data_c25190_2mtx ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25190_2mtx _Entry.Title ; Protection against experimental P. falciparum malaria is associated with short AMA-1 peptide analogue alpha-helical structures ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-01 _Entry.Accession_date 2014-09-01 _Entry.Last_release_date 2014-10-07 _Entry.Original_release_date 2014-10-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Marcia Cubillos . . . c25190_2mtx 2 'Luz Mary' Salazar . . . c25190_2mtx 3 Libardo Torres . . . c25190_2mtx 4 'Manuel Elkin' Patarroyo . . . c25190_2mtx 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' . c25190_2mtx stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Peptide of domain II of AMA-1 from P. falciparum' . c25190_2mtx stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25190_2mtx stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 134 c25190_2mtx 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 . . 2014-10-07 2014-09-01 original author . c25190_2mtx stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MTX 'BMRB Entry Tracking System' c25190_2mtx BMRB 25189 'malaria peptide 1815' c25190_2mtx stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25190_2mtx _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12628294 _Citation.Full_citation . _Citation.Title 'Protection against experimental P. falciparum malaria is associated with short AMA-1 peptide analogue alpha-helical structures' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemie _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 2014 _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 Marcia Cubillos . . . c25190_2mtx 1 2 'Luz Mary' Salazar . . . c25190_2mtx 1 3 Libardo Torres . . . c25190_2mtx 1 4 'Manuel Elkin' Patarroyo . . . c25190_2mtx 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25190_2mtx _Assembly.ID 1 _Assembly.Name 'malaria short AMA-1 peptide analogue' _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 $entity A . yes native no no . . . c25190_2mtx 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25190_2mtx _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MIKSAFLPTGAFKADRYKSH X ; _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 21 _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 2271.702 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6510 . AMA1_DII . . . . . 95.24 140 100.00 100.00 2.81e-04 . . . . c25190_2mtx 1 2 no PDB 1YXE . 'Structure And Inter-Domain Interactions Of Domain Ii From The Blood Stage Malarial Protein, Apical Membrane Antigen 1' . . . . . 95.24 140 100.00 100.00 2.81e-04 . . . . c25190_2mtx 1 3 no PDB 1Z40 . 'Ama1 From Plasmodium Falciparum' . . . . . 95.24 336 100.00 100.00 3.49e-04 . . . . c25190_2mtx 1 4 no PDB 2J5L . 'Structure Of A Plasmodium Falciparum Apical Membrane Antigen 1-Fab F8.12.19 Complex' . . . . . 95.24 581 100.00 100.00 4.35e-04 . . . . c25190_2mtx 1 5 no PDB 2Q8A . 'Structure Of The Malaria Antigen Ama1 In Complex With A Growth- Inhibitory Antibody' . . . . . 95.24 336 100.00 100.00 3.49e-04 . . . . c25190_2mtx 1 6 no PDB 2Q8B . 'Structure Of The Malaria Antigen Ama1 In Complex With A Growth- Inhibitory Antibody' . . . . . 95.24 336 100.00 100.00 3.49e-04 . . . . c25190_2mtx 1 7 no PDB 2Z8V . 'Structure Of An Ignar-Ama1 Complex' . . . . . 95.24 335 100.00 100.00 3.51e-04 . . . . c25190_2mtx 1 8 no PDB 2Z8W . 'Structure Of An Ignar-Ama1 Complex' . . . . . 95.24 335 100.00 100.00 3.51e-04 . . . . c25190_2mtx 1 9 no PDB 3SRI . 'Crystal Structure Of Plasmodium Falciparum Ama1 In Complex With A 29aa Pfron2 Peptide' . . . . . 95.24 381 100.00 100.00 5.79e-04 . . . . c25190_2mtx 1 10 no PDB 3SRJ . 'Pfama1 In Complex With Invasion-Inhibitory Peptide R1' . . . . . 95.24 381 100.00 100.00 5.79e-04 . . . . c25190_2mtx 1 11 no PDB 3ZWZ . 'Crystal Structure Of Plasmodium Falciparum Ama1 In Complex With A 39aa Pfron2 Peptide' . . . . . 95.24 347 100.00 100.00 4.47e-04 . . . . c25190_2mtx 1 12 no PDB 4R19 . 'Crystal Structure Of 3d7 Strain Plasmodium Falciparum Ama1' . . . . . 95.24 335 100.00 100.00 3.51e-04 . . . . c25190_2mtx 1 13 no PDB 4R1A . 'Crystal Structure Of Fvo Strain Plasmodium Falciparum Ama1' . . . . . 95.24 335 100.00 100.00 2.30e-04 . . . . c25190_2mtx 1 14 no PDB 4R1B . 'Crystal Structure Of 3d7 Strain Plasmodium Falciparum Ama1' . . . . . 95.24 335 100.00 100.00 3.51e-04 . . . . c25190_2mtx 1 15 no PDB 4R1C . 'Crystal Structure Of 3d7 Strain Plasmodium Falciparum Ama1' . . . . . 95.24 335 100.00 100.00 3.51e-04 . . . . c25190_2mtx 1 16 no DBJ BAM85358 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 622 100.00 100.00 5.38e-04 . . . . c25190_2mtx 1 17 no DBJ BAM85359 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 90.48 622 100.00 100.00 4.01e-03 . . . . c25190_2mtx 1 18 no DBJ BAM85360 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 622 100.00 100.00 6.27e-04 . . . . c25190_2mtx 1 19 no DBJ BAM85361 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 622 100.00 100.00 6.45e-04 . . . . c25190_2mtx 1 20 no DBJ BAM85362 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 90.48 622 100.00 100.00 4.63e-03 . . . . c25190_2mtx 1 21 no EMBL CAB66387 . 'apical membrane antigen 1 [Plasmodium reichenowi]' . . . . . 95.24 605 100.00 100.00 4.14e-04 . . . . c25190_2mtx 1 22 no EMBL CAB97180 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 90.48 526 100.00 100.00 3.31e-03 . . . . c25190_2mtx 1 23 no EMBL CAB97181 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 526 100.00 100.00 3.05e-04 . . . . c25190_2mtx 1 24 no EMBL CAB97183 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 526 100.00 100.00 3.70e-04 . . . . c25190_2mtx 1 25 no EMBL CAB97184 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 526 100.00 100.00 3.53e-04 . . . . c25190_2mtx 1 26 no GB AAA29475 . 'apical membrane antigen 1 [Plasmodium falciparum]' . . . . . 95.24 622 100.00 100.00 5.97e-04 . . . . c25190_2mtx 1 27 no GB AAA29476 . 'apical membrane antigen 1, partial [Plasmodium falciparum]' . . . . . 95.24 463 100.00 100.00 7.32e-04 . . . . c25190_2mtx 1 28 no GB AAA29718 . 'merozoite surface antigen [Plasmodium falciparum]' . . . . . 95.24 622 100.00 100.00 5.17e-04 . . . . c25190_2mtx 1 29 no GB AAA29719 . 'merozoite surface antigen [Plasmodium falciparum]' . . . . . 95.24 622 100.00 100.00 5.17e-04 . . . . c25190_2mtx 1 30 no GB AAA29720 . 'merozoite surface antigen [Plasmodium falciparum]' . . . . . 90.48 622 100.00 100.00 4.17e-03 . . . . c25190_2mtx 1 31 no REF XP_001348015 . 'apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]' . . . . . 95.24 622 100.00 100.00 5.22e-04 . . . . c25190_2mtx 1 32 no SP P22621 . 'RecName: Full=Apical membrane antigen 1; AltName: Full=Merozoite surface antigen; Flags: Precursor [Plasmodium falciparum FC27/' . . . . . 95.24 622 100.00 100.00 5.97e-04 . . . . c25190_2mtx 1 33 no SP P50489 . 'RecName: Full=Apical membrane antigen 1; AltName: Full=Merozoite surface antigen; Flags: Precursor [Plasmodium falciparum CAMP/' . . . . . 95.24 622 100.00 100.00 5.17e-04 . . . . c25190_2mtx 1 34 no SP P50490 . 'RecName: Full=Apical membrane antigen 1; AltName: Full=Merozoite surface antigen; Flags: Precursor [Plasmodium falciparum FCR-3' . . . . . 95.24 622 100.00 100.00 5.17e-04 . . . . c25190_2mtx 1 35 no SP P50491 . 'RecName: Full=Apical membrane antigen 1; AltName: Full=Merozoite surface antigen; Flags: Precursor [Plasmodium falciparum THTN/' . . . . . 90.48 622 100.00 100.00 4.17e-03 . . . . c25190_2mtx 1 36 no SP P50492 . 'RecName: Full=Apical membrane antigen 1; AltName: Full=Merozoite surface antigen; Flags: Precursor [Plasmodium falciparum 7G8]' . . . . . 90.48 622 100.00 100.00 5.93e-03 . . . . c25190_2mtx 1 stop_ 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 . MET . c25190_2mtx 1 2 . ILE . c25190_2mtx 1 3 . LYS . c25190_2mtx 1 4 . SER . c25190_2mtx 1 5 . ALA . c25190_2mtx 1 6 . PHE . c25190_2mtx 1 7 . LEU . c25190_2mtx 1 8 . PRO . c25190_2mtx 1 9 . THR . c25190_2mtx 1 10 . GLY . c25190_2mtx 1 11 . ALA . c25190_2mtx 1 12 . PHE . c25190_2mtx 1 13 . LYS . c25190_2mtx 1 14 . ALA . c25190_2mtx 1 15 . ASP . c25190_2mtx 1 16 . ARG . c25190_2mtx 1 17 . TYR . c25190_2mtx 1 18 . LYS . c25190_2mtx 1 19 . SER . c25190_2mtx 1 20 . HIS . c25190_2mtx 1 21 . NH2 . c25190_2mtx 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 . MET 1 1 c25190_2mtx 1 . ILE 2 2 c25190_2mtx 1 . LYS 3 3 c25190_2mtx 1 . SER 4 4 c25190_2mtx 1 . ALA 5 5 c25190_2mtx 1 . PHE 6 6 c25190_2mtx 1 . LEU 7 7 c25190_2mtx 1 . PRO 8 8 c25190_2mtx 1 . THR 9 9 c25190_2mtx 1 . GLY 10 10 c25190_2mtx 1 . ALA 11 11 c25190_2mtx 1 . PHE 12 12 c25190_2mtx 1 . LYS 13 13 c25190_2mtx 1 . ALA 14 14 c25190_2mtx 1 . ASP 15 15 c25190_2mtx 1 . ARG 16 16 c25190_2mtx 1 . TYR 17 17 c25190_2mtx 1 . LYS 18 18 c25190_2mtx 1 . SER 19 19 c25190_2mtx 1 . HIS 20 20 c25190_2mtx 1 . NH2 21 21 c25190_2mtx 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 c25190_2mtx _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 5833 organism . 'Plasmodium falciparum' 'malaria parasite' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . c25190_2mtx 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 c25190_2mtx _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25190_2mtx 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 c25190_2mtx _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 c25190_2mtx NH2 N SMILES ACDLabs 10.04 c25190_2mtx NH2 [NH2] SMILES CACTVS 3.341 c25190_2mtx NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c25190_2mtx NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c25190_2mtx NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25190_2mtx NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c25190_2mtx 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 c25190_2mtx NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25190_2mtx 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 . c25190_2mtx NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c25190_2mtx NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c25190_2mtx 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 . c25190_2mtx NH2 2 . SING N HN2 no N 2 . c25190_2mtx NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25190_2mtx _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'trifluoroethanol/water 30%/70%' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'natural abundance' . . 1 $entity . . 8 . . mM . . . . c25190_2mtx 1 2 water 'natural abundance' . . . . . . 70 . . % . . . . c25190_2mtx 1 3 trifluoroethanol 'natural abundance' . . . . . . 30 . . % . . . . c25190_2mtx 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 c25190_2mtx _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 temperature 295 . K c25190_2mtx 1 pH 3.7 . pH c25190_2mtx 1 pressure 1 . atm c25190_2mtx 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c25190_2mtx _Software.ID 1 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . c25190_2mtx 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25190_2mtx 1 refinement c25190_2mtx 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c25190_2mtx _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c25190_2mtx _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 spectrometer_1 Bruker DRX . 