 2.622 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 5 . 1189 . 1 1 9 GLY HA2 H 13.018 7.263 5.217 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 5 . 1190 . 1 1 9 GLY HA3 H 12.565 8.596 4.155 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 5 . 1191 . 1 1 9 GLY N N 13.833 7.182 3.297 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 5 . 1192 . 1 1 9 GLY O O 11.045 5.863 4.490 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 5 . 1193 . 1 1 10 VAL C C 10.071 5.428 1.244 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 5 . 1194 . 1 1 10 VAL CA C 9.687 6.574 2.175 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 5 . 1195 . 1 1 10 VAL CB C 8.855 7.626 1.433 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 5 . 1196 . 1 1 10 VAL CG1 C 8.465 8.734 2.419 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 5 . 1197 . 1 1 10 VAL CG2 C 9.669 8.236 0.263 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1198 . 1 1 10 VAL H H 11.282 7.939 2.177 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 5 . 1199 . 1 1 10 VAL HA H 9.105 6.183 2.999 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 5 . 1200 . 1 1 10 VAL HB H 7.969 7.162 1.051 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 5 . 1201 . 1 1 10 VAL HG11 H 9.355 9.233 2.770 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 5 . 1202 . 1 1 10 VAL HG12 H 7.940 8.301 3.258 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 5 . 1203 . 1 1 10 VAL HG13 H 7.823 9.448 1.923 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 5 . 1204 . 1 1 10 VAL HG21 H 9.387 9.270 0.118 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 5 . 1205 . 1 1 10 VAL HG22 H 9.464 7.690 -0.646 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 5 . 1206 . 1 1 10 VAL HG23 H 10.727 8.183 0.480 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 5 . 1207 . 1 1 10 VAL N N 10.890 7.203 2.685 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 5 . 1208 . 1 1 10 VAL O O 10.101 5.579 0.023 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 5 . 1209 . 1 1 11 THR C C 10.156 1.837 1.572 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 5 . 1210 . 1 1 11 THR CA C 10.823 3.111 1.064 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 5 . 1211 . 1 1 11 THR CB C 12.340 2.974 1.133 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 5 . 1212 . 1 1 11 THR CG2 C 12.992 4.255 0.611 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1213 . 1 1 11 THR H H 10.381 4.225 2.816 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 5 . 1214 . 1 1 11 THR HA H 10.539 3.250 0.031 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 5 . 1215 . 1 1 11 THR HB H 12.651 2.144 0.522 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 5 . 1216 . 1 1 11 THR HG1 H 11.965 2.909 3.041 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 5 . 1217 . 1 1 11 THR HG21 H 12.432 4.627 -0.230 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 5 . 1218 . 1 1 11 THR HG22 H 14.006 4.043 0.303 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 5 . 1219 . 1 1 11 THR HG23 H 13.000 4.997 1.392 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 5 . 1220 . 1 1 11 THR N N 10.400 4.280 1.838 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 5 . 1221 . 1 1 11 THR O O 9.321 1.881 2.477 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 5 . 1222 . 1 1 11 THR OG1 O 12.734 2.767 2.483 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 5 . 1223 . 1 1 12 ILE C C 10.956 -1.693 1.317 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 5 . 1224 . 1 1 12 ILE CA C 9.919 -0.587 1.348 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 5 . 1225 . 1 1 12 ILE CB C 8.736 -0.897 0.416 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 5 . 1226 . 1 1 12 ILE CD1 C 6.860 -2.464 -0.106 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 5 . 1227 . 1 1 12 ILE CG1 C 8.076 -2.229 0.793 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 5 . 1228 . 1 1 12 ILE CG2 C 9.235 -0.977 -1.027 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1229 . 1 1 12 ILE H H 11.178 0.723 0.244 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 5 . 1230 . 1 1 12 ILE HA H 9.562 -0.518 2.361 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 5 . 1231 . 1 1 12 ILE HB H 8.008 -0.101 0.495 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 5 . 1232 . 1 1 12 ILE HD11 H 6.324 -3.338 0.236 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 5 . 1233 . 1 1 12 ILE HD12 H 7.189 -2.618 -1.123 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 5 . 1234 . 1 1 12 ILE HD13 H 6.211 -1.603 -0.065 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 5 . 1235 . 1 1 12 ILE HG12 H 8.778 -3.035 0.646 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 5 . 1236 . 1 1 12 ILE HG13 H 7.761 -2.202 1.824 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 5 . 1237 . 1 1 12 ILE HG21 H 9.816 -1.877 -1.158 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 5 . 1238 . 1 1 12 ILE HG22 H 9.852 -0.116 -1.243 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 5 . 1239 . 1 1 12 ILE HG23 H 8.390 -0.991 -1.700 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 5 . 1240 . 1 1 12 ILE N N 10.511 0.698 0.966 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 5 . 1241 . 1 1 12 ILE O O 12.021 -1.540 0.730 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 5 . 1242 . 1 1 13 ARG C C 11.112 -4.991 1.142 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 5 . 1243 . 1 1 13 ARG CA C 11.564 -3.910 2.122 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 5 . 1244 . 1 1 13 ARG CB C 11.417 -4.417 3.568 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 5 . 1245 . 1 1 13 ARG CD C 12.725 -6.604 3.136 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 5 . 1246 . 1 1 13 ARG CG C 12.534 -5.369 4.027 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 5 . 1247 . 1 1 13 ARG CZ C 14.312 -5.558 1.635 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 5 . 1248 . 1 1 13 ARG H H 9.788 -2.831 2.471 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 5 . 1249 . 1 1 13 ARG HA H 12.577 -3.612 1.924 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 5 . 1250 . 1 1 13 ARG HB2 H 11.408 -3.564 4.228 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1251 . 1 1 13 ARG HB3 H 10.468 -4.927 3.659 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1252 . 1 1 13 ARG HD2 H 13.454 -7.249 3.596 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 5 . 1253 . 1 1 13 ARG HD3 H 11.785 -7.132 3.054 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 5 . 1254 . 1 1 13 ARG HE H 12.644 -6.437 1.018 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 5 . 1255 . 1 1 13 ARG HG2 H 13.454 -4.817 4.064 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1256 . 1 1 13 ARG HG3 H 12.301 -5.701 5.028 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 5 . 1257 . 1 1 13 ARG HH11 H 14.932 -5.862 3.513 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 5 . 1258 . 1 1 13 ARG HH12 H 15.994 -4.937 2.517 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 5 . 1259 . 1 1 13 ARG HH21 H 14.000 -5.223 -0.314 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 5 . 1260 . 1 1 13 ARG HH22 H 15.472 -4.576 0.331 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 5 . 1261 . 1 1 13 ARG N N 10.644 -2.792 1.999 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 5 . 1262 . 1 1 13 ARG NE N 13.187 -6.224 1.801 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 5 . 1263 . 1 1 13 ARG NH1 N 15.147 -5.444 2.631 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 5 . 1264 . 1 1 13 ARG NH2 N 14.619 -5.082 0.458 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 5 . 1265 . 1 1 13 ARG O O 10.106 -5.664 1.360 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 5 . 1266 . 1 1 14 GLU C C 12.138 -7.488 -0.649 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 5 . 1267 . 1 1 14 GLU CA C 11.545 -6.117 -0.980 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 5 . 1268 . 1 1 14 GLU CB C 12.080 -5.628 -2.335 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 5 . 1269 . 1 1 14 GLU CD C 10.228 -6.813 -3.548 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 5 . 1270 . 1 1 14 GLU CG C 11.740 -6.634 -3.443 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 5 . 1271 . 1 1 14 GLU H H 12.656 -4.561 -0.069 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 5 . 1272 . 1 1 14 GLU HA H 10.473 -6.209 -1.042 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 5 . 1273 . 1 1 14 GLU HB2 H 11.635 -4.671 -2.571 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1274 . 1 1 14 GLU HB3 H 13.153 -5.515 -2.274 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1275 . 1 1 14 GLU HG2 H 12.120 -6.265 -4.384 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1276 . 1 1 14 GLU HG3 H 12.199 -7.586 -3.224 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 5 . 1277 . 1 1 14 GLU N N 11.868 -5.133 0.048 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 5 . 1278 . 1 1 14 GLU O O 11.426 -8.492 -0.679 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 5 . 1279 . 1 1 14 GLU OE1 O 9.551 -5.829 -3.795 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 5 . 1280 . 1 1 14 GLU OE2 O 9.770 -7.931 -3.379 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 5 . 1281 . 1 1 15 LYS C C 13.472 -9.982 -0.546 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 5 . 1282 . 1 1 15 LYS CA C 14.160 -8.734 0.010 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 5 . 1283 . 1 1 15 LYS CB C 14.294 -8.816 1.524 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 5 . 1284 . 1 1 15 LYS CD C 15.231 -10.220 3.412 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 5 . 1285 . 1 1 15 LYS CE C 16.086 -9.089 3.996 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 5 . 1286 . 1 1 15 LYS CG C 15.069 -10.081 1.891 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 5 . 1287 . 1 1 15 LYS H H 13.940 -6.675 -0.319 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 5 . 1288 . 1 1 15 LYS HA H 15.154 -8.677 -0.403 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 5 . 1289 . 1 1 15 LYS HB2 H 14.826 -7.947 1.864 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 5 . 1290 . 1 1 15 LYS HB3 H 13.314 -8.843 1.970 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 5 . 1291 . 1 1 15 LYS HD2 H 14.254 -10.190 3.870 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 5 . 1292 . 1 1 15 LYS HD3 H 15.696 -11.168 3.633 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 5 . 1293 . 1 1 15 LYS HE2 H 17.057 -9.087 3.526 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 5 . 1294 . 1 1 15 LYS HE3 H 15.608 -8.139 3.845 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 5 . 1295 . 1 1 15 LYS HG2 H 14.545 -10.944 1.518 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 5 . 1296 . 1 1 15 LYS HG3 H 16.042 -10.028 1.433 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 5 . 1297 . 1 1 15 LYS HZ1 H 15.866 -10.247 5.700 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 5 . 1298 . 1 1 15 LYS HZ2 H 15.726 -8.577 5.972 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 5 . 1299 . 1 1 15 LYS HZ3 H 17.252 -9.271 5.701 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 5 . 1300 . 1 1 15 LYS N N 13.443 -7.510 -0.331 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 5 . 1301 . 1 1 15 LYS NZ N 16.245 -9.313 5.453 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 5 . 1302 . 1 1 15 LYS O O 12.662 -10.608 0.139 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 5 . 1303 . 1 1 16 NH2 HN1 H 14.391 -9.883 -2.304 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 5 . 1304 . 1 1 16 NH2 HN2 H 13.309 -11.178 -2.123 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 5 . 1305 . 1 1 16 NH2 N N 13.747 -10.381 -1.759 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 6 . 1306 . 1 1 1 NH2 HN1 H 15.445 -7.649 -0.803 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 6 . 1307 . 1 1 1 NH2 HN2 H 15.664 -9.316 -0.571 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 6 . 1308 . 1 1 1 NH2 N N 16.029 -8.437 -0.802 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 6 . 1309 . 1 1 2 GLN C C 17.290 -8.313 -1.112 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 6 . 1310 . 1 1 2 GLN CA C 17.842 -6.939 -1.472 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 6 . 1311 . 1 1 2 GLN CB C 18.128 -6.067 -0.250 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 6 . 1312 . 1 1 2 GLN CD C 18.388 -7.916 1.454 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 6 . 1313 . 1 1 2 GLN CG C 19.066 -6.763 0.707 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 6 . 1314 . 1 1 2 GLN H H 16.207 -5.714 -1.783 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 6 . 1315 . 1 1 2 GLN HA H 18.759 -7.064 -2.032 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 6 . 1316 . 1 1 2 GLN HB2 H 18.577 -5.140 -0.576 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1317 . 1 1 2 GLN HB3 H 17.200 -5.852 0.256 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1318 . 1 1 2 GLN HE21 H 16.540 -7.416 0.896 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 6 . 1319 . 1 1 2 GLN HE22 H 16.655 -8.792 1.885 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 6 . 1320 . 1 1 2 GLN HG2 H 19.887 -7.148 0.136 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1321 . 1 1 2 GLN HG3 H 19.425 -6.042 1.406 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 6 . 1322 . 1 1 2 GLN N N 16.893 -6.216 -2.258 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 6 . 1323 . 1 1 2 GLN NE2 N 17.087 -8.054 1.408 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 6 . 1324 . 1 1 2 GLN O O 18.024 -9.301 -1.112 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 6 . 1325 . 1 1 2 GLN OE1 O 19.053 -8.645 2.190 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 6 . 1326 . 1 1 3 LYS C C 16.914 -6.207 -3.582 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 6 . 1327 . 1 1 3 LYS CA C 15.804 -5.386 -4.214 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 6 . 1328 . 1 1 3 LYS CB C 15.342 -5.979 -5.542 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 6 . 1329 . 1 1 3 LYS CD C 15.957 -6.455 -7.963 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 6 . 1330 . 1 1 3 LYS CE C 14.581 -5.968 -8.446 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 6 . 1331 . 1 1 3 LYS CG C 16.388 -5.767 -6.649 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 6 . 1332 . 1 1 3 LYS H H 17.066 -3.729 -4.644 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 6 . 1333 . 1 1 3 LYS HA H 14.967 -5.443 -3.534 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 6 . 1334 . 1 1 3 LYS HB2 H 15.150 -7.035 -5.420 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1335 . 1 1 3 LYS HB3 H 14.437 -5.473 -5.809 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1336 . 1 1 3 LYS HD2 H 16.689 -6.243 -8.726 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 6 . 1337 . 1 1 3 LYS HD3 H 15.916 -7.522 -7.803 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 6 . 1338 . 1 1 3 LYS HE2 H 14.596 -4.894 -8.544 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 6 . 1339 . 1 1 3 LYS HE3 H 14.362 -6.412 -9.407 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 6 . 1340 . 1 1 3 LYS HG2 H 16.502 -4.710 -6.829 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1341 . 1 1 3 LYS HG3 H 17.334 -6.173 -6.341 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 6 . 1342 . 1 1 3 LYS HZ1 H 13.114 -5.504 -7.040 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 6 . 1343 . 1 1 3 LYS HZ2 H 13.947 -6.948 -6.718 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 6 . 1344 . 1 1 3 LYS HZ3 H 12.778 -6.894 -7.954 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 6 . 1345 . 1 1 3 LYS N N 16.158 -3.974 -4.373 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 6 . 1346 . 1 1 3 LYS NZ N 13.523 -6.359 -7.469 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 6 . 1347 . 1 1 3 LYS O O 17.746 -6.818 -4.249 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 6 . 1348 . 1 1 4 PHE C C 15.259 -3.019 -4.141 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 6 . 1349 . 1 1 4 PHE CA C 15.708 -1.577 -4.317 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 6 . 1350 . 1 1 4 PHE CB C 16.962 -1.269 -3.495 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 6 . 1351 . 1 1 4 PHE CD1 C 16.403 -2.707 -1.488 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 6 . 1352 . 1 1 4 PHE CD2 C 16.399 -0.297 -1.252 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 6 . 1353 . 1 1 4 PHE CE1 C 15.986 -2.833 -0.163 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 6 . 1354 . 1 1 4 PHE CE2 C 15.993 -0.425 0.076 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 6 . 1355 . 1 1 4 PHE CG C 16.617 -1.436 -2.035 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 6 . 1356 . 1 1 4 PHE CZ C 15.784 -1.689 0.617 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 6 . 1357 . 1 1 4 PHE H H 14.160 -0.934 -3.033 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 6 . 1358 . 1 1 4 PHE HA H 15.910 -1.391 -5.357 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 6 . 1359 . 1 1 4 PHE HB2 H 17.750 -1.958 -3.766 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1360 . 1 1 4 PHE HB3 H 17.282 -0.255 -3.684 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1361 . 1 1 4 PHE HD1 H 16.580 -3.588 -2.077 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 6 . 1362 . 1 1 4 PHE HD2 H 16.561 0.677 -1.672 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 6 . 1363 . 1 1 4 PHE HE1 H 15.827 -3.814 0.258 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 6 . 1364 . 1 1 4 PHE HE2 H 15.829 0.454 0.683 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 6 . 1365 . 1 1 4 PHE HZ H 15.453 -1.781 1.631 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 6 . 1366 . 1 1 4 PHE N N 14.652 -0.688 -3.847 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 6 . 1367 . 1 1 4 PHE O O 14.106 -3.269 -3.789 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 6 . 1368 . 1 1 5 ILE C C 14.349 0.453 -4.452 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 6 . 1369 . 1 1 5 ILE CA C 13.237 1.251 -3.782 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 6 . 1370 . 1 1 5 ILE CB C 11.946 1.158 -4.620 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 6 . 1371 . 1 1 5 ILE CD1 C 12.471 3.255 -6.007 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 6 . 1372 . 1 1 5 ILE CG1 C 12.120 1.758 -6.034 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 6 . 1373 . 1 1 5 ILE CG2 C 10.812 1.888 -3.891 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1374 . 1 1 5 ILE H H 13.777 3.221 -4.337 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 6 . 1375 . 1 1 5 ILE HA H 13.041 0.797 -2.822 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 6 . 1376 . 1 1 5 ILE HB H 11.677 0.113 -4.713 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 6 . 1377 . 1 1 5 ILE HD11 H 12.145 3.705 -5.082 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 6 . 1378 . 1 1 5 ILE HD12 H 11.973 3.747 -6.831 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 6 . 1379 . 1 1 5 ILE HD13 H 13.538 3.378 -6.120 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 6 . 1380 . 1 1 5 ILE HG12 H 12.906 1.224 -6.543 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 6 . 1381 . 1 1 5 ILE HG13 H 11.199 1.624 -6.582 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 6 . 1382 . 1 1 5 ILE HG21 H 9.900 1.799 -4.462 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 6 . 1383 . 1 1 5 ILE HG22 H 11.067 2.932 -3.783 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 6 . 1384 . 1 1 5 ILE HG23 H 10.670 1.450 -2.914 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 6 . 1385 . 1 1 5 ILE N N 13.660 2.637 -3.570 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 6 . 1386 . 1 1 5 ILE O O 14.929 0.868 -5.455 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 6 . 1387 . 1 1 6 ARG C C 13.904 3.124 -2.350 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 6 . 1388 . 1 1 6 ARG CA C 14.338 4.595 -2.311 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 6 . 1389 . 1 1 6 ARG CB C 15.734 4.735 -1.684 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 6 . 1390 . 1 1 6 ARG CD C 16.932 4.308 -3.884 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 6 . 1391 . 1 1 6 ARG CG C 16.782 3.879 -2.419 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 6 . 1392 . 1 1 6 ARG CZ C 18.285 3.700 -5.807 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 6 . 1393 . 1 1 6 ARG H H 12.674 4.943 -1.069 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 6 . 1394 . 1 1 6 ARG HA H 14.361 4.980 -3.314 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 6 . 1395 . 1 1 6 ARG HB2 H 16.037 5.770 -1.725 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1396 . 1 1 6 ARG HB3 H 15.688 4.425 -0.652 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1397 . 1 1 6 ARG HD2 H 16.010 4.135 -4.409 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 6 . 1398 . 1 1 6 ARG HD3 H 17.185 5.357 -3.930 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 6 . 1399 . 1 1 6 ARG HE H 18.465 2.850 -4.004 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 6 . 1400 . 1 1 6 ARG HG2 H 17.734 3.985 -1.921 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1401 . 1 1 6 ARG HG3 H 16.480 2.849 -2.384 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 6 . 1402 . 1 1 6 ARG HH11 H 16.920 5.134 -6.094 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 6 . 1403 . 1 1 6 ARG HH12 H 17.875 4.721 -7.478 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 6 . 1404 . 1 1 6 ARG HH21 H 19.721 2.304 -5.814 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 6 . 1405 . 1 1 6 ARG HH22 H 19.461 3.119 -7.320 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 6 . 1406 . 1 1 6 ARG N N 13.386 5.392 -1.559 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 6 . 1407 . 1 1 6 ARG NE N 17.979 3.521 -4.526 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 6 . 1408 . 1 1 6 ARG NH1 N 17.643 4.587 -6.515 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 6 . 1409 . 1 1 6 ARG NH2 N 19.230 2.985 -6.356 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 6 . 1410 . 1 1 6 ARG O O 13.796 2.448 -1.313 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 6 . 1411 . 1 1 7 VAL C C 13.473 6.719 -1.525 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 6 . 1412 . 1 1 7 VAL CA C 12.416 7.439 -0.693 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 6 . 1413 . 1 1 7 VAL CB C 11.766 8.560 -1.522 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 6 . 1414 . 1 1 7 VAL CG1 C 10.675 9.249 -0.686 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 6 . 1415 . 1 1 7 VAL CG2 C 12.830 9.594 -1.945 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1416 . 1 1 7 VAL H H 13.816 8.564 0.445 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 6 . 1417 . 1 1 7 VAL HA H 11.651 6.721 -0.427 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 6 . 1418 . 1 1 7 VAL HB H 11.314 8.128 -2.405 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 6 . 1419 . 1 1 7 VAL HG11 H 9.993 9.766 -1.345 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 6 . 1420 . 1 1 7 VAL HG12 H 11.128 9.958 -0.011 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 6 . 1421 . 1 1 7 VAL HG13 H 10.131 8.510 -0.116 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 6 . 1422 . 1 1 7 VAL HG21 H 13.296 9.277 -2.867 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 6 . 1423 . 1 1 7 VAL HG22 H 13.584 9.683 -1.176 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 6 . 1424 . 1 1 7 VAL HG23 H 12.363 10.558 -2.099 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 6 . 1425 . 1 1 7 VAL N N 13.020 8.000 0.525 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 6 . 1426 . 1 1 7 VAL O O 14.350 7.349 -2.114 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 6 . 1427 . 1 1 8 . C11 C 12.506 11.197 2.618 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 6 . 1428 . 1 1 8 . C12 C 13.542 10.543 1.718 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 6 . 1429 . 1 1 8 . C13 C 14.240 9.421 2.470 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 6 . 1430 . 1 1 8 . C14 C 13.225 8.384 2.926 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 6 . 