data_34602 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34602 _Entry.Title ; NMR structure of Rv1813c from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-11 _Entry.Accession_date 2021-02-11 _Entry.Last_release_date 2021-03-23 _Entry.Original_release_date 2021-03-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 P. Barthe P. . . . 34602 2 M. Cohen-Gonsaud M. . . . 34602 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOPTOSIS . 34602 effector . 34602 metabolism . 34602 mitochondria . 34602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 34602 '15N chemical shifts' 124 34602 '1H chemical shifts' 755 34602 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 2 . . 2023-12-15 2021-02-11 update BMRB 'update entry citation' 34602 1 . . 2021-03-26 2021-02-11 original author 'original release' 34602 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NHZ 'BMRB Entry Tracking System' 34602 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34602 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37036353 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Mycobacterium tuberculosis Effector Targets Mitochondrion, Controls Energy Metabolism, and Limits Cytochrome c Exit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Microbiol. Spectr.' _Citation.Journal_name_full 'Microbiology spectrum' _Citation.Journal_volume 11 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2165-0497 _Citation.Journal_CSD 0353 _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 e0106623 _Citation.Page_last e0106623 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marianne Martin M. . . . 34602 1 2 Angelique deVisch A. . . . 34602 1 3 Yves-Marie Boudehen Y. M. . . 34602 1 4 Philippe Barthe P. . . . 34602 1 5 Claude Gutierrez C. . . . 34602 1 6 Obolbek Turapov O. . . . 34602 1 7 Talip Aydogan T. . . . 34602 1 8 Laurene Heriaud L. . . . 34602 1 9 Jerome Gracy J. . . . 34602 1 10 Olivier Neyrolles O. . . . 34602 1 11 Galina Mukamolova G. V. . . 34602 1 12 Francois Letourneur F. . . . 34602 1 13 Martin Cohen-Gonsaud M. . . . 34602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34602 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein Rv1813c' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34602 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 66 66 SG . 1 . 1 CYS 71 71 SG . . . . . . . . . . . . 34602 1 2 disulfide single . 1 . 1 CYS 80 80 SG . 1 . 1 CYS 119 119 SG . . . . . . . . . . . . 34602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34602 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMPTVDAHLANGSMSEVM MSEIAGLPIPPIIHYGAIAY APSGASGKAWHQRTPARAEQ VALEKCGDKTCKVVSRFTRC GAVAYNGSKYQGGTGLTRRA AEDDAVNRLEGGRIVNWACN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12714.432 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -3 GLY . 34602 1 2 -2 PRO . 34602 1 3 -1 HIS . 34602 1 4 0 MET . 34602 1 5 1 PRO . 34602 1 6 2 THR . 34602 1 7 3 VAL . 34602 1 8 4 ASP . 34602 1 9 5 ALA . 34602 1 10 6 HIS . 34602 1 11 7 LEU . 34602 1 12 8 ALA . 34602 1 13 9 ASN . 34602 1 14 10 GLY . 34602 1 15 11 SER . 34602 1 16 12 MET . 34602 1 17 13 SER . 34602 1 18 14 GLU . 34602 1 19 15 VAL . 34602 1 20 16 MET . 34602 1 21 17 MET . 34602 1 22 18 SER . 34602 1 23 19 GLU . 34602 1 24 20 ILE . 34602 1 25 21 ALA . 34602 1 26 22 GLY . 34602 1 27 23 LEU . 34602 1 28 24 PRO . 34602 1 29 25 ILE . 34602 1 30 26 PRO . 34602 1 31 27 PRO . 34602 1 32 28 ILE . 34602 1 33 29 ILE . 34602 1 34 30 HIS . 34602 1 35 31 TYR . 