500 . . . c25190_2mtx 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 c25190_2mtx _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 DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25190_2mtx 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25190_2mtx 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25190_2mtx 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 c25190_2mtx _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 . . . . . . . . . c25190_2mtx 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c25190_2mtx 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c25190_2mtx 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . c25190_2mtx 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 c25190_2mtx _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 2 '2D 1H-1H TOCSY' . . . c25190_2mtx 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.420 0.02 . 1 . . . . 1 MET H . c25190_2mtx 1 2 . 1 1 1 1 MET HA H 1 4.040 0.02 . 1 . . . . 1 MET HA . c25190_2mtx 1 3 . 1 1 1 1 MET HB2 H 1 2.040 0.02 . 1 . . . . 1 MET HB2 . c25190_2mtx 1 4 . 1 1 1 1 MET HB3 H 1 2.040 0.02 . 1 . . . . 1 MET HB3 . c25190_2mtx 1 5 . 1 1 1 1 MET HG2 H 1 2.460 0.02 . 1 . . . . 1 MET HG2 . c25190_2mtx 1 6 . 1 1 1 1 MET HG3 H 1 2.460 0.02 . 1 . . . . 1 MET HG3 . c25190_2mtx 1 7 . 1 1 2 2 ILE H H 1 8.460 0.02 . 1 . . . . 2 ILE H . c25190_2mtx 1 8 . 1 1 2 2 ILE HA H 1 4.120 0.02 . 1 . . . . 2 ILE HA . c25190_2mtx 1 9 . 1 1 2 2 ILE HB H 1 1.740 0.02 . 1 . . . . 2 ILE HB . c25190_2mtx 1 10 . 1 1 2 2 ILE HG12 H 1 1.390 0.02 . 1 . . . . 2 ILE HG12 . c25190_2mtx 1 11 . 1 1 2 2 ILE HG13 H 1 1.390 0.02 . 1 . . . . 2 ILE HG13 . c25190_2mtx 1 12 . 1 1 2 2 ILE HG21 H 1 0.810 0.02 . 1 . . . . 2 ILE MG . c25190_2mtx 1 13 . 1 1 2 2 ILE HG22 H 1 0.810 0.02 . 1 . . . . 2 ILE MG . c25190_2mtx 1 14 . 1 1 2 2 ILE HG23 H 1 0.810 0.02 . 1 . . . . 2 ILE MG . c25190_2mtx 1 15 . 1 1 2 2 ILE HD11 H 1 0.760 0.02 . 1 . . . . 2 ILE MD . c25190_2mtx 1 16 . 1 1 2 2 ILE HD12 H 1 0.760 0.02 . 1 . . . . 2 ILE MD . c25190_2mtx 1 17 . 1 1 2 2 ILE HD13 H 1 0.760 0.02 . 1 . . . . 2 ILE MD . c25190_2mtx 1 18 . 1 1 3 3 LYS H H 1 8.360 0.02 . 1 . . . . 3 LYS H . c25190_2mtx 1 19 . 1 1 3 3 LYS HA H 1 4.220 0.02 . 1 . . . . 3 LYS HA . c25190_2mtx 1 20 . 1 1 3 3 LYS HB2 H 1 1.730 0.02 . 2 . . . . 3 LYS HB2 . c25190_2mtx 1 21 . 1 1 3 3 LYS HB3 H 1 1.630 0.02 . 2 . . . . 3 LYS HB3 . c25190_2mtx 1 22 . 1 1 3 3 LYS HG2 H 1 1.320 0.02 . 1 . . . . 3 LYS HG2 . c25190_2mtx 1 23 . 1 1 3 3 LYS HG3 H 1 1.320 0.02 . 1 . . . . 3 LYS HG3 . c25190_2mtx 1 24 . 1 1 3 3 LYS HD2 H 1 1.580 0.02 . 1 . . . . 3 LYS HD2 . c25190_2mtx 1 25 . 1 1 3 3 LYS HD3 H 1 1.580 0.02 . 1 . . . . 3 LYS HD3 . c25190_2mtx 1 26 . 1 1 3 3 LYS HE2 H 1 2.880 0.02 . 1 . . . . 3 LYS HE2 . c25190_2mtx 1 27 . 1 1 3 3 LYS HE3 H 1 2.880 0.02 . 1 . . . . 3 LYS HE3 . c25190_2mtx 1 28 . 1 1 4 4 SER H H 1 8.100 0.02 . 1 . . . . 4 SER H . c25190_2mtx 1 29 . 1 1 4 4 SER HA H 1 4.270 0.02 . 1 . . . . 4 SER HA . c25190_2mtx 1 30 . 1 1 4 4 SER HB2 H 1 3.730 0.02 . 2 . . . . 4 SER HB2 . c25190_2mtx 1 31 . 1 1 4 4 SER HB3 H 1 3.650 0.02 . 2 . . . . 4 SER HB3 . c25190_2mtx 1 32 . 1 1 5 5 ALA H H 1 8.180 0.02 . 1 . . . . 5 ALA H . c25190_2mtx 1 33 . 1 1 5 5 ALA HA H 1 4.160 0.02 . 1 . . . . 5 ALA HA . c25190_2mtx 1 34 . 1 1 5 5 ALA HB1 H 1 1.140 0.02 . 1 . . . . 5 ALA MB . c25190_2mtx 1 35 . 1 1 5 5 ALA HB2 H 1 1.140 0.02 . 1 . . . . 5 ALA MB . c25190_2mtx 1 36 . 1 1 5 5 ALA HB3 H 1 1.140 0.02 . 1 . . . . 5 ALA MB . c25190_2mtx 1 37 . 1 1 6 6 PHE H H 1 7.920 0.02 . 1 . . . . 6 PHE H . c25190_2mtx 1 38 . 1 1 6 6 PHE HA H 1 4.500 0.02 . 1 . . . . 6 PHE HA . c25190_2mtx 1 39 . 1 1 6 6 PHE HB2 H 1 2.990 0.02 . 2 . . . . 6 PHE HB2 . c25190_2mtx 1 40 . 1 1 6 6 PHE HB3 H 1 2.860 0.02 . 2 . . . . 6 PHE HB3 . c25190_2mtx 1 41 . 1 1 6 6 PHE HE1 H 1 7.110 0.02 . 1 . . . . 6 PHE HE1 . c25190_2mtx 1 42 . 1 1 6 6 PHE HE2 H 1 7.110 0.02 . 1 . . . . 6 PHE HE2 . c25190_2mtx 1 43 . 1 1 7 7 LEU H H 1 7.830 0.02 . 1 . . . . 7 LEU H . c25190_2mtx 1 44 . 1 1 7 7 LEU HA H 1 4.510 0.02 . 1 . . . . 7 LEU HA . c25190_2mtx 1 45 . 1 1 7 7 LEU HB2 H 1 1.460 0.02 . 1 . . . . 7 LEU HB2 . c25190_2mtx 1 46 . 1 1 7 7 LEU HB3 H 1 1.460 0.02 . 1 . . . . 7 LEU HB3 . c25190_2mtx 1 47 . 1 1 7 7 LEU HG H 1 1.370 0.02 . 1 . . . . 7 LEU HG . c25190_2mtx 1 48 . 1 1 7 7 LEU HD11 H 1 0.780 0.02 . 1 . . . . 7 LEU MD1 . c25190_2mtx 1 49 . 1 1 7 7 LEU HD12 H 1 0.780 0.02 . 1 . . . . 7 LEU MD1 . c25190_2mtx 1 50 . 1 1 7 7 LEU HD13 H 1 0.780 0.02 . 1 . . . . 7 LEU MD1 . c25190_2mtx 1 51 . 1 1 7 7 LEU HD21 H 1 0.780 0.02 . 1 . . . . 7 LEU MD2 . c25190_2mtx 1 52 . 1 1 7 7 LEU HD22 H 1 0.780 0.02 . 1 . . . . 7 LEU MD2 . c25190_2mtx 1 53 . 1 1 7 7 LEU HD23 H 1 0.780 0.02 . 1 . . . . 7 LEU MD2 . c25190_2mtx 1 54 . 1 1 8 8 PRO HA H 1 4.340 0.02 . 1 . . . . 8 PRO HA . c25190_2mtx 1 55 . 1 1 8 8 PRO HB2 H 1 2.170 0.02 . 2 . . . . 8 PRO HB2 . c25190_2mtx 1 56 . 1 1 8 8 PRO HB3 H 1 1.880 0.02 . 2 . . . . 8 PRO HB3 . c25190_2mtx 1 57 . 1 1 8 8 PRO HD2 H 1 3.600 0.02 . 2 . . . . 8 PRO HD2 . c25190_2mtx 1 58 . 1 1 8 8 PRO HD3 H 1 3.460 0.02 . 2 . . . . 8 PRO HD3 . c25190_2mtx 1 59 . 1 1 9 9 THR H H 1 7.960 0.02 . 1 . . . . 9 THR H . c25190_2mtx 1 60 . 1 1 9 9 THR HA H 1 4.140 0.02 . 1 . . . . 9 THR HA . c25190_2mtx 1 61 . 1 1 9 9 THR HG21 H 1 1.260 0.02 . 1 . . . . 9 THR MG . c25190_2mtx 1 62 . 1 1 9 9 THR HG22 H 1 1.260 0.02 . 1 . . . . 9 THR MG . c25190_2mtx 1 63 . 1 1 9 9 THR HG23 H 1 1.260 0.02 . 1 . . . . 9 THR MG . c25190_2mtx 1 64 . 1 1 10 10 GLY H H 1 8.300 0.02 . 1 . . . . 10 GLY H . c25190_2mtx 1 65 . 1 1 10 10 GLY HA2 H 1 3.820 0.02 . 1 . . . . 10 GLY HA2 . c25190_2mtx 1 66 . 1 1 10 10 GLY HA3 H 1 3.820 0.02 . 1 . . . . 10 GLY HA3 . c25190_2mtx 1 67 . 1 1 11 11 ALA H H 1 7.940 0.02 . 1 . . . . 11 ALA H . c25190_2mtx 1 68 . 1 1 11 11 ALA HA H 1 4.110 0.02 . 1 . . . . 11 ALA HA . c25190_2mtx 1 69 . 1 1 11 11 ALA HB1 H 1 1.170 0.02 . 1 . . . . 11 ALA MB . c25190_2mtx 1 70 . 1 1 11 11 ALA HB2 H 1 1.170 0.02 . 1 . . . . 11 ALA MB . c25190_2mtx 1 71 . 1 1 11 11 ALA HB3 H 1 1.170 0.02 . 1 . . . . 11 ALA MB . c25190_2mtx 1 72 . 1 1 12 12 PHE H H 1 7.950 0.02 . 1 . . . . 12 PHE H . c25190_2mtx 1 73 . 1 1 12 12 PHE HA H 1 4.410 0.02 . 1 . . . . 12 PHE HA . c25190_2mtx 1 74 . 1 1 12 12 PHE HB2 H 1 2.950 0.02 . 1 . . . . 12 PHE HB2 . c25190_2mtx 1 75 . 1 1 12 12 PHE HB3 H 1 2.950 0.02 . 1 . . . . 12 PHE HB3 . c25190_2mtx 1 76 . 1 1 12 12 PHE HE1 H 1 7.120 0.02 . 1 . . . . 12 PHE HE1 . c25190_2mtx 1 77 . 1 1 12 12 PHE HE2 H 1 7.120 0.02 . 1 . . . . 12 PHE HE2 . c25190_2mtx 1 78 . 1 1 13 13 LYS H H 1 7.910 0.02 . 1 . . . . 13 LYS H . c25190_2mtx 1 79 . 1 1 13 13 LYS HA H 1 4.040 0.02 . 1 . . . . 13 LYS HA . c25190_2mtx 1 80 . 1 1 13 13 LYS HB2 H 1 1.670 0.02 . 2 . . . . 13 LYS HB2 . c25190_2mtx 1 81 . 1 1 13 13 LYS HB3 H 1 1.590 0.02 . 2 . . . . 13 LYS HB3 . c25190_2mtx 1 82 . 1 1 13 13 LYS HG2 H 1 1.250 0.02 . 1 . . . . 13 LYS HG2 . c25190_2mtx 1 83 . 1 1 13 13 LYS HG3 H 1 1.250 0.02 . 1 . . . . 13 LYS HG3 . c25190_2mtx 1 84 . 1 1 13 13 LYS HD2 H 1 1.550 0.02 . 1 . . . . 13 LYS HD2 . c25190_2mtx 1 85 . 1 1 13 13 LYS HD3 H 1 1.550 0.02 . 1 . . . . 13 LYS HD3 . c25190_2mtx 1 86 . 1 1 13 13 LYS HE2 H 1 2.860 0.02 . 1 . . . . 13 LYS HE2 . c25190_2mtx 1 87 . 1 1 13 13 LYS HE3 H 1 2.860 0.02 . 1 . . . . 13 LYS HE3 . c25190_2mtx 1 88 . 1 1 14 14 ALA H H 1 7.800 0.02 . 1 . . . . 14 ALA H . c25190_2mtx 1 89 . 1 1 14 14 ALA HA H 1 4.090 0.02 . 1 . . . . 14 ALA HA . c25190_2mtx 1 90 . 1 1 14 14 ALA HB1 H 1 1.280 0.02 . 1 . . . . 14 ALA MB . c25190_2mtx 1 91 . 1 1 14 14 ALA HB2 H 1 1.280 0.02 . 1 . . . . 14 ALA MB . c25190_2mtx 1 92 . 1 1 14 14 ALA HB3 H 1 1.280 0.02 . 1 . . . . 14 ALA MB . c25190_2mtx 1 93 . 1 1 15 15 ASP H H 1 8.150 0.02 . 1 . . . . 15 ASP H . c25190_2mtx 1 94 . 1 1 15 15 ASP HA H 1 4.500 0.02 . 1 . . . . 15 ASP HA . c25190_2mtx 1 95 . 1 1 15 15 ASP HB2 H 1 2.720 0.02 . 1 . . . . 15 ASP HB2 . c25190_2mtx 1 96 . 1 1 15 15 ASP HB3 H 1 2.720 0.02 . 1 . . . . 15 ASP HB3 . c25190_2mtx 1 97 . 1 1 16 16 ARG H H 1 7.960 0.02 . 1 . . . . 16 ARG H . c25190_2mtx 1 98 . 1 1 16 16 ARG HA H 1 4.050 0.02 . 1 . . . . 16 ARG HA . c25190_2mtx 1 99 . 1 1 16 16 ARG HB2 H 1 1.760 0.02 . 1 . . . . 16 ARG HB2 . c25190_2mtx 1 100 . 1 1 16 16 ARG HB3 H 1 1.760 0.02 . 1 . . . . 16 ARG HB3 . c25190_2mtx 1 101 . 1 1 16 16 ARG HG2 H 1 1.540 0.02 . 2 . . . . 16 ARG HG2 . c25190_2mtx 1 102 . 1 1 16 16 ARG HG3 H 1 1.260 0.02 . 2 . . . . 16 ARG HG3 . c25190_2mtx 1 103 . 1 1 16 16 ARG HD2 H 1 2.950 0.02 . 1 . . . . 16 ARG HD2 . c25190_2mtx 1 104 . 1 1 16 16 ARG HD3 H 1 2.950 0.02 . 1 . . . . 16 ARG HD3 . c25190_2mtx 1 105 . 1 1 16 16 ARG HH11 H 1 6.980 0.02 . 1 . . . . 16 ARG HH11 . c25190_2mtx 1 106 . 1 1 16 16 ARG HH12 H 1 6.980 0.02 . 1 . . . . 16 ARG HH12 . c25190_2mtx 1 107 . 1 1 16 16 ARG HH21 H 1 6.980 0.02 . 1 . . . . 16 ARG HH21 . c25190_2mtx 1 108 . 1 1 16 16 ARG HH22 H 1 6.980 0.02 . 1 . . . . 16 ARG HH22 . c25190_2mtx 1 109 . 1 1 17 17 TYR H H 1 7.860 0.02 . 1 . . . . 17 TYR H . c25190_2mtx 1 110 . 1 1 17 17 TYR HA H 1 4.140 0.02 . 1 . . . . 17 TYR HA . c25190_2mtx 1 111 . 1 1 17 17 TYR HB2 H 1 3.000 0.02 . 2 . . . . 17 TYR HB2 . c25190_2mtx 1 112 . 1 1 17 17 TYR HB3 H 1 2.810 0.02 . 2 . . . . 17 TYR HB3 . c25190_2mtx 1 113 . 1 1 17 17 TYR HD1 H 1 7.020 0.02 . 1 . . . . 17 TYR HD1 . c25190_2mtx 1 114 . 1 1 17 17 TYR HD2 H 1 7.020 0.02 . 1 . . . . 17 TYR HD2 . c25190_2mtx 1 115 . 1 1 17 17 TYR HE1 H 1 6.690 0.02 . 1 . . . . 17 TYR HE1 . c25190_2mtx 1 116 . 1 1 17 17 TYR HE2 H 1 6.690 0.02 . 1 . . . . 17 TYR HE2 . c25190_2mtx 1 117 . 1 1 18 18 LYS H H 1 7.230 0.02 . 1 . . . . 18 LYS H . c25190_2mtx 1 118 . 1 1 18 18 LYS HA H 1 4.160 0.02 . 1 . . . . 18 LYS HA . c25190_2mtx 1 119 . 1 1 18 18 LYS HB2 H 1 1.700 0.02 . 2 . . . . 18 LYS HB2 . c25190_2mtx 1 120 . 1 1 18 18 LYS HB3 H 1 1.610 0.02 . 2 . . . . 18 LYS HB3 . c25190_2mtx 1 121 . 1 1 18 18 LYS HG2 H 1 1.260 0.02 . 1 . . . . 18 LYS HG2 . c25190_2mtx 1 122 . 1 1 18 18 LYS HG3 H 1 1.260 0.02 . 1 . . . . 18 LYS HG3 . c25190_2mtx 1 123 . 1 1 18 18 LYS HD2 H 1 1.560 0.02 . 1 . . . . 18 LYS HD2 . c25190_2mtx 1 124 . 1 1 18 18 LYS HD3 H 1 1.560 0.02 . 1 . . . . 18 LYS HD3 . c25190_2mtx 1 125 . 1 1 18 18 LYS HE2 H 1 2.870 0.02 . 1 . . . . 18 LYS HE2 . c25190_2mtx 1 126 . 1 1 18 18 LYS HE3 H 1 2.870 0.02 . 1 . . . . 18 LYS HE3 . c25190_2mtx 1 127 . 1 1 19 19 SER H H 1 8.080 0.02 . 1 . . . . 19 SER H . c25190_2mtx 1 128 . 1 1 19 19 SER HA H 1 4.230 0.02 . 1 . . . . 19 SER HA . c25190_2mtx 1 129 . 1 1 19 19 SER HB2 H 1 3.770 0.02 . 2 . . . . 19 SER HB2 . c25190_2mtx 1 130 . 1 1 19 19 SER HB3 H 1 3.700 0.02 . 2 . . . . 19 SER HB3 . c25190_2mtx 1 131 . 1 1 20 20 HIS H H 1 8.360 0.02 . 1 . . . . 20 HIS H . c25190_2mtx 1 132 . 1 1 20 20 HIS HA H 1 4.570 0.02 . 1 . . . . 20 HIS HA . c25190_2mtx 1 133 . 1 1 20 20 HIS HB2 H 1 3.200 0.02 . 2 . . . . 20 HIS HB2 . c25190_2mtx 1 134 . 1 1 20 20 HIS HB3 H 1 3.060 0.02 . 2 . . . . 