1431 . 1 1 8 . C15 C 12.524 7.761 1.716 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 6 . 1432 . 1 1 8 . C7 C 11.178 8.016 4.306 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 6 . 1433 . 1 1 8 . C8 C 12.200 9.050 3.831 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 6 . 1434 . 1 1 8 . C9 C 11.491 10.161 3.073 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 6 . 1435 . 1 1 8 . H111 H 11.989 11.986 2.071 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 6 . 1436 . 1 1 8 . H112 H 13.000 11.627 3.490 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 6 . 1437 . 1 1 8 . H12 H 14.274 11.294 1.421 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 6 . 1438 . 1 1 8 . H14 H 13.742 7.600 3.479 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 6 . 1439 . 1 1 8 . H8 H 12.705 9.477 4.698 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 6 . 1440 . 1 1 8 . H9 H 10.984 9.735 2.206 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 6 . 1441 . 1 1 8 . HAG H 13.056 10.143 0.828 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 6 . 1442 . 1 1 8 . HAI H 10.758 10.637 3.723 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 6 . 1443 . 1 1 8 . HAK H 14.974 8.947 1.819 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 6 . 1444 . 1 1 8 . HAL H 14.746 9.841 3.338 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 6 . 1445 . 1 1 8 . O1 O 11.376 7.377 5.338 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 6 . 1446 . 1 1 8 . OAB O 11.531 7.053 1.875 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 6 . 1447 . 1 1 9 GLY C C 8.930 5.773 2.908 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 6 . 1448 . 1 1 9 GLY CA C 9.047 6.894 3.939 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 6 . 1449 . 1 1 9 GLY H H 9.990 8.392 2.765 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 6 . 1450 . 1 1 9 GLY HA2 H 9.259 6.458 4.908 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 6 . 1451 . 1 1 9 GLY HA3 H 8.104 7.417 3.991 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 6 . 1452 . 1 1 9 GLY N N 10.100 7.853 3.577 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 6 . 1453 . 1 1 9 GLY O O 8.598 4.639 3.254 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 6 . 1454 . 1 1 10 VAL C C 10.402 4.340 0.392 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 6 . 1455 . 1 1 10 VAL CA C 9.085 5.088 0.572 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 6 . 1456 . 1 1 10 VAL CB C 8.662 5.762 -0.744 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 6 . 1457 . 1 1 10 VAL CG1 C 8.530 4.714 -1.877 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 6 . 1458 . 1 1 10 VAL CG2 C 7.318 6.467 -0.524 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1459 . 1 1 10 VAL H H 9.437 7.011 1.411 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 6 . 1460 . 1 1 10 VAL HA H 8.329 4.370 0.847 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 6 . 1461 . 1 1 10 VAL HB H 9.406 6.493 -1.022 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 6 . 1462 . 1 1 10 VAL HG11 H 9.454 4.665 -2.436 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 6 . 1463 . 1 1 10 VAL HG12 H 7.731 4.997 -2.549 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 6 . 1464 . 1 1 10 VAL HG13 H 8.314 3.742 -1.457 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 6 . 1465 . 1 1 10 VAL HG21 H 6.618 5.776 -0.078 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 6 . 1466 . 1 1 10 VAL HG22 H 6.931 6.810 -1.473 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 6 . 1467 . 1 1 10 VAL HG23 H 7.459 7.313 0.133 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 6 . 1468 . 1 1 10 VAL N N 9.186 6.091 1.637 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 6 . 1469 . 1 1 10 VAL O O 10.708 3.838 -0.688 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 6 . 1470 . 1 1 11 THR C C 12.398 2.385 2.469 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 6 . 1471 . 1 1 11 THR CA C 12.446 3.519 1.460 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 6 . 1472 . 1 1 11 THR CB C 13.595 4.469 1.807 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 6 . 1473 . 1 1 11 THR CG2 C 14.922 3.701 1.818 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1474 . 1 1 11 THR H H 10.849 4.640 2.311 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 6 . 1475 . 1 1 11 THR HA H 12.614 3.106 0.483 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 6 . 1476 . 1 1 11 THR HB H 13.426 4.893 2.785 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 6 . 1477 . 1 1 11 THR HG1 H 14.037 6.286 1.271 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 6 . 1478 . 1 1 11 THR HG21 H 14.933 2.980 1.012 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 6 . 1479 . 1 1 11 THR HG22 H 15.032 3.186 2.761 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 6 . 1480 . 1 1 11 THR HG23 H 15.740 4.394 1.690 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 6 . 1481 . 1 1 11 THR N N 11.166 4.241 1.476 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 6 . 1482 . 1 1 11 THR O O 12.150 2.627 3.650 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 6 . 1483 . 1 1 11 THR OG1 O 13.652 5.514 0.847 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 6 . 1484 . 1 1 12 ILE C C 13.018 -1.300 2.312 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 6 . 1485 . 1 1 12 ILE CA C 12.556 0.015 2.951 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 6 . 1486 . 1 1 12 ILE CB C 11.100 -0.120 3.438 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 6 . 1487 . 1 1 12 ILE CD1 C 11.816 -0.926 5.719 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 6 . 1488 . 1 1 12 ILE CG1 C 10.949 -1.234 4.488 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 6 . 1489 . 1 1 12 ILE CG2 C 10.202 -0.448 2.245 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1490 . 1 1 12 ILE H H 12.809 0.996 1.056 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 6 . 1491 . 1 1 12 ILE HA H 13.193 0.229 3.791 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 6 . 1492 . 1 1 12 ILE HB H 10.780 0.817 3.866 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 6 . 1493 . 1 1 12 ILE HD11 H 12.826 -1.262 5.549 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 6 . 1494 . 1 1 12 ILE HD12 H 11.409 -1.439 6.578 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 6 . 1495 . 1 1 12 ILE HD13 H 11.817 0.139 5.907 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 6 . 1496 . 1 1 12 ILE HG12 H 9.914 -1.289 4.792 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 6 . 1497 . 1 1 12 ILE HG13 H 11.241 -2.178 4.065 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 6 . 1498 . 1 1 12 ILE HG21 H 10.418 -1.446 1.895 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 6 . 1499 . 1 1 12 ILE HG22 H 10.387 0.261 1.451 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 6 . 1500 . 1 1 12 ILE HG23 H 9.166 -0.388 2.545 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 6 . 1501 . 1 1 12 ILE N N 12.619 1.146 2.013 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 6 . 1502 . 1 1 12 ILE O O 13.058 -1.432 1.088 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 6 . 1503 . 1 1 13 ARG C C 12.733 -4.653 2.985 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 6 . 1504 . 1 1 13 ARG CA C 13.802 -3.603 2.727 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 6 . 1505 . 1 1 13 ARG CB C 15.093 -4.001 3.450 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 6 . 1506 . 1 1 13 ARG CD C 16.874 -5.710 3.654 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 6 . 1507 . 1 1 13 ARG CG C 15.529 -5.402 3.009 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 6 . 1508 . 1 1 13 ARG CZ C 19.119 -4.786 3.598 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 6 . 1509 . 1 1 13 ARG H H 13.290 -2.109 4.125 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 6 . 1510 . 1 1 13 ARG HA H 13.996 -3.576 1.666 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 6 . 1511 . 1 1 13 ARG HB2 H 15.875 -3.297 3.225 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1512 . 1 1 13 ARG HB3 H 14.915 -4.006 4.514 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1513 . 1 1 13 ARG HD2 H 16.797 -5.594 4.724 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 6 . 1514 . 1 1 13 ARG HD3 H 17.163 -6.724 3.421 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 6 . 1515 . 1 1 13 ARG HE H 17.628 -4.187 2.387 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 6 . 1516 . 1 1 13 ARG HG2 H 14.801 -6.131 3.334 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1517 . 1 1 13 ARG HG3 H 15.626 -5.435 1.937 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 6 . 1518 . 1 1 13 ARG HH11 H 18.760 -6.172 4.997 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 6 . 1519 . 1 1 13 ARG HH12 H 20.384 -5.573 4.936 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 6 . 1520 . 1 1 13 ARG HH21 H 19.762 -3.398 2.307 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 6 . 1521 . 1 1 13 ARG HH22 H 20.952 -4.002 3.413 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 6 . 1522 . 1 1 13 ARG N N 13.354 -2.280 3.168 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 6 . 1523 . 1 1 13 ARG NE N 17.872 -4.785 3.135 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 6 . 1524 . 1 1 13 ARG NH1 N 19.446 -5.571 4.587 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 6 . 1525 . 1 1 13 ARG NH2 N 20.014 -4.000 3.065 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 6 . 1526 . 1 1 13 ARG O O 12.148 -4.726 4.065 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 6 . 1527 . 1 1 14 GLU C C 11.541 -7.144 0.586 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 6 . 1528 . 1 1 14 GLU CA C 11.535 -6.539 1.977 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 6 . 1529 . 1 1 14 GLU CB C 10.131 -6.005 2.318 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 6 . 1530 . 1 1 14 GLU CD C 9.503 -8.209 3.344 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 6 . 1531 . 1 1 14 GLU CG C 9.114 -7.152 2.313 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 6 . 1532 . 1 1 14 GLU H H 13.042 -5.329 1.142 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 6 . 1533 . 1 1 14 GLU HA H 11.837 -7.285 2.697 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 6 . 1534 . 1 1 14 GLU HB2 H 10.141 -5.548 3.296 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1535 . 1 1 14 GLU HB3 H 9.838 -5.269 1.585 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1536 . 1 1 14 GLU HG2 H 8.136 -6.762 2.556 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1537 . 1 1 14 GLU HG3 H 9.083 -7.602 1.334 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 6 . 1538 . 1 1 14 GLU N N 12.512 -5.460 1.958 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 6 . 1539 . 1 1 14 GLU O O 11.096 -8.269 0.357 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 6 . 1540 . 1 1 14 GLU OE1 O 9.588 -7.864 4.510 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 6 . 1541 . 1 1 14 GLU OE2 O 9.711 -9.344 2.949 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 6 . 1542 . 1 1 15 LYS C C 13.391 -7.686 -1.914 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 6 . 1543 . 1 1 15 LYS CA C 12.210 -6.740 -1.725 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 6 . 1544 . 1 1 15 LYS CB C 12.395 -5.491 -2.604 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 6 . 1545 . 1 1 15 LYS CD C 10.720 -4.086 -1.268 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 6 . 1546 . 1 1 15 LYS CE C 9.506 -3.158 -1.399 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 6 . 1547 . 1 1 15 LYS CG C 11.130 -4.603 -2.656 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 6 . 1548 . 1 1 15 LYS H H 12.426 -5.480 -0.057 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 6 . 1549 . 1 1 15 LYS HA H 11.310 -7.246 -2.028 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 6 . 1550 . 1 1 15 LYS HB2 H 13.204 -4.899 -2.191 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 6 . 1551 . 1 1 15 LYS HB3 H 12.656 -5.798 -3.606 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 6 . 1552 . 1 1 15 LYS HD2 H 10.443 -4.914 -0.642 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 6 . 1553 . 1 1 15 LYS HD3 H 11.541 -3.546 -0.821 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 6 . 1554 . 1 1 15 LYS HE2 H 8.689 -3.699 -1.854 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 6 . 1555 . 1 1 15 LYS HE3 H 9.207 -2.815 -0.419 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 6 . 1556 . 1 1 15 LYS HG2 H 11.324 -3.762 -3.300 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 6 . 1557 . 1 1 15 LYS HG3 H 10.316 -5.181 -3.070 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 6 . 1558 . 1 1 15 LYS HZ1 H 9.321 -1.151 -1.922 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 6 . 1559 . 1 1 15 LYS HZ2 H 9.601 -2.184 -3.241 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 6 . 1560 . 1 1 15 LYS HZ3 H 10.870 -1.788 -2.180 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 6 . 1561 . 1 1 15 LYS N N 12.085 -6.355 -0.334 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 6 . 1562 . 1 1 15 LYS NZ N 9.851 -1.983 -2.251 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 6 . 1563 . 1 1 15 LYS O O 14.159 -7.546 -2.865 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 6 . 1564 . 1 1 16 NH2 HN1 H 12.967 -8.764 -0.301 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 6 . 1565 . 1 1 16 NH2 HN2 H 14.333 -9.269 -1.173 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 6 . 1566 . 1 1 16 NH2 N N 13.580 -8.653 -1.058 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 7 . 1567 . 1 1 1 NH2 HN1 H 16.713 -7.856 -2.989 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 7 . 1568 . 1 1 1 NH2 HN2 H 17.515 -9.337 -3.200 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 7 . 1569 . 1 1 1 NH2 N N 17.495 -8.427 -2.836 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 7 . 1570 . 1 1 2 GLN C C 18.509 -7.976 -2.149 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 7 . 1571 . 1 1 2 GLN CA C 18.463 -6.558 -1.586 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 7 . 1572 . 1 1 2 GLN CB C 18.218 -6.623 -0.067 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 7 . 1573 . 1 1 2 GLN CD C 15.684 -6.882 -0.324 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 7 . 1574 . 1 1 2 GLN CG C 16.959 -7.437 0.303 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 7 . 1575 . 1 1 2 GLN H H 16.521 -5.729 -1.870 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 7 . 1576 . 1 1 2 GLN HA H 19.420 -6.087 -1.762 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 7 . 1577 . 1 1 2 GLN HB2 H 19.076 -7.080 0.407 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1578 . 1 1 2 GLN HB3 H 18.107 -5.616 0.313 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1579 . 1 1 2 GLN HE21 H 14.882 -6.375 1.418 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 7 . 1580 . 1 1 2 GLN HE22 H 13.933 -6.028 0.057 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 7 . 1581 . 1 1 2 GLN HG2 H 17.092 -8.455 -0.027 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1582 . 1 1 2 GLN HG3 H 16.850 -7.434 1.379 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 7 . 1583 . 1 1 2 GLN N N 17.418 -5.780 -2.256 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 7 . 1584 . 1 1 2 GLN NE2 N 14.755 -6.388 0.448 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 7 . 1585 . 1 1 2 GLN O O 19.491 -8.693 -1.957 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 7 . 1586 . 1 1 2 GLN OE1 O 15.533 -6.879 -1.542 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 7 . 1587 . 1 1 3 LYS C C 17.671 -5.124 -3.383 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 7 . 1588 . 1 1 3 LYS CA C 16.509 -4.338 -3.985 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 7 . 1589 . 1 1 3 LYS CB C 16.498 -4.593 -5.492 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 7 . 1590 . 1 1 3 LYS CD C 15.249 -4.077 -7.660 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 7 . 1591 . 1 1 3 LYS CE C 15.151 -5.552 -8.088 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 7 . 1592 . 1 1 3 LYS CG C 15.283 -3.908 -6.124 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 7 . 1593 . 1 1 3 LYS H H 15.866 -2.309 -4.011 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 7 . 1594 . 1 1 3 LYS HA H 15.581 -4.716 -3.572 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 7 . 1595 . 1 1 3 LYS HB2 H 17.407 -4.213 -5.934 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1596 . 1 1 3 LYS HB3 H 16.433 -5.650 -5.640 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1597 . 1 1 3 LYS HD2 H 14.397 -3.544 -8.052 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 7 . 1598 . 1 1 3 LYS HD3 H 16.149 -3.650 -8.078 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 7 . 1599 . 1 1 3 LYS HE2 H 14.288 -5.998 -7.618 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 7 . 1600 . 1 1 3 LYS HE3 H 15.038 -5.603 -9.160 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 7 . 1601 . 1 1 3 LYS HG2 H 14.382 -4.330 -5.705 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1602 . 1 1 3 LYS HG3 H 15.318 -2.858 -5.891 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 7 . 1603 . 1 1 3 LYS HZ1 H 16.702 -6.883 -8.482 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 7 . 1604 . 1 1 3 LYS HZ2 H 16.140 -6.927 -6.878 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 7 . 1605 . 1 1 3 LYS HZ3 H 17.115 -5.639 -7.405 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 7 . 1606 . 1 1 3 LYS N N 16.592 -2.887 -3.703 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 7 . 1607 . 1 1 3 LYS NZ N 16.369 -6.308 -7.684 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 7 . 1608 . 1 1 3 LYS O O 18.776 -5.128 -3.925 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 7 . 1609 . 1 1 4 PHE C C 17.615 -2.315 -3.052 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 7 . 1610 . 1 1 4 PHE CA C 17.515 -0.805 -2.862 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 7 . 1611 . 1 1 4 PHE CB C 17.880 -0.386 -1.437 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 7 . 1612 . 1 1 4 PHE CD1 C 16.733 -2.298 -0.234 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 7 . 1613 . 1 1 4 PHE CD2 C 15.880 -0.050 0.037 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 7 . 1614 . 1 1 4 PHE CE1 C 15.700 -2.786 0.569 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 7 . 1615 . 1 1 4 PHE CE2 C 14.855 -0.540 0.847 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 7 . 1616 . 1 1 4 PHE CG C 16.829 -0.926 -0.497 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 7 . 1617 . 1 1 4 PHE CZ C 14.760 -1.904 1.113 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 7 . 1618 . 1 1 4 PHE H H 15.405 -0.931 -3.045 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 7 . 1619 . 1 1 4 PHE HA H 18.196 -0.338 -3.542 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 7 . 1620 . 1 1 4 PHE HB2 H 18.846 -0.799 -1.177 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1621 . 1 1 4 PHE HB3 H 17.916 0.690 -1.372 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1622 . 1 1 4 PHE HD1 H 17.465 -2.978 -0.628 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 7 . 1623 . 1 1 4 PHE HD2 H 15.947 1.006 -0.168 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 7 . 1624 . 1 1 4 PHE HE1 H 15.633 -3.841 0.769 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 7 . 1625 . 1 1 4 PHE HE2 H 14.131 0.133 1.256 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 7 . 1626 . 1 1 4 PHE HZ H 13.955 -2.276 1.732 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 7 . 1627 . 1 1 4 PHE N N 16.167 -0.317 -3.139 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 7 . 1628 . 1 1 4 PHE O O 18.596 -2.929 -2.631 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 7 . 1629 . 1 1 5 ILE C C 15.950 0.950 -3.500 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 7 . 1630 . 1 1 5 ILE CA C 14.496 1.343 -3.763 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 7 . 1631 . 1 1 5 ILE CB C 14.219 1.225 -5.266 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 7 . 1632 . 1 1 5 ILE CD1 C 12.435 1.502 -7.025 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 7 . 1633 . 1 1 5 ILE CG1 C 12.732 1.530 -5.521 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 7 . 1634 . 1 1 5 ILE CG2 C 14.603 -0.193 -5.773 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1635 . 1 1 5 ILE H H 14.635 3.452 -3.846 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 7 . 1636 . 1 1 5 ILE HA H 13.843 0.665 -3.233 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 7 . 1637 . 1 1 5 ILE HB H 14.821 1.965 -5.783 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 7 . 1638 . 1 1 5 ILE HD11 H 12.976 2.298 -7.515 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 7 . 1639 . 1 1 5 ILE HD12 H 11.375 1.637 -7.186 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 7 . 1640 . 1 1 5 ILE HD13 H 12.741 0.551 -7.437 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 7 . 1641 . 1 1 5 ILE HG12 H 12.125 0.788 -5.023 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 7 . 1642 . 1 1 5 ILE HG13 H 12.495 2.508 -5.129 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 7 . 1643 . 1 1 5 ILE HG21 H 15.551 -0.149 -6.294 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 7 . 1644 . 1 1 5 ILE HG22 H 13.848 -0.568 -6.449 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 7 . 1645 . 1 1 5 ILE HG23 H 14.696 -0.869 -4.937 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 7 . 1646 . 1 1 5 ILE N N 14.227 2.721 -3.337 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 7 . 1647 . 1 1 5 ILE O O 16.855 1.775 -3.620 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 7 . 1648 . 1 1 6 ARG C C 13.454 3.032 -2.289 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 7 . 1649 . 1 1 6 ARG CA C 13.316 4.533 -2.032 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 7 . 1650 . 1 1 6 ARG CB C 14.392 4.992 -1.061 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 7 . 1651 . 1 1 6 ARG CD C 15.412 6.975 0.032 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 7 . 1652 . 1 1 6 ARG CG C 14.334 6.514 -0.943 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 7 . 1653 . 1 1 6 ARG CZ C 14.119 6.747 2.072 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 7 . 1654 . 1 1 6 ARG H H 11.804 4.762 -0.568 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 7 . 1655 . 1 1 6 ARG HA H 13.478 5.049 -2.961 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 7 . 1656 . 1 1 6 ARG HB2 H 14.219 4.544 -0.095 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1657 . 1 1 6 ARG HB3 H 15.363 4.696 -1.429 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1658 . 1 1 6 ARG HD2 H 16.377 6.658 -0.329 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 7 . 1659 . 1 1 6 ARG HD3 H 15.391 8.052 0.102 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 7 . 1660 . 1 1 6 ARG HE H 15.791 5.719 1.685 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 7 . 1661 . 1 1 6 ARG HG2 H 14.509 6.958 -1.912 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1662 . 1 1 6 ARG HG3 H 13.364 6.812 -0.579 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 7 . 1663 . 1 1 6 ARG HH11 H 13.478 8.110 0.756 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 7 . 1664 . 1 1 6 ARG HH12 H 12.511 7.930 2.179 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 7 . 1665 . 1 1 6 ARG HH21 H 14.531 5.484 3.570 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 7 . 1666 . 1 1 6 ARG HH22 H 13.105 6.445 3.773 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 7 . 1667 . 1 1 6 ARG N N 11.996 4.896 -1.515 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 7 . 1668 . 1 1 6 ARG NE N 15.177 6.397 1.347 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 7 . 1669 . 1 1 6 ARG NH1 N 13.306 7.668 1.636 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 7 . 1670 . 1 1 6 ARG NH2 N 13.902 6.181 3.229 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 7 . 1671 . 1 1 6 ARG O O 12.891 2.194 -1.564 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 7 . 1672 . 1 1 7 VAL C C 11.055 5.422 -2.310 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 7 . 1673 . 1 1 7 VAL CA C 9.723 5.775 -1.652 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 7 . 1674 . 