20 HIS HB3 . c25190_2mtx 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 c25190_2mtx _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 1 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 c25190_2mtx _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 . . . c25190_2mtx 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 . . . . c25190_2mtx 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 MET C C -21.296 -0.889 1.527 . . . 1.0 . . . . . . . . . . . . A . 1 MET C . . . . . . . . . c25190_2mtx 1 . 1 . 2 . 1 1 1 MET CA C -21.808 -0.931 2.994 . . . 1.0 . . . . . . . . . . . . A . 1 MET CA . . . . . . . . . c25190_2mtx 1 . 1 . 3 . 1 1 1 MET CB C -22.071 -2.394 3.445 . . . 1.0 . . . . . . . . . . . . A . 1 MET CB . . . . . . . . . c25190_2mtx 1 . 1 . 4 . 1 1 1 MET CE C -19.812 -3.343 5.877 . . . 1.0 . . . . . . . . . . . . A . 1 MET CE . . . . . . . . . c25190_2mtx 1 . 1 . 5 . 1 1 1 MET CG C -22.356 -2.585 4.948 . . . 1.0 . . . . . . . . . . . . A . 1 MET CG . . . . . . . . . c25190_2mtx 1 . 1 . 6 . 1 1 1 MET H1 H -23.965 -0.502 2.855 . . . 1.0 . . . . . . . . . . . . A . 1 MET H1 . . . . . . . . . c25190_2mtx 1 . 1 . 7 . 1 1 1 MET HA H -21.025 -0.537 3.672 . . . 1.0 . . . . . . . . . . . . A . 1 MET HA . . . . . . . . . c25190_2mtx 1 . 1 . 8 . 1 1 1 MET HB2 H -22.906 -2.831 2.863 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 9 . 1 1 1 MET HB3 H -21.194 -3.018 3.190 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 10 . 1 1 1 MET HE1 H -18.925 -3.128 6.500 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE1 . . . . . . . . . c25190_2mtx 1 . 1 . 11 . 1 1 1 MET HE2 H -20.271 -4.278 6.246 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 12 . 1 1 1 MET HE3 H -19.469 -3.510 4.841 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE3 . . . . . . . . . c25190_2mtx 1 . 1 . 13 . 1 1 1 MET HG2 H -23.278 -2.049 5.237 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG2 . . . . . . . . . c25190_2mtx 1 . 1 . 14 . 1 1 1 MET HG3 H -22.541 -3.651 5.175 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG3 . . . . . . . . . c25190_2mtx 1 . 1 . 15 . 1 1 1 MET N N -23.049 -0.113 3.105 . . . 1.0 . . . . . . . . . . . . A . 1 MET N . . . . . . . . . c25190_2mtx 1 . 1 . 16 . 1 1 1 MET O O -21.974 -1.361 0.607 . . . 1.0 . . . . . . . . . . . . A . 1 MET O . . . . . . . . . c25190_2mtx 1 . 1 . 17 . 1 1 1 MET SD S -20.986 -1.972 5.959 . . . 1.0 . . . . . . . . . . . . A . 1 MET SD . . . . . . . . . c25190_2mtx 1 . 1 . 18 . 1 1 2 ILE C C -18.672 -1.518 -0.372 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c25190_2mtx 1 . 1 . 19 . 1 1 2 ILE CA C -19.446 -0.210 -0.013 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c25190_2mtx 1 . 1 . 20 . 1 1 2 ILE CB C -18.576 1.100 -0.108 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c25190_2mtx 1 . 1 . 21 . 1 1 2 ILE CD1 C -19.105 1.668 -2.614 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c25190_2mtx 1 . 1 . 22 . 1 1 2 ILE CG1 C -18.038 1.414 -1.538 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c25190_2mtx 1 . 1 . 23 . 1 1 2 ILE CG2 C -17.386 1.164 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c25190_2mtx 1 . 1 . 24 . 1 1 2 ILE H H -19.633 0.028 2.177 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c25190_2mtx 1 . 1 . 25 . 1 1 2 ILE HA H -20.267 -0.067 -0.745 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c25190_2mtx 1 . 1 . 26 . 1 1 2 ILE HB H -19.241 1.942 0.165 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c25190_2mtx 1 . 1 . 27 . 1 1 2 ILE HD11 H -19.719 0.770 -2.810 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c25190_2mtx 1 . 1 . 28 . 1 1 2 ILE HD12 H -18.639 1.954 -3.574 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c25190_2mtx 1 . 1 . 29 . 1 1 2 ILE HD13 H -19.790 2.487 -2.325 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c25190_2mtx 1 . 1 . 30 . 1 1 2 ILE HG12 H -17.396 2.314 -1.502 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c25190_2mtx 1 . 1 . 31 . 1 1 2 ILE HG13 H -17.369 0.602 -1.881 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c25190_2mtx 1 . 1 . 32 . 1 1 2 ILE HG21 H -17.711 1.008 1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c25190_2mtx 1 . 1 . 33 . 1 1 2 ILE HG22 H -16.884 2.150 0.861 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c25190_2mtx 1 . 1 . 34 . 1 1 2 ILE HG23 H -16.614 0.403 0.667 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c25190_2mtx 1 . 1 . 35 . 1 1 2 ILE N N -20.086 -0.331 1.330 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c25190_2mtx 1 . 1 . 36 . 1 1 2 ILE O O -17.817 -1.979 0.392 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c25190_2mtx 1 . 1 . 37 . 1 1 3 LYS C C -17.143 -2.835 -2.999 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c25190_2mtx 1 . 1 . 38 . 1 1 3 LYS CA C -18.305 -3.306 -2.073 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c25190_2mtx 1 . 1 . 39 . 1 1 3 LYS CB C -19.368 -4.187 -2.806 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c25190_2mtx 1 . 1 . 40 . 1 1 3 LYS CD C -19.933 -6.472 -3.844 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c25190_2mtx 1 . 1 . 41 . 1 1 3 LYS CE C -19.445 -7.905 -4.127 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c25190_2mtx 1 . 1 . 42 . 1 1 3 LYS CG C -18.882 -5.623 -3.101 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c25190_2mtx 1 . 1 . 43 . 1 1 3 LYS H H -19.703 -1.598 -2.093 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c25190_2mtx 1 . 1 . 44 . 1 1 3 LYS HA H -17.874 -3.889 -1.224 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c25190_2mtx 1 . 1 . 45 . 1 1 3 LYS HB2 H -20.325 -4.252 -2.240 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 46 . 1 1 3 LYS HB3 H -19.660 -3.698 -3.757 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 47 . 1 1 3 LYS HD2 H -20.865 -6.507 -3.246 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 48 . 1 1 3 LYS HD3 H -20.200 -5.974 -4.795 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c25190_2mtx 1 . 1 . 49 . 1 1 3 LYS HE2 H -18.522 -7.886 -4.736 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 50 . 1 1 3 LYS HE3 H -19.183 -8.418 -3.183 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c25190_2mtx 1 . 1 . 51 . 1 1 3 LYS HG2 H -17.952 -5.584 -3.699 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c25190_2mtx 1 . 1 . 52 . 1 1 3 LYS HG3 H -18.610 -6.119 -2.151 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c25190_2mtx 1 . 1 . 53 . 1 1 3 LYS HZ2 H -21.311 -8.777 -4.252 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c25190_2mtx 1 . 1 . 54 . 1 1 3 LYS HZ3 H -20.138 -9.653 -4.977 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . c25190_2mtx 1 . 1 . 55 . 1 1 3 LYS N N -18.979 -2.086 -1.555 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c25190_2mtx 1 . 1 . 56 . 1 1 3 LYS NZ N -20.470 -8.693 -4.833 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c25190_2mtx 1 . 1 . 57 . 1 1 3 LYS O O -17.358 -2.488 -4.166 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c25190_2mtx 1 . 1 . 58 . 1 1 4 SER C C -13.443 -3.068 -2.574 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c25190_2mtx 1 . 1 . 59 . 1 1 4 SER CA C -14.696 -2.384 -3.185 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c25190_2mtx 1 . 1 . 60 . 1 1 4 SER CB C -14.552 -0.839 -3.193 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c25190_2mtx 1 . 1 . 61 . 1 1 4 SER H H -15.875 -3.117 -1.468 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c25190_2mtx 1 . 1 . 62 . 1 1 4 SER HA H -14.799 -2.701 -4.243 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c25190_2mtx 1 . 1 . 63 . 1 1 4 SER HB2 H -13.648 -0.540 -3.756 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 64 . 1 1 4 SER HB3 H -15.400 -0.379 -3.735 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 65 . 1 1 4 SER HG H -15.309 -0.543 -1.447 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c25190_2mtx 1 . 1 . 66 . 1 1 4 SER N N -15.915 -2.810 -2.446 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c25190_2mtx 1 . 1 . 67 . 1 1 4 SER O O -13.221 -3.020 -1.358 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c25190_2mtx 1 . 1 . 68 . 1 1 4 SER OG O -14.491 -0.288 -1.880 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c25190_2mtx 1 . 1 . 69 . 1 1 5 ALA C C -10.235 -3.385 -2.617 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25190_2mtx 1 . 1 . 70 . 1 1 5 ALA CA C -11.366 -4.372 -3.023 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25190_2mtx 1 . 1 . 71 . 1 1 5 ALA CB C -10.903 -5.293 -4.168 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25190_2mtx 1 . 1 . 72 . 1 1 5 ALA H H -12.941 -3.736 -4.402 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25190_2mtx 1 . 1 . 73 . 1 1 5 ALA HA H -11.637 -5.035 -2.182 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25190_2mtx 1 . 1 . 74 . 1 1 5 ALA HB1 H -11.680 -6.031 -4.442 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25190_2mtx 1 . 1 . 75 . 1 1 5 ALA HB2 H -10.006 -5.874 -3.881 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 76 . 1 1 5 ALA HB3 H -10.646 -4.730 -5.085 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 77 . 1 1 5 ALA N N -12.604 -3.673 -3.440 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25190_2mtx 1 . 1 . 78 . 1 1 5 ALA O O -9.825 -2.532 -3.411 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25190_2mtx 1 . 1 . 79 . 1 1 6 PHE C C -7.249 -3.025 -1.411 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c25190_2mtx 1 . 1 . 80 . 1 1 6 PHE CA C -8.653 -2.674 -0.829 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c25190_2mtx 1 . 1 . 81 . 1 1 6 PHE CB C -8.688 -2.714 0.718 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c25190_2mtx 1 . 1 . 82 . 1 1 6 PHE CD1 C -7.847 -0.419 1.465 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c25190_2mtx 1 . 1 . 83 . 1 1 6 PHE CD2 C -6.517 -2.360 2.014 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c25190_2mtx 1 . 1 . 84 . 1 1 6 PHE CE1 C -6.883 0.402 2.044 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c25190_2mtx 1 . 1 . 85 . 1 1 6 PHE CE2 C -5.559 -1.537 2.599 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c25190_2mtx 1 . 1 . 86 . 1 1 6 PHE CG C -7.669 -1.808 1.441 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c25190_2mtx 1 . 1 . 87 . 1 1 6 PHE CZ C -5.739 -0.156 2.609 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c25190_2mtx 1 . 1 . 88 . 1 1 6 PHE H H -10.220 -4.204 -0.781 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c25190_2mtx 1 . 1 . 89 . 1 1 6 PHE HA H -8.928 -1.643 -1.060 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c25190_2mtx 1 . 1 . 90 . 1 1 6 PHE HB2 H -9.704 -2.457 1.079 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 91 . 1 1 6 PHE HB3 H -8.551 -3.759 1.013 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 92 . 1 1 6 PHE HD1 H -8.723 0.029 1.016 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c25190_2mtx 1 . 1 . 93 . 1 1 6 PHE HD2 H -6.350 -3.428 1.993 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 94 . 1 1 6 PHE HE1 H -7.021 1.474 2.052 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c25190_2mtx 1 . 1 . 95 . 1 1 6 PHE HE2 H -4.675 -1.968 3.043 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 96 . 1 1 6 PHE HZ H -4.992 0.482 3.057 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c25190_2mtx 1 . 1 . 97 . 1 1 6 PHE N N -9.732 -3.532 -1.376 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c25190_2mtx 1 . 1 . 98 . 1 1 6 PHE O O -6.836 -4.189 -1.427 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c25190_2mtx 1 . 1 . 99 . 1 1 7 LEU C C -4.205 -1.368 -1.370 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c25190_2mtx 1 . 1 . 100 . 1 1 7 LEU CA C -5.155 -2.084 -2.389 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c25190_2mtx 1 . 1 . 101 . 1 1 7 LEU CB C -5.059 -1.461 -3.811 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c25190_2mtx 1 . 1 . 102 . 1 1 7 LEU CD1 C -5.955 -1.405 -6.199 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c25190_2mtx 1 . 1 . 103 . 1 1 7 LEU CD2 C -4.932 -3.545 -5.332 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c25190_2mtx 1 . 1 . 104 . 1 1 7 LEU CG C -5.730 -2.280 -4.950 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c25190_2mtx 1 . 1 . 105 . 1 1 7 LEU H H -7.006 -1.067 -1.757 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c25190_2mtx 1 . 1 . 106 . 1 1 7 LEU HA H -4.873 -3.145 -2.502 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c25190_2mtx 1 . 1 . 107 . 1 1 7 LEU HB2 H -5.487 -0.439 -3.779 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 108 . 1 1 7 LEU HB3 H -3.995 -1.301 -4.074 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 109 . 1 1 7 LEU HD11 H -6.582 -0.524 -5.970 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c25190_2mtx 1 . 1 . 110 . 1 1 7 LEU HD12 H -5.004 -1.031 -6.622 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c25190_2mtx 1 . 1 . 111 . 1 1 7 LEU HD13 H -6.475 -1.963 -7.001 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c25190_2mtx 1 . 1 . 112 . 1 1 7 LEU HD21 H -4.827 -4.242 -4.481 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c25190_2mtx 1 . 1 . 113 . 1 1 7 LEU HD22 H -3.912 -3.302 -5.685 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c25190_2mtx 1 . 1 . 114 . 1 1 7 LEU HD23 H -5.431 -4.113 -6.139 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c25190_2mtx 1 . 1 . 115 . 1 1 7 LEU HG H -6.722 -2.610 -4.593 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c25190_2mtx 1 . 1 . 116 . 1 1 7 LEU N N -6.533 -1.973 -1.845 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c25190_2mtx 1 . 1 . 117 . 1 1 7 LEU O O -4.292 -0.138 -1.274 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c25190_2mtx 1 . 1 . 118 . 1 1 8 PRO C C -1.207 -0.618 -0.317 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c25190_2mtx 1 . 1 . 119 . 1 1 8 PRO CA C -2.385 -1.382 0.362 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c25190_2mtx 1 . 1 . 120 . 1 1 8 PRO CB C -1.941 -2.542 1.273 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c25190_2mtx 1 . 1 . 121 . 1 1 8 PRO CD C -3.211 -3.522 -0.544 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c25190_2mtx 1 . 1 . 122 . 1 1 8 PRO CG C -2.039 -3.789 0.401 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c25190_2mtx 1 . 1 . 123 . 1 1 8 PRO HA H -2.970 -0.701 1.002 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c25190_2mtx 1 . 1 . 124 . 1 1 8 PRO HB2 H -0.928 -2.407 1.701 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 125 . 1 1 8 PRO HB3 H -2.637 -2.640 2.130 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 126 . 1 1 8 PRO HD2 H -3.028 -3.979 -1.535 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 127 . 1 1 8 PRO HD3 H -4.152 -3.941 -0.137 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c25190_2mtx 1 . 1 . 128 . 1 1 8 PRO HG2 H -1.104 -3.902 -0.178 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c25190_2mtx 1 . 1 . 129 . 1 1 8 PRO HG3 H -2.180 -4.703 1.003 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c25190_2mtx 1 . 1 . 130 . 1 1 8 PRO N N -3.291 -2.050 -0.611 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c25190_2mtx 1 . 1 . 131 . 1 1 8 PRO O O -0.229 -1.222 -0.770 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c25190_2mtx 1 . 1 . 132 . 1 1 9 THR C C 0.832 1.945 0.036 . . . 1.0 . . . . . . . . . . . . A . 9 THR C . . . . . . . . . c25190_2mtx 1 . 1 . 133 . 1 1 9 THR CA C -0.312 1.619 -0.969 . . . 1.0 . . . . . . . . . . . . A . 9 THR CA . . . . . . . . . c25190_2mtx 1 . 1 . 134 . 1 1 9 THR CB C -0.960 2.925 -1.525 . . . 1.0 . . . . . . . . . . . . A . 9 THR CB . . . . . . . . . c25190_2mtx 1 . 1 . 135 . 1 1 9 THR CG2 C -1.942 2.706 -2.691 . . . 1.0 . . . . . . . . . . . . A . 9 THR CG2 . . . . . . . . . c25190_2mtx 1 . 1 . 136 . 1 1 9 THR H H -2.241 1.090 -0.106 . . . 1.0 . . . . . . . . . . . . A . 9 THR H . . . . . . . . . c25190_2mtx 1 . 1 . 137 . 1 1 9 THR HA H 0.097 1.087 -1.845 . . . 1.0 . . . . . . . . . . . . A . 9 THR HA . . . . . . . . . c25190_2mtx 1 . 1 . 138 . 1 1 9 THR HB H -0.151 3.572 -1.914 . . . 1.0 . . . . . . . . . . . . A . 9 THR HB . . . . . . . . . c25190_2mtx 1 . 1 . 139 . 1 1 9 THR HG1 H -0.984 3.787 0.198 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG1 . . . . . . . . . c25190_2mtx 1 . 1 . 140 . 1 1 9 THR HG21 H -1.459 2.179 -3.535 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG21 . . . . . . . . . c25190_2mtx 1 . 1 . 141 . 1 1 9 THR HG22 H -2.323 3.667 -3.081 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG22 . . . . . . . . . c25190_2mtx 1 . 1 . 142 . 1 1 9 THR HG23 H -2.820 2.107 -2.386 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG23 . . . . . . . . . c25190_2mtx 1 . 1 . 143 . 1 1 9 THR N N -1.326 0.722 -0.362 . . . 1.0 . . . . . . . . . . . . A . 9 THR N . . . . . . . . . c25190_2mtx 1 . 1 . 144 . 1 1 9 THR O O 0.574 2.338 1.180 . . . 1.0 . . . . . . . . . . . . A . 9 THR O . . . . . . . . . c25190_2mtx 1 . 1 . 145 . 1 1 9 THR OG1 O -1.632 3.650 -0.497 . . . 1.0 . . . . . . . . . . . . A . 9 THR OG1 . . . . . . . . . c25190_2mtx 1 . 1 . 146 . 1 1 10 GLY C C 3.742 3.564 0.273 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . c25190_2mtx 1 . 1 . 147 . 1 1 10 GLY CA C 3.279 2.101 0.410 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . c25190_2mtx 1 . 1 . 148 . 1 1 10 GLY H H 2.169 1.478 -1.389 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . c25190_2mtx 1 . 1 . 149 . 1 1 10 GLY HA2 H 3.111 1.824 1.470 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . c25190_2mtx 1 . 1 . 150 . 1 1 10 GLY HA3 H 4.101 1.439 0.081 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . c25190_2mtx 1 . 1 . 151 . 1 1 10 GLY N N 2.091 1.801 -0.419 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . c25190_2mtx 1 . 1 . 152 . 1 1 10 GLY O O 4.485 3.894 -0.655 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . c25190_2mtx 1 . 1 . 153 . 1 1 11 ALA C C 5.151 6.165 1.563 . . . 1.0 . . . . . . . . . . . . A . 11 ALA C . . . . . . . . . c25190_2mtx 1 . 1 . 154 . 1 1 11 ALA CA C 3.659 5.863 1.236 . . . 1.0 . . . . . . . . . . . . A . 11 ALA CA . . . . . . . . . c25190_2mtx 1 . 1 . 155 . 1 1 11 ALA CB C 2.687 6.609 2.173 . . . 1.0 . . . . . . . . . . . . A . 11 ALA CB . . . . . . . . . c25190_2mtx 1 . 1 . 156 . 1 1 11 ALA H H 2.621 4.040 1.871 . . . 1.0 . . . . . . . . . . . . A . 11 ALA H . . . . . . . . . c25190_2mtx 1 . 1 . 157 . 1 1 11 ALA HA H 3.450 6.247 0.224 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HA . . . . . . . . . c25190_2mtx 1 . 1 . 158 . 1 1 11 ALA HB1 H 2.777 6.276 3.225 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB1 . . . . . . . . . c25190_2mtx 1 . 1 . 159 . 1 1 11 ALA HB2 H 2.870 7.699 2.160 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 160 . 1 1 11 ALA HB3 H 1.632 6.463 1.873 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 161 . 1 1 11 ALA N N 3.310 4.420 1.219 . . . 1.0 . . . . . . . . . . . . A . 11 ALA N . . . . . . . . . c25190_2mtx 1 . 1 . 162 . 1 1 11 ALA O O 5.830 6.783 0.739 . . . 1.0 . . . . . . . . . . . . A . 11 ALA O . . . . . . . . . c25190_2mtx 1 . 1 . 163 . 1 1 12 PHE C C 7.970 4.824 2.462 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c25190_2mtx 1 . 1 . 164 . 1 1 12 PHE CA C 7.061 5.883 3.158 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c25190_2mtx 1 . 1 . 165 . 1 1 12 PHE CB C 7.093 5.890 4.719 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c25190_2mtx 1 . 1 . 166 . 1 1 12 PHE CD1 C 5.434 4.131 5.596 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c25190_2mtx 1 . 1 . 167 . 1 1 12 PHE CD2 C 7.768 3.889 6.164 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c25190_2mtx 1 . 1 . 168 . 1 1 12 PHE CE1 C 5.143 2.966 6.301 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c25190_2mtx 1 . 1 . 169 . 1 1 12 PHE CE2 C 7.471 2.733 6.882 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c25190_2mtx 1 . 1 . 170 . 1 1 12 PHE CG C 6.753 4.597 5.509 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c25190_2mtx 1 . 1 . 171 . 1 1 12 PHE CZ C 6.161 2.268 6.943 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c25190_2mtx 1 . 1 . 172 . 1 1 12 PHE H H 4.985 5.384 3.423 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c25190_2mtx 1 . 1 . 173 . 1 1 12 PHE HA H 7.377 6.896 2.856 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c25190_2mtx 1 . 1 . 174 . 1 1 12 PHE HB2 H 8.099 6.231 5.003 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 175 . 1 1 12 PHE HB3 H 6.439 6.703 5.090 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 176 . 1 1 12 PHE HD1 H 4.626 4.667 5.119 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c25190_2mtx 1 . 1 . 177 . 1 1 12 PHE HD2 H 8.793 4.230 6.121 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 178 . 1 1 12 PHE HE1 H 4.124 2.610 6.358 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c25190_2mtx 1 . 1 . 179 . 1 1 12 PHE HE2 H 8.257 2.201 7.394 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 180 . 1 1 12 PHE HZ H 5.932 1.368 7.496 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c25190_2mtx 1 . 1 . 181 . 1 1 12 PHE N N 5.657 5.712 2.731 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c25190_2mtx 1 . 1 . 182 . 1 1 12 PHE O O 8.154 3.716 2.974 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c25190_2mtx 1 . 1 . 183 . 1 1 13 LYS C C 8.892 2.843 0.298 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c25190_2mtx 1 . 1 . 184 . 1 1 13 LYS CA C 9.398 4.319 0.429 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c25190_2mtx 1 . 1 . 185 . 1 1 13 LYS CB C 10.860 4.578 0.905 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c25190_2mtx 1 . 1 . 186 . 1 1 13 LYS CD C 12.146 3.505 -1.108 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c25190_2mtx 1 . 1 . 187 . 1 1 13 LYS CE C 13.285 2.541 -1.490 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c25190_2mtx 1 . 1 . 188 . 1 1 13 LYS CG C 12.001 3.652 0.421 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c25190_2mtx 1 . 1 . 189 . 1 1 13 LYS H H 8.575 6.197 1.159 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c25190_2mtx 1 . 1 . 190 . 1 1 13 LYS HA H 9.353 4.733 -0.597 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c25190_2mtx 1 . 1 . 191 . 1 1 13 LYS HB2 H 11.134 5.613 0.622 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 192 . 1 1 13 LYS HB3 H 10.870 4.594 2.010 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 193 . 