1 1 7 VAL CB C 8.627 4.844 -2.180 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 7 . 1675 . 1 1 7 VAL CG1 C 8.481 5.025 -3.695 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 7 . 1676 . 1 1 7 VAL CG2 C 8.999 3.393 -1.873 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1677 . 1 1 7 VAL H H 9.134 7.409 -2.871 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 7 . 1678 . 1 1 7 VAL HA H 9.811 5.634 -0.582 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 7 . 1679 . 1 1 7 VAL HB H 7.690 5.085 -1.700 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 7 . 1680 . 1 1 7 VAL HG11 H 7.539 4.606 -4.017 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 7 . 1681 . 1 1 7 VAL HG12 H 9.290 4.518 -4.201 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 7 . 1682 . 1 1 7 VAL HG13 H 8.507 6.077 -3.937 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 7 . 1683 . 1 1 7 VAL HG21 H 9.345 3.321 -0.854 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 7 . 1684 . 1 1 7 VAL HG22 H 9.783 3.072 -2.544 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 7 . 1685 . 1 1 7 VAL HG23 H 8.132 2.763 -2.004 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 7 . 1686 . 1 1 7 VAL N N 9.357 7.167 -1.949 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 7 . 1687 . 1 1 7 VAL O O 11.239 5.632 -3.508 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 7 . 1688 . 1 1 8 . C11 C 6.164 9.617 -0.505 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 7 . 1689 . 1 1 8 . C12 C 6.542 8.785 -1.720 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 7 . 1690 . 1 1 8 . C13 C 7.731 9.419 -2.425 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 7 . 1691 . 1 1 8 . C14 C 8.915 9.504 -1.472 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 7 . 1692 . 1 1 8 . C15 C 9.316 8.097 -1.025 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 7 . 1693 . 1 1 8 . C7 C 9.718 10.458 0.689 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 7 . 1694 . 1 1 8 . C8 C 8.528 10.346 -0.266 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 7 . 1695 . 1 1 8 . C9 C 7.346 9.707 0.446 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 7 . 1696 . 1 1 8 . H111 H 5.324 9.151 0.011 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 7 . 1697 . 1 1 8 . H112 H 5.878 10.619 -0.827 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 7 . 1698 . 1 1 8 . H12 H 5.692 8.746 -2.401 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 7 . 1699 . 1 1 8 . H14 H 9.756 9.969 -1.988 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 7 . 1700 . 1 1 8 . H8 H 8.245 11.345 -0.598 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 7 . 1701 . 1 1 8 . H9 H 7.627 8.709 0.782 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 7 . 1702 . 1 1 8 . HAG H 6.802 7.773 -1.407 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 7 . 1703 . 1 1 8 . HAI H 7.066 10.313 1.308 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 7 . 1704 . 1 1 8 . HAK H 8.007 8.819 -3.292 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 7 . 1705 . 1 1 8 . HAL H 7.454 10.421 -2.753 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 7 . 1706 . 1 1 8 . O1 O 10.611 11.274 0.470 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 7 . 1707 . 1 1 8 . OAB O 9.579 7.869 0.155 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 7 . 1708 . 1 1 9 GLY C C 10.968 8.374 3.439 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 7 . 1709 . 1 1 9 GLY CA C 10.837 9.703 2.701 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 7 . 1710 . 1 1 9 GLY H H 9.005 9.031 1.865 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 7 . 1711 . 1 1 9 GLY HA2 H 11.768 9.913 2.190 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 7 . 1712 . 1 1 9 GLY HA3 H 10.645 10.485 3.420 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 7 . 1713 . 1 1 9 GLY N N 9.740 9.664 1.730 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 7 . 1714 . 1 1 9 GLY O O 11.344 8.337 4.610 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 7 . 1715 . 1 1 10 VAL C C 11.515 5.016 2.404 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 7 . 1716 . 1 1 10 VAL CA C 10.724 5.950 3.317 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 7 . 1717 . 1 1 10 VAL CB C 9.310 5.418 3.489 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 7 . 1718 . 1 1 10 VAL CG1 C 8.529 6.328 4.438 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 7 . 1719 . 1 1 10 VAL CG2 C 8.608 5.387 2.129 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1720 . 1 1 10 VAL H H 10.349 7.370 1.823 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 7 . 1721 . 1 1 10 VAL HA H 11.204 5.990 4.285 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 7 . 1722 . 1 1 10 VAL HB H 9.356 4.431 3.889 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 7 . 1723 . 1 1 10 VAL HG11 H 8.986 6.304 5.416 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 7 . 1724 . 1 1 10 VAL HG12 H 7.509 5.982 4.509 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 7 . 1725 . 1 1 10 VAL HG13 H 8.542 7.339 4.058 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 7 . 1726 . 1 1 10 VAL HG21 H 7.575 5.105 2.265 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 7 . 1727 . 1 1 10 VAL HG22 H 9.096 4.669 1.488 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 7 . 1728 . 1 1 10 VAL HG23 H 8.656 6.367 1.677 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 7 . 1729 . 1 1 10 VAL N N 10.651 7.283 2.743 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 7 . 1730 . 1 1 10 VAL O O 11.669 5.281 1.211 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 7 . 1731 . 1 1 11 THR C C 12.359 1.524 2.636 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 7 . 1732 . 1 1 11 THR CA C 12.778 2.930 2.209 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 7 . 1733 . 1 1 11 THR CB C 14.283 3.136 2.460 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 7 . 1734 . 1 1 11 THR CG2 C 14.605 2.935 3.944 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1735 . 1 1 11 THR H H 11.842 3.759 3.926 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 7 . 1736 . 1 1 11 THR HA H 12.577 3.050 1.153 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 7 . 1737 . 1 1 11 THR HB H 14.561 4.136 2.172 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 7 . 1738 . 1 1 11 THR HG1 H 15.023 2.499 0.782 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 7 . 1739 . 1 1 11 THR HG21 H 15.554 3.399 4.170 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 7 . 1740 . 1 1 11 THR HG22 H 14.664 1.879 4.161 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 7 . 1741 . 1 1 11 THR HG23 H 13.834 3.385 4.551 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 7 . 1742 . 1 1 11 THR N N 12.007 3.916 2.973 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 7 . 1743 . 1 1 11 THR O O 12.449 1.178 3.813 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 7 . 1744 . 1 1 11 THR OG1 O 15.026 2.203 1.695 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 7 . 1745 . 1 1 12 ILE C C 11.532 -1.524 0.749 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 7 . 1746 . 1 1 12 ILE CA C 11.443 -0.632 1.981 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 7 . 1747 . 1 1 12 ILE CB C 10.000 -0.634 2.495 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 7 . 1748 . 1 1 12 ILE CD1 C 9.391 1.426 1.121 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 7 . 1749 . 1 1 12 ILE CG1 C 9.037 -0.031 1.453 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 7 . 1750 . 1 1 12 ILE CG2 C 9.895 0.128 3.822 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1751 . 1 1 12 ILE H H 11.830 1.037 0.762 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 7 . 1752 . 1 1 12 ILE HA H 12.081 -1.044 2.750 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 7 . 1753 . 1 1 12 ILE HB H 9.723 -1.652 2.665 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 7 . 1754 . 1 1 12 ILE HD11 H 9.838 1.907 1.978 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 7 . 1755 . 1 1 12 ILE HD12 H 8.491 1.956 0.847 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 7 . 1756 . 1 1 12 ILE HD13 H 10.081 1.445 0.292 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 7 . 1757 . 1 1 12 ILE HG12 H 9.084 -0.618 0.549 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 7 . 1758 . 1 1 12 ILE HG13 H 8.030 -0.068 1.844 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 7 . 1759 . 1 1 12 ILE HG21 H 9.991 1.187 3.642 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 7 . 1760 . 1 1 12 ILE HG22 H 10.679 -0.198 4.489 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 7 . 1761 . 1 1 12 ILE HG23 H 8.935 -0.073 4.275 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 7 . 1762 . 1 1 12 ILE N N 11.886 0.720 1.680 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 7 . 1763 . 1 1 12 ILE O O 11.757 -1.045 -0.363 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 7 . 1764 . 1 1 13 ARG C C 10.763 -5.104 0.287 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 7 . 1765 . 1 1 13 ARG CA C 11.418 -3.785 -0.131 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 7 . 1766 . 1 1 13 ARG CB C 12.884 -3.984 -0.515 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 7 . 1767 . 1 1 13 ARG CD C 12.295 -4.650 -2.898 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 7 . 1768 . 1 1 13 ARG CG C 13.067 -5.028 -1.626 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 7 . 1769 . 1 1 13 ARG CZ C 12.136 -2.805 -4.447 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 7 . 1770 . 1 1 13 ARG H H 11.185 -3.152 1.862 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 7 . 1771 . 1 1 13 ARG HA H 10.883 -3.373 -0.968 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 7 . 1772 . 1 1 13 ARG HB2 H 13.292 -3.042 -0.850 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1773 . 1 1 13 ARG HB3 H 13.424 -4.308 0.360 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1774 . 1 1 13 ARG HD2 H 12.512 -5.380 -3.664 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 7 . 1775 . 1 1 13 ARG HD3 H 11.237 -4.650 -2.715 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 7 . 1776 . 1 1 13 ARG HE H 13.392 -2.842 -2.880 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 7 . 1777 . 1 1 13 ARG HG2 H 14.111 -5.090 -1.859 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1778 . 1 1 13 ARG HG3 H 12.733 -5.985 -1.271 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 7 . 1779 . 1 1 13 ARG HH11 H 11.052 -4.433 -4.868 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 7 . 1780 . 1 1 13 ARG HH12 H 10.845 -3.095 -5.948 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 7 . 1781 . 1 1 13 ARG HH21 H 13.086 -1.057 -4.272 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 7 . 1782 . 1 1 13 ARG HH22 H 12.000 -1.188 -5.614 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 7 . 1783 . 1 1 13 ARG N N 11.355 -2.827 0.958 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 7 . 1784 . 1 1 13 ARG NE N 12.709 -3.343 -3.376 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 7 . 1785 . 1 1 13 ARG NH1 N 11.277 -3.498 -5.141 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 7 . 1786 . 1 1 13 ARG NH2 N 12.430 -1.589 -4.805 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 7 . 1787 . 1 1 13 ARG O O 10.480 -5.318 1.463 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 7 . 1788 . 1 1 14 GLU C C 10.938 -8.307 -0.014 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 7 . 1789 . 1 1 14 GLU CA C 9.889 -7.266 -0.408 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 7 . 1790 . 1 1 14 GLU CB C 9.116 -7.735 -1.655 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 7 . 1791 . 1 1 14 GLU CD C 9.305 -8.289 -4.088 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 7 . 1792 . 1 1 14 GLU CG C 10.070 -7.834 -2.849 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 7 . 1793 . 1 1 14 GLU H H 10.759 -5.758 -1.597 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 7 . 1794 . 1 1 14 GLU HA H 9.195 -7.147 0.411 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 7 . 1795 . 1 1 14 GLU HB2 H 8.679 -8.707 -1.466 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1796 . 1 1 14 GLU HB3 H 8.332 -7.028 -1.885 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1797 . 1 1 14 GLU HG2 H 10.510 -6.867 -3.037 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1798 . 1 1 14 GLU HG3 H 10.851 -8.546 -2.635 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 7 . 1799 . 1 1 14 GLU N N 10.514 -5.979 -0.681 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 7 . 1800 . 1 1 14 GLU O O 10.915 -9.437 -0.505 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 7 . 1801 . 1 1 14 GLU OE1 O 8.738 -9.369 -4.046 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 7 . 1802 . 1 1 14 GLU OE2 O 9.297 -7.551 -5.060 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 7 . 1803 . 1 1 15 LYS C C 12.376 -10.252 1.482 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 7 . 1804 . 1 1 15 LYS CA C 12.916 -8.832 1.321 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 7 . 1805 . 1 1 15 LYS CB C 13.562 -8.402 2.658 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 7 . 1806 . 1 1 15 LYS CD C 11.388 -7.370 3.722 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 7 . 1807 . 1 1 15 LYS CE C 11.865 -5.898 3.686 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 7 . 1808 . 1 1 15 LYS CG C 12.557 -8.387 3.838 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 7 . 1809 . 1 1 15 LYS H H 11.827 -7.010 1.232 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 7 . 1810 . 1 1 15 LYS HA H 13.687 -8.849 0.563 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 7 . 1811 . 1 1 15 LYS HB2 H 14.341 -9.113 2.894 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 7 . 1812 . 1 1 15 LYS HB3 H 14.018 -7.440 2.553 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 7 . 1813 . 1 1 15 LYS HD2 H 10.813 -7.577 2.840 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 7 . 1814 . 1 1 15 LYS HD3 H 10.744 -7.499 4.581 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 7 . 1815 . 1 1 15 LYS HE2 H 11.006 -5.246 3.728 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 7 . 1816 . 1 1 15 LYS HE3 H 12.483 -5.713 4.555 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 7 . 1817 . 1 1 15 LYS HG2 H 12.131 -9.372 3.929 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 7 . 1818 . 1 1 15 LYS HG3 H 13.107 -8.174 4.744 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 7 . 1819 . 1 1 15 LYS HZ1 H 12.552 -6.362 1.775 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 7 . 1820 . 1 1 15 LYS HZ2 H 13.653 -5.460 2.708 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 7 . 1821 . 1 1 15 LYS HZ3 H 12.289 -4.711 2.033 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 7 . 1822 . 1 1 15 LYS N N 11.860 -7.920 0.875 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 7 . 1823 . 1 1 15 LYS NZ N 12.650 -5.589 2.458 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 7 . 1824 . 1 1 15 LYS O O 13.112 -11.224 1.308 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 7 . 1825 . 1 1 16 NH2 HN1 H 10.539 -9.655 1.945 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 7 . 1826 . 1 1 16 NH2 HN2 H 10.770 -11.338 1.909 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 7 . 1827 . 1 1 16 NH2 N N 11.125 -10.430 1.805 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 8 . 1828 . 1 1 1 NH2 HN1 H 17.944 -9.547 -0.357 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 8 . 1829 . 1 1 1 NH2 HN2 H 18.252 -10.381 -1.804 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 8 . 1830 . 1 1 1 NH2 N N 18.015 -9.555 -1.335 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 8 . 1831 . 1 1 2 GLN C C 17.795 -8.461 -2.012 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 8 . 1832 . 1 1 2 GLN CA C 17.430 -7.180 -1.271 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 8 . 1833 . 1 1 2 GLN CB C 16.762 -7.549 0.065 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 8 . 1834 . 1 1 2 GLN CD C 15.235 -5.519 0.147 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 8 . 1835 . 1 1 2 GLN CG C 16.365 -6.284 0.841 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 8 . 1836 . 1 1 2 GLN H H 15.665 -6.694 -2.332 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 8 . 1837 . 1 1 2 GLN HA H 18.342 -6.637 -1.057 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 8 . 1838 . 1 1 2 GLN HB2 H 15.877 -8.138 -0.131 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 1839 . 1 1 2 GLN HB3 H 17.452 -8.129 0.660 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 1840 . 1 1 2 GLN HE21 H 14.842 -6.948 -1.177 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 8 . 1841 . 1 1 2 GLN HE22 H 13.857 -5.566 -1.289 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 8 . 1842 . 1 1 2 GLN HG2 H 16.045 -6.565 1.832 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1843 . 1 1 2 GLN HG3 H 17.228 -5.640 0.919 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 8 . 1844 . 1 1 2 GLN N N 16.552 -6.355 -2.097 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 8 . 1845 . 1 1 2 GLN NE2 N 14.596 -6.054 -0.860 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 8 . 1846 . 1 1 2 GLN O O 17.885 -8.468 -3.239 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 8 . 1847 . 1 1 2 GLN OE1 O 14.867 -4.433 0.596 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 8 . 1848 . 1 1 3 LYS C C 16.922 -5.149 -2.533 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 8 . 1849 . 1 1 3 LYS CA C 15.888 -4.405 -3.385 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 8 . 1850 . 1 1 3 LYS CB C 15.918 -4.951 -4.824 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 8 . 1851 . 1 1 3 LYS CD C 17.374 -5.276 -6.902 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 8 . 1852 . 1 1 3 LYS CE C 16.272 -4.818 -7.874 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 8 . 1853 . 1 1 3 LYS CG C 17.253 -4.622 -5.508 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 8 . 1854 . 1 1 3 LYS H H 15.273 -2.371 -3.277 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 8 . 1855 . 1 1 3 LYS HA H 14.910 -4.627 -2.973 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 8 . 1856 . 1 1 3 LYS HB2 H 15.771 -6.021 -4.808 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 1857 . 1 1 3 LYS HB3 H 15.115 -4.485 -5.363 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 1858 . 1 1 3 LYS HD2 H 18.335 -5.022 -7.323 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 8 . 1859 . 1 1 3 LYS HD3 H 17.317 -6.349 -6.787 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 8 . 1860 . 1 1 3 LYS HE2 H 16.280 -3.741 -7.940 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 8 . 1861 . 1 1 3 LYS HE3 H 16.466 -5.235 -8.853 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 8 . 1862 . 1 1 3 LYS HG2 H 17.329 -3.556 -5.637 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1863 . 1 1 3 LYS HG3 H 18.066 -4.965 -4.886 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 8 . 1864 . 1 1 3 LYS HZ1 H 15.042 -5.890 -6.582 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 8 . 1865 . 1 1 3 LYS HZ2 H 14.454 -5.786 -8.173 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 8 . 1866 . 1 1 3 LYS HZ3 H 14.362 -4.439 -7.141 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 8 . 1867 . 1 1 3 LYS N N 16.066 -2.937 -3.357 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 8 . 1868 . 1 1 3 LYS NZ N 14.931 -5.267 -7.407 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 8 . 1869 . 1 1 3 LYS O O 18.015 -4.658 -2.266 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 8 . 1870 . 1 1 4 PHE C C 17.246 -2.332 -3.456 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 8 . 1871 . 1 1 4 PHE CA C 17.207 -0.809 -3.423 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 8 . 1872 . 1 1 4 PHE CB C 18.191 -0.241 -2.405 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 8 . 1873 . 1 1 4 PHE CD1 C 17.499 -1.804 -0.526 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 8 . 1874 . 1 1 4 PHE CD2 C 17.122 0.575 -0.289 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 8 . 1875 . 1 1 4 PHE CE1 C 16.882 -2.019 0.711 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 8 . 1876 . 1 1 4 PHE CE2 C 16.521 0.357 0.948 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 8 . 1877 . 1 1 4 PHE CG C 17.624 -0.502 -1.028 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 8 . 1878 . 1 1 4 PHE CZ C 16.395 -0.935 1.449 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 8 . 1879 . 1 1 4 PHE H H 15.270 -0.864 -2.568 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 8 . 1880 . 1 1 4 PHE HA H 17.472 -0.448 -4.392 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 8 . 1881 . 1 1 4 PHE HB2 H 19.147 -0.736 -2.509 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 1882 . 1 1 4 PHE HB3 H 18.311 0.821 -2.563 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 1883 . 1 1 4 PHE HD1 H 17.891 -2.639 -1.078 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 8 . 1884 . 1 1 4 PHE HD2 H 17.214 1.581 -0.673 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 8 . 1885 . 1 1 4 PHE HE1 H 16.782 -3.021 1.094 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 8 . 1886 . 1 1 4 PHE HE2 H 16.144 1.188 1.511 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 8 . 1887 . 1 1 4 PHE HZ H 15.914 -1.096 2.400 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 8 . 1888 . 1 1 4 PHE N N 15.883 -0.294 -3.083 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 8 . 1889 . 1 1 4 PHE O O 18.313 -2.924 -3.597 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 8 . 1890 . 1 1 5 ILE C C 15.500 0.939 -3.413 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 8 . 1891 . 1 1 5 ILE CA C 14.103 1.336 -2.947 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 8 . 1892 . 1 1 5 ILE CB C 13.069 0.801 -3.943 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 8 . 1893 . 1 1 5 ILE CD1 C 13.089 2.946 -5.349 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 8 . 1894 . 1 1 5 ILE CG1 C 13.263 1.416 -5.346 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 8 . 1895 . 1 1 5 ILE CG2 C 11.653 1.100 -3.436 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1896 . 1 1 5 ILE H H 14.473 3.374 -3.397 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 8 . 1897 . 1 1 5 ILE HA H 13.923 0.867 -1.992 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 8 . 1898 . 1 1 5 ILE HB H 13.193 -0.264 -4.010 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 8 . 1899 . 1 1 5 ILE HD11 H 14.054 3.418 -5.261 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 8 . 1900 . 1 1 5 ILE HD12 H 12.455 3.257 -4.533 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 8 . 1901 . 1 1 5 ILE HD13 H 12.634 3.246 -6.281 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 8 . 1902 . 1 1 5 ILE HG12 H 14.255 1.179 -5.694 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 8 . 1903 . 1 1 5 ILE HG13 H 12.542 0.979 -6.021 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 8 . 1904 . 1 1 5 ILE HG21 H 10.930 0.621 -4.081 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 8 . 1905 . 1 1 5 ILE HG22 H 11.485 2.166 -3.440 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 8 . 1906 . 1 1 5 ILE HG23 H 11.543 0.723 -2.430 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 8 . 1907 . 1 1 5 ILE N N 13.982 2.783 -2.793 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 8 . 1908 . 1 1 5 ILE O O 16.219 1.733 -4.020 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 8 . 1909 . 1 1 6 ARG C C 13.208 3.315 -1.849 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 8 . 1910 . 1 1 6 ARG CA C 13.152 4.839 -1.811 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 8 . 1911 . 1 1 6 ARG CB C 14.111 5.374 -0.743 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 8 . 1912 . 1 1 6 ARG CD C 12.968 7.655 -0.687 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 8 . 1913 . 1 1 6 ARG CG C 14.294 6.901 -0.850 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 8 . 1914 . 1 1 6 ARG CZ C 13.657 9.706 -1.804 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 8 . 1915 . 1 1 6 ARG H H 11.482 5.432 -0.656 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 8 . 1916 . 1 1 6 ARG HA H 13.471 5.224 -2.768 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 8 . 1917 . 