1 1 13 LYS HD2 H 11.194 3.142 -1.539 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 194 . 1 1 13 LYS HD3 H 12.324 4.500 -1.558 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c25190_2mtx 1 . 1 . 195 . 1 1 13 LYS HE2 H 14.246 2.906 -1.087 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 196 . 1 1 13 LYS HE3 H 13.119 1.547 -1.037 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c25190_2mtx 1 . 1 . 197 . 1 1 13 LYS HG2 H 12.952 4.032 0.838 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c25190_2mtx 1 . 1 . 198 . 1 1 13 LYS HG3 H 11.876 2.655 0.880 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c25190_2mtx 1 . 1 . 199 . 1 1 13 LYS HZ2 H 12.543 1.976 -3.331 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c25190_2mtx 1 . 1 . 200 . 1 1 13 LYS HZ3 H 14.148 1.713 -3.172 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c25190_2mtx 1 . 1 . 201 . 1 1 13 LYS N N 8.506 5.183 1.267 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c25190_2mtx 1 . 1 . 202 . 1 1 13 LYS NZ N 13.404 2.383 -2.950 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c25190_2mtx 1 . 1 . 203 . 1 1 13 LYS O O 9.507 1.914 0.823 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c25190_2mtx 1 . 1 . 204 . 1 1 14 ALA C C 6.848 0.434 0.667 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . c25190_2mtx 1 . 1 . 205 . 1 1 14 ALA CA C 7.077 1.332 -0.604 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . c25190_2mtx 1 . 1 . 206 . 1 1 14 ALA CB C 7.774 0.602 -1.775 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . c25190_2mtx 1 . 1 . 207 . 1 1 14 ALA H H 7.250 3.532 -0.619 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . c25190_2mtx 1 . 1 . 208 . 1 1 14 ALA HA H 6.059 1.565 -0.965 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . c25190_2mtx 1 . 1 . 209 . 1 1 14 ALA HB1 H 8.824 0.347 -1.546 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . c25190_2mtx 1 . 1 . 210 . 1 1 14 ALA HB2 H 7.258 -0.340 -2.035 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 211 . 1 1 14 ALA HB3 H 7.784 1.218 -2.694 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 212 . 1 1 14 ALA N N 7.732 2.661 -0.378 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . c25190_2mtx 1 . 1 . 213 . 1 1 14 ALA O O 6.869 -0.798 0.588 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . c25190_2mtx 1 . 1 . 214 . 1 1 15 ASP C C 7.590 -0.302 3.665 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . c25190_2mtx 1 . 1 . 215 . 1 1 15 ASP CA C 6.337 0.434 3.145 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . c25190_2mtx 1 . 1 . 216 . 1 1 15 ASP CB C 4.995 -0.352 3.182 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . c25190_2mtx 1 . 1 . 217 . 1 1 15 ASP CG C 4.544 -0.818 4.573 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . c25190_2mtx 1 . 1 . 218 . 1 1 15 ASP H H 6.756 2.088 1.781 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . c25190_2mtx 1 . 1 . 219 . 1 1 15 ASP HA H 6.256 1.298 3.805 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . c25190_2mtx 1 . 1 . 220 . 1 1 15 ASP HB2 H 4.185 0.279 2.772 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 221 . 1 1 15 ASP HB3 H 5.045 -1.222 2.500 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 222 . 1 1 15 ASP HD2 H 4.471 -2.449 5.632 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 223 . 1 1 15 ASP N N 6.580 1.077 1.828 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . c25190_2mtx 1 . 1 . 224 . 1 1 15 ASP O O 7.717 -1.523 3.535 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . c25190_2mtx 1 . 1 . 225 . 1 1 15 ASP OD1 O 4.048 -0.068 5.413 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . c25190_2mtx 1 . 1 . 226 . 1 1 15 ASP OD2 O 4.755 -2.159 4.762 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . c25190_2mtx 1 . 1 . 227 . 1 1 16 ARG C C 10.676 -0.817 3.879 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c25190_2mtx 1 . 1 . 228 . 1 1 16 ARG CA C 9.793 0.040 4.854 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c25190_2mtx 1 . 1 . 229 . 1 1 16 ARG CB C 9.708 -0.517 6.308 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c25190_2mtx 1 . 1 . 230 . 1 1 16 ARG CD C 7.429 -1.416 7.136 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c25190_2mtx 1 . 1 . 231 . 1 1 16 ARG CG C 8.841 -1.761 6.617 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c25190_2mtx 1 . 1 . 232 . 1 1 16 ARG CZ C 5.426 -2.645 8.002 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c25190_2mtx 1 . 1 . 233 . 1 1 16 ARG H H 8.271 1.499 4.152 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c25190_2mtx 1 . 1 . 234 . 1 1 16 ARG HA H 10.375 0.974 4.959 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c25190_2mtx 1 . 1 . 235 . 1 1 16 ARG HB2 H 10.741 -0.750 6.629 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 236 . 1 1 16 ARG HB3 H 9.427 0.304 6.992 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 237 . 1 1 16 ARG HD2 H 7.513 -0.796 8.049 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 238 . 1 1 16 ARG HD3 H 6.887 -0.800 6.396 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c25190_2mtx 1 . 1 . 239 . 1 1 16 ARG HG2 H 8.794 -2.425 5.734 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c25190_2mtx 1 . 1 . 240 . 1 1 16 ARG HG3 H 9.358 -2.357 7.393 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c25190_2mtx 1 . 1 . 241 . 1 1 16 ARG HH11 H 5.255 -0.651 8.227 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c25190_2mtx 1 . 1 . 242 . 1 1 16 ARG HH12 H 3.854 -1.682 8.810 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c25190_2mtx 1 . 1 . 243 . 1 1 16 ARG HH21 H 5.354 -4.642 7.891 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c25190_2mtx 1 . 1 . 244 . 1 1 16 ARG HH22 H 3.908 -3.788 8.631 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c25190_2mtx 1 . 1 . 245 . 1 1 16 ARG N N 8.490 0.502 4.279 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c25190_2mtx 1 . 1 . 246 . 1 1 16 ARG NE N 6.645 -2.639 7.429 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c25190_2mtx 1 . 1 . 247 . 1 1 16 ARG NH1 N 4.778 -1.545 8.386 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c25190_2mtx 1 . 1 . 248 . 1 1 16 ARG NH2 N 4.836 -3.810 8.194 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c25190_2mtx 1 . 1 . 249 . 1 1 16 ARG O O 11.464 -1.666 4.307 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c25190_2mtx 1 . 1 . 250 . 1 1 17 TYR C C 12.800 -0.780 1.432 . . . 1.0 . . . . . . . . . . . . A . 17 TYR C . . . . . . . . . c25190_2mtx 1 . 1 . 251 . 1 1 17 TYR CA C 11.310 -1.237 1.503 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CA . . . . . . . . . c25190_2mtx 1 . 1 . 252 . 1 1 17 TYR CB C 10.582 -1.099 0.149 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CB . . . . . . . . . c25190_2mtx 1 . 1 . 253 . 1 1 17 TYR CD1 C 10.632 -3.344 -1.063 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CD1 . . . . . . . . . c25190_2mtx 1 . 1 . 254 . 1 1 17 TYR CD2 C 11.960 -1.536 -1.956 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CD2 . . . . . . . . . c25190_2mtx 1 . 1 . 255 . 1 1 17 TYR CE1 C 11.080 -4.177 -2.085 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CE1 . . . . . . . . . c25190_2mtx 1 . 1 . 256 . 1 1 17 TYR CE2 C 12.410 -2.371 -2.976 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CE2 . . . . . . . . . c25190_2mtx 1 . 1 . 257 . 1 1 17 TYR CG C 11.071 -2.017 -0.989 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CG . . . . . . . . . c25190_2mtx 1 . 1 . 258 . 1 1 17 TYR CZ C 11.969 -3.691 -3.042 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CZ . . . . . . . . . c25190_2mtx 1 . 1 . 259 . 1 1 17 TYR H H 9.653 -0.016 2.420 . . . 1.0 . . . . . . . . . . . . A . 17 TYR H . . . . . . . . . c25190_2mtx 1 . 1 . 260 . 1 1 17 TYR HA H 11.239 -2.303 1.728 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HA . . . . . . . . . c25190_2mtx 1 . 1 . 261 . 1 1 17 TYR HB2 H 9.495 -1.259 0.282 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 262 . 1 1 17 TYR HB3 H 10.675 -0.053 -0.152 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 263 . 1 1 17 TYR HD1 H 9.945 -3.736 -0.325 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HD1 . . . . . . . . . c25190_2mtx 1 . 1 . 264 . 1 1 17 TYR HD2 H 12.316 -0.516 -1.917 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 265 . 1 1 17 TYR HE1 H 10.736 -5.200 -2.133 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HE1 . . . . . . . . . c25190_2mtx 1 . 1 . 266 . 1 1 17 TYR HE2 H 13.102 -1.991 -3.715 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 267 . 1 1 17 TYR HH H 12.012 -5.379 -3.942 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HH . . . . . . . . . c25190_2mtx 1 . 1 . 268 . 1 1 17 TYR N N 10.553 -0.525 2.566 . . . 1.0 . . . . . . . . . . . . A . 17 TYR N . . . . . . . . . c25190_2mtx 1 . 1 . 269 . 1 1 17 TYR O O 13.096 0.419 1.396 . . . 1.0 . . . . . . . . . . . . A . 17 TYR O . . . . . . . . . c25190_2mtx 1 . 1 . 270 . 1 1 17 TYR OH O 12.411 -4.512 -4.048 . . . 1.0 . . . . . . . . . . . . A . 17 TYR OH . . . . . . . . . c25190_2mtx 1 . 1 . 271 . 1 1 18 LYS C C 15.598 -1.147 -0.174 . . . 1.0 . . . . . . . . . . . . A . 18 LYS C . . . . . . . . . c25190_2mtx 1 . 1 . 272 . 1 1 18 LYS CA C 15.178 -1.514 1.283 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CA . . . . . . . . . c25190_2mtx 1 . 1 . 273 . 1 1 18 LYS CB C 15.922 -2.765 1.825 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CB . . . . . . . . . c25190_2mtx 1 . 1 . 274 . 1 1 18 LYS CD C 18.120 -3.820 2.645 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CD . . . . . . . . . c25190_2mtx 1 . 1 . 275 . 1 1 18 LYS CE C 19.645 -3.658 2.776 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CE . . . . . . . . . c25190_2mtx 1 . 1 . 276 . 1 1 18 LYS CG C 17.445 -2.586 2.015 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CG . . . . . . . . . c25190_2mtx 1 . 1 . 277 . 1 1 18 LYS H H 13.363 -2.705 1.531 . . . 1.0 . . . . . . . . . . . . A . 18 LYS H . . . . . . . . . c25190_2mtx 1 . 1 . 278 . 1 1 18 LYS HA H 15.400 -0.687 1.979 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HA . . . . . . . . . c25190_2mtx 1 . 1 . 279 . 1 1 18 LYS HB2 H 15.491 -3.049 2.806 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 280 . 1 1 18 LYS HB3 H 15.734 -3.633 1.163 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 281 . 1 1 18 LYS HD2 H 17.676 -4.014 3.640 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 282 . 1 1 18 LYS HD3 H 17.891 -4.714 2.033 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD3 . . . . . . . . . c25190_2mtx 1 . 1 . 283 . 1 1 18 LYS HE2 H 20.100 -3.463 1.787 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 284 . 1 1 18 LYS HE3 H 19.888 -2.783 3.408 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE3 . . . . . . . . . c25190_2mtx 1 . 1 . 285 . 1 1 18 LYS HG2 H 17.916 -2.368 1.037 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG2 . . . . . . . . . c25190_2mtx 1 . 1 . 286 . 1 1 18 LYS HG3 H 17.638 -1.698 2.647 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG3 . . . . . . . . . c25190_2mtx 1 . 1 . 287 . 1 1 18 LYS HZ2 H 20.113 -5.668 2.744 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ2 . . . . . . . . . c25190_2mtx 1 . 1 . 288 . 1 1 18 LYS HZ3 H 21.284 -4.741 3.409 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ3 . . . . . . . . . c25190_2mtx 1 . 1 . 289 . 1 1 18 LYS N N 13.720 -1.762 1.376 . . . 1.0 . . . . . . . . . . . . A . 18 LYS N . . . . . . . . . c25190_2mtx 1 . 1 . 290 . 1 1 18 LYS NZ N 20.266 -4.860 3.358 . . . 1.0 . . . . . . . . . . . . A . 18 LYS NZ . . . . . . . . . c25190_2mtx 1 . 1 . 291 . 1 1 18 LYS O O 15.269 -1.859 -1.129 . . . 1.0 . . . . . . . . . . . . A . 18 LYS O . . . . . . . . . c25190_2mtx 1 . 1 . 292 . 1 1 19 SER C C 18.020 -0.426 -2.178 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . c25190_2mtx 1 . 1 . 293 . 1 1 19 SER CA C 16.855 0.447 -1.626 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . c25190_2mtx 1 . 1 . 294 . 1 1 19 SER CB C 17.274 1.933 -1.511 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . c25190_2mtx 1 . 1 . 295 . 1 1 19 SER H H 16.555 0.456 0.562 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . c25190_2mtx 1 . 1 . 296 . 1 1 19 SER HA H 16.003 0.427 -2.337 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . c25190_2mtx 1 . 1 . 297 . 1 1 19 SER HB2 H 17.565 2.324 -2.503 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 298 . 1 1 19 SER HB3 H 16.418 2.555 -1.192 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 299 . 1 1 19 SER HG H 18.036 1.829 0.255 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . c25190_2mtx 1 . 1 . 300 . 1 1 19 SER N N 16.350 -0.038 -0.313 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . c25190_2mtx 1 . 1 . 301 . 1 1 19 SER O O 18.971 -0.738 -1.452 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . c25190_2mtx 1 . 1 . 302 . 1 1 19 SER OG O 18.353 2.130 -0.600 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . c25190_2mtx 1 . 1 . 303 . 1 1 20 HIS C C 19.194 -1.055 -5.560 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c25190_2mtx 1 . 1 . 304 . 1 1 20 HIS CA C 18.952 -1.643 -4.145 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c25190_2mtx 1 . 1 . 305 . 1 1 20 HIS CB C 18.523 -3.136 -4.226 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c25190_2mtx 1 . 1 . 306 . 1 1 20 HIS CD2 C 17.147 -4.293 -2.337 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c25190_2mtx 1 . 1 . 307 . 1 1 20 HIS CE1 C 18.706 -4.707 -0.989 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c25190_2mtx 1 . 1 . 308 . 1 1 20 HIS CG C 18.369 -3.849 -2.877 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c25190_2mtx 1 . 1 . 309 . 1 1 20 HIS H H 17.083 -0.477 -3.954 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c25190_2mtx 1 . 1 . 310 . 1 1 20 HIS HA H 19.906 -1.611 -3.578 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c25190_2mtx 1 . 1 . 311 . 1 1 20 HIS HB2 H 17.583 -3.228 -4.806 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c25190_2mtx 1 . 1 . 312 . 1 1 20 HIS HB3 H 19.269 -3.697 -4.820 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c25190_2mtx 1 . 1 . 313 . 1 1 20 HIS HD2 H 16.181 -4.190 -2.810 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c25190_2mtx 1 . 1 . 314 . 1 1 20 HIS HE1 H 19.220 -5.060 -0.108 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c25190_2mtx 1 . 1 . 315 . 1 1 20 HIS HE2 H 16.679 -5.273 -0.440 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE2 . . . . . . . . . c25190_2mtx 1 . 1 . 316 . 1 1 20 HIS N N 17.925 -0.805 -3.466 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c25190_2mtx 1 . 1 . 317 . 1 1 20 HIS ND1 N 19.420 -4.117 -2.004 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c25190_2mtx 1 . 1 . 318 . 1 1 20 HIS NE2 N 17.351 -4.862 -1.097 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c25190_2mtx 1 . 1 . 319 . 1 1 20 HIS O O 18.323 -1.065 -6.432 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c25190_2mtx 1 . 1 . 320 . 1 1 21 NH2 HN1 H 20.515 -0.151 -6.772 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 HN1 . . . . . . . . . c25190_2mtx 1 . 1 . 321 . 1 1 21 NH2 HN2 H 21.075 -0.548 -5.070 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 HN2 . . . . . . . . . c25190_2mtx 1 . 1 . 322 . 1 1 21 NH2 N N 20.383 -0.530 -5.828 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 N . . . . . . . . . c25190_2mtx 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 c25190_2mtx _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 2mtx.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25190_2mtx 1 1 2mtx.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 c25190_2mtx 1 1 2mtx.mr . . DISCOVER 3 stereochemistry chirality 'Not applicable' 0 c25190_2mtx 1 1 2mtx.mr . . DISCOVER 4 distance 'hydrogen bond' simple 2 c25190_2mtx 1 1 2mtx.mr . . DISCOVER 5 distance NOE simple 100 c25190_2mtx 1 1 2mtx.mr . . DISCOVER 6 'dihedral angle' 'Not applicable' 'Not applicable' 19 c25190_2mtx 1 1 2mtx.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25190_2mtx 1 stop_ save_ save_Discover_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c25190_2mtx _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 5 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 . . . . c25190_2mtx 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 . . 1 1 9 9 THR H H . . . 1 1 8 8 PRO HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 8 PRO HA . 1 . 9 THR HN . . . 1 . 8 PRO HA . . c25190_2mtx 1 2 1 . . 1 1 13 13 LYS H H . . . 1 1 12 12 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 12 PHE HA . 1 . 13 LYS HN . . . 1 . 12 PHE HA . . c25190_2mtx 1 3 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE HA . . A . 12 PHE H . 1 . 12 PHE HA . . . 1 . 12 PHE HN . . c25190_2mtx 1 4 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ARG H . . A . 15 ASP HA . 1 . 16 ARG HN . . . 1 . 15 ASP HA . . c25190_2mtx 1 5 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 17 TYR HA . 1 . 17 TYR HN . . . 1 . 17 TYR HA . . c25190_2mtx 1 6 1 . . 1 1 17 17 TYR HA H . . . 1 1 18 18 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR HA . . A . 18 LYS H . 1 . 17 TYR HA . . . 1 . 18 LYS HN . . c25190_2mtx 1 7 1 . . 1 1 15 15 ASP HA H . . . 1 1 17 17 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 ASP HA . . A . 17 TYR H . 1 . 15 ASP HA . . . 1 . 17 TYR HN . . c25190_2mtx 1 8 1 . . 1 1 7 7 LEU H H . . . 1 1 6 6 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU H . . A . 6 PHE HA . 1 . 7 LEU HN . . . 1 . 6 PHE HA . . c25190_2mtx 1 9 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE HA . . A . 6 PHE H . 1 . 6 PHE HA . . . 1 . 6 PHE HN . . c25190_2mtx 1 10 1 . . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 ASP HA . . A . 15 ASP H . 1 . 15 ASP HA . . . 1 . 15 ASP HN . . c25190_2mtx 1 11 1 . . 1 1 2 2 ILE H H . . . 1 1 1 1 MET HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 1 MET HA . 1 . 2 ILE HN . . . 1 . 1 MET HA . . c25190_2mtx 1 12 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ILE H . . A . 2 ILE HA . 1 . 2 ILE HN . . . 1 . 2 ILE HA . . c25190_2mtx 1 13 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 3 LYS H . 1 . 2 ILE HA . . . 1 . 3 LYS HN . . c25190_2mtx 1 14 1 . . 1 1 20 20 HIS H H . . . 1 1 19 19 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS H . . A . 19 SER HA . 1 . 20 HIS HN . . . 1 . 19 SER HA . . c25190_2mtx 1 15 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 THR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 GLY H . . A . 9 THR HA . 1 . 10 GLY HN . . . 1 . 9 THR HA . . c25190_2mtx 1 16 1 . . 1 1 15 15 ASP H H . . . 1 1 14 14 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 15 ASP H . . A . 14 ALA HA . 1 . 15 ASP HN . . . 1 . 14 ALA HA . . c25190_2mtx 1 17 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ALA H . . A . 5 ALA HA . 1 . 5 ALA HN . . . 1 . 5 ALA HA . . c25190_2mtx 1 18 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ALA H . . A . 4 SER HA . 1 . 5 ALA HN . . . 1 . 4 SER HA . . c25190_2mtx 1 19 1 . . 1 1 19 19 SER H H . . . 1 1 18 18 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 19 SER H . . A . 18 LYS HA . 1 . 19 SER HN . . . 1 . 18 LYS HA . . c25190_2mtx 1 20 1 . . 1 1 4 4 SER H H . . . 1 1 3 3 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 SER H . . A . 3 LYS HA . 1 . 4 SER HN . . . 1 . 3 LYS HA . . c25190_2mtx 1 21 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HA . 1 . 18 LYS HN . . . 1 . 18 LYS HA . . c25190_2mtx 1 22 1 . . 1 1 17 17 TYR H H . . . 1 1 16 16 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 16 ARG HA . 1 . 17 TYR HN . . . 1 . 16 ARG HA . . c25190_2mtx 1 23 1 . . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ARG H . . A . 16 ARG HA . 1 . 16 ARG HN . . . 1 . 16 ARG HA . . c25190_2mtx 1 24 1 . . 1 1 11 11 ALA H H . . . 1 1 11 11 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 11 ALA H . . A . 11 ALA HA . 1 . 11 ALA HN . . . 1 . 11 ALA HA . . c25190_2mtx 1 25 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 13 LYS HA . 1 . 13 LYS HN . . . 1 . 13 LYS HA . . c25190_2mtx 1 26 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 9 THR HA . 1 . 9 THR HN . . . 1 . 9 THR HA . . c25190_2mtx 1 27 1 . . 1 1 6 6 PHE H H . . . 1 1 5 5 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE H . . A . 5 ALA HA . 1 . 6 PHE HN . . . 1 . 5 ALA HA . . c25190_2mtx 1 28 1 . . 1 1 13 13 LYS HA H . . . 1 1 14 14 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS HA . . A . 14 ALA H . 1 . 13 LYS HA . . . 1 . 14 ALA HN . . c25190_2mtx 1 29 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 HIS H . . A . 20 HIS HA . 1 . 20 HIS HN . . . 1 . 20 HIS HA . . c25190_2mtx 1 30 1 OR . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 GLY H . . A . 10 GLY HA2 . 1 . 10 GLY HN . . . 1 . 10 GLY HA* . . c25190_2mtx 1 30 2 OR . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 GLY H . . A . 10 GLY HA3 . 1 . 10 GLY HN . . . 1 . 10 GLY HA* . . c25190_2mtx 1 31 1 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA H . . A . 10 GLY HA2 . 1 . 11 ALA HN . . . 1 . 10 GLY HA* . . c25190_2mtx 1 31 2 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA H . . A . 10 GLY HA3 . 1 . 11 ALA HN . . . 1 . 10 GLY HA* . . c25190_2mtx 1 32 1 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP H . . A . 15 ASP HB2 . 1 . 15 ASP HN . . . 1 . 15 ASP HB* . . c25190_2mtx 1 32 2 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP H . . A . 15 ASP HB3 . 1 . 15 ASP HN . . . 1 . 15 ASP HB* . . c25190_2mtx 1 33 1 OR . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 15 ASP HB2 . 1 . 16 ARG HN . . . 1 . 15 ASP HB* . . c25190_2mtx 1 33 2 OR . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 15 ASP HB3 . 1 . 16 ARG HN . . . 1 . 15 ASP HB* . . c25190_2mtx 1 34 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE H . . A . 6 PHE HB3 . 1 . 6 PHE HN . . . 1 . 6 PHE HBS . . c25190_2mtx 1 35 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 17 TYR HB3 . 1 . 17 TYR HN . . . 1 . 17 TYR HBS . . c25190_2mtx 1 36 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 17 TYR HB2 . 1 . 17 TYR HN . . . 1 . 17 TYR HBR . . c25190_2mtx 1 37 1 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 16 ARG HD2 . 1 . 16 ARG HN . . . 1 . 16 ARG HD* . . c25190_2mtx 1 37 2 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 16 ARG HD3 . 