1 1 6 ARG HB2 H 13.716 5.138 0.229 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 1918 . 1 1 6 ARG HB3 H 15.072 4.895 -0.858 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 1919 . 1 1 6 ARG HD2 H 12.314 7.415 -1.504 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 8 . 1920 . 1 1 6 ARG HD3 H 12.503 7.379 0.248 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 8 . 1921 . 1 1 6 ARG HE H 13.037 9.610 0.092 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 8 . 1922 . 1 1 6 ARG HG2 H 14.977 7.227 -0.080 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1923 . 1 1 6 ARG HG3 H 14.719 7.131 -1.814 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 8 . 1924 . 1 1 6 ARG HH11 H 13.644 8.059 -2.942 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 8 . 1925 . 1 1 6 ARG HH12 H 14.188 9.505 -3.724 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 8 . 1926 . 1 1 6 ARG HH21 H 13.740 11.506 -0.931 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 8 . 1927 . 1 1 6 ARG HH22 H 14.241 11.453 -2.589 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 8 . 1928 . 1 1 6 ARG N N 11.783 5.283 -1.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 8 . 1929 . 1 1 6 ARG NE N 13.201 9.091 -0.714 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 8 . 1930 . 1 1 6 ARG NH1 N 13.843 9.038 -2.910 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 8 . 1931 . 1 1 6 ARG NH2 N 13.898 10.989 -1.772 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 8 . 1932 . 1 1 6 ARG O O 12.558 2.634 -1.046 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 8 . 1933 . 1 1 7 VAL C C 10.929 5.479 -2.577 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 8 . 1934 . 1 1 7 VAL CA C 9.522 5.928 -2.187 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 8 . 1935 . 1 1 7 VAL CB C 8.486 5.273 -3.116 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 8 . 1936 . 1 1 7 VAL CG1 C 7.075 5.667 -2.657 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 8 . 1937 . 1 1 7 VAL CG2 C 8.703 5.738 -4.576 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1938 . 1 1 7 VAL H H 9.401 7.826 -3.134 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 8 . 1939 . 1 1 7 VAL HA H 9.328 5.593 -1.174 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 8 . 1940 . 1 1 7 VAL HB H 8.588 4.198 -3.060 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 8 . 1941 . 1 1 7 VAL HG11 H 6.860 6.674 -2.981 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 8 . 1942 . 1 1 7 VAL HG12 H 7.016 5.615 -1.579 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 8 . 1943 . 1 1 7 VAL HG13 H 6.354 4.989 -3.089 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 8 . 1944 . 1 1 7 VAL HG21 H 9.132 6.730 -4.588 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 8 . 1945 . 1 1 7 VAL HG22 H 7.757 5.755 -5.102 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 8 . 1946 . 1 1 7 VAL HG23 H 9.369 5.053 -5.080 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 8 . 1947 . 1 1 7 VAL N N 9.394 7.391 -2.256 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 8 . 1948 . 1 1 7 VAL O O 11.235 5.303 -3.755 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 8 . 1949 . 1 1 8 . C11 C 6.395 10.086 -0.485 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 8 . 1950 . 1 1 8 . C12 C 6.695 9.411 -1.813 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 8 . 1951 . 1 1 8 . C13 C 8.012 9.932 -2.366 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 8 . 1952 . 1 1 8 . C14 C 9.137 9.644 -1.385 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 8 . 1953 . 1 1 8 . C15 C 9.268 8.134 -1.182 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 8 . 1954 . 1 1 8 . C7 C 9.964 10.062 0.933 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 8 . 1955 . 1 1 8 . C8 C 8.831 10.328 -0.061 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 8 . 1956 . 1 1 8 . C9 C 7.518 9.806 0.500 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 8 . 1957 . 1 1 8 . H111 H 5.461 9.697 -0.078 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 8 . 1958 . 1 1 8 . H112 H 6.304 11.162 -0.636 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 8 . 1959 . 1 1 8 . H12 H 5.889 9.632 -2.512 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 8 . 1960 . 1 1 8 . H14 H 10.072 10.033 -1.789 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 8 . 1961 . 1 1 8 . H8 H 8.746 11.404 -0.220 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 8 . 1962 . 1 1 8 . H9 H 7.602 8.732 0.671 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 8 . 1963 . 1 1 8 . HAG H 6.763 8.332 -1.668 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 8 . 1964 . 1 1 8 . HAI H 7.300 10.305 1.443 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 8 . 1965 . 1 1 8 . HAK H 8.227 9.446 -3.318 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 8 . 1966 . 1 1 8 . HAL H 7.929 11.007 -2.522 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 8 . 1967 . 1 1 8 . O1 O 10.974 10.765 0.923 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 8 . 1968 . 1 1 8 . OAB O 9.250 7.652 -0.050 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 8 . 1969 . 1 1 9 GLY C C 10.753 7.294 3.209 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 8 . 1970 . 1 1 9 GLY CA C 10.836 8.754 2.774 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 8 . 1971 . 1 1 9 GLY H H 8.985 8.547 1.755 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 8 . 1972 . 1 1 9 GLY HA2 H 11.817 8.937 2.354 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 8 . 1973 . 1 1 9 GLY HA3 H 10.700 9.384 3.640 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 8 . 1974 . 1 1 9 GLY N N 9.808 9.077 1.782 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 8 . 1975 . 1 1 9 GLY O O 10.944 6.979 4.384 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 8 . 1976 . 1 1 10 VAL C C 11.575 4.231 1.944 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 8 . 1977 . 1 1 10 VAL CA C 10.389 4.968 2.556 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 8 . 1978 . 1 1 10 VAL CB C 9.091 4.398 1.982 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 8 . 1979 . 1 1 10 VAL CG1 C 9.008 2.902 2.294 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 8 . 1980 . 1 1 10 VAL CG2 C 7.897 5.115 2.613 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1981 . 1 1 10 VAL H H 10.345 6.709 1.336 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 8 . 1982 . 1 1 10 VAL HA H 10.395 4.816 3.627 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 8 . 1983 . 1 1 10 VAL HB H 9.077 4.542 0.912 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 8 . 1984 . 1 1 10 VAL HG11 H 9.741 2.370 1.705 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 8 . 1985 . 1 1 10 VAL HG12 H 8.021 2.538 2.054 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 8 . 1986 . 1 1 10 VAL HG13 H 9.206 2.741 3.343 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 8 . 1987 . 1 1 10 VAL HG21 H 7.780 4.788 3.636 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 8 . 1988 . 1 1 10 VAL HG22 H 7.002 4.880 2.056 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 8 . 1989 . 1 1 10 VAL HG23 H 8.065 6.181 2.592 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 8 . 1990 . 1 1 10 VAL N N 10.479 6.401 2.257 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 8 . 1991 . 1 1 10 VAL O O 11.696 4.140 0.724 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 8 . 1992 . 1 1 11 THR C C 13.549 1.514 2.808 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 8 . 1993 . 1 1 11 THR CA C 13.634 2.972 2.358 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 8 . 1994 . 1 1 11 THR CB C 14.877 3.615 3.000 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 8 . 1995 . 1 1 11 THR CG2 C 14.989 5.093 2.604 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 8 . 1996 . 1 1 11 THR H H 12.287 3.812 3.767 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 8 . 1997 . 1 1 11 THR HA H 13.724 3.018 1.282 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 8 . 1998 . 1 1 11 THR HB H 15.763 3.095 2.681 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 8 . 1999 . 1 1 11 THR HG1 H 15.642 3.637 4.787 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 8 . 2000 . 1 1 11 THR HG21 H 14.003 5.523 2.506 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 8 . 2001 . 1 1 11 THR HG22 H 15.518 5.178 1.667 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 8 . 2002 . 1 1 11 THR HG23 H 15.535 5.625 3.370 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 8 . 2003 . 1 1 11 THR N N 12.445 3.705 2.806 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 8 . 2004 . 1 1 11 THR O O 14.070 1.187 3.867 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 8 . 2005 . 1 1 11 THR OG1 O 14.765 3.525 4.413 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 8 . 2006 . 1 1 12 ILE C C 11.654 -1.381 1.390 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 8 . 2007 . 1 1 12 ILE CA C 12.741 -0.772 2.276 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 8 . 2008 . 1 1 12 ILE CB C 12.393 -0.976 3.772 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 8 . 2009 . 1 1 12 ILE CD1 C 10.986 -3.137 3.473 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 8 . 2010 . 1 1 12 ILE CG1 C 12.199 -2.468 4.146 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 8 . 2011 . 1 1 12 ILE CG2 C 11.132 -0.182 4.130 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 8 . 2012 . 1 1 12 ILE H H 12.542 1.000 1.159 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 8 . 2013 . 1 1 12 ILE HA H 13.668 -1.276 2.067 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 8 . 2014 . 1 1 12 ILE HB H 13.202 -0.596 4.360 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 8 . 2015 . 1 1 12 ILE HD11 H 11.302 -3.653 2.582 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 8 . 2016 . 1 1 12 ILE HD12 H 10.239 -2.401 3.225 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 8 . 2017 . 1 1 12 ILE HD13 H 10.556 -3.853 4.158 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 8 . 2018 . 1 1 12 ILE HG12 H 13.086 -3.002 3.851 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 8 . 2019 . 1 1 12 ILE HG13 H 12.091 -2.542 5.217 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 8 . 2020 . 1 1 12 ILE HG21 H 10.265 -0.662 3.703 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 8 . 2021 . 1 1 12 ILE HG22 H 11.215 0.821 3.739 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 8 . 2022 . 1 1 12 ILE HG23 H 11.027 -0.141 5.204 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 8 . 2023 . 1 1 12 ILE N N 12.906 0.660 1.985 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 8 . 2024 . 1 1 12 ILE O O 10.510 -0.928 1.389 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 8 . 2025 . 1 1 13 ARG C C 11.543 -4.600 -0.424 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 8 . 2026 . 1 1 13 ARG CA C 11.043 -3.184 -0.137 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 8 . 2027 . 1 1 13 ARG CB C 10.644 -2.419 -1.422 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 8 . 2028 . 1 1 13 ARG CD C 12.455 -3.332 -2.871 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 8 . 2029 . 1 1 13 ARG CG C 11.791 -2.068 -2.361 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 8 . 2030 . 1 1 13 ARG CZ C 12.988 -2.549 -5.096 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 8 . 2031 . 1 1 13 ARG H H 12.922 -2.803 0.769 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 8 . 2032 . 1 1 13 ARG HA H 10.146 -3.292 0.460 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 8 . 2033 . 1 1 13 ARG HB2 H 9.971 -3.036 -1.983 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 2034 . 1 1 13 ARG HB3 H 10.139 -1.513 -1.145 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 2035 . 1 1 13 ARG HD2 H 13.004 -3.786 -2.076 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 8 . 2036 . 1 1 13 ARG HD3 H 11.710 -4.013 -3.242 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 8 . 2037 . 1 1 13 ARG HE H 14.316 -3.112 -3.733 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 8 . 2038 . 1 1 13 ARG HG2 H 11.404 -1.502 -3.194 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 8 . 2039 . 1 1 13 ARG HG3 H 12.518 -1.471 -1.831 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 8 . 2040 . 1 1 13 ARG HH11 H 11.037 -2.708 -4.678 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 8 . 2041 . 1 1 13 ARG HH12 H 11.418 -2.087 -6.249 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 8 . 2042 . 1 1 13 ARG HH21 H 14.848 -2.306 -5.794 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 8 . 2043 . 1 1 13 ARG HH22 H 13.576 -1.859 -6.880 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 8 . 2044 . 1 1 13 ARG N N 12.008 -2.459 0.689 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 8 . 2045 . 1 1 13 ARG NE N 13.385 -3.017 -3.916 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 8 . 2046 . 1 1 13 ARG NH1 N 11.715 -2.440 -5.362 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 8 . 2047 . 1 1 13 ARG NH2 N 13.872 -2.211 -5.994 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 8 . 2048 . 1 1 13 ARG O O 12.663 -4.938 -0.060 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 8 . 2049 . 1 1 14 GLU C C 12.140 -7.381 -0.529 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 8 . 2050 . 1 1 14 GLU CA C 11.028 -6.809 -1.408 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 8 . 2051 . 1 1 14 GLU CB C 11.426 -6.914 -2.888 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 8 . 2052 . 1 1 14 GLU CD C 9.046 -7.397 -3.558 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 8 . 2053 . 1 1 14 GLU CG C 10.252 -6.490 -3.787 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 8 . 2054 . 1 1 14 GLU H H 9.836 -5.066 -1.323 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 8 . 2055 . 1 1 14 GLU HA H 10.143 -7.406 -1.248 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 8 . 2056 . 1 1 14 GLU HB2 H 12.272 -6.269 -3.078 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 2057 . 1 1 14 GLU HB3 H 11.698 -7.935 -3.118 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 2058 . 1 1 14 GLU HG2 H 9.973 -5.474 -3.557 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 8 . 2059 . 1 1 14 GLU HG3 H 10.552 -6.553 -4.822 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 8 . 2060 . 1 1 14 GLU N N 10.700 -5.413 -1.065 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 8 . 2061 . 1 1 14 GLU O O 13.055 -8.041 -1.021 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 8 . 2062 . 1 1 14 GLU OE1 O 9.183 -8.594 -3.754 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 8 . 2063 . 1 1 14 GLU OE2 O 8.003 -6.883 -3.189 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 8 . 2064 . 1 1 15 LYS C C 12.829 -9.085 2.081 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 8 . 2065 . 1 1 15 LYS CA C 13.053 -7.620 1.716 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 8 . 2066 . 1 1 15 LYS CB C 13.111 -6.703 2.958 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 8 . 2067 . 1 1 15 LYS CD C 11.018 -7.744 4.132 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 8 . 2068 . 1 1 15 LYS CE C 11.862 -8.466 5.191 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 8 . 2069 . 1 1 15 LYS CG C 11.720 -6.467 3.615 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 8 . 2070 . 1 1 15 LYS H H 11.298 -6.595 1.109 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 8 . 2071 . 1 1 15 LYS HA H 14.016 -7.559 1.228 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 8 . 2072 . 1 1 15 LYS HB2 H 13.782 -7.127 3.683 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 8 . 2073 . 1 1 15 LYS HB3 H 13.510 -5.744 2.651 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 8 . 2074 . 1 1 15 LYS HD2 H 10.081 -7.453 4.586 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 8 . 2075 . 1 1 15 LYS HD3 H 10.805 -8.406 3.318 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 8 . 2076 . 1 1 15 LYS HE2 H 12.794 -8.788 4.766 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 8 . 2077 . 1 1 15 LYS HE3 H 12.052 -7.799 6.019 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 8 . 2078 . 1 1 15 LYS HG2 H 11.846 -5.794 4.447 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 8 . 2079 . 1 1 15 LYS HG3 H 11.079 -5.990 2.888 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 8 . 2080 . 1 1 15 LYS HZ1 H 11.436 -9.899 6.640 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 8 . 2081 . 1 1 15 LYS HZ2 H 11.301 -10.466 5.044 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 8 . 2082 . 1 1 15 LYS HZ3 H 10.100 -9.455 5.694 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 8 . 2083 . 1 1 15 LYS N N 12.051 -7.125 0.775 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 8 . 2084 . 1 1 15 LYS NZ N 11.119 -9.662 5.679 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 8 . 2085 . 1 1 15 LYS O O 13.632 -9.681 2.799 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 8 . 2086 . 1 1 16 NH2 HN1 H 11.149 -9.240 1.032 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 8 . 2087 . 1 1 16 NH2 HN2 H 11.647 -10.660 1.818 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 8 . 2088 . 1 1 16 NH2 N N 11.788 -9.714 1.603 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 9 . 2089 . 1 1 1 NH2 HN1 H 16.591 -8.580 -1.315 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 9 . 2090 . 1 1 1 NH2 HN2 H 17.835 -9.691 -0.999 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 9 . 2091 . 1 1 1 NH2 N N 17.434 -8.806 -0.869 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 9 . 2092 . 1 1 2 GLN C C 18.021 -7.929 -0.101 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 9 . 2093 . 1 1 2 GLN CA C 17.379 -6.559 0.101 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 9 . 2094 . 1 1 2 GLN CB C 16.263 -6.639 1.126 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 9 . 2095 . 1 1 2 GLN CD C 17.793 -6.179 3.090 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 9 . 2096 . 1 1 2 GLN CG C 16.776 -7.137 2.465 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 9 . 2097 . 1 1 2 GLN H H 15.802 -6.222 -1.238 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 9 . 2098 . 1 1 2 GLN HA H 18.125 -5.859 0.425 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 9 . 2099 . 1 1 2 GLN HB2 H 15.837 -5.663 1.245 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2100 . 1 1 2 GLN HB3 H 15.504 -7.317 0.765 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2101 . 1 1 2 GLN HE21 H 17.544 -4.760 1.728 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 9 . 2102 . 1 1 2 GLN HE22 H 18.675 -4.410 2.944 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 9 . 2103 . 1 1 2 GLN HG2 H 15.940 -7.230 3.125 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2104 . 1 1 2 GLN HG3 H 17.227 -8.100 2.324 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 9 . 2105 . 1 1 2 GLN N N 16.784 -6.097 -1.124 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 9 . 2106 . 1 1 2 GLN NE2 N 18.023 -5.020 2.543 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 9 . 2107 . 1 1 2 GLN O O 19.080 -8.212 0.458 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 9 . 2108 . 1 1 2 GLN OE1 O 18.345 -6.475 4.150 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 9 . 2109 . 1 1 3 LYS C C 17.533 -5.496 -2.064 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 9 . 2110 . 1 1 3 LYS CA C 16.817 -5.027 -3.326 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 9 . 2111 . 1 1 3 LYS CB C 17.331 -5.784 -4.565 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 9 . 2112 . 1 1 3 LYS CD C 19.320 -6.113 -6.143 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 9 . 2113 . 1 1 3 LYS CE C 19.187 -7.647 -6.144 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 9 . 2114 . 1 1 3 LYS CG C 18.811 -5.465 -4.833 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 9 . 2115 . 1 1 3 LYS H H 17.702 -3.229 -4.055 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 9 . 2116 . 1 1 3 LYS HA H 15.778 -5.257 -3.211 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 9 . 2117 . 1 1 3 LYS HB2 H 17.222 -6.833 -4.369 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2118 . 1 1 3 LYS HB3 H 16.740 -5.513 -5.427 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2119 . 1 1 3 LYS HD2 H 18.753 -5.715 -6.971 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 9 . 2120 . 1 1 3 LYS HD3 H 20.360 -5.852 -6.277 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 9 . 2121 . 1 1 3 LYS HE2 H 19.641 -8.042 -7.040 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 9 . 2122 . 1 1 3 LYS HE3 H 19.699 -8.049 -5.281 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 9 . 2123 . 1 1 3 LYS HG2 H 18.939 -4.398 -4.902 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2124 . 1 1 3 LYS HG3 H 19.407 -5.837 -4.015 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 9 . 2125 . 1 1 3 LYS HZ1 H 17.553 -8.690 -6.903 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 9 . 2126 . 1 1 3 LYS HZ2 H 17.151 -7.214 -6.165 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 9 . 2127 . 1 1 3 LYS HZ3 H 17.564 -8.559 -5.212 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 9 . 2128 . 1 1 3 LYS N N 16.960 -3.575 -3.519 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 9 . 2129 . 1 1 3 LYS NZ N 17.757 -8.058 -6.102 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 9 . 2130 . 1 1 3 LYS O O 18.740 -5.307 -1.917 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 9 . 2131 . 1 1 4 PHE C C 16.084 -2.719 -2.987 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 9 . 2132 . 1 1 4 PHE CA C 16.309 -1.229 -3.258 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 9 . 2133 . 1 1 4 PHE CB C 17.158 -0.584 -2.153 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 9 . 2134 . 1 1 4 PHE CD1 C 16.592 -2.117 -0.244 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 9 . 2135 . 1 1 4 PHE CD2 C 15.742 0.147 -0.206 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 9 . 2136 . 1 1 4 PHE CE1 C 15.914 -2.391 0.942 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 9 . 2137 . 1 1 4 PHE CE2 C 15.075 -0.135 0.991 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 9 . 2138 . 1 1 4 PHE CG C 16.510 -0.845 -0.819 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 9 . 2139 . 1 1 4 PHE CZ C 15.157 -1.395 1.558 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 9 . 2140 . 1 1 4 PHE H H 14.439 -0.557 -2.491 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 9 . 2141 . 1 1 4 PHE HA H 16.814 -1.115 -4.203 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 9 . 2142 . 1 1 4 PHE HB2 H 18.151 -1.013 -2.164 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2143 . 1 1 4 PHE HB3 H 17.223 0.481 -2.321 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2144 . 1 1 4 PHE HD1 H 17.191 -2.883 -0.711 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 9 . 2145 . 1 1 4 PHE HD2 H 15.678 1.131 -0.648 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 9 . 2146 . 1 1 4 PHE HE1 H 15.989 -3.366 1.390 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 9 . 2147 . 1 1 4 PHE HE2 H 14.487 0.612 1.473 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 9 . 2148 . 1 1 4 PHE HZ H 14.605 -1.603 2.460 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 9 . 2149 . 1 1 4 PHE N N 15.007 -0.544 -3.294 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 9 . 2150 . 1 1 4 PHE O O 15.121 -3.090 -2.314 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 9 . 2151 . 1 1 5 ILE C C 14.588 0.113 -4.384 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 9 . 2152 . 1 1 5 ILE CA C 13.223 0.803 -4.290 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 9 . 2153 . 1 1 5 ILE CB C 12.523 0.765 -5.661 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 9 . 2154 . 1 1 5 ILE CD1 C 10.477 1.515 -6.920 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 9 . 2155 . 1 1 5 ILE CG1 C 11.169 1.482 -5.552 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 9 . 2156 . 1 1 5 ILE CG2 C 12.287 -0.685 -6.104 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2157 . 1 1 5 ILE H H 13.787 2.832 -4.536 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 9 . 2158 . 1 1 5 ILE HA H 12.610 0.287 -3.565 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 9 . 2159 . 1 1 5 ILE HB H 13.141 1.272 -6.391 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 9 . 2160 . 