1 . 16 ARG HN . . . 1 . 16 ARG HD* . . c25190_2mtx 1 38 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE H . . A . 6 PHE HB2 . 1 . 6 PHE HN . . . 1 . 6 PHE HBR . . c25190_2mtx 1 39 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE H . . A . 12 PHE HB3 . 1 . 12 PHE HN . . . 1 . 12 PHE HBS . . c25190_2mtx 1 40 1 . . 1 1 6 6 PHE HB3 H . . . 1 1 6 6 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 6 PHE HB3 . . A . 6 PHE QD . 1 . 6 PHE HBS . . . 1 . 6 PHE HD* . . c25190_2mtx 1 41 1 . . 1 1 6 6 PHE HB2 H . . . 1 1 6 6 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 6 PHE HB2 . . A . 6 PHE QD . 1 . 6 PHE HBR . . . 1 . 6 PHE HD* . . c25190_2mtx 1 42 1 . . 1 1 17 17 TYR HB3 H . . . 1 1 17 17 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 17 TYR HB3 . . A . 17 TYR QD . 1 . 17 TYR HBS . . . 1 . 17 TYR HD* . . c25190_2mtx 1 43 1 . . 1 1 17 17 TYR HB2 H . . . 1 1 17 17 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 17 TYR HB2 . . A . 17 TYR QD . 1 . 17 TYR HBR . . . 1 . 17 TYR HD* . . c25190_2mtx 1 44 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 12 PHE H . . A . 12 PHE HB2 . 1 . 12 PHE HN . . . 1 . 12 PHE HBR . . c25190_2mtx 1 45 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS H . . A . 3 LYS HB3 . 1 . 3 LYS HN . . . 1 . 3 LYS HBS . . c25190_2mtx 1 46 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS H . . A . 3 LYS HB2 . 1 . 3 LYS HN . . . 1 . 3 LYS HBR . . c25190_2mtx 1 47 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 2 ILE HB . 1 . 2 ILE HN . . . 1 . 2 ILE HB . . c25190_2mtx 1 48 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ALA H . . A . 5 ALA MB . 1 . 5 ALA HN . . . 1 . 5 ALA HB* . . c25190_2mtx 1 49 1 . . 1 1 11 11 ALA H H . . . 1 1 11 11 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA H . . A . 11 ALA MB . 1 . 11 ALA HN . . . 1 . 11 ALA HB* . . c25190_2mtx 1 50 1 . . 1 1 14 14 ALA H H . . . 1 1 14 14 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ALA H . . A . 14 ALA MB . 1 . 14 ALA HN . . . 1 . 14 ALA HB* . . c25190_2mtx 1 51 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 13 LYS H . . A . 13 LYS HG2 . 1 . 13 LYS HN . . . 1 . 13 LYS HG* . . c25190_2mtx 1 51 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 13 LYS H . . A . 13 LYS HG3 . 1 . 13 LYS HN . . . 1 . 13 LYS HG* . . c25190_2mtx 1 52 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 LYS H . . A . 18 LYS HG2 . 1 . 18 LYS HN . . . 1 . 18 LYS HG* . . c25190_2mtx 1 52 2 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 LYS H . . A . 18 LYS HG3 . 1 . 18 LYS HN . . . 1 . 18 LYS HG* . . c25190_2mtx 1 53 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU H . . A . 7 LEU HB2 . 1 . 7 LEU HN . . . 1 . 7 LEU HB* . . c25190_2mtx 1 53 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU H . . A . 7 LEU HB3 . 1 . 7 LEU HN . . . 1 . 7 LEU HB* . . c25190_2mtx 1 54 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HB3 . 1 . 18 LYS HN . . . 1 . 18 LYS HBS . . c25190_2mtx 1 55 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HB2 . 1 . 18 LYS HN . . . 1 . 18 LYS HBR . . c25190_2mtx 1 56 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 13 LYS HB2 . 1 . 13 LYS HN . . . 1 . 13 LYS HBR . . c25190_2mtx 1 57 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 13 LYS HB3 . 1 . 13 LYS HN . . . 1 . 13 LYS HBS . . c25190_2mtx 1 58 1 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 ARG H . . A . 16 ARG HB2 . 1 . 16 ARG HN . . . 1 . 16 ARG HB* . . c25190_2mtx 1 58 2 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 ARG H . . A . 16 ARG HB3 . 1 . 16 ARG HN . . . 1 . 16 ARG HB* . . c25190_2mtx 1 59 1 OR . 1 1 9 9 THR H H . . . 1 1 9 9 THR MG H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 9 THR MG . 1 . 9 THR HN . . . 1 . 9 THR HG* . . c25190_2mtx 1 59 2 OR . 1 1 9 9 THR H H . . . 1 1 9 9 THR HG1 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 9 THR HG1 . 1 . 9 THR HN . . . 1 . 9 THR HG* . . c25190_2mtx 1 60 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD1 H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU H . . A . 7 LEU MD1 . 1 . 7 LEU HN . . . 1 . 7 LEU HD* . . c25190_2mtx 1 60 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD2 H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . 1 . 7 LEU HN . . . 1 . 7 LEU HD* . . c25190_2mtx 1 61 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 12 PHE HA . . A . 12 PHE QD . 1 . 12 PHE HA . . . 1 . 12 PHE HD* . . c25190_2mtx 1 62 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE QD H . . . . . 3.5 2.8 5.5 . . . . . A . 6 PHE HA . . A . 6 PHE QD . 1 . 6 PHE HA . . . 1 . 6 PHE HD* . . c25190_2mtx 1 63 1 . . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 17 TYR HA . . A . 17 TYR QD . 1 . 17 TYR HA . . . 1 . 17 TYR HD* . . c25190_2mtx 1 64 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE HA . . A . 12 PHE HB2 . 1 . 12 PHE HA . . . 1 . 12 PHE HBR . . c25190_2mtx 1 65 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE HA . . A . 6 PHE HB2 . 1 . 6 PHE HA . . . 1 . 6 PHE HBR . . c25190_2mtx 1 66 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE HA . . A . 6 PHE HB3 . 1 . 6 PHE HA . . . 1 . 6 PHE HBS . . c25190_2mtx 1 67 1 . . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR HA . . A . 17 TYR HB3 . 1 . 17 TYR HA . . . 1 . 17 TYR HBS . . c25190_2mtx 1 68 1 OR . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP HA . . A . 15 ASP HB2 . 1 . 15 ASP HA . . . 1 . 15 ASP HB* . . c25190_2mtx 1 68 2 OR . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP HA . . A . 15 ASP HB3 . 1 . 15 ASP HA . . . 1 . 15 ASP HB* . . c25190_2mtx 1 69 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE HA . . A . 12 PHE HB3 . 1 . 12 PHE HA . . . 1 . 12 PHE HBS . . c25190_2mtx 1 70 1 . . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR HA . . A . 17 TYR HB2 . 1 . 17 TYR HA . . . 1 . 17 TYR HBR . . c25190_2mtx 1 71 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HA . . A . 8 PRO HB2 . 1 . 8 PRO HA . . . 1 . 8 PRO HBR . . c25190_2mtx 1 72 1 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HA . . A . 8 PRO HG2 . 1 . 8 PRO HA . . . 1 . 8 PRO HG* . . c25190_2mtx 1 72 2 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HA . . A . 8 PRO HG3 . 1 . 8 PRO HA . . . 1 . 8 PRO HG* . . c25190_2mtx 1 73 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU HA . . A . 7 LEU HB2 . 1 . 7 LEU HA . . . 1 . 7 LEU HB* . . c25190_2mtx 1 73 2 OR . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU HA H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU HB3 . . A . 7 LEU HA . 1 . 7 LEU HB* . . . 1 . 7 LEU HA . . c25190_2mtx 1 74 1 . . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU HA . . A . 7 LEU HG . 1 . 7 LEU HA . . . 1 . 7 LEU HG . . c25190_2mtx 1 75 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LYS HA . . A . 3 LYS HB2 . 1 . 3 LYS HA . . . 1 . 3 LYS HBR . . c25190_2mtx 1 76 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LYS HA . . A . 3 LYS HB3 . 1 . 3 LYS HA . . . 1 . 3 LYS HBS . . c25190_2mtx 1 77 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS HA . . A . 18 LYS HB2 . 1 . 18 LYS HA . . . 1 . 18 LYS HBR . . c25190_2mtx 1 78 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 18 LYS HA . . A . 18 LYS HB3 . 1 . 18 LYS HA . . . 1 . 18 LYS HBS . . c25190_2mtx 1 79 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 2 ILE HB . 1 . 2 ILE HA . . . 1 . 2 ILE HB . . c25190_2mtx 1 80 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS HA . . A . 13 LYS HB2 . 1 . 13 LYS HA . . . 1 . 13 LYS HBR . . c25190_2mtx 1 81 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 13 LYS HA . . A . 13 LYS HB3 . 1 . 13 LYS HA . . . 1 . 13 LYS HBS . . c25190_2mtx 1 82 1 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HD2 . 1 . 13 LYS HA . . . 1 . 13 LYS HD* . . c25190_2mtx 1 82 2 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HD3 . 1 . 13 LYS HA . . . 1 . 13 LYS HD* . . c25190_2mtx 1 83 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HA . . A . 8 PRO HB3 . 1 . 8 PRO HA . . . 1 . 8 PRO HBS . . c25190_2mtx 1 84 1 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HG2 . 1 . 13 LYS HA . . . 1 . 13 LYS HG* . . c25190_2mtx 1 84 2 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HG3 . 1 . 13 LYS HA . . . 1 . 13 LYS HG* . . c25190_2mtx 1 85 1 . . 1 1 14 14 ALA HA H . . . 1 1 14 14 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ALA HA . . A . 14 ALA MB . 1 . 14 ALA HA . . . 1 . 14 ALA HB* . . c25190_2mtx 1 86 1 . . 1 1 11 11 ALA HA H . . . 1 1 11 11 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA HA . . A . 11 ALA MB . 1 . 11 ALA HA . . . 1 . 11 ALA HB* . . c25190_2mtx 1 87 1 . . 1 1 5 5 ALA HA H . . . 1 1 5 5 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ALA HA . . A . 5 ALA MB . 1 . 5 ALA HA . . . 1 . 5 ALA HB* . . c25190_2mtx 1 88 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MD H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ILE HA . . A . 2 ILE MD . 1 . 2 ILE HA . . . 1 . 2 ILE HD1* . . c25190_2mtx 1 89 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD1 H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU HA . . A . 7 LEU MD1 . 1 . 7 LEU HA . . . 1 . 7 LEU HD* . . c25190_2mtx 1 89 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 7 7 LEU HA H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU MD2 . . A . 7 LEU HA . 1 . 7 LEU HD* . . . 1 . 7 LEU HA . . c25190_2mtx 1 90 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HD3 . . A . 8 PRO HG2 . 1 . 8 PRO HDR . . . 1 . 8 PRO HG* . . c25190_2mtx 1 90 2 OR . 1 1 8 8 PRO HG3 H . . . 1 1 8 8 PRO HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HG3 . . A . 8 PRO HD3 . 1 . 8 PRO HG* . . . 1 . 8 PRO HDR . . c25190_2mtx 1 91 1 OR . 1 1 8 8 PRO HD2 H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HD2 . . A . 8 PRO HG2 . 1 . 8 PRO HDS . . . 1 . 8 PRO HG* . . c25190_2mtx 1 91 2 OR . 1 1 8 8 PRO HG3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HG3 . . A . 8 PRO HD2 . 1 . 8 PRO HG* . . . 1 . 8 PRO HDS . . c25190_2mtx 1 92 1 . . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HD3 . . A . 8 PRO HD2 . 1 . 8 PRO HDR . . . 1 . 8 PRO HDS . . c25190_2mtx 1 93 1 . . 1 1 7 7 LEU HA H . . . 1 1 8 8 PRO HD2 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU HA . . A . 8 PRO HD2 . 1 . 7 LEU HA . . . 1 . 8 PRO HDS . . c25190_2mtx 1 94 1 . . 1 1 7 7 LEU HA H . . . 1 1 8 8 PRO HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU HA . . A . 8 PRO HD3 . 1 . 7 LEU HA . . . 1 . 8 PRO HDR . . c25190_2mtx 1 95 1 OR . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HB2 . . A . 8 PRO HG2 . 1 . 8 PRO HBR . . . 1 . 8 PRO HG* . . c25190_2mtx 1 95 2 OR . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HB2 . . A . 8 PRO HG3 . 1 . 8 PRO HBR . . . 1 . 8 PRO HG* . . c25190_2mtx 1 96 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HB2 . . A . 8 PRO HB3 . 1 . 8 PRO HBR . . . 1 . 8 PRO HBS . . c25190_2mtx 1 97 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ARG H . . A . 15 ASP H . 1 . 16 ARG HN . . . 1 . 15 ASP HN . . c25190_2mtx 1 98 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 LYS H . . A . 14 ALA H . 1 . 13 LYS HN . . . 1 . 14 ALA HN . . c25190_2mtx 1 99 1 . . 1 1 15 15 ASP H H . . . 1 1 14 14 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 ASP H . . A . 14 ALA H . 1 . 15 ASP HN . . . 1 . 14 ALA HN . . c25190_2mtx 1 100 1 . . 1 1 17 17 TYR QD H . . . 1 1 17 17 TYR QE H . . . . . 2.8 1.8 6.8 . . . . . A . 17 TYR QD . . A . 17 TYR QE . 1 . 17 TYR HD* . . . 1 . 17 TYR HE* . . c25190_2mtx 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 NOE_distance 1 1 1 13 c25190_2mtx 1 2 strong: 2 87 2 102 c25190_2mtx 1 3 strong: 3 87 3 102 c25190_2mtx 1 4 strong: 4 87 4 102 c25190_2mtx 1 5 strong: 5 87 5 102 c25190_2mtx 1 6 strong: 6 87 6 102 c25190_2mtx 1 7 strong: 7 87 7 102 c25190_2mtx 1 8 medium: 8 87 8 101 c25190_2mtx 1 9 strong: 9 87 9 102 c25190_2mtx 1 10 strong: 10 87 10 102 c25190_2mtx 1 11 strong: 11 87 11 102 c25190_2mtx 1 12 strong: 12 87 12 102 c25190_2mtx 1 13 medium: 13 87 13 102 c25190_2mtx 1 14 strong: 14 87 14 102 c25190_2mtx 1 15 strong: 15 87 15 102 c25190_2mtx 1 16 strong: 16 87 16 102 c25190_2mtx 1 17 medium: 17 87 17 102 c25190_2mtx 1 18 strong: 18 87 18 102 c25190_2mtx 1 19 strong: 19 87 19 102 c25190_2mtx 1 20 strong: 20 87 20 102 c25190_2mtx 1 21 strong: 21 87 21 102 c25190_2mtx 1 22 strong: 22 87 22 102 c25190_2mtx 1 23 strong: 23 87 23 102 c25190_2mtx 1 24 strong: 24 87 24 102 c25190_2mtx 1 25 strong: 25 87 25 102 c25190_2mtx 1 26 strong: 26 87 26 102 c25190_2mtx 1 27 strong: 27 87 27 102 c25190_2mtx 1 28 strong: 28 87 28 102 c25190_2mtx 1 29 strong: 29 87 29 102 c25190_2mtx 1 30 medium: 30 87 30 102 c25190_2mtx 1 31 strong: 31 87 31 102 c25190_2mtx 1 32 strong: 32 87 32 102 c25190_2mtx 1 33 strong: 33 87 33 102 c25190_2mtx 1 34 medium: 34 87 34 102 c25190_2mtx 1 35 strong: 35 87 35 102 c25190_2mtx 1 36 strong: 36 87 36 102 c25190_2mtx 1 37 strong: 37 87 37 102 c25190_2mtx 1 38 medium: 38 87 38 102 c25190_2mtx 1 39 strong: 39 87 39 102 c25190_2mtx 1 40 strong: 40 87 40 102 c25190_2mtx 1 41 strong: 41 87 41 102 c25190_2mtx 1 42 strong: 42 87 42 102 c25190_2mtx 1 43 strong: 43 87 43 102 c25190_2mtx 1 44 strong: 44 87 44 102 c25190_2mtx 1 45 medium: 45 87 45 102 c25190_2mtx 1 46 strong: 46 87 46 102 c25190_2mtx 1 47 strong: 47 87 47 102 c25190_2mtx 1 48 strong: 48 87 48 102 c25190_2mtx 1 49 strong: 49 87 49 102 c25190_2mtx 1 50 strong: 50 87 50 102 c25190_2mtx 1 51 strong: 51 87 51 102 c25190_2mtx 1 52 weak: 52 87 52 100 c25190_2mtx 1 53 weak: 53 87 53 100 c25190_2mtx 1 54 strong: 54 87 54 102 c25190_2mtx 1 55 strong: 55 87 55 102 c25190_2mtx 1 56 strong: 56 87 56 102 c25190_2mtx 1 57 strong: 57 87 57 102 c25190_2mtx 1 58 strong: 58 87 58 102 c25190_2mtx 1 59 strong: 59 87 59 102 c25190_2mtx 1 60 strong: 60 87 60 102 c25190_2mtx 1 61 strong: 61 87 61 102 c25190_2mtx 1 62 strong: 62 87 62 102 c25190_2mtx 1 63 medium: 63 87 63 102 c25190_2mtx 1 64 strong: 64 87 64 102 c25190_2mtx 1 65 strong: 65 87 65 102 c25190_2mtx 1 66 strong: 66 87 66 102 c25190_2mtx 1 67 strong: 67 87 67 102 c25190_2mtx 1 68 strong: 68 87 68 102 c25190_2mtx 1 69 strong: 69 87 69 102 c25190_2mtx 1 70 strong: 70 87 70 102 c25190_2mtx 1 71 strong: 71 87 71 102 c25190_2mtx 1 72 strong: 72 87 72 102 c25190_2mtx 1 73 strong: 73 87 73 102 c25190_2mtx 1 74 strong: 74 87 74 102 c25190_2mtx 1 75 strong: 75 87 75 102 c25190_2mtx 1 76 medium: 76 87 76 102 c25190_2mtx 1 77 medium: 77 87 77 102 c25190_2mtx 1 78 strong: 78 87 78 102 c25190_2mtx 1 79 medium: 79 87 79 102 c25190_2mtx 1 80 strong: 80 87 80 102 c25190_2mtx 1 81 strong: 81 87 81 102 c25190_2mtx 1 82 medium: 82 87 82 102 c25190_2mtx 1 83 strong: 83 87 83 102 c25190_2mtx 1 84 strong: 84 87 84 102 c25190_2mtx 1 85 strong: 85 87 85 102 c25190_2mtx 1 86 strong: 86 87 86 102 c25190_2mtx 1 87 strong: 87 87 87 102 c25190_2mtx 1 88 strong: 88 87 88 102 c25190_2mtx 1 89 strong: 89 87 89 102 c25190_2mtx 1 90 strong: 90 87 90 102 c25190_2mtx 1 91 strong: 91 87 91 102 c25190_2mtx 1 92 strong: 92 87 92 102 c25190_2mtx 1 93 strong: 93 87 93 102 c25190_2mtx 1 94 strong: 94 87 94 102 c25190_2mtx 1 95 strong: 95 87 95 102 c25190_2mtx 1 96 strong: 96 87 96 102 c25190_2mtx 1 97 strong: 97 87 97 102 c25190_2mtx 1 98 strong: 98 87 98 102 c25190_2mtx 1 99 medium: 99 87 99 101 c25190_2mtx 1 100 strong: 100 87 100 102 c25190_2mtx 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 1.500000E+02 104 1 104 12 c25190_2mtx 1 stop_ save_ save_Discover_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c25190_2mtx _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 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 . . . . c25190_2mtx 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 16 16 ARG H H . . . 1 1 12 12 PHE O O . . . . . . 1.8 2.5 . . . . . A . 16 ARG H . . A . 12 PHE O . 1 . 16 ARG HN . . . 1 . 12 PHE O . . c25190_2mtx 2 2 1 . . 1 1 17 17 TYR H H . . . 1 1 13 13 LYS O O . . . . . . 1.8 2.5 . . . . . A . 17 TYR H . . A . 13 LYS O . 1 . 17 TYR HN . . . 1 . 13 LYS O . . c25190_2mtx 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 distance 1 1 1 9 c25190_2mtx 2 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6 _Torsion_angle_constraint_list.Entry_ID c25190_2mtx _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 6 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 . . . . c25190_2mtx 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 1 1 MET CA C . . 1 1 1 1 MET C C . . 1 1 2 2 ILE N N . . 1 1 2 2 ILE CA C . 178.0 180.0 . . . A . 1 MET CA . . A . 1 MET C . . A . 2 ILE N . . A . 2 ILE CA . 1 . 1 MET CA . . . 1 . 1 MET C . . . 1 . 2 ILE N . . . 1 . 2 ILE CA . . c25190_2mtx 1 2 . . 1 1 2 2 ILE CA C . . 1 1 2 2 ILE C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . 178.0 180.0 . . . A . 2 ILE CA . . A . 2 ILE C . . A . 3 LYS N . . A . 3 LYS CA . 1 . 2 ILE CA . . . 1 . 2 ILE C . . . 1 . 3 LYS N . . . 1 . 3 LYS CA . . c25190_2mtx 1 3 . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . 178.0 180.0 . . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 SER N . . A . 4 SER CA . 1 . 3 LYS CA . . . 1 . 3 LYS C . . . 1 . 4 SER N . . . 1 . 4 SER CA . . c25190_2mtx 1 4 . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . . 1 1 5 5 ALA N N . . 1 1 5 5 ALA CA C . 178.0 180.0 . . . A . 4 SER CA . . A . 4 SER C . . A . 5 ALA N . . A . 5 ALA CA . 1 . 4 SER CA . . . 1 . 4 SER C . . . 1 . 5 ALA N . . . 1 . 5 ALA CA . . c25190_2mtx 1 5 . . 1 1 5 5 ALA CA C . . 1 1 5 5 ALA C C . . 1 1 6 6 PHE N N . . 1 1 6 6 PHE CA C . 178.0 180.0 . . . A . 5 ALA CA . . A . 5 ALA C . . A . 6 PHE N . . A . 6 PHE CA . 1 . 5 ALA CA . . . 1 . 5 ALA C . . . 1 . 6 PHE N . . . 1 . 6 PHE CA . . c25190_2mtx 1 6 . . 1 1 6 6 PHE CA C . . 1 1 6 6 PHE C C . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . 178.0 180.0 . . . A . 6 PHE CA . . A . 6 PHE C . . A . 7 LEU N . . A . 7 LEU CA . 1 . 6 PHE CA . . . 1 . 6 PHE C . . . 1 . 7 LEU N . . . 1 . 7 LEU CA . . c25190_2mtx 1 7 . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . . 1 1 8 8 PRO N N . . 1 1 8 8 PRO CA C . 178.0 180.0 . . . A . 7 LEU CA . . A . 7 LEU C . . A . 8 PRO N . . A . 8 PRO CA . 1 . 7 LEU CA . . . 1 . 7 LEU C . . . 1 . 8 PRO N . . . 1 . 8 PRO CA . . c25190_2mtx 1 8 . . 1 1 8 8 PRO CA C . . 1 1 8 8 PRO C C . . 1 1 9 9 THR N N . . 1 1 9 9 THR CA C . 178.0 180.0 . . . A . 8 PRO CA . . A . 8 PRO C . . A . 9 THR N . . A . 9 THR CA . 1 . 8 PRO CA . . . 1 . 8 PRO C . . . 1 . 9 THR N . . . 1 . 9 THR CA . . c25190_2mtx 1 9 . . 1 1 9 9 THR CA C . . 1 1 9 9 THR C C . . 1 1 10 10 GLY N N . . 1 1 10 10 GLY CA C . 178.0 180.0 . . . A . 9 THR CA . . A . 9 THR C . . A . 10 GLY N . . A . 10 GLY CA . 1 . 9 THR CA . . . 1 . 9 THR C . . . 1 . 10 GLY N . . . 1 . 10 GLY CA . . c25190_2mtx 1 10 . . 1 1 10 10 GLY CA C . . 1 1 10 10 GLY C C . . 1 1 11 11 ALA N N . . 1 1 11 11 ALA CA C . 178.0 180.0 . . . A . 10 GLY CA . . A . 10 GLY C . . A . 11 ALA N . . A . 11 ALA CA . 1 . 10 GLY CA . . . 1 . 10 GLY C . . . 1 . 11 ALA N . . . 1 . 11 ALA CA . . c25190_2mtx 1 11 . . 1 1 11 11 ALA CA C . . 1 1 11 11 ALA C C . . 1 1 12 12 PHE N N . . 1 1 12 12 PHE CA C . 178.0 180.0 . . . A . 11 ALA CA . . A . 11 ALA C . . A . 12 PHE N . . A . 12 PHE CA . 1 . 11 ALA CA . . . 1 . 11 ALA C . . . 1 . 12 PHE N . . . 1 . 12 PHE CA . . c25190_2mtx 1 12 . . 1 1 12 12 PHE CA C . . 1 1 12 12 PHE C C . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . 178.0 180.0 . . . A . 12 PHE CA . . A . 12 PHE C . . A . 13 LYS N . . A . 13 LYS CA . 1 . 12 PHE CA . . . 1 . 12 PHE C . . . 1 . 13 LYS N . . . 1 . 13 LYS CA . . c25190_2mtx 1 13 . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . . 1 1 14 14 ALA N N . . 1 1 14 14 ALA CA C . 178.0 180.0 . . . A . 13 LYS CA . . A . 13 LYS C . . A . 14 ALA N . . A . 14 ALA CA . 1 . 13 LYS CA . . . 1 . 13 LYS C . . . 1 . 14 ALA N . . . 1 . 14 ALA CA . . c25190_2mtx 1 14 . . 1 1 14 14 ALA CA C . . 1 1 14 14 ALA C C . . 1 1 15 15 ASP N N . . 1 1 15 15 ASP CA C . 178.0 180.0 . . . A . 14 ALA CA . . A . 14 ALA C . . A . 15 ASP N . . A . 15 ASP CA . 1 . 14 ALA CA . . . 1 . 14 ALA C . . . 1 . 15 ASP N . . . 1 . 15 ASP CA . . c25190_2mtx 1 15 . . 1 1 15 15 ASP CA C . . 1 1 15 15 ASP C C . . 1 1 16 16 ARG N N . . 1 1 16 16 ARG CA C . 178.0 180.0 . . . A . 15 ASP CA . . A . 15 ASP C . . A . 16 ARG N . . A . 16 ARG CA . 1 . 15 ASP CA . . . 1 . 15 ASP C . . . 1 . 16 ARG N . . . 1 . 16 ARG CA . . c25190_2mtx 1 16 . . 1 1 16 16 ARG CA C . . 1 1 16 16 ARG C C . . 1 1 17 17 TYR N N . . 1 1 17 17 TYR CA C . 178.0 180.0 . . . A . 16 ARG CA . . A . 16 ARG C . . A . 17 TYR N . . A . 17 TYR CA . 1 . 16 ARG CA . . . 1 . 16 ARG C . . . 1 . 17 TYR N . . . 1 . 17 TYR CA . . c25190_2mtx 1 17 . . 1 1 17 17 TYR CA C . . 1 1 17 17 TYR C C . . 1 1 18 18 LYS N N . . 1 1 18 18 LYS CA C . 178.0 180.0 . . . A . 17 TYR CA . . A . 17 TYR C . . A . 18 LYS N . . A . 18 LYS CA . 1 . 17 TYR CA . . . 1 . 17 TYR C . . . 1 . 18 LYS N . . . 1 . 18 LYS CA . . c25190_2mtx 1 18 . . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS C C . . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . 178.0 180.0 . . . A . 18 LYS CA . . A . 18 LYS C . . A . 19 SER N . . A . 19 SER CA . 1 . 18 LYS CA . . . 1 . 18 LYS C . . . 1 . 19 SER N . . . 1 . 19 SER CA . . c25190_2mtx 1 19 . . 1 1 19 19 SER CA C . . 1 1 19 19 SER C C . . 1 1 20 20 HIS N N . . 1 1 20 20 HIS CA C . 178.0 180.0 . . . A . 19 SER CA . . A . 19 SER C . . A . 20 HIS N . . A . 20 HIS CA . 1 . 19 SER CA . . . 1 . 19 SER C . . . 1 . 20 HIS N . . . 1 . 20 HIS CA . . c25190_2mtx 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 NMR_dihedral 1 1 1 13 c25190_2mtx 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 c25190_2mtx _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 PROTEIN BINDING 01-SEP-14 2MTX *TITLE PROTECTION AGAINST EXPERIMENTAL P. FALCIPARUM MALARIA IS ASSOCIATED *TITLE 2 WITH SHORT AMA-1 PEPTIDE ANALOGUE ALPHA-HELICAL STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: APICAL MEMBRANE ANTIGEN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 374-393; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS DOMAIN II OF AMA-1, PROTEIN BINDING *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR M.CUBILLOS, L.SALAZAR, L.TORRES, M.SANDOVAL, M.PATARROYO *REVDAT 1 04-FEB-15 2MTX 0' save_