1 1 5 ILE HD11 H 11.113 2.013 -7.636 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 9 . 2161 . 1 1 5 ILE HD12 H 9.542 2.050 -6.838 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 9 . 2162 . 1 1 5 ILE HD13 H 10.283 0.505 -7.253 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 9 . 2163 . 1 1 5 ILE HG12 H 10.542 0.958 -4.845 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 9 . 2164 . 1 1 5 ILE HG13 H 11.327 2.494 -5.208 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 9 . 2165 . 1 1 5 ILE HG21 H 13.225 -1.217 -6.130 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 9 . 2166 . 1 1 5 ILE HG22 H 11.846 -0.695 -7.091 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 9 . 2167 . 1 1 5 ILE HG23 H 11.616 -1.169 -5.410 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 9 . 2168 . 1 1 5 ILE N N 13.394 2.205 -3.893 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 9 . 2169 . 1 1 5 ILE O O 15.257 0.185 -5.415 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 9 . 2170 . 1 1 6 ARG C C 13.024 2.661 -2.695 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 9 . 2171 . 1 1 6 ARG CA C 13.260 4.153 -2.457 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 9 . 2172 . 1 1 6 ARG CB C 14.579 4.377 -1.720 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 9 . 2173 . 1 1 6 ARG CD C 17.035 4.095 -1.779 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 9 . 2174 . 1 1 6 ARG CG C 15.741 3.818 -2.534 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 9 . 2175 . 1 1 6 ARG CZ C 18.046 3.525 0.353 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 9 . 2176 . 1 1 6 ARG H H 12.360 5.071 -0.779 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 9 . 2177 . 1 1 6 ARG HA H 13.309 4.655 -3.412 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 9 . 2178 . 1 1 6 ARG HB2 H 14.727 5.436 -1.566 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2179 . 1 1 6 ARG HB3 H 14.545 3.881 -0.765 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2180 . 1 1 6 ARG HD2 H 17.873 3.754 -2.363 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 9 . 2181 . 1 1 6 ARG HD3 H 17.118 5.160 -1.615 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 9 . 2182 . 1 1 6 ARG HE H 16.258 2.855 -0.246 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 9 . 2183 . 1 1 6 ARG HG2 H 15.618 2.753 -2.664 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2184 . 1 1 6 ARG HG3 H 15.776 4.302 -3.498 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 9 . 2185 . 1 1 6 ARG HH11 H 19.092 4.751 -0.835 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 9 . 2186 . 1 1 6 ARG HH12 H 19.840 4.354 0.675 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 9 . 2187 . 1 1 6 ARG HH21 H 17.231 2.333 1.739 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 9 . 2188 . 1 1 6 ARG HH22 H 18.787 2.984 2.133 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 9 . 2189 . 1 1 6 ARG N N 12.175 4.729 -1.681 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 9 . 2190 . 1 1 6 ARG NE N 17.027 3.411 -0.492 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 9 . 2191 . 1 1 6 ARG NH1 N 19.073 4.268 0.041 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 9 . 2192 . 1 1 6 ARG NH2 N 18.018 2.899 1.498 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 9 . 2193 . 1 1 6 ARG O O 12.511 1.949 -1.823 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 9 . 2194 . 1 1 7 VAL C C 10.944 4.807 -2.182 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 9 . 2195 . 1 1 7 VAL CA C 9.877 5.436 -1.288 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 9 . 2196 . 1 1 7 VAL CB C 8.525 4.782 -1.590 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 9 . 2197 . 1 1 7 VAL CG1 C 8.626 3.274 -1.345 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 9 . 2198 . 1 1 7 VAL CG2 C 7.448 5.377 -0.675 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2199 . 1 1 7 VAL H H 9.674 7.201 -2.451 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 9 . 2200 . 1 1 7 VAL HA H 10.129 5.246 -0.257 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 9 . 2201 . 1 1 7 VAL HB H 8.263 4.961 -2.623 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 9 . 2202 . 1 1 7 VAL HG11 H 9.227 2.824 -2.120 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 9 . 2203 . 1 1 7 VAL HG12 H 7.637 2.841 -1.358 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 9 . 2204 . 1 1 7 VAL HG13 H 9.085 3.096 -0.384 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 9 . 2205 . 1 1 7 VAL HG21 H 6.472 5.157 -1.081 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 9 . 2206 . 1 1 7 VAL HG22 H 7.576 6.447 -0.612 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 9 . 2207 . 1 1 7 VAL HG23 H 7.532 4.947 0.312 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 9 . 2208 . 1 1 7 VAL N N 9.793 6.886 -1.531 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 9 . 2209 . 1 1 7 VAL O O 10.656 4.402 -3.308 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 9 . 2210 . 1 1 8 . C11 C 9.490 12.064 -0.284 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 9 . 2211 . 1 1 8 . C12 C 8.326 11.281 -0.871 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 9 . 2212 . 1 1 8 . C13 C 8.436 9.817 -0.476 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 9 . 2213 . 1 1 8 . C14 C 9.757 9.247 -0.967 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 9 . 2214 . 1 1 8 . C15 C 9.866 7.775 -0.564 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 9 . 2215 . 1 1 8 . C7 C 10.940 9.935 1.143 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 9 . 2216 . 1 1 8 . C8 C 10.924 10.031 -0.384 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 9 . 2217 . 1 1 8 . C9 C 10.799 11.490 -0.799 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 9 . 2218 . 1 1 8 . H111 H 9.472 11.991 0.804 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 9 . 2219 . 1 1 8 . H112 H 9.410 13.111 -0.578 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 9 . 2220 . 1 1 8 . H12 H 8.353 11.371 -1.956 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 9 . 2221 . 1 1 8 . H14 H 9.786 9.316 -2.054 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 9 . 2222 . 1 1 8 . H8 H 11.860 9.633 -0.774 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 9 . 2223 . 1 1 8 . H9 H 11.637 12.052 -0.386 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 9 . 2224 . 1 1 8 . HAG H 7.386 11.688 -0.498 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 9 . 2225 . 1 1 8 . HAI H 10.818 11.561 -1.887 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 9 . 2226 . 1 1 8 . HAK H 8.365 9.716 0.606 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 9 . 2227 . 1 1 8 . HAL H 7.615 9.269 -0.938 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 9 . 2228 . 1 1 8 . O1 O 9.918 10.125 1.800 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 9 . 2229 . 1 1 8 . OAB O 10.011 7.460 0.616 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 9 . 2230 . 1 1 9 GLY C C 12.204 8.097 3.603 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 9 . 2231 . 1 1 9 GLY CA C 12.237 9.556 3.166 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 9 . 2232 . 1 1 9 GLY H H 12.879 9.535 1.142 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 9 . 2233 . 1 1 9 GLY HA2 H 13.183 9.989 3.456 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 9 . 2234 . 1 1 9 GLY HA3 H 11.438 10.092 3.661 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 9 . 2235 . 1 1 9 GLY N N 12.091 9.664 1.709 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 9 . 2236 . 1 1 9 GLY O O 13.215 7.544 4.035 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 9 . 2237 . 1 1 10 VAL C C 11.232 5.191 2.677 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 9 . 2238 . 1 1 10 VAL CA C 10.867 6.087 3.853 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 9 . 2239 . 1 1 10 VAL CB C 9.413 5.857 4.254 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 9 . 2240 . 1 1 10 VAL CG1 C 9.062 6.752 5.445 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 9 . 2241 . 1 1 10 VAL CG2 C 8.494 6.196 3.077 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2242 . 1 1 10 VAL H H 10.265 7.963 3.128 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 9 . 2243 . 1 1 10 VAL HA H 11.505 5.857 4.694 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 9 . 2244 . 1 1 10 VAL HB H 9.282 4.831 4.528 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 9 . 2245 . 1 1 10 VAL HG11 H 9.291 7.780 5.203 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 9 . 2246 . 1 1 10 VAL HG12 H 9.638 6.449 6.307 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 9 . 2247 . 1 1 10 VAL HG13 H 8.008 6.661 5.666 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 9 . 2248 . 1 1 10 VAL HG21 H 7.463 6.111 3.388 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 9 . 2249 . 1 1 10 VAL HG22 H 8.681 5.510 2.265 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 9 . 2250 . 1 1 10 VAL HG23 H 8.687 7.206 2.745 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 9 . 2251 . 1 1 10 VAL N N 11.035 7.478 3.481 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 9 . 2252 . 1 1 10 VAL O O 11.459 5.676 1.570 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 9 . 2253 . 1 1 11 THR C C 11.255 1.523 2.245 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 9 . 2254 . 1 1 11 THR CA C 11.638 2.956 1.846 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 9 . 2255 . 1 1 11 THR CB C 13.116 3.098 1.503 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 9 . 2256 . 1 1 11 THR CG2 C 13.977 2.798 2.737 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2257 . 1 1 11 THR H H 11.114 3.547 3.815 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 9 . 2258 . 1 1 11 THR HA H 11.059 3.224 0.972 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 9 . 2259 . 1 1 11 THR HB H 13.304 4.114 1.188 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 9 . 2260 . 1 1 11 THR HG1 H 12.663 1.679 0.259 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 9 . 2261 . 1 1 11 THR HG21 H 13.629 1.895 3.214 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 9 . 2262 . 1 1 11 THR HG22 H 13.905 3.622 3.431 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 9 . 2263 . 1 1 11 THR HG23 H 15.006 2.674 2.435 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 9 . 2264 . 1 1 11 THR N N 11.298 3.887 2.915 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 9 . 2265 . 1 1 11 THR O O 10.759 1.310 3.350 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 9 . 2266 . 1 1 11 THR OG1 O 13.434 2.220 0.439 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 9 . 2267 . 1 1 12 ILE C C 12.105 -1.883 1.263 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 9 . 2268 . 1 1 12 ILE CA C 11.038 -0.854 1.631 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 9 . 2269 . 1 1 12 ILE CB C 9.748 -1.192 0.861 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 9 . 2270 . 1 1 12 ILE CD1 C 8.236 -0.379 2.761 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 9 . 2271 . 1 1 12 ILE CG1 C 8.591 -0.252 1.267 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 9 . 2272 . 1 1 12 ILE CG2 C 9.350 -2.648 1.128 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2273 . 1 1 12 ILE H H 11.822 0.758 0.461 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 9 . 2274 . 1 1 12 ILE HA H 10.854 -0.948 2.684 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 9 . 2275 . 1 1 12 ILE HB H 9.940 -1.077 -0.197 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 9 . 2276 . 1 1 12 ILE HD11 H 7.161 -0.398 2.866 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 9 . 2277 . 1 1 12 ILE HD12 H 8.625 0.469 3.297 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 9 . 2278 . 1 1 12 ILE HD13 H 8.646 -1.286 3.178 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 9 . 2279 . 1 1 12 ILE HG12 H 8.879 0.768 1.059 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 9 . 2280 . 1 1 12 ILE HG13 H 7.720 -0.497 0.677 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 9 . 2281 . 1 1 12 ILE HG21 H 8.315 -2.798 0.859 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 9 . 2282 . 1 1 12 ILE HG22 H 9.484 -2.874 2.176 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 9 . 2283 . 1 1 12 ILE HG23 H 9.972 -3.301 0.538 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 9 . 2284 . 1 1 12 ILE N N 11.440 0.542 1.339 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 9 . 2285 . 1 1 12 ILE O O 12.911 -1.668 0.359 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 9 . 2286 . 1 1 13 ARG C C 12.358 -5.327 1.101 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 9 . 2287 . 1 1 13 ARG CA C 13.026 -4.122 1.765 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 9 . 2288 . 1 1 13 ARG CB C 13.713 -4.513 3.102 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 9 . 2289 . 1 1 13 ARG CD C 11.973 -6.220 3.805 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 9 . 2290 . 1 1 13 ARG CG C 12.726 -4.948 4.208 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 9 . 2291 . 1 1 13 ARG CZ C 13.678 -7.850 4.404 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 9 . 2292 . 1 1 13 ARG H H 11.392 -3.121 2.680 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 9 . 2293 . 1 1 13 ARG HA H 13.784 -3.779 1.089 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 9 . 2294 . 1 1 13 ARG HB2 H 14.386 -5.332 2.921 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2295 . 1 1 13 ARG HB3 H 14.285 -3.671 3.458 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2296 . 1 1 13 ARG HD2 H 11.392 -6.545 4.657 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 9 . 2297 . 1 1 13 ARG HD3 H 11.298 -6.034 2.999 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 9 . 2298 . 1 1 13 ARG HE H 13.021 -7.568 2.519 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 9 . 2299 . 1 1 13 ARG HG2 H 13.276 -5.132 5.119 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2300 . 1 1 13 ARG HG3 H 12.016 -4.153 4.380 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 9 . 2301 . 1 1 13 ARG HH11 H 12.945 -6.729 5.890 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 9 . 2302 . 1 1 13 ARG HH12 H 14.154 -7.880 6.348 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 9 . 2303 . 1 1 13 ARG HH21 H 14.581 -9.113 3.141 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 9 . 2304 . 1 1 13 ARG HH22 H 15.073 -9.231 4.797 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 9 . 2305 . 1 1 13 ARG N N 12.075 -3.022 1.984 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 9 . 2306 . 1 1 13 ARG NE N 12.920 -7.286 3.466 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 9 . 2307 . 1 1 13 ARG NH1 N 13.585 -7.455 5.643 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 9 . 2308 . 1 1 13 ARG NH2 N 14.510 -8.804 4.089 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 9 . 2309 . 1 1 13 ARG O O 11.178 -5.273 0.765 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 9 . 2310 . 1 1 14 GLU C C 12.426 -7.323 -1.251 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 9 . 2311 . 1 1 14 GLU CA C 12.643 -7.620 0.227 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 9 . 2312 . 1 1 14 GLU CB C 11.325 -8.136 0.876 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 9 . 2313 . 1 1 14 GLU CD C 10.541 -9.375 -1.206 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 9 . 2314 . 1 1 14 GLU CG C 10.880 -9.488 0.277 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 9 . 2315 . 1 1 14 GLU H H 14.073 -6.350 1.159 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 9 . 2316 . 1 1 14 GLU HA H 13.402 -8.387 0.316 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 9 . 2317 . 1 1 14 GLU HB2 H 11.466 -8.260 1.934 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2318 . 1 1 14 GLU HB3 H 10.540 -7.417 0.710 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2319 . 1 1 14 GLU HG2 H 11.676 -10.206 0.401 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2320 . 1 1 14 GLU HG3 H 10.008 -9.837 0.812 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 9 . 2321 . 1 1 14 GLU N N 13.134 -6.393 0.886 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 9 . 2322 . 1 1 14 GLU O O 12.658 -8.184 -2.099 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 9 . 2323 . 1 1 14 GLU OE1 O 9.662 -8.596 -1.536 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 9 . 2324 . 1 1 14 GLU OE2 O 11.165 -10.071 -1.990 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 9 . 2325 . 1 1 15 LYS C C 11.853 -6.649 -3.931 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 9 . 2326 . 1 1 15 LYS CA C 11.712 -5.565 -2.859 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 9 . 2327 . 1 1 15 LYS CB C 12.665 -4.380 -3.090 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 9 . 2328 . 1 1 15 LYS CD C 12.446 -4.306 -5.707 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 9 . 2329 . 1 1 15 LYS CE C 13.866 -4.856 -5.949 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 9 . 2330 . 1 1 15 LYS CG C 12.335 -3.553 -4.354 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 9 . 2331 . 1 1 15 LYS H H 11.843 -5.475 -0.780 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 9 . 2332 . 1 1 15 LYS HA H 10.710 -5.198 -2.874 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 9 . 2333 . 1 1 15 LYS HB2 H 12.605 -3.723 -2.230 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 9 . 2334 . 1 1 15 LYS HB3 H 13.660 -4.747 -3.155 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 9 . 2335 . 1 1 15 LYS HD2 H 11.728 -5.098 -5.758 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 9 . 2336 . 1 1 15 LYS HD3 H 12.221 -3.602 -6.497 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 9 . 2337 . 1 1 15 LYS HE2 H 14.136 -5.551 -5.180 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 9 . 2338 . 1 1 15 LYS HE3 H 13.892 -5.362 -6.904 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 9 . 2339 . 1 1 15 LYS HG2 H 11.327 -3.192 -4.253 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 9 . 2340 . 1 1 15 LYS HG3 H 12.998 -2.705 -4.370 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 9 . 2341 . 1 1 15 LYS HZ1 H 15.676 -4.009 -6.530 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 9 . 2342 . 1 1 15 LYS HZ2 H 15.142 -3.516 -4.994 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 9 . 2343 . 1 1 15 LYS HZ3 H 14.404 -2.896 -6.394 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 9 . 2344 . 1 1 15 LYS N N 11.987 -6.085 -1.523 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 9 . 2345 . 1 1 15 LYS NZ N 14.845 -3.734 -5.967 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 9 . 2346 . 1 1 15 LYS O O 12.940 -7.180 -4.151 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 9 . 2347 . 1 1 16 NH2 HN1 H 9.932 -6.592 -4.433 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 9 . 2348 . 1 1 16 NH2 HN2 H 10.873 -7.714 -5.292 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 9 . 2349 . 1 1 16 NH2 N N 10.799 -7.016 -4.608 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 1 . 10 . 2350 . 1 1 1 NH2 HN1 H 21.269 -6.747 1.052 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 10 . 2351 . 1 1 1 NH2 HN2 H 20.929 -8.232 0.302 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 10 . 2352 . 1 1 1 NH2 N N 20.724 -7.283 0.439 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c25765_2n6i 1 . 10 . 2353 . 1 1 2 GLN C C 19.727 -6.732 -0.199 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . c25765_2n6i 1 . 10 . 2354 . 1 1 2 GLN CA C 19.421 -5.253 0.023 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . c25765_2n6i 1 . 10 . 2355 . 1 1 2 GLN CB C 18.820 -5.029 1.425 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . c25765_2n6i 1 . 10 . 2356 . 1 1 2 GLN CD C 17.296 -7.040 1.156 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . c25765_2n6i 1 . 10 . 2357 . 1 1 2 GLN CG C 17.373 -5.544 1.480 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . c25765_2n6i 1 . 10 . 2358 . 1 1 2 GLN H H 18.322 -5.322 -1.784 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . c25765_2n6i 1 . 10 . 2359 . 1 1 2 GLN HA H 20.354 -4.707 -0.037 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . c25765_2n6i 1 . 10 . 2360 . 1 1 2 GLN HB2 H 19.410 -5.571 2.150 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2361 . 1 1 2 GLN HB3 H 18.837 -3.981 1.674 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2362 . 1 1 2 GLN HE21 H 16.046 -6.820 -0.396 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . c25765_2n6i 1 . 10 . 2363 . 1 1 2 GLN HE22 H 16.503 -8.417 -0.050 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . c25765_2n6i 1 . 10 . 2364 . 1 1 2 GLN HG2 H 16.975 -5.372 2.469 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2365 . 1 1 2 GLN HG3 H 16.789 -4.989 0.772 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . c25765_2n6i 1 . 10 . 2366 . 1 1 2 GLN N N 18.531 -4.740 -1.020 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . c25765_2n6i 1 . 10 . 2367 . 1 1 2 GLN NE2 N 16.556 -7.460 0.151 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . c25765_2n6i 1 . 10 . 2368 . 1 1 2 GLN O O 19.042 -7.404 -0.970 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . c25765_2n6i 1 . 10 . 2369 . 1 1 2 GLN OE1 O 17.915 -7.851 1.842 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . c25765_2n6i 1 . 10 . 2370 . 1 1 3 LYS C C 17.990 -3.523 -0.977 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25765_2n6i 1 . 10 . 2371 . 1 1 3 LYS CA C 17.082 -3.168 -2.149 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25765_2n6i 1 . 10 . 2372 . 1 1 3 LYS CB C 17.685 -3.745 -3.432 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25765_2n6i 1 . 10 . 2373 . 1 1 3 LYS CD C 19.652 -3.800 -4.927 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25765_2n6i 1 . 10 . 2374 . 1 1 3 LYS CE C 21.053 -3.262 -5.179 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25765_2n6i 1 . 10 . 2375 . 1 1 3 LYS CG C 19.079 -3.167 -3.670 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25765_2n6i 1 . 10 . 2376 . 1 1 3 LYS H H 17.339 -1.156 -1.564 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25765_2n6i 1 . 10 . 2377 . 1 1 3 LYS HA H 16.115 -3.623 -1.981 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25765_2n6i 1 . 10 . 2378 . 1 1 3 LYS HB2 H 17.752 -4.819 -3.347 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2379 . 1 1 3 LYS HB3 H 17.052 -3.499 -4.269 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2380 . 1 1 3 LYS HD2 H 19.694 -4.873 -4.802 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 10 . 2381 . 1 1 3 LYS HD3 H 19.020 -3.561 -5.769 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 10 . 2382 . 1 1 3 LYS HE2 H 21.011 -2.195 -5.339 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 10 . 2383 . 1 1 3 LYS HE3 H 21.685 -3.479 -4.330 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 10 . 2384 . 1 1 3 LYS HG2 H 19.011 -2.097 -3.798 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2385 . 1 1 3 LYS HG3 H 19.724 -3.393 -2.835 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 10 . 2386 . 1 1 3 LYS HZ1 H 22.631 -3.886 -6.371 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 10 . 2387 . 1 1 3 LYS HZ2 H 21.233 -3.451 -7.235 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 10 . 2388 . 1 1 3 LYS HZ3 H 21.288 -4.923 -6.385 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 10 . 2389 . 1 1 3 LYS N N 16.907 -1.725 -2.227 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25765_2n6i 1 . 10 . 2390 . 1 1 3 LYS NZ N 21.594 -3.928 -6.385 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25765_2n6i 1 . 10 . 2391 . 1 1 3 LYS O O 18.187 -2.715 -0.072 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25765_2n6i 1 . 10 . 2392 . 1 1 4 PHE C C 16.130 -1.163 -3.143 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25765_2n6i 1 . 10 . 2393 . 1 1 4 PHE CA C 15.988 0.356 -3.056 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25765_2n6i 1 . 10 . 2394 . 1 1 4 PHE CB C 16.417 0.824 -1.660 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25765_2n6i 1 . 10 . 2395 . 1 1 4 PHE CD1 C 14.371 -0.553 -0.852 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25765_2n6i 1 . 10 . 2396 . 1 1 4 PHE CD2 C 15.825 0.509 0.777 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25765_2n6i 1 . 10 . 2397 . 1 1 4 PHE CE1 C 13.577 -1.034 0.173 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25765_2n6i 1 . 10 . 2398 . 1 1 4 PHE CE2 C 15.005 0.019 1.804 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25765_2n6i 1 . 10 . 2399 . 1 1 4 PHE CG C 15.519 0.231 -0.563 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25765_2n6i 1 . 10 . 2400 . 1 1 4 PHE CZ C 13.880 -0.753 1.495 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25765_2n6i 1 . 10 . 2401 . 1 1 4 PHE H H 14.026 0.898 -2.500 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25765_2n6i 1 . 10 . 2402 . 1 1 4 PHE HA H 16.617 0.816 -3.793 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25765_2n6i 1 . 10 . 2403 . 1 1 4 PHE HB2 H 17.439 0.533 -1.482 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2404 . 1 1 4 PHE HB3 H 16.350 1.901 -1.620 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2405 . 1 1 4 PHE HD1 H 14.091 -0.800 -1.851 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25765_2n6i 1 . 10 . 2406 . 1 1 4 PHE HD2 H 16.694 1.103 1.019 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25765_2n6i 1 . 10 . 2407 . 1 1 4 PHE HE1 H 12.717 -1.623 -0.064 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25765_2n6i 1 . 10 . 2408 . 1 1 4 PHE HE2 H 15.248 0.225 2.834 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25765_2n6i 1 . 10 . 2409 . 1 1 4 PHE HZ H 13.233 -1.120 2.275 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25765_2n6i 1 . 10 . 2410 . 1 1 4 PHE N N 14.596 0.729 -3.279 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25765_2n6i 1 . 10 . 2411 . 1 1 4 PHE O O 15.502 -1.806 -3.984 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25765_2n6i 1 . 10 . 2412 . 1 1 5 ILE C C 14.056 0.789 -4.483 . . . 1.0 . . . . . . . . . . . . A . 13 ILE C . . . . . . . . . c25765_2n6i 1 . 10 . 2413 . 1 1 5 ILE CA C 12.565 1.124 -4.497 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CA . . . . . . . . . c25765_2n6i 1 . 10 . 2414 . 1 1 5 ILE CB C 11.871 0.433 -5.690 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CB . . . . . . . . . c25765_2n6i 1 . 10 . 2415 . 1 1 5 ILE CD1 C 11.520 -1.668 -4.320 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 10 . 2416 . 1 1 5 ILE CG1 C 12.095 -1.092 -5.623 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 10 . 2417 . 1 1 5 ILE CG2 C 12.424 0.966 -7.035 . . . 1.0 . . . . . . . . . . . . A . 13 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2418 . 1 1 5 ILE H H 12.559 3.057 -5.359 . . . 1.0 . . . . . . . . . . . . A . 13 ILE H . . . . . . . . . c25765_2n6i 1 . 10 . 2419 . 1 1 5 ILE HA H 12.130 0.736 -3.587 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HA . . . . . . . . . c25765_2n6i 1 . 10 . 2420 . 1 1 5 ILE HB H 10.808 0.637 -5.640 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HB . . . . . . . . . c25765_2n6i 1 . 10 . 2421 . 1 1 5 ILE HD11 H 11.265 -2.707 -4.472 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 10 . 2422 . 1 1 5 ILE HD12 H 10.634 -1.120 -4.033 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 10 . 2423 . 1 1 5 ILE HD13 H 12.260 -1.593 -3.537 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 10 . 2424 . 1 1 5 ILE HG12 H 11.602 -1.557 -6.463 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 10 . 2425 . 1 1 5 ILE HG13 H 13.151 -1.304 -5.672 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 10 . 2426 . 1 1 5 ILE HG21 H 12.731 1.993 -6.927 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 10 . 2427 . 1 1 5 ILE HG22 H 11.654 0.905 -7.791 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 10 . 2428 . 1 1 5 ILE HG23 H 13.272 0.371 -7.349 . . . 1.0 . . . . . . . . . . . . A . 13 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 10 . 2429 . 1 1 5 ILE N N 12.328 2.568 -4.549 . . . 1.0 . . . . . . . . . . . . A . 13 ILE N . . . . . . . . . c25765_2n6i 1 . 10 . 2430 . 1 1 5 ILE O O 14.674 0.539 -5.517 . . . 1.0 . . . . . . . . . . . . A . 13 ILE O . . . . . . . . . c25765_2n6i 1 . 10 . 2431 . 1 1 6 ARG C C 11.772 3.233 -3.527 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c25765_2n6i 1 . 10 . 2432 . 1 1 6 ARG CA C 11.551 4.736 -3.757 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c25765_2n6i 1 . 10 . 2433 . 1 1 6 ARG CB C 12.354 5.188 -4.993 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c25765_2n6i 1 . 10 . 2434 . 1 1 6 ARG CD C 10.708 7.040 -5.598 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c25765_2n6i 1 . 10 . 2435 . 1 1 6 ARG CG C 12.173 6.689 -5.301 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c25765_2n6i 1 . 10 . 2436 . 1 1 6 ARG CZ C 8.971 6.386 -7.163 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c25765_2n6i 1 . 10 . 2437 . 1 1 6 ARG H H 11.169 5.904 -2.041 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c25765_2n6i 1 . 10 . 2438 . 1 1 6 ARG HA H 10.506 4.869 -3.961 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c25765_2n6i 1 . 10 . 2439 . 1 1 6 ARG HB2 H 13.397 4.985 -4.838 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2440 . 1 1 6 ARG HB3 H 12.016 4.622 -5.847 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2441 . 1 1 6 ARG HD2 H 10.094 6.859 -4.736 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 10 . 2442 . 1 1 6 ARG HD3 H 10.648 8.091 -5.848 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 10 . 2443 . 1 1 6 ARG HE H 10.824 5.632 -7.177 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c25765_2n6i 1 . 10 . 2444 . 1 1 6 ARG HG2 H 12.508 7.264 -4.460 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2445 . 1 1 6 ARG HG3 H 12.775 6.944 -6.161 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 10 . 2446 . 1 1 6 ARG HH11 H 8.473 7.761 -5.797 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 10 . 2447 . 1 1 6 ARG HH12 H 7.216 7.314 -6.901 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 10 . 2448 . 1 1 6 ARG HH21 H 9.181 5.039 -8.630 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 10 . 2449 . 1 1 6 ARG HH22 H 7.617 5.772 -8.504 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 10 . 2450 . 1 1 6 ARG N N 11.897 5.529 -2.566 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c25765_2n6i 1 . 10 . 2451 . 1 1 6 ARG NE N 10.220 6.260 -6.729 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c25765_2n6i 1 . 10 . 2452 . 1 1 6 ARG NH1 N 8.157 7.219 -6.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 10 . 2453 . 1 1 6 ARG NH2 N 8.557 5.677 -8.178 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 10 . 2454 . 1 1 6 ARG O O 11.417 2.680 -2.470 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c25765_2n6i 1 . 10 . 2455 . 1 1 7 VAL C C 13.153 5.762 -2.166 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . c25765_2n6i 1 . 10 . 2456 . 1 1 7 VAL CA C 13.307 6.617 -0.896 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . c25765_2n6i 1 . 10 . 2457 . 1 1 7 VAL CB C 12.798 8.058 -1.133 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . c25765_2n6i 1 . 10 . 2458 . 1 1 7 VAL CG1 C 13.653 8.768 -2.206 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 10 . 2459 . 1 1 7 VAL CG2 C 11.320 8.031 -1.561 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2460 . 1 1 7 VAL H H 15.392 6.244 -1.024 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . c25765_2n6i 1 . 10 . 2461 . 1 1 7 VAL HA H 12.719 6.170 -0.109 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . c25765_2n6i 1 . 10 . 2462 . 1 1 7 VAL HB H 12.877 8.611 -0.209 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . c25765_2n6i 1 . 10 . 2463 . 1 1 7 VAL HG11 H 14.490 9.260 -1.730 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 10 . 2464 . 1 1 7 VAL HG12 H 13.056 9.507 -2.722 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 10 . 2465 . 1 1 7 VAL HG13 H 14.026 8.051 -2.920 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 10 . 2466 . 1 1 7 VAL HG21 H 11.249 7.817 -2.614 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 10 . 2467 . 1 1 7 VAL HG22 H 10.875 8.994 -1.363 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 10 . 2468 . 1 1 7 VAL HG23 H 10.793 7.273 -1.000 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 10 . 2469 . 1 1 7 VAL N N 14.703 6.659 -0.464 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . c25765_2n6i 1 . 10 . 2470 . 1 1 7 VAL O O 14.146 5.331 -2.749 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . c25765_2n6i 1 . 10 . 2471 . 1 1 8 . C11 C 18.718 7.593 2.924 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C11 . . . . . . . . . c25765_2n6i 1 . 10 . 2472 . 1 1 8 . C12 C 18.420 8.636 1.859 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C12 . . . . . . . . . c25765_2n6i 1 . 10 . 2473 . 1 1 8 . C13 C 16.937 8.622 1.527 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C13 . . . . . . . . . c25765_2n6i 1 . 10 . 2474 . 1 1 8 . C14 C 16.541 7.245 1.015 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C14 . . . . . . . . . c25765_2n6i 1 . 10 . 2475 . 1 1 8 . C15 C 15.054 7.246 0.653 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C15 . . . . . . . . . c25765_2n6i 1 . 10 . 2476 . 1 1 8 . C7 C 15.984 6.489 3.334 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C7 . . . . . . . . . c25765_2n6i 1 . 10 . 2477 . 1 1 8 . C8 C 16.819 6.200 2.085 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C8 . . . . . . . . . c25765_2n6i 1 . 10 . 2478 . 1 1 8 . C9 C 18.302 6.218 2.427 . . . 1.0 . . . . . . . . . . . . A . 16 4FU C9 . . . . . . . . . c25765_2n6i 1 . 10 . 2479 . 1 1 8 . H111 H 18.170 7.831 3.835 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H111 . . . . . . . . . c25765_2n6i 1 . 10 . 2480 . 1 1 8 . H112 H 19.787 7.592 3.137 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H112 . . . . . . . . . c25765_2n6i 1 . 10 . 2481 . 1 1 8 . H12 H 18.998 8.403 0.965 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H12 . . . . . . . . . c25765_2n6i 1 . 10 . 2482 . 1 1 8 . H14 H 17.124 7.017 0.122 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H14 . . . . . . . . . c25765_2n6i 1 . 10 . 2483 . 1 1 8 . H8 H 16.556 5.214 1.703 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H8 . . . . . . . . . c25765_2n6i 1 . 10 . 2484 . 1 1 8 . H9 H 18.495 5.474 3.202 . . . 1.0 . . . . . . . . . . . . A . 16 4FU H9 . . . . . . . . . c25765_2n6i 1 . 10 . 2485 . 1 1 8 . HAG H 18.701 9.624 2.224 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAG . . . . . . . . . c25765_2n6i 1 . 10 . 2486 . 1 1 8 . HAI H 18.881 5.969 1.539 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAI . . . . . . . . . c25765_2n6i 1 . 10 . 2487 . 1 1 8 . HAK H 16.358 8.858 2.420 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAK . . . . . . . . . c25765_2n6i 1 . 10 . 2488 . 1 1 8 . HAL H 16.739 9.370 0.760 . . . 1.0 . . . . . . . . . . . . A . 16 4FU HAL . . . . . . . . . c25765_2n6i 1 . 10 . 2489 . 1 1 8 . O1 O 16.522 6.779 4.401 . . . 1.0 . . . . . . . . . . . . A . 16 4FU O1 . . . . . . . . . c25765_2n6i 1 . 10 . 2490 . 1 1 8 . OAB O 14.239 7.792 1.394 . . . 1.0 . . . . . . . . . . . . A . 16 4FU OAB . . . . . . . . . c25765_2n6i 1 . 10 . 2491 . 1 1 9 GLY C C 12.451 5.932 4.075 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25765_2n6i 1 . 10 . 2492 . 1 1 9 GLY CA C 13.775 6.642 4.325 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25765_2n6i 1 . 10 . 2493 . 1 1 9 GLY H H 14.314 6.155 2.336 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25765_2n6i 1 . 10 . 2494 . 1 1 9 GLY HA2 H 14.214 6.270 5.243 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25765_2n6i 1 . 10 . 2495 . 1 1 9 GLY HA3 H 13.596 7.703 4.418 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25765_2n6i 1 . 10 . 2496 . 1 1 9 GLY N N 14.687 6.399 3.209 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25765_2n6i 1 . 10 . 2497 . 1 1 9 GLY O O 12.099 4.989 4.784 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25765_2n6i 1 . 10 . 2498 . 1 1 10 VAL C C 10.675 4.796 1.521 . . . 1.0 . . . . . . . . . . . . A . 18 VAL C . . . . . . . . . c25765_2n6i 1 . 10 . 2499 . 1 1 10 VAL CA C 10.454 5.753 2.685 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CA . . . . . . . . . c25765_2n6i 1 . 10 . 2500 . 1 1 10 VAL CB C 9.443 6.826 2.280 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CB . . . . . . . . . c25765_2n6i 1 . 10 . 2501 . 1 1 10 VAL CG1 C 8.115 6.162 1.912 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG1 . . . . . . . . . c25765_2n6i 1 . 10 . 2502 . 1 1 10 VAL CG2 C 9.224 7.788 3.449 . . . 1.0 . . . . . . . . . . . . A . 18 VAL CG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2503 . 1 1 10 VAL H H 12.072 7.117 2.502 . . . 1.0 . . . . . . . . . . . . A . 18 VAL H . . . . . . . . . c25765_2n6i 1 . 10 . 2504 . 1 1 10 VAL HA H 10.065 5.201 3.530 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HA . . . . . . . . . c25765_2n6i 1 . 10 . 2505 . 1 1 10 VAL HB H 9.820 7.372 1.427 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HB . . . . . . . . . c25765_2n6i 1 . 10 . 2506 . 1 1 10 VAL HG11 H 7.340 6.912 1.854 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG11 . . . . . . . . . c25765_2n6i 1 . 10 . 2507 . 1 1 10 VAL HG12 H 7.855 5.433 2.666 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG12 . . . . . . . . . c25765_2n6i 1 . 10 . 2508 . 1 1 10 VAL HG13 H 8.212 5.670 0.955 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG13 . . . . . . . . . c25765_2n6i 1 . 10 . 2509 . 1 1 10 VAL HG21 H 10.172 8.205 3.755 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG21 . . . . . . . . . c25765_2n6i 1 . 10 . 2510 . 1 1 10 VAL HG22 H 8.781 7.256 4.277 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG22 . . . . . . . . . c25765_2n6i 1 . 10 . 2511 . 1 1 10 VAL HG23 H 8.564 8.586 3.141 . . . 1.0 . . . . . . . . . . . . A . 18 VAL HG23 . . . . . . . . . c25765_2n6i 1 . 10 . 2512 . 1 1 10 VAL N N 11.730 6.374 3.043 . . . 1.0 . . . . . . . . . . . . A . 18 VAL N . . . . . . . . . c25765_2n6i 1 . 10 . 2513 . 1 1 10 VAL O O 10.642 5.195 0.357 . . . 1.0 . . . . . . . . . . . . A . 18 VAL O . . . . . . . . . c25765_2n6i 1 . 10 . 2514 . 1 1 11 THR C C 10.391 1.236 1.152 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25765_2n6i 1 . 10 . 2515 . 1 1 11 THR CA C 11.177 2.504 0.841 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25765_2n6i 1 . 10 . 2516 . 1 1 11 THR CB C 12.669 2.183 0.814 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25765_2n6i 1 . 10 . 2517 . 1 1 11 THR CG2 C 13.466 3.444 0.484 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2518 . 1 1 11 THR H H 10.947 3.282 2.798 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25765_2n6i 1 . 10 . 2519 . 1 1 11 THR HA H 10.881 2.869 -0.134 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25765_2n6i 1 . 10 . 2520 . 1 1 11 THR HB H 12.861 1.436 0.064 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25765_2n6i 1 . 10 . 2521 . 1 1 11 THR HG1 H 13.492 2.410 2.560 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25765_2n6i 1 . 10 . 2522 . 1 1 11 THR HG21 H 14.522 3.236 0.575 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25765_2n6i 1 . 10 . 2523 . 1 1 11 THR HG22 H 13.195 4.233 1.171 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25765_2n6i 1 . 10 . 2524 . 1 1 11 THR HG23 H 13.246 3.753 -0.525 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25765_2n6i 1 . 10 . 2525 . 1 1 11 THR N N 10.922 3.530 1.851 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25765_2n6i 1 . 10 . 2526 . 1 1 11 THR O O 9.875 1.071 2.257 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25765_2n6i 1 . 10 . 2527 . 1 1 11 THR OG1 O 13.058 1.695 2.088 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25765_2n6i 1 . 10 . 2528 . 1 1 12 ILE C C 10.202 -2.037 -0.485 . . . 1.0 . . . . . . . . . . . . A . 20 ILE C . . . . . . . . . c25765_2n6i 1 . 10 . 2529 . 1 1 12 ILE CA C 9.583 -0.917 0.349 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CA . . . . . . . . . c25765_2n6i 1 . 10 . 2530 . 1 1 12 ILE CB C 8.115 -0.753 -0.044 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CB . . . . . . . . . c25765_2n6i 1 . 10 . 2531 . 1 1 12 ILE CD1 C 8.655 1.020 -1.807 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CD1 . . . . . . . . . c25765_2n6i 1 . 10 . 2532 . 1 1 12 ILE CG1 C 7.974 -0.329 -1.523 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG1 . . . . . . . . . c25765_2n6i 1 . 10 . 2533 . 1 1 12 ILE CG2 C 7.438 0.276 0.866 . . . 1.0 . . . . . . . . . . . . A . 20 ILE CG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2534 . 1 1 12 ILE H H 10.742 0.517 -0.682 . . . 1.0 . . . . . . . . . . . . A . 20 ILE H . . . . . . . . . c25765_2n6i 1 . 10 . 2535 . 1 1 12 ILE HA H 9.630 -1.202 1.391 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HA . . . . . . . . . c25765_2n6i 1 . 10 . 2536 . 1 1 12 ILE HB H 7.633 -1.697 0.090 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HB . . . . . . . . . c25765_2n6i 1 . 10 . 2537 . 1 1 12 ILE HD11 H 9.673 0.850 -2.119 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD11 . . . . . . . . . c25765_2n6i 1 . 10 . 2538 . 1 1 12 ILE HD12 H 8.643 1.640 -0.926 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD12 . . . . . . . . . c25765_2n6i 1 . 10 . 2539 . 1 1 12 ILE HD13 H 8.123 1.524 -2.601 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HD13 . . . . . . . . . c25765_2n6i 1 . 10 . 2540 . 1 1 12 ILE HG12 H 8.424 -1.086 -2.149 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG12 . . . . . . . . . c25765_2n6i 1 . 10 . 2541 . 1 1 12 ILE HG13 H 6.925 -0.252 -1.767 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG13 . . . . . . . . . c25765_2n6i 1 . 10 . 2542 . 1 1 12 ILE HG21 H 7.635 0.027 1.899 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG21 . . . . . . . . . c25765_2n6i 1 . 10 . 2543 . 1 1 12 ILE HG22 H 6.373 0.266 0.691 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG22 . . . . . . . . . c25765_2n6i 1 . 10 . 2544 . 1 1 12 ILE HG23 H 7.829 1.260 0.652 . . . 1.0 . . . . . . . . . . . . A . 20 ILE HG23 . . . . . . . . . c25765_2n6i 1 . 10 . 2545 . 1 1 12 ILE N N 10.305 0.338 0.170 . . . 1.0 . . . . . . . . . . . . A . 20 ILE N . . . . . . . . . c25765_2n6i 1 . 10 . 2546 . 1 1 12 ILE O O 10.805 -1.780 -1.526 . . . 1.0 . . . . . . . . . . . . A . 20 ILE O . . . . . . . . . c25765_2n6i 1 . 10 . 2547 . 1 1 13 ARG C C 10.252 -5.757 -0.065 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . c25765_2n6i 1 . 10 . 2548 . 1 1 13 ARG CA C 10.600 -4.431 -0.735 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . c25765_2n6i 1 . 10 . 2549 . 1 1 13 ARG CB C 12.102 -4.364 -0.878 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . c25765_2n6i 1 . 10 . 2550 . 1 1 13 ARG CD C 14.292 -4.284 0.385 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . c25765_2n6i 1 . 10 . 2551 . 1 1 13 ARG CG C 12.761 -4.344 0.498 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . c25765_2n6i 1 . 10 . 2552 . 1 1 13 ARG CZ C 14.727 -5.754 -1.584 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . c25765_2n6i 1 . 10 . 2553 . 1 1 13 ARG H H 9.555 -3.425 0.816 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . c25765_2n6i 1 . 10 . 2554 . 1 1 13 ARG HA H 10.172 -4.438 -1.727 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . c25765_2n6i 1 . 10 . 2555 . 1 1 13 ARG HB2 H 12.396 -5.235 -1.409 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2556 . 1 1 13 ARG HB3 H 12.383 -3.485 -1.434 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2557 . 1 1 13 ARG HD2 H 14.567 -3.411 -0.183 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . c25765_2n6i 1 . 10 . 2558 . 1 1 13 ARG HD3 H 14.706 -4.199 1.379 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . c25765_2n6i 1 . 10 . 2559 . 1 1 13 ARG HE H 15.310 -6.133 0.286 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . c25765_2n6i 1 . 10 . 2560 . 1 1 13 ARG HG2 H 12.409 -3.494 1.056 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2561 . 1 1 13 ARG HG3 H 12.491 -5.234 1.037 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . c25765_2n6i 1 . 10 . 2562 . 1 1 13 ARG HH11 H 13.995 -3.959 -2.093 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . c25765_2n6i 1 . 10 . 2563 . 1 1 13 ARG HH12 H 14.168 -5.091 -3.392 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . c25765_2n6i 1 . 10 . 2564 . 1 1 13 ARG HH21 H 15.536 -7.577 -1.413 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . c25765_2n6i 1 . 10 . 2565 . 1 1 13 ARG HH22 H 15.039 -7.125 -3.009 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . c25765_2n6i 1 . 10 . 2566 . 1 1 13 ARG N N 10.047 -3.281 -0.019 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . c25765_2n6i 1 . 10 . 2567 . 1 1 13 ARG NE N 14.859 -5.475 -0.278 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . c25765_2n6i 1 . 10 . 2568 . 1 1 13 ARG NH1 N 14.260 -4.866 -2.422 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . c25765_2n6i 1 . 10 . 2569 . 1 1 13 ARG NH2 N 15.132 -6.909 -2.037 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . c25765_2n6i 1 . 10 . 2570 . 1 1 13 ARG O O 9.452 -5.811 0.869 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . c25765_2n6i 1 . 10 . 2571 . 1 1 14 GLU C C 11.747 -8.506 0.991 . . . 1.0 . . . . . . . . . . . . A . 22 GLU C . . . . . . . . . c25765_2n6i 1 . 10 . 2572 . 1 1 14 GLU CA C 10.661 -8.174 -0.028 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CA . . . . . . . . . c25765_2n6i 1 . 10 . 2573 . 1 1 14 GLU CB C 10.699 -9.210 -1.163 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CB . . . . . . . . . c25765_2n6i 1 . 10 . 2574 . 1 1 14 GLU CD C 8.216 -8.955 -1.684 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CD . . . . . . . . . c25765_2n6i 1 . 10 . 2575 . 1 1 14 GLU CG C 9.642 -8.902 -2.242 . . . 1.0 . . . . . . . . . . . . A . 22 GLU CG . . . . . . . . . c25765_2n6i 1 . 10 . 2576 . 1 1 14 GLU H H 11.542 -6.716 -1.296 . . . 1.0 . . . . . . . . . . . . A . 22 GLU H . . . . . . . . . c25765_2n6i 1 . 10 . 2577 . 1 1 14 GLU HA H 9.711 -8.211 0.463 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HA . . . . . . . . . c25765_2n6i 1 . 10 . 2578 . 1 1 14 GLU HB2 H 11.679 -9.198 -1.617 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2579 . 1 1 14 GLU HB3 H 10.512 -10.195 -0.755 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2580 . 1 1 14 GLU HG2 H 9.826 -7.916 -2.640 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2581 . 1 1 14 GLU HG3 H 9.736 -9.625 -3.040 . . . 1.0 . . . . . . . . . . . . A . 22 GLU HG3 . . . . . . . . . c25765_2n6i 1 . 10 . 2582 . 1 1 14 GLU N N 10.882 -6.835 -0.566 . . . 1.0 . . . . . . . . . . . . A . 22 GLU N . . . . . . . . . c25765_2n6i 1 . 10 . 2583 . 1 1 14 GLU O O 11.684 -9.531 1.670 . . . 1.0 . . . . . . . . . . . . A . 22 GLU O . . . . . . . . . c25765_2n6i 1 . 10 . 2584 . 1 1 14 GLU OE1 O 7.898 -8.165 -0.814 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE1 . . . . . . . . . c25765_2n6i 1 . 10 . 2585 . 1 1 14 GLU OE2 O 7.460 -9.795 -2.144 . . . 1.0 . . . . . . . . . . . . A . 22 GLU OE2 . . . . . . . . . c25765_2n6i 1 . 10 . 2586 . 1 1 15 LYS C C 14.181 -9.240 2.278 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . c25765_2n6i 1 . 10 . 2587 . 1 1 15 LYS CA C 13.862 -7.772 2.007 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . c25765_2n6i 1 . 10 . 2588 . 1 1 15 LYS CB C 13.585 -7.058 3.320 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . c25765_2n6i 1 . 10 . 2589 . 1 1 15 LYS CD C 12.033 -6.867 5.290 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . c25765_2n6i 1 . 10 . 2590 . 1 1 15 LYS CE C 13.191 -6.989 6.282 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . c25765_2n6i 1 . 10 . 2591 . 1 1 15 LYS CG C 12.335 -7.631 3.996 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . c25765_2n6i 1 . 10 . 2592 . 1 1 15 LYS H H 12.714 -6.831 0.509 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . c25765_2n6i 1 . 10 . 2593 . 1 1 15 LYS HA H 14.728 -7.308 1.570 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . c25765_2n6i 1 . 10 . 2594 . 1 1 15 LYS HB2 H 14.441 -7.201 3.951 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . c25765_2n6i 1 . 10 . 2595 . 1 1 15 LYS HB3 H 13.445 -6.003 3.135 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . c25765_2n6i 1 . 10 . 2596 . 1 1 15 LYS HD2 H 11.874 -5.825 5.057 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . c25765_2n6i 1 . 10 . 2597 . 1 1 15 LYS HD3 H 11.137 -7.270 5.739 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . c25765_2n6i 1 . 10 . 2598 . 1 1 15 LYS HE2 H 13.378 -8.028 6.503 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . c25765_2n6i 1 . 10 . 2599 . 1 1 15 LYS HE3 H 14.076 -6.539 5.874 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . c25765_2n6i 1 . 10 . 2600 . 1 1 15 LYS HG2 H 11.491 -7.536 3.332 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . c25765_2n6i 1 . 10 . 2601 . 1 1 15 LYS HG3 H 12.497 -8.673 4.226 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . c25765_2n6i 1 . 10 . 2602 . 1 1 15 LYS HZ1 H 11.827 -6.431 7.733 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . c25765_2n6i 1 . 10 . 2603 . 1 1 15 LYS HZ2 H 13.000 -5.254 7.381 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . c25765_2n6i 1 . 10 . 2604 . 1 1 15 LYS HZ3 H 13.413 -6.619 8.305 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ3 . . . . . . . . . c25765_2n6i 1 . 10 . 2605 . 1 1 15 LYS N N 12.739 -7.618 1.083 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . c25765_2n6i 1 . 10 . 2606 . 1 1 15 LYS NZ N 12.829 -6.270 7.521 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . c25765_2n6i 1 . 10 . 2607 . 1 1 15 LYS O O 14.575 -9.601 3.388 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . c25765_2n6i 1 . 10 . 2608 . 1 1 16 NH2 HN1 H 13.717 -9.830 0.440 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN1 . . . . . . . . . c25765_2n6i 1 . 10 . 2609 . 1 1 16 NH2 HN2 H 14.232 -11.062 1.488 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 HN2 . . . . . . . . . c25765_2n6i 1 . 10 . 2610 . 1 1 16 NH2 N N 14.031 -10.117 1.322 . . . 1.0 . . . . . . . . . . . . A . 24 NH2 N . . . . . . . . . c25765_2n6i 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 c25765_2n6i _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 2n6i.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25765_2n6i 1 1 2n6i.mr . . XPLOR/CNS 2 distance 'hydrogen bond' simple 6 c25765_2n6i 1 1 2n6i.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 8 c25765_2n6i 1 1 2n6i.mr . . XPLOR/CNS 4 distance NOE ambi 132 c25765_2n6i 1 1 2n6i.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25765_2n6i 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c25765_2n6i _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 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 . . . . c25765_2n6i 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 GLN HA H . . . 1 1 2 2 GLN HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 10 GLN HA . . A . 10 GLN HB2 . . . 10 . HA . . . . . 10 . HB# . . c25765_2n6i 1 1 2 OR . 1 1 2 2 GLN HA H . . . 1 1 2 2 GLN HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 10 GLN HA . . A . 10 GLN HB3 . . . 10 . HA . . . . . 10 . HB# . . c25765_2n6i 1 2 1 OR . 1 1 2 2 GLN HA H . . . 1 1 2 2 GLN HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HA . . A . 10 GLN HG2 . . . 10 . HA . . . . . 10 . HG2 . . c25765_2n6i 1 2 2 OR . 1 1 2 2 GLN HA H . . . 1 1 2 2 GLN HG3 H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HA . . A . 10 GLN HG3 . . . 10 . HA . . . . . 10 . HG1 . . c25765_2n6i 1 3 1 OR . 1 1 2 2 GLN HA H . . . 1 1 2 2 GLN HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HA . . A . 10 GLN HG2 . . . 10 . HA . . . . . 10 . HG2 . . c25765_2n6i 1 3 2 OR . 1 1 2 2 GLN HA H . . . 1 1 2 2 GLN HG3 H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HA . . A . 10 GLN HG3 . . . 10 . HA . . . . . 10 . HG1 . . c25765_2n6i 1 4 1 . . 1 1 2 2 GLN HA H . . . 1 1 2 2 GLN H H . . . . . 2.2 1.4 3.0 . . . . . A . 10 GLN HA . . A . 10 GLN H . . . 10 . HA . . . . . 10 . HN . . c25765_2n6i 1 5 1 OR . 1 1 2 2 GLN HG2 H . . . 1 1 2 2 GLN HB2 H . . . . . 1.9 1.2 2.6 . . . . . A . 10 GLN HG2 . . A . 10 GLN HB2 . . . 10 . HG2 . . . . . 10 . HB# . . c25765_2n6i 1 5 2 OR . 1 1 2 2 GLN HG3 H . . . 1 1 2 2 GLN HB2 H . . . . . 1.9 1.2 2.6 . . . . . A . 10 GLN HG3 . . A . 10 GLN HB2 . . . 10 . HG1 . . . . . 10 . HB# . . c25765_2n6i 1 5 3 OR . 1 1 2 2 GLN HB3 H . . . 1 1 2 2 GLN HG2 H . . . . . 1.9 1.2 2.6 . . . . . A . 10 GLN HB3 . . A . 10 GLN HG2 . . . 10 . HB# . . . . . 10 . HG2 . . c25765_2n6i 1 5 4 OR . 1 1 2 2 GLN HB3 H . . . 1 1 2 2 GLN HG3 H . . . . . 1.9 1.2 2.6 . . . . . A . 10 GLN HB3 . . A . 10 GLN HG3 . . . 10 . HB# . . . . . 10 . HG1 . . c25765_2n6i 1 6 1 OR . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 10 GLN H . . A . 10 GLN HB2 . . . 10 . HN . . . . . 10 . HB# . . c25765_2n6i 1 6 2 OR . 1 1 2 2 GLN HB3 H . . . 1 1 2 2 GLN H H . . . . . 2.9 1.9 3.9 . . . . . A . 10 GLN HB3 . . A . 10 GLN H . . . 10 . HB# . . . . . 10 . HN . . c25765_2n6i 1 7 1 OR . 1 1 2 2 GLN HG2 H . . . 1 1 2 2 GLN HE22 H . . . . . 2.4 1.6 3.2 . . . . . A . 10 GLN HG2 . . A . 10 GLN HE22 . . . 10 . HG2 . . . . . 10 . HE22 . . c25765_2n6i 1 7 2 OR . 1 1 2 2 GLN HG3 H . . . 1 1 2 2 GLN HE22 H . . . . . 2.4 1.6 3.2 . . . . . A . 10 GLN HG3 . . A . 10 GLN HE22 . . . 10 . HG1 . . . . . 10 . HE22 . . c25765_2n6i 1 7 3 OR . 1 1 2 2 GLN HG2 H . . . 1 1 2 2 GLN HE21 H . . . . . 2.4 1.6 3.2 . . . . . A . 10 GLN HG2 . . A . 10 GLN HE21 . . . 10 . HG2 . . . . . 10 . HE21 . . c25765_2n6i 1 7 4 OR . 1 1 2 2 GLN HG3 H . . . 1 1 2 2 GLN HE21 H . . . . . 2.4 1.6 3.2 . . . . . A . 10 GLN HG3 . . A . 10 GLN HE21 . . . 10 . HG1 . . . . . 10 . HE21 . . c25765_2n6i 1 8 1 OR . 1 1 2 2 GLN HG2 H . . . 1 1 2 2 GLN H H . . . . . 2.5 1.6 3.4 . . . . . A . 10 GLN HG2 . . A . 10 GLN H . . . 10 . HG2 . . . . . 10 . HN . . c25765_2n6i 1 8 2 OR . 1 1 2 2 GLN HG3 H . . . 1 1 2 2 GLN H H . . . . . 2.5 1.6 3.4 . . . . . A . 10 GLN HG3 . . A . 10 GLN H . . . 10 . HG1 . . . . . 10 . HN . . c25765_2n6i 1 9 1 OR . 1 1 2 2 GLN HG2 H . . . 1 1 2 2 GLN H H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HG2 . . A . 10 GLN H . . . 10 . HG2 . . . . . 10 . HN . . c25765_2n6i 1 9 2 OR . 1 1 2 2 GLN HG3 H . . . 1 1 2 2 GLN H H . . . . . 2.6 1.7 3.5 . . . . . A . 10 GLN HG3 . . A . 10 GLN H . . . 10 . HG1 . . . . . 10 . HN . . c25765_2n6i 1 10 1 . . 1 1 2 2 GLN H H . . . 1 1 3 3 LYS HA H . . . . . 2.4 1.5 3.3 . . . . . A . 10 GLN H . . A . 11 LYS HA . . . 10 . HN . . . . . 11 . HA . . c25765_2n6i 1 11 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS H H . . . . . 2.7 1.7 3.7 . . . . . A . 11 LYS HA . . A . 11 LYS H . . . 11 . HA . . . . . 11 . HN . . c25765_2n6i 1 12 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 . HN . . . . . 11 . HB# . . c25765_2n6i 1 12 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 2.6 1.7 3.5 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 . HN . . . . . 11 . HB# . . c25765_2n6i 1 13 1 OR . 1 1 3 3 LYS HD2 H . . . 1 1 3 3 LYS HE2 H . . . . . 2.9 1.9 3.9 . . . . . A . 11 LYS HD2 . . A . 11 LYS HE2 . . . 11 . HD# . . . . . 11 . HE# . . c25765_2n6i 1 13 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HE2 H . . . . . 2.9 1.9 3.9 . . . . . A . 11 LYS HD3 . . A . 11 LYS HE2 . . . 11 . HD# . . . . . 11 . HE# . . c25765_2n6i 1 13 3 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HD2 H . . . . . 2.9 1.9 3.9 . . . . . A . 11 LYS HE3 . . A . 11 LYS HD2 . . . 11 . HE# . . . . . 11 . HD# . . c25765_2n6i 1 13 4 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HE3 H . . . . . 2.9 1.9 3.9 . . . . . A . 11 LYS HD3 . . A . 11 LYS HE3 . . . 11 . HD# . . . . . 11 . HE# . . c25765_2n6i 1 14 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD2 H . . . . . 2.4 1.6 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HD2 . . . 11 . HN . . . . . 11 . HD# . . c25765_2n6i 1 14 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HD3 H . . . . . 2.4 1.6 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HD3 . . . 11 . HN . . . . . 11 . HD# . . c25765_2n6i 1 15 1 OR . 1 1 3 3 LYS QZ H . . . 1 1 3 3 LYS HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 11 LYS QZ . . A . 11 LYS HD2 . . . 11 . HZ# . . . . . 11 . HD# . . c25765_2n6i 1 15 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS QZ H . . . . . 2.5 1.6 3.4 . . . . . A . 11 LYS HD3 . . A . 11 LYS QZ . . . 11 . HD# . . . . . 11 . HZ# . . c25765_2n6i 1 16 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HE2 H . . . . . 2.9 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HE2 . . . 11 . HN . . . . . 11 . HE# . . c25765_2n6i 1 16 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HE3 H . . . . . 2.9 1.8 5.0 . . . . . A . 11 LYS H . . A . 11 LYS HE3 . . . 11 . HN . . . . . 11 . HE# . . c25765_2n6i 1 17 1 OR . 1 1 3 3 LYS QZ H . . . 1 1 3 3 LYS HE2 H . . . . . 2.3 1.5 3.1 . . . . . A . 11 LYS QZ . . A . 11 LYS HE2 . . . 11 . HZ# . . . . . 11 . HE# . . c25765_2n6i 1 17 2 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS QZ H . . . . . 2.3 1.5 3.1 . . . . . A . 11 LYS HE3 . . A . 11 LYS QZ . . . 11 . HE# . . . . . 11 . HZ# . . c25765_2n6i 1 18 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 . HN . . . . . 11 . HG# . . c25765_2n6i 1 18 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HG3 H . . . . . 3.1 2.0 4.2 . . . . . A . 11 LYS H . . A . 11 LYS HG3 . . . 11 . HN . . . . . 11 . HG# . . c25765_2n6i 1 19 1 OR . 1 1 3 3 LYS QZ H . . . 1 1 3 3 LYS HG2 H . . . . . 3.3 2.1 4.5 . . . . . A . 11 LYS QZ . . A . 11 LYS HG2 . . . 11 . HZ# . . . . . 11 . HG# . . c25765_2n6i 1 19 2 OR . 1 1 3 3 LYS QZ H . . . 1 1 3 3 LYS HG3 H . . . . . 3.3 2.1 4.5 . . . . . A . 11 LYS QZ . . A . 11 LYS HG3 . . . 11 . HZ# . . . . . 11 . HG# . . c25765_2n6i 1 20 1 . . 1 1 3 3 LYS H H . . . 1 1 4 4 PHE HA H . . . . . 2.1 1.4 2.8 . . . . . A . 11 LYS H . . A . 12 PHE HA . . . 11 . HN . . . . . 12 . HA . . c25765_2n6i 1 21 1 . . 1 1 4 4 PHE HA H . . . 1 1 4 4 PHE QD H . . . . . 2.5 1.6 3.4 . . . . . A . 12 PHE HA . . A . 12 PHE QD . . . 12 . HA . . . . . 12 . HD# . . c25765_2n6i 1 22 1 . . 1 1 4 4 PHE HA H . . . 1 1 4 4 PHE H H . . . . . 3.5 2.3 4.7 . . . . . A . 12 PHE HA . . A . 12 PHE H . . . 12 . HA . . . . . 12 . HN . . c25765_2n6i 1 23 1 OR . 1 1 4 4 PHE QD H . . . 1 1 4 4 PHE HB2 H . . . . . 2.4 1.6 3.2 . . . . . A . 12 PHE QD . . A . 12 PHE HB2 . . . 12 . HD# . . . . . 12 . HB2 . . c25765_2n6i 1 23 2 OR . 1 1 4 4 PHE QD H . . . 1 1 4 4 PHE HB3 H . . . . . 2.4 1.6 3.2 . . . . . A . 12 PHE QD . . A . 12 PHE HB3 . . . 12 . HD# . . . . . 12 . HB1 . . c25765_2n6i 1 24 1 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB2 H . . . . . 2.5 1.6 3.4 . . . . . A . 12 PHE H . . A . 12 PHE HB2 . . . 12 . HN . . . . . 12 . HB2 . . c25765_2n6i 1 24 2 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB3 H . . . . . 2.5 1.6 3.4 . . . . . A . 12 PHE H . . A . 12 PHE HB3 . . . 12 . HN . . . . . 12 . HB1 . . c25765_2n6i 1 25 1 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 12 PHE H . . A . 12 PHE HB2 . . . 12 . HN . . . . . 12 . HB2 . . c25765_2n6i 1 25 2 OR . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE HB3 H . . . . . 2.9 1.9 3.9 . . . . . A . 12 PHE H . . A . 12 PHE HB3 . . . 12 . HN . . . . . 12 . HB1 . . c25765_2n6i 1 26 1 . . 1 1 4 4 PHE QD H . . . 1 1 4 4 PHE QE H . . . . . 1.8 1.2 2.4 . . . . . A . 12 PHE QD . . A . 12 PHE QE . . . 12 . HD# . . . . . 12 . HE# . . c25765_2n6i 1 27 1 . . 1 1 4 4 PHE H H . . . 1 1 4 4 PHE QE H . . . . . 2.8 1.8 3.8 . . . . . A . 12 PHE H . . A . 12 PHE QE . . . 12 . HN . . . . . 12 . HE# . . c25765_2n6i 1 28 1 . . 1 1 4 4 PHE H H . . . 1 1 5 5 ILE HA H . . . . . 2.1 1.4 2.8 . . . . . A . 12 PHE H . . A . 13 ILE HA . . . 12 . HN . . . . . 13 . HA . . c25765_2n6i 1 29 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HB H . . . . . 3.2 2.1 4.3 . . . . . A . 13 ILE HA . . A . 13 ILE HB . . . 13 . HA . . . . . 13 . HB . . c25765_2n6i 1 30 1 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG12 H . . . . . 2.5 1.6 3.4 . . . . . A . 13 ILE HA . . A . 13 ILE HG12 . . . 13 . HA . . . . . 13 . HG12 . . c25765_2n6i 1 30 2 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . 2.5 1.6 3.4 . . . . . A . 13 ILE HA . . A . 13 ILE HG13 . . . 13 . HA . . . . . 13 . HG11 . . c25765_2n6i 1 31 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE H H . . . . . 2.5 1.6 3.4 . . . . . A . 13 ILE HA . . A . 13 ILE H . . . 13 . HA . . . . . 13 . HN . . c25765_2n6i 1 32 1 OR . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE MG H . . . . . 3.4 2.2 4.6 . . . . . A . 13 ILE HB . . A . 13 ILE MG . . . 13 . HB . . . . . 13 . HG2# . . c25765_2n6i 1 32 2 OR . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE MD H . . . . . 3.4 2.2 4.6 . . . . . A . 13 ILE HB . . A . 13 ILE MD . . . 13 . HB . . . . . 13 . HD1# . . c25765_2n6i 1 33 1 OR . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE HG12 H . . . . . 2.2 1.4 3.0 . . . . . A . 13 ILE HB . . A . 13 ILE HG12 . . . 13 . HB . . . . . 13 . HG12 . . c25765_2n6i 1 33 2 OR . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE HG13 H . . . . . 2.2 1.4 3.0 . . . . . A . 13 ILE HB . . A . 13 ILE HG13 . . . 13 . HB . . . . . 13 . HG11 . . c25765_2n6i 1 34 1 . . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE H H . . . . . 2.3 1.5 5.0 . . . . . A . 13 ILE HB . . A . 13 ILE H . . . 13 . HB . . . . . 13 . HN . . c25765_2n6i 1 35 1 OR . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE MG H . . . . . 1.9 1.2 2.6 . . . . . A . 13 ILE HG12 . . A . 13 ILE MG . . . 13 . HG12 . . . . . 13 . HG2# . . c25765_2n6i 1 35 2 OR . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE MG H . . . . . 1.9 1.2 2.6 . . . . . A . 13 ILE HG13 . . A . 13 ILE MG . . . 13 . HG11 . . . . . 13 . HG2# . . c25765_2n6i 1 35 3 OR . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE MD H . . . . . 1.9 1.2 2.6 . . . . . A . 13 ILE HG12 . . A . 13 ILE MD . . . 13 . HG12 . . . . . 13 . HD1# . . c25765_2n6i 1 35 4 OR . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE MD H . . . . . 1.9 1.2 2.6 . . . . . A . 13 ILE HG13 . . A . 13 ILE MD . . . 13 . HG11 . . . . . 13 . HD1# . . c25765_2n6i 1 36 1 OR . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE MG H . . . . . 2.4 1.6 3.2 . . . . . A . 13 ILE HG12 . . A . 13 ILE MG . . . 13 . HG12 . . . . . 13 . HG2# . . c25765_2n6i 1 36 2 OR . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE MG H . . . . . 2.4 1.6 3.2 . . . . . A . 13 ILE HG13 . . A . 13 ILE MG . . . 13 . HG11 . . . . . 13 . HG2# . . c25765_2n6i 1 36 3 OR . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE MD H . . . . . 2.4 1.6 3.2 . . . . . A . 13 ILE HG12 . . A . 13 ILE MD . . . 13 . HG12 . . . . . 13 . HD1# . . c25765_2n6i 1 36 4 OR . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE MD H . . . . . 2.4 1.6 3.2 . . . . . A . 13 ILE HG13 . . A . 13 ILE MD . . . 13 . HG11 . . . . . 13 . HD1# . . c25765_2n6i 1 37 1 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MG H . . . . . 3.3 2.1 4.5 . . . . . A . 13 ILE H . . A . 13 ILE MG . . . 13 . HN . . . . . 13 . HG2# . . c25765_2n6i 1 37 2 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MD H . . . . . 3.3 2.1 4.5 . . . . . A . 13 ILE H . . A . 13 ILE MD . . . 13 . HN . . . . . 13 . HD1# . . c25765_2n6i 1 38 1 OR . 1 1 5 5 ILE HG12 H . . . 1 1 5 5 ILE H H . . . . . 3.0 2.0 4.0 . . . . . A . 13 ILE HG12 . . A . 13 ILE H . . . 13 . HG12 . . . . . 13 . HN . . c25765_2n6i 1 38 2 OR . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE H H . . . . . 3.0 2.0 4.0 . . . . . A . 13 ILE HG13 . . A . 13 ILE H . . . 13 . HG11 . . . . . 13 . HN . . c25765_2n6i 1 39 1 . . 1 1 5 5 ILE H H . . . 1 1 6 6 ARG HA H . . . . . 2.2 1.4 3.0 . . . . . A . 13 ILE H . . A . 14 ARG HA . . . 13 . HN . . . . . 14 . HA . . c25765_2n6i 1 40 1 . . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HE H . . . . . 3.3 1.8 5.0 . . . . . A . 14 ARG HA . . A . 14 ARG HE . . . 14 . HA . . . . . 14 . HE . . c25765_2n6i 1 41 1 . . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG H H . . . . . 2.1 1.4 2.8 . . . . . A . 14 ARG HA . . A . 14 ARG H . . . 14 . HA . . . . . 14 . HN . . c25765_2n6i 1 42 1 OR . 1 1 6 6 ARG HB2 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG HB2 . . A . 14 ARG HD2 . . . 14 . HB# . . . . . 14 . HD# . . c25765_2n6i 1 42 2 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG HB3 . . A . 14 ARG HD2 . . . 14 . HB# . . . . . 14 . HD# . . c25765_2n6i 1 42 3 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HB2 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG HD3 . . A . 14 ARG HB2 . . . 14 . HD# . . . . . 14 . HB# . . c25765_2n6i 1 42 4 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG HD3 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG HB3 . . A . 14 ARG HD3 . . . 14 . HB# . . . . . 14 . HD# . . c25765_2n6i 1 43 1 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HB2 H . . . . . 2.5 1.6 5.0 . . . . . A . 14 ARG HE . . A . 14 ARG HB2 . . . 14 . HE . . . . . 14 . HB# . . c25765_2n6i 1 43 2 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HB3 H . . . . . 2.5 1.6 5.0 . . . . . A . 14 ARG HE . . A . 14 ARG HB3 . . . 14 . HE . . . . . 14 . HB# . . c25765_2n6i 1 44 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HB2 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . HB# . . c25765_2n6i 1 44 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HB3 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . HB# . . c25765_2n6i 1 45 1 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HD2 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG HE . . A . 14 ARG HD2 . . . 14 . HE . . . . . 14 . HD# . . c25765_2n6i 1 45 2 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HD3 H . . . . . 2.4 1.6 3.2 . . . . . A . 14 ARG HE . . A . 14 ARG HD3 . . . 14 . HE . . . . . 14 . HD# . . c25765_2n6i 1 46 1 OR . 1 1 6 6 ARG HG2 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.7 1.7 3.7 . . . . . A . 14 ARG HG2 . . A . 14 ARG HD2 . . . 14 . HG2 . . . . . 14 . HD# . . c25765_2n6i 1 46 2 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.7 1.7 3.7 . . . . . A . 14 ARG HG3 . . A . 14 ARG HD2 . . . 14 . HG1 . . . . . 14 . HD# . . c25765_2n6i 1 46 3 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HG2 H . . . . . 2.7 1.7 3.7 . . . . . A . 14 ARG HD3 . . A . 14 ARG HG2 . . . 14 . HD# . . . . . 14 . HG2 . . c25765_2n6i 1 46 4 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HG3 H . . . . . 2.7 1.7 3.7 . . . . . A . 14 ARG HD3 . . A . 14 ARG HG3 . . . 14 . HD# . . . . . 14 . HG1 . . c25765_2n6i 1 47 1 OR . 1 1 6 6 ARG HG2 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.3 1.5 3.1 . . . . . A . 14 ARG HG2 . . A . 14 ARG HD2 . . . 14 . HG2 . . . . . 14 . HD# . . c25765_2n6i 1 47 2 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.3 1.5 3.1 . . . . . A . 14 ARG HG3 . . A . 14 ARG HD2 . . . 14 . HG1 . . . . . 14 . HD# . . c25765_2n6i 1 47 3 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HG2 H . . . . . 2.3 1.5 3.1 . . . . . A . 14 ARG HD3 . . A . 14 ARG HG2 . . . 14 . HD# . . . . . 14 . HG2 . . c25765_2n6i 1 47 4 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HG3 H . . . . . 2.3 1.5 3.1 . . . . . A . 14 ARG HD3 . . A . 14 ARG HG3 . . . 14 . HD# . . . . . 14 . HG1 . . c25765_2n6i 1 48 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HD2 H . . . . . 3.2 2.1 4.3 . . . . . A . 14 ARG H . . A . 14 ARG HD2 . . . 14 . HN . . . . . 14 . HD# . . c25765_2n6i 1 48 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HD3 H . . . . . 3.2 2.1 4.3 . . . . . A . 14 ARG H . . A . 14 ARG HD3 . . . 14 . HN . . . . . 14 . HD# . . c25765_2n6i 1 49 1 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 14 ARG HE . . A . 14 ARG HG2 . . . 14 . HE . . . . . 14 . HG2 . . c25765_2n6i 1 49 2 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 14 ARG HE . . A . 14 ARG HG3 . . . 14 . HE . . . . . 14 . HG1 . . c25765_2n6i 1 50 1 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HG2 H . . . . . 3.0 2.0 4.0 . . . . . A . 14 ARG HE . . A . 14 ARG HG2 . . . 14 . HE . . . . . 14 . HG2 . . c25765_2n6i 1 50 2 OR . 1 1 6 6 ARG HE H . . . 1 1 6 6 ARG HG3 H . . . . . 3.0 2.0 4.0 . . . . . A . 14 ARG HE . . A . 14 ARG HG3 . . . 14 . HE . . . . . 14 . HG1 . . c25765_2n6i 1 51 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 14 ARG H . . A . 14 ARG HG2 . . . 14 . HN . . . . . 14 . HG2 . . c25765_2n6i 1 51 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG3 H . . . . . 3.1 2.0 4.2 . . . . . A . 14 ARG H . . A . 14 ARG HG3 . . . 14 . HN . . . . . 14 . HG1 . . c25765_2n6i 1 52 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 14 ARG H . . A . 14 ARG HG2 . . . 14 . HN . . . . . 14 . HG2 . . c25765_2n6i 1 52 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG3 H . . . . . 3.5 2.3 4.7 . . . . . A . 14 ARG H . . A . 14 ARG HG3 . . . 14 . HN . . . . . 14 . HG1 . . c25765_2n6i 1 53 1 . . 1 1 6 6 ARG H H . . . 1 1 7 7 VAL HA H . . . . . 1.9 1.2 2.6 . . . . . A . 14 ARG H . . A . 15 VAL HA . . . 14 . HN . . . . . 15 . HA . . c25765_2n6i 1 54 1 . . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL HB H . . . . . 2.6 1.7 3.5 . . . . . A . 15 VAL HA . . A . 15 VAL HB . . . 15 . HA . . . . . 15 . HB . . c25765_2n6i 1 55 1 OR . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL MG1 H . . . . . 2.4 1.5 3.3 . . . . . A . 15 VAL HA . . A . 15 VAL MG1 . . . 15 . HA . . . . . 15 . HG* . . c25765_2n6i 1 55 2 OR . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL MG2 H . . . . . 2.4 1.5 3.3 . . . . . A . 15 VAL HA . . A . 15 VAL MG2 . . . 15 . HA . . . . . 15 . HG* . . c25765_2n6i 1 56 1 . . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL H H . . . . . 3.3 2.1 4.5 . . . . . A . 15 VAL HA . . A . 15 VAL H . . . 15 . HA . . . . . 15 . HN . . c25765_2n6i 1 57 1 OR . 1 1 7 7 VAL HB H . . . 1 1 7 7 VAL MG1 H . . . . . 2.3 1.5 3.1 . . . . . A . 15 VAL HB . . A . 15 VAL MG1 . . . 15 . HB . . . . . 15 . HG* . . c25765_2n6i 1 57 2 OR . 1 1 7 7 VAL HB H . . . 1 1 7 7 VAL MG2 H . . . . . 2.3 1.5 3.1 . . . . . A . 15 VAL HB . . A . 15 VAL MG2 . . . 15 . HB . . . . . 15 . HG* . . c25765_2n6i 1 58 1 . . 1 1 7 7 VAL HB H . . . 1 1 7 7 VAL H H . . . . . 2.2 1.4 5.0 . . . . . A . 15 VAL HB . . A . 15 VAL H . . . 15 . HB . . . . . 15 . HN . . c25765_2n6i 1 59 1 OR . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG1 H . . . . . 2.3 1.5 3.1 . . . . . A . 15 VAL H . . A . 15 VAL MG1 . . . 15 . HN . . . . . 15 . HG* . . c25765_2n6i 1 59 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 7 7 VAL H H . . . . . 2.3 1.5 3.1 . . . . . A . 15 VAL MG2 . . A . 15 VAL H . . . 15 . HG* . . . . . 15 . HN . . c25765_2n6i 1 60 1 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA3 H . . . . . 2.5 1.6 3.4 . . . . . A . 17 GLY H . . A . 17 GLY HA3 . . . 17 . HN . . . . . 17 . HA1 . . c25765_2n6i 1 60 2 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA2 H . . . . . 2.5 1.6 3.4 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . . . 17 . HN . . . . . 17 . HA2 . . c25765_2n6i 1 61 1 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA3 H . . . . . 3.0 1.9 4.1 . . . . . A . 17 GLY H . . A . 17 GLY HA3 . . . 17 . HN . . . . . 17 . HA1 . . c25765_2n6i 1 61 2 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA2 H . . . . . 3.0 1.9 4.1 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . . . 17 . HN . . . . . 17 . HA2 . . c25765_2n6i 1 62 1 OR . 1 1 10 10 VAL H H . . . 1 1 9 9 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 VAL H . . A . 17 GLY HA3 . . . 18 . HN . . . . . 17 . HA# . . c25765_2n6i 1 62 2 OR . 1 1 9 9 GLY HA2 H . . . 1 1 10 10 VAL H H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLY HA2 . . A . 18 VAL H . . . 17 . HA# . . . . . 18 . HN . . c25765_2n6i 1 63 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL HB H . . . . . 3.4 2.2 4.6 . . . . . A . 18 VAL HA . . A . 18 VAL HB . . . 18 . HA . . . . . 18 . HB . . c25765_2n6i 1 64 1 OR . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG1 H . . . . . 2.3 1.5 3.1 . . . . . A . 18 VAL HA . . A . 18 VAL MG1 . . . 18 . HA . . . . . 18 . HG* . . c25765_2n6i 1 64 2 OR . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG2 H . . . . . 2.3 1.5 3.1 . . . . . A . 18 VAL HA . . A . 18 VAL MG2 . . . 18 . HA . . . . . 18 . HG* . . c25765_2n6i 1 65 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HA H . . . . . 2.6 1.7 3.5 . . . . . A . 18 VAL H . . A . 18 VAL HA . . . 18 . HN . . . . . 18 . HA . . c25765_2n6i 1 66 1 OR . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG1 H . . . . . 2.5 1.6 3.4 . . . . . A . 18 VAL HB . . A . 18 VAL MG1 . . . 18 . HB . . . . . 18 . HG* . . c25765_2n6i 1 66 2 OR . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG2 H . . . . . 2.5 1.6 3.4 . . . . . A . 18 VAL HB . . A . 18 VAL MG2 . . . 18 . HB . . . . . 18 . HG* . . c25765_2n6i 1 67 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HB H . . . . . 2.4 1.6 3.2 . . . . . A . 18 VAL H . . A . 18 VAL HB . . . 18 . HN . . . . . 18 . HB . . c25765_2n6i 1 68 1 OR . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG1 H . . . . . 2.6 1.7 3.5 . . . . . A . 18 VAL H . . A . 18 VAL MG1 . . . 18 . HN . . . . . 18 . HG* . . c25765_2n6i 1 68 2 OR . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 18 VAL H . . A . 18 VAL MG2 . . . 18 . HN . . . . . 18 . HG* . . c25765_2n6i 1 69 1 . . 1 1 10 10 VAL HA H . . . 1 1 11 11 THR H H . . . . . 2.0 1.3 2.7 . . . . . A . 18 VAL HA . . A . 19 THR H . . . 18 . HA . . . . . 19 . HN . . c25765_2n6i 1 70 1 . . 1 1 11 11 THR H H . . . 1 1 11 11 THR HA H . . . . . 2.6 1.7 3.5 . . . . . A . 19 THR H . . A . 19 THR HA . . . 19 . HN . . . . . 19 . HA . . c25765_2n6i 1 71 1 . . 1 1 11 11 THR HB H . . . 1 1 11 11 THR MG H . . . . . 2.4 1.6 3.2 . . . . . A . 19 THR HB . . A . 19 THR MG . . . 19 . HB . . . . . 19 . HG2# . . c25765_2n6i 1 72 1 . . 1 1 11 11 THR H H . . . 1 1 11 11 THR HB H . . . . . 2.9 1.9 3.9 . . . . . A . 19 THR H . . A . 19 THR HB . . . 19 . HN . . . . . 19 . HB . . c25765_2n6i 1 73 1 . . 1 1 11 11 THR H H . . . 1 1 11 11 THR MG H . . . . . 3.4 2.2 4.6 . . . . . A . 19 THR H . . A . 19 THR MG . . . 19 . HN . . . . . 19 . HG2# . . c25765_2n6i 1 74 1 . . 1 1 11 11 THR HA H . . . 1 1 12 12 ILE H H . . . . . 2.3 1.5 3.1 . . . . . A . 19 THR HA . . A . 20 ILE H . . . 19 . HA . . . . . 20 . HN . . c25765_2n6i 1 75 1 . . 1 1 12 12 ILE HA H . . . 1 1 12 12 ILE HB H . . . . . 2.9 1.9 3.9 . . . . . A . 20 ILE HA . . A . 20 ILE HB . . . 20 . HA . . . . . 20 . HB . . c25765_2n6i 1 76 1 OR . 1 1 12 12 ILE HA H . . . 1 1 12 12 ILE MG H . . . . . 2.4 1.5 3.3 . . . . . A . 20 ILE HA . . A . 20 ILE MG . . . 20 . HA . . . . . 20 . HG2# . . c25765_2n6i 1 76 2 OR . 1 1 12 12 ILE HA H . . . 1 1 12 12 ILE MD H . . . . . 2.4 1.5 3.3 . . . . . A . 20 ILE HA . . A . 20 ILE MD . . . 20 . HA . . . . . 20 . HD1# . . c25765_2n6i 1 77 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HA H . . . . . 3.0 1.9 4.1 . . . . . A . 20 ILE H . . A . 20 ILE HA . . . 20 . HN . . . . . 20 . HA . . c25765_2n6i 1 78 1 OR . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE MG H . . . . . 3.1 2.0 4.2 . . . . . A . 20 ILE HB . . A . 20 ILE MG . . . 20 . HB . . . . . 20 . HG2# . . c25765_2n6i 1 78 2 OR . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE MD H . . . . . 3.1 2.0 4.2 . . . . . A . 20 ILE HB . . A . 20 ILE MD . . . 20 . HB . . . . . 20 . HD1# . . c25765_2n6i 1 79 1 OR . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE MG H . . . . . 2.5 1.6 3.4 . . . . . A . 20 ILE HB . . A . 20 ILE MG . . . 20 . HB . . . . . 20 . HG2# . . c25765_2n6i 1 79 2 OR . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE MD H . . . . . 2.5 1.6 3.4 . . . . . A . 20 ILE HB . . A . 20 ILE MD . . . 20 . HB . . . . . 20 . HD1# . . c25765_2n6i 1 80 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HB H . . . . . 2.5 1.6 3.4 . . . . . A . 20 ILE H . . A . 20 ILE HB . . . 20 . HN . . . . . 20 . HB . . c25765_2n6i 1 81 1 OR . 1 1 12 12 ILE MG H . . . 1 1 12 12 ILE HG13 H . . . . . 2.3 1.5 3.1 . . . . . A . 20 ILE MG . . A . 20 ILE HG13 . . . 20 . HG2# . . . . . 20 . HG11 . . c25765_2n6i 1 81 2 OR . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE HG12 H . . . . . 2.3 1.5 3.1 . . . . . A . 20 ILE MD . . A . 20 ILE HG12 . . . 20 . HD1# . . . . . 20 . HG12 . . c25765_2n6i 1 81 3 OR . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE HG13 H . . . . . 2.3 1.5 3.1 . . . . . A . 20 ILE MD . . A . 20 ILE HG13 . . . 20 . HD1# . . . . . 20 . HG11 . . c25765_2n6i 1 81 4 OR . 1 1 12 12 ILE MG H . . . 1 1 12 12 ILE HG12 H . . . . . 2.3 1.5 3.1 . . . . . A . 20 ILE MG . . A . 20 ILE HG12 . . . 20 . HG2# . . . . . 20 . HG12 . . c25765_2n6i 1 82 1 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE MG H . . . . . 3.0 1.9 4.1 . . . . . A . 20 ILE H . . A . 20 ILE MG . . . 20 . HN . . . . . 20 . HG2# . . c25765_2n6i 1 82 2 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE MD H . . . . . 3.0 1.9 4.1 . . . . . A . 20 ILE H . . A . 20 ILE MD . . . 20 . HN . . . . . 20 . HD1# . . c25765_2n6i 1 83 1 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG12 H . . . . . 3.2 2.1 4.3 . . . . . A . 20 ILE H . . A . 20 ILE HG12 . . . 20 . HN . . . . . 20 . HG12 . . c25765_2n6i 1 83 2 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG13 H . . . . . 3.2 2.1 4.3 . . . . . A . 20 ILE H . . A . 20 ILE HG13 . . . 20 . HN . . . . . 20 . HG11 . . c25765_2n6i 1 84 1 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG12 H . . . . . 3.3 2.2 4.4 . . . . . A . 20 ILE H . . A . 20 ILE HG12 . . . 20 . HN . . . . . 20 . HG12 . . c25765_2n6i 1 84 2 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG13 H . . . . . 3.3 2.2 4.4 . . . . . A . 20 ILE H . . A . 20 ILE HG13 . . . 20 . HN . . . . . 20 . HG11 . . c25765_2n6i 1 85 1 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE MG H . . . . . 2.8 1.8 3.8 . . . . . A . 20 ILE H . . A . 20 ILE MG . . . 20 . HN . . . . . 20 . HG2# . . c25765_2n6i 1 85 2 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE MD H . . . . . 2.8 1.8 3.8 . . . . . A . 20 ILE H . . A . 20 ILE MD . . . 20 . HN . . . . . 20 . HD1# . . c25765_2n6i 1 86 1 . . 1 1 12 12 ILE HA H . . . 1 1 13 13 ARG H H . . . . . 2.0 1.3 3.2 . . . . . A . 20 ILE HA . . A . 21 ARG H . . . 20 . HA . . . . . 21 . HN . . c25765_2n6i 1 87 1 . . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HE H . . . . . 5.0 3.2 6.8 . . . . . A . 21 ARG HA . . A . 21 ARG HE . . . 21 . HA . . . . . 21 . HE . . c25765_2n6i 1 88 1 . . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HA H . . . . . 3.0 1.9 4.1 . . . . . A . 21 ARG H . . A . 21 ARG HA . . . 21 . HN . . . . . 21 . HA . . c25765_2n6i 1 89 1 OR . 1 1 13 13 ARG HB2 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.3 1.5 3.1 . . . . . A . 21 ARG HB2 . . A . 21 ARG HD2 . . . 21 . HB2 . . . . . 21 . HD# . . c25765_2n6i 1 89 2 OR . 1 1 13 13 ARG HB3 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.3 1.5 3.1 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD2 . . . 21 . HB1 . . . . . 21 . HD# . . c25765_2n6i 1 89 3 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HB2 H . . . . . 2.3 1.5 3.1 . . . . . A . 21 ARG HD3 . . A . 21 ARG HB2 . . . 21 . HD# . . . . . 21 . HB2 . . c25765_2n6i 1 89 4 OR . 1 1 13 13 ARG HB3 H . . . 1 1 13 13 ARG HD3 H . . . . . 2.3 1.5 3.1 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD3 . . . 21 . HB1 . . . . . 21 . HD# . . c25765_2n6i 1 90 1 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 21 ARG HE . . A . 21 ARG HB2 . . . 21 . HE . . . . . 21 . HB2 . . c25765_2n6i 1 90 2 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 21 ARG HE . . A . 21 ARG HB3 . . . 21 . HE . . . . . 21 . HB1 . . c25765_2n6i 1 91 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG H . . A . 21 ARG HB2 . . . 21 . HN . . . . . 21 . HB2 . . c25765_2n6i 1 91 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB3 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG H . . A . 21 ARG HB3 . . . 21 . HN . . . . . 21 . HB1 . . c25765_2n6i 1 92 1 OR . 1 1 13 13 ARG HB2 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB2 . . A . 21 ARG HD2 . . . 21 . HB2 . . . . . 21 . HD# . . c25765_2n6i 1 92 2 OR . 1 1 13 13 ARG HB3 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD2 . . . 21 . HB1 . . . . . 21 . HD# . . c25765_2n6i 1 92 3 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HD3 . . A . 21 ARG HB2 . . . 21 . HD# . . . . . 21 . HB2 . . c25765_2n6i 1 92 4 OR . 1 1 13 13 ARG HB3 H . . . 1 1 13 13 ARG HD3 H . . . . . 2.6 1.7 3.5 . . . . . A . 21 ARG HB3 . . A . 21 ARG HD3 . . . 21 . HB1 . . . . . 21 . HD# . . c25765_2n6i 1 93 1 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HB2 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG HE . . A . 21 ARG HB2 . . . 21 . HE . . . . . 21 . HB2 . . c25765_2n6i 1 93 2 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HB3 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG HE . . A . 21 ARG HB3 . . . 21 . HE . . . . . 21 . HB1 . . c25765_2n6i 1 94 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB2 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG H . . A . 21 ARG HB2 . . . 21 . HN . . . . . 21 . HB2 . . c25765_2n6i 1 94 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB3 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG H . . A . 21 ARG HB3 . . . 21 . HN . . . . . 21 . HB1 . . c25765_2n6i 1 95 1 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HD2 H . . . . . 2.3 1.5 3.1 . . . . . A . 21 ARG HE . . A . 21 ARG HD2 . . . 21 . HE . . . . . 21 . HD# . . c25765_2n6i 1 95 2 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HD3 H . . . . . 2.3 1.5 3.1 . . . . . A . 21 ARG HE . . A . 21 ARG HD3 . . . 21 . HE . . . . . 21 . HD# . . c25765_2n6i 1 96 1 OR . 1 1 13 13 ARG HG2 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.4 1.6 3.2 . . . . . A . 21 ARG HG2 . . A . 21 ARG HD2 . . . 21 . HG2 . . . . . 21 . HD# . . c25765_2n6i 1 96 2 OR . 1 1 13 13 ARG HG3 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.4 1.6 3.2 . . . . . A . 21 ARG HG3 . . A . 21 ARG HD2 . . . 21 . HG1 . . . . . 21 . HD# . . c25765_2n6i 1 96 3 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HG2 H . . . . . 2.4 1.6 3.2 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG2 . . . 21 . HD# . . . . . 21 . HG2 . . c25765_2n6i 1 96 4 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HG3 H . . . . . 2.4 1.6 3.2 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG3 . . . 21 . HD# . . . . . 21 . HG1 . . c25765_2n6i 1 97 1 OR . 1 1 13 13 ARG HG2 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG HG2 . . A . 21 ARG HD2 . . . 21 . HG2 . . . . . 21 . HD# . . c25765_2n6i 1 97 2 OR . 1 1 13 13 ARG HG3 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG HG3 . . A . 21 ARG HD2 . . . 21 . HG1 . . . . . 21 . HD# . . c25765_2n6i 1 97 3 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HG2 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG2 . . . 21 . HD# . . . . . 21 . HG2 . . c25765_2n6i 1 97 4 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HG3 H . . . . . 2.5 1.6 3.4 . . . . . A . 21 ARG HD3 . . A . 21 ARG HG3 . . . 21 . HD# . . . . . 21 . HG1 . . c25765_2n6i 1 98 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HD2 H . . . . . 3.8 2.5 5.1 . . . . . A . 21 ARG H . . A . 21 ARG HD2 . . . 21 . HN . . . . . 21 . HD# . . c25765_2n6i 1 98 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HD3 H . . . . . 3.8 2.5 5.1 . . . . . A . 21 ARG H . . A . 21 ARG HD3 . . . 21 . HN . . . . . 21 . HD# . . c25765_2n6i 1 99 1 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HG2 H . . . . . 3.2 2.1 4.3 . . . . . A . 21 ARG HE . . A . 21 ARG HG2 . . . 21 . HE . . . . . 21 . HG2 . . c25765_2n6i 1 99 2 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HG3 H . . . . . 3.2 2.1 4.3 . . . . . A . 21 ARG HE . . A . 21 ARG HG3 . . . 21 . HE . . . . . 21 . HG1 . . c25765_2n6i 1 100 1 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HG2 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG HE . . A . 21 ARG HG2 . . . 21 . HE . . . . . 21 . HG2 . . c25765_2n6i 1 100 2 OR . 1 1 13 13 ARG HE H . . . 1 1 13 13 ARG HG3 H . . . . . 2.7 1.8 3.6 . . . . . A . 21 ARG HE . . A . 21 ARG HG3 . . . 21 . HE . . . . . 21 . HG1 . . c25765_2n6i 1 101 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG2 H . . . . . 3.2 2.1 4.3 . . . . . A . 21 ARG H . . A . 21 ARG HG2 . . . 21 . HN . . . . . 21 . HG2 . . c25765_2n6i 1 101 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG3 H . . . . . 3.2 2.1 4.3 . . . . . A . 21 ARG H . . A . 21 ARG HG3 . . . 21 . HN . . . . . 21 . HG1 . . c25765_2n6i 1 102 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG2 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG H . . A . 21 ARG HG2 . . . 21 . HN . . . . . 21 . HG2 . . c25765_2n6i 1 102 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG3 H . . . . . 2.9 1.9 3.9 . . . . . A . 21 ARG H . . A . 21 ARG HG3 . . . 21 . HN . . . . . 21 . HG1 . . c25765_2n6i 1 103 1 . . 1 1 13 13 ARG HA H . . . 1 1 14 14 GLU H H . . . . . 2.1 1.4 2.8 . . . . . A . 21 ARG HA . . A . 22 GLU H . . . 21 . HA . . . . . 22 . HN . . c25765_2n6i 1 104 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB2 H . . . . . 3.9 2.5 5.3 . . . . . A . 22 GLU HA . . A . 22 GLU HB2 . . . 22 . HA . . . . . 22 . HB# . . c25765_2n6i 1 104 2 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB3 H . . . . . 3.9 2.5 5.3 . . . . . A . 22 GLU HA . . A . 22 GLU HB3 . . . 22 . HA . . . . . 22 . HB# . . c25765_2n6i 1 105 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 22 GLU HA . . A . 22 GLU HG2 . . . 22 . HA . . . . . 22 . HG2 . . c25765_2n6i 1 105 2 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HG3 H . . . . . 3.1 2.0 4.2 . . . . . A . 22 GLU HA . . A . 22 GLU HG3 . . . 22 . HA . . . . . 22 . HG1 . . c25765_2n6i 1 106 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HG2 H . . . . . 3.1 2.0 4.2 . . . . . A . 22 GLU HA . . A . 22 GLU HG2 . . . 22 . HA . . . . . 22 . HG2 . . c25765_2n6i 1 106 2 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HG3 H . . . . . 3.1 2.0 4.2 . . . . . A . 22 GLU HA . . A . 22 GLU HG3 . . . 22 . HA . . . . . 22 . HG1 . . c25765_2n6i 1 107 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HA H . . . . . 2.0 1.3 2.7 . . . . . A . 22 GLU H . . A . 22 GLU HA . . . 22 . HN . . . . . 22 . HA . . c25765_2n6i 1 108 1 OR . 1 1 14 14 GLU HG3 H . . . 1 1 14 14 GLU HB2 H . . . . . 2.2 1.4 3.0 . . . . . A . 22 GLU HG3 . . A . 22 GLU HB2 . . . 22 . HG1 . . . . . 22 . HB# . . c25765_2n6i 1 108 2 OR . 1 1 14 14 GLU HG2 H . . . 1 1 14 14 GLU HB2 H . . . . . 2.2 1.4 3.0 . . . . . A . 22 GLU HG2 . . A . 22 GLU HB2 . . . 22 . HG2 . . . . . 22 . HB# . . c25765_2n6i 1 108 3 OR . 1 1 14 14 GLU HB3 H . . . 1 1 14 14 GLU HG2 H . . . . . 2.2 1.4 3.0 . . . . . A . 22 GLU HB3 . . A . 22 GLU HG2 . . . 22 . HB# . . . . . 22 . HG2 . . c25765_2n6i 1 108 4 OR . 1 1 14 14 GLU HB3 H . . . 1 1 14 14 GLU HG3 H . . . . . 2.2 1.4 3.0 . . . . . A . 22 GLU HB3 . . A . 22 GLU HG3 . . . 22 . HB# . . . . . 22 . HG1 . . c25765_2n6i 1 109 1 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB2 H . . . . . 2.6 1.7 3.5 . . . . . A . 22 GLU H . . A . 22 GLU HB2 . . . 22 . HN . . . . . 22 . HB# . . c25765_2n6i 1 109 2 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB3 H . . . . . 2.6 1.7 3.5 . . . . . A . 22 GLU H . . A . 22 GLU HB3 . . . 22 . HN . . . . . 22 . HB# . . c25765_2n6i 1 110 1 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG2 H . . . . . 2.7 1.8 5.0 . . . . . A . 22 GLU H . . A . 22 GLU HG2 . . . 22 . HN . . . . . 22 . HG2 . . c25765_2n6i 1 110 2 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG3 H . . . . . 2.7 1.8 5.0 . . . . . A . 22 GLU H . . A . 22 GLU HG3 . . . 22 . HN . . . . . 22 . HG1 . . c25765_2n6i 1 111 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS H H . . . . . 2.4 1.6 3.2 . . . . . A . 23 LYS HA . . A . 23 LYS H . . . 23 . HA . . . . . 23 . HN . . c25765_2n6i 1 112 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS QZ H . . . . . 3.6 1.8 5.0 . . . . . A . 23 LYS HA . . A . 23 LYS QZ . . . 23 . HA . . . . . 23 . HZ# . . c25765_2n6i 1 113 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB2 H . . . . . 2.4 1.6 3.2 . . . . . A . 23 LYS H . . A . 23 LYS HB2 . . . 23 . HN . . . . . 23 . HB# . . c25765_2n6i 1 113 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB3 H . . . . . 2.4 1.6 3.2 . . . . . A . 23 LYS H . . A . 23 LYS HB3 . . . 23 . HN . . . . . 23 . HB# . . c25765_2n6i 1 114 1 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 23 LYS QZ . . A . 23 LYS HB2 . . . 23 . HZ# . . . . . 23 . HB# . . c25765_2n6i 1 114 2 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 23 LYS QZ . . A . 23 LYS HB3 . . . 23 . HZ# . . . . . 23 . HB# . . c25765_2n6i 1 115 1 OR . 1 1 15 15 LYS HD3 H . . . 1 1 15 15 LYS HE2 H . . . . . 3.3 2.1 4.5 . . . . . A . 23 LYS HD3 . . A . 23 LYS HE2 . . . 23 . HD# . . . . . 23 . HE# . . c25765_2n6i 1 115 2 OR . 1 1 15 15 LYS HD2 H . . . 1 1 15 15 LYS HE2 H . . . . . 3.3 2.1 4.5 . . . . . A . 23 LYS HD2 . . A . 23 LYS HE2 . . . 23 . HD# . . . . . 23 . HE# . . c25765_2n6i 1 115 3 OR . 1 1 15 15 LYS HE3 H . . . 1 1 15 15 LYS HD2 H . . . . . 3.3 2.1 4.5 . . . . . A . 23 LYS HE3 . . A . 23 LYS HD2 . . . 23 . HE# . . . . . 23 . HD# . . c25765_2n6i 1 115 4 OR . 1 1 15 15 LYS HD3 H . . . 1 1 15 15 LYS HE3 H . . . . . 3.3 2.1 4.5 . . . . . A . 23 LYS HD3 . . A . 23 LYS HE3 . . . 23 . HD# . . . . . 23 . HE# . . c25765_2n6i 1 116 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HD2 H . . . . . 2.6 1.7 5.0 . . . . . A . 23 LYS H . . A . 23 LYS HD2 . . . 23 . HN . . . . . 23 . HD# . . c25765_2n6i 1 116 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HD3 H . . . . . 2.6 1.7 5.0 . . . . . A . 23 LYS H . . A . 23 LYS HD3 . . . 23 . HN . . . . . 23 . HD# . . c25765_2n6i 1 117 1 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HD2 H . . . . . 2.7 1.7 3.7 . . . . . A . 23 LYS QZ . . A . 23 LYS HD2 . . . 23 . HZ# . . . . . 23 . HD# . . c25765_2n6i 1 117 2 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HD3 H . . . . . 2.7 1.7 3.7 . . . . . A . 23 LYS QZ . . A . 23 LYS HD3 . . . 23 . HZ# . . . . . 23 . HD# . . c25765_2n6i 1 118 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HE2 H . . . . . 3.3 1.8 5.0 . . . . . A . 23 LYS H . . A . 23 LYS HE2 . . . 23 . HN . . . . . 23 . HE# . . c25765_2n6i 1 118 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HE3 H . . . . . 3.3 1.8 5.0 . . . . . A . 23 LYS H . . A . 23 LYS HE3 . . . 23 . HN . . . . . 23 . HE# . . c25765_2n6i 1 119 1 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HE2 H . . . . . 2.4 1.6 3.2 . . . . . A . 23 LYS QZ . . A . 23 LYS HE2 . . . 23 . HZ# . . . . . 23 . HE# . . c25765_2n6i 1 119 2 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HE3 H . . . . . 2.4 1.6 3.2 . . . . . A . 23 LYS QZ . . A . 23 LYS HE3 . . . 23 . HZ# . . . . . 23 . HE# . . c25765_2n6i 1 120 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG2 H . . . . . 2.6 1.7 3.5 . . . . . A . 23 LYS H . . A . 23 LYS HG2 . . . 23 . HN . . . . . 23 . HG# . . c25765_2n6i 1 120 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG3 H . . . . . 2.6 1.7 3.5 . . . . . A . 23 LYS H . . A . 23 LYS HG3 . . . 23 . HN . . . . . 23 . HG# . . c25765_2n6i 1 121 1 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HG2 H . . . . . 3.4 2.2 4.6 . . . . . A . 23 LYS QZ . . A . 23 LYS HG2 . . . 23 . HZ# . . . . . 23 . HG# . . c25765_2n6i 1 121 2 OR . 1 1 15 15 LYS QZ H . . . 1 1 15 15 LYS HG3 H . . . . . 3.4 2.2 4.6 . . . . . A . 23 LYS QZ . . A . 23 LYS HG3 . . . 23 . HZ# . . . . . 23 . HG# . . c25765_2n6i 1 122 1 . . 1 1 2 2 GLN H H . . . 1 1 3 3 LYS QZ H . . . . . 3.0 2.0 4.5 . . . . . A . 10 GLN H . . A . 11 LYS QZ . . . 10 . HN . . . . . 11 . HZ# . . c25765_2n6i 1 123 1 . . 1 1 4 4 PHE QE H . . . 1 1 12 12 ILE HA H . . . . . 2.8 1.8 3.8 . . . . . A . 12 PHE QE . . A . 20 ILE HA . . . 12 . HE# . . . . . 20 . HA . . c25765_2n6i 1 124 1 OR . 1 1 2 2 GLN HE22 H . . . 1 1 14 14 GLU H H . . . . . 2.7 1.7 3.7 . . . . . A . 10 GLN HE22 . . A . 22 GLU H . . . 10 . HE22 . . . . . 22 . HN . . c25765_2n6i 1 124 2 OR . 1 1 2 2 GLN HE21 H . . . 1 1 14 14 GLU H H . . . . . 2.7 1.7 3.7 . . . . . A . 10 GLN HE21 . . A . 22 GLU H . . . 10 . HE21 . . . . . 22 . HN . . c25765_2n6i 1 125 1 OR . 1 1 2 2 GLN HG2 H . . . 1 1 4 4 PHE QE H . . . . . 3.0 2.0 4.0 . . . . . A . 10 GLN HG2 . . A . 12 PHE QE . . . 10 . HG2 . . . . . 12 . HE# . . c25765_2n6i 1 125 2 OR . 1 1 2 2 GLN HG3 H . . . 1 1 4 4 PHE QE H . . . . . 3.0 2.0 4.0 . . . . . A . 10 GLN HG3 . . A . 12 PHE QE . . . 10 . HG1 . . . . . 12 . HE# . . c25765_2n6i 1 126 1 . . 1 1 4 4 PHE QD H . . . 1 1 11 11 THR MG H . . . . . 3.5 2.5 4.5 . . . . . A . 12 PHE QD . . A . 19 THR MG . . . 12 . HD# . . . . . 19 . HG2# . . c25765_2n6i 1 127 1 OR . 1 1 4 4 PHE HZ H . . . 1 1 15 15 LYS HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 12 PHE HZ . . A . 23 LYS HB2 . . . 12 . HZ . . . . . 23 . HB# . . c25765_2n6i 1 127 2 OR . 1 1 15 15 LYS HB3 H . . . 1 1 4 4 PHE HZ H . . . . . 3.0 1.8 5.0 . . . . . A . 23 LYS HB3 . . A . 12 PHE HZ . . . 23 . HB# . . . . . 12 . HZ . . c25765_2n6i 1 128 1 . . 1 1 12 12 ILE H H . . . 1 1 4 4 PHE HZ H . . . . . 2.8 1.8 3.8 . . . . . A . 20 ILE H . . A . 12 PHE HZ . . . 20 . HN . . . . . 12 . HZ . . c25765_2n6i 1 129 1 . . 1 1 12 12 ILE HA H . . . 1 1 4 4 PHE HZ H . . . . . 2.6 1.6 3.6 . . . . . A . 20 ILE HA . . A . 12 PHE HZ . . . 20 . HA . . . . . 12 . HZ . . c25765_2n6i 1 130 1 . . 1 1 2 2 GLN H H . . . 1 1 13 13 ARG HE H . . . . . 2.7 1.7 4.2 . . . . . A . 10 GLN H . . A . 21 ARG HE . . . 10 . HN . . . . . 21 . HE . . c25765_2n6i 1 131 1 . . 1 1 2 2 GLN H H . . . 1 1 15 15 LYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 10 GLN H . . A . 23 LYS HA . . . 10 . HN . . . . . 23 . HA . . c25765_2n6i 1 132 1 . . 1 1 3 3 LYS HA H . . . 1 1 14 14 GLU H H . . . . . 1.8 1.8 5.0 . . . . . A . 11 LYS HA . . A . 22 GLU H . . . 11 . HA . . . . . 22 . HN . . c25765_2n6i 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-116-2stranddiC-height-renum-sq, edited 02/25/15 intra-residue or sequential ROE's ; 1 1 3 35 c25765_2n6i 1 2 "long-distance ROE's" 127 1 127 21 c25765_2n6i 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 c25765_2n6i _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25765_2n6i 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 6 6 ARG H H . . . 1 1 10 10 VAL O O . . . . . 1.9 1.5 2.5 . . . . . A . 14 ARG H . . A . 18 VAL O . . . 14 . HN . . . . . 18 . O . . c25765_2n6i 2 2 1 . . 1 1 10 10 VAL O O . . . 1 1 6 6 ARG N N . . . . . 2.9 2.4 3.6 . . . . . A . 18 VAL O . . A . 14 ARG N . . . 18 . O . . . . . 14 . N . . c25765_2n6i 2 3 1 . . 1 1 12 12 ILE H H . . . 1 1 6 6 ARG O O . . . . . 1.9 1.5 2.5 . . . . . A . 20 ILE H . . A . 14 ARG O . . . 20 . HN . . . . . 14 . O . . c25765_2n6i 2 4 1 . . 1 1 6 6 ARG O O . . . 1 1 12 12 ILE N N . . . . . 2.9 2.4 3.6 . . . . . A . 14 ARG O . . A . 20 ILE N . . . 14 . O . . . . . 20 . N . . c25765_2n6i 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-116-2stranddiC peptide, last edit 8/11/14 VMKung ! Between top strand & middle strand: ; 1 1 3 39 c25765_2n6i 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .16.OAB' (nmrStar names) not linked" c25765_2n6i 2 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .16.OAB' (nmrStar names) not linked" c25765_2n6i 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c25765_2n6i _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 3 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 . . . . c25765_2n6i 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 7 7 VAL N N . . 1 1 7 7 VAL CA C . . 1 1 7 7 VAL C C . . 1 1 6 6 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 . . c25765_2n6i 1 2 . . 1 1 6 6 ARG C C . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . -180.5 -110.5 . . . A . 14 ARG C . . A . 13 ILE N . . A . 13 ILE CA . . A . 13 ILE C . . . 14 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . c25765_2n6i 1 3 . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . . 1 1 4 4 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 . . c25765_2n6i 1 4 . . 1 1 10 10 VAL C C . . 1 1 11 11 THR N N . . 1 1 11 11 THR CA C . . 1 1 11 11 THR C C . -180.5 -110.5 . . . A . 18 VAL C . . A . 19 THR N . . A . 19 THR CA . . A . 19 THR C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . c25765_2n6i 1 5 . . 1 1 11 11 THR N N . . 1 1 11 11 THR CA C . . 1 1 11 11 THR C C . . 1 1 12 12 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 . . c25765_2n6i 1 6 . . 1 1 12 12 ILE C C . . 1 1 13 13 ARG N N . . 1 1 13 13 ARG CA C . . 1 1 13 13 ARG C C . -180.5 -110.5 . . . A . 20 ILE C . . A . 21 ARG N . . A . 21 ARG CA . . A . 21 ARG C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . c25765_2n6i 1 7 . . 1 1 13 13 ARG N N . . 1 1 13 13 ARG CA C . . 1 1 13 13 ARG C C . . 1 1 14 14 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 . . c25765_2n6i 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-116-2stranddiC peptide, edited 12/30/2014 VMKung Middle Strand: ; 1 1 3 16 c25765_2n6i 1 2 'Top Strand:' 15 1 15 13 c25765_2n6i 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 3 1 1 "Not handling restraint 1, resonance(s) ' .16.CAJ' (nmrStar names) not linked" c25765_2n6i 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 c25765_2n6i _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER DE NOVO PROTEIN 20-AUG-15 2N6I *TITLE NMR STRUCTURE FOR A 2-STRANDED PARALLEL BETA-SHEET *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED 2-STRANDED PARALLEL BETA-SHEET; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR V.M.KUNG, G.CORNILESCU, S.H.GELLMAN *REVDAT 1 28-OCT-15 2N6I 0' save_