34602 1 36 32 GLY . 34602 1 37 33 ALA . 34602 1 38 34 ILE . 34602 1 39 35 ALA . 34602 1 40 36 TYR . 34602 1 41 37 ALA . 34602 1 42 38 PRO . 34602 1 43 39 SER . 34602 1 44 40 GLY . 34602 1 45 41 ALA . 34602 1 46 42 SER . 34602 1 47 43 GLY . 34602 1 48 44 LYS . 34602 1 49 45 ALA . 34602 1 50 46 TRP . 34602 1 51 47 HIS . 34602 1 52 48 GLN . 34602 1 53 49 ARG . 34602 1 54 50 THR . 34602 1 55 51 PRO . 34602 1 56 52 ALA . 34602 1 57 53 ARG . 34602 1 58 54 ALA . 34602 1 59 55 GLU . 34602 1 60 56 GLN . 34602 1 61 57 VAL . 34602 1 62 58 ALA . 34602 1 63 59 LEU . 34602 1 64 60 GLU . 34602 1 65 61 LYS . 34602 1 66 62 CYS . 34602 1 67 63 GLY . 34602 1 68 64 ASP . 34602 1 69 65 LYS . 34602 1 70 66 THR . 34602 1 71 67 CYS . 34602 1 72 68 LYS . 34602 1 73 69 VAL . 34602 1 74 70 VAL . 34602 1 75 71 SER . 34602 1 76 72 ARG . 34602 1 77 73 PHE . 34602 1 78 74 THR . 34602 1 79 75 ARG . 34602 1 80 76 CYS . 34602 1 81 77 GLY . 34602 1 82 78 ALA . 34602 1 83 79 VAL . 34602 1 84 80 ALA . 34602 1 85 81 TYR . 34602 1 86 82 ASN . 34602 1 87 83 GLY . 34602 1 88 84 SER . 34602 1 89 85 LYS . 34602 1 90 86 TYR . 34602 1 91 87 GLN . 34602 1 92 88 GLY . 34602 1 93 89 GLY . 34602 1 94 90 THR . 34602 1 95 91 GLY . 34602 1 96 92 LEU . 34602 1 97 93 THR . 34602 1 98 94 ARG . 34602 1 99 95 ARG . 34602 1 100 96 ALA . 34602 1 101 97 ALA . 34602 1 102 98 GLU . 34602 1 103 99 ASP . 34602 1 104 100 ASP . 34602 1 105 101 ALA . 34602 1 106 102 VAL . 34602 1 107 103 ASN . 34602 1 108 104 ARG . 34602 1 109 105 LEU . 34602 1 110 106 GLU . 34602 1 111 107 GLY . 34602 1 112 108 GLY . 34602 1 113 109 ARG . 34602 1 114 110 ILE . 34602 1 115 111 VAL . 34602 1 116 112 ASN . 34602 1 117 113 TRP . 34602 1 118 114 ALA . 34602 1 119 115 CYS . 34602 1 120 116 ASN . 34602 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 . GLY 1 1 34602 1 . PRO 2 2 34602 1 . HIS 3 3 34602 1 . MET 4 4 34602 1 . PRO 5 5 34602 1 . THR 6 6 34602 1 . VAL 7 7 34602 1 . ASP 8 8 34602 1 . ALA 9 9 34602 1 . HIS 10 10 34602 1 . LEU 11 11 34602 1 . ALA 12 12 34602 1 . ASN 13 13 34602 1 . GLY 14 14 34602 1 . SER 15 15 34602 1 . MET 16 16 34602 1 . SER 17 17 34602 1 . GLU 18 18 34602 1 . VAL 19 19 34602 1 . MET 20 20 34602 1 . MET 21 21 34602 1 . SER 22 22 34602 1 . GLU 23 23 34602 1 . ILE 24 24 34602 1 . ALA 25 25 34602 1 . GLY 26 26 34602 1 . LEU 27 27 34602 1 . PRO 28 28 34602 1 . ILE 29 29 34602 1 . PRO 30 30 34602 1 . PRO 31 31 34602 1 . ILE 32 32 34602 1 . ILE 33 33 34602 1 . HIS 34 34 34602 1 . TYR 35 35 34602 1 . GLY 36 36 34602 1 . ALA 37 37 34602 1 . ILE 38 38 34602 1 . ALA 39 39 34602 1 . TYR 40 40 34602 1 . ALA 41 41 34602 1 . PRO 42 42 34602 1 . SER 43 43 34602 1 . GLY 44 44 34602 1 . ALA 45 45 34602 1 . SER 46 46 34602 1 . GLY 47 47 34602 1 . LYS 48 48 34602 1 . ALA 49 49 34602 1 . TRP 50 50 34602 1 . HIS 51 51 34602 1 . GLN 52 52 34602 1 . ARG 53 53 34602 1 . THR 54 54 34602 1 . PRO 55 55 34602 1 . ALA 56 56 34602 1 . ARG 57 57 34602 1 . ALA 58 58 34602 1 . GLU 59 59 34602 1 . GLN 60 60 34602 1 . VAL 61 61 34602 1 . ALA 62 62 34602 1 . LEU 63 63 34602 1 . GLU 64 64 34602 1 . LYS 65 65 34602 1 . CYS 66 66 34602 1 . GLY 67 67 34602 1 . ASP 68 68 34602 1 . LYS 69 69 34602 1 . THR 70 70 34602 1 . CYS 71 71 34602 1 . LYS 72 72 34602 1 . VAL 73 73 34602 1 . VAL 74 74 34602 1 . SER 75 75 34602 1 . ARG 76 76 34602 1 . PHE 77 77 34602 1 . THR 78 78 34602 1 . ARG 79 79 34602 1 . CYS 80 80 34602 1 . GLY 81 81 34602 1 . ALA 82 82 34602 1 . VAL 83 83 34602 1 . ALA 84 84 34602 1 . TYR 85 85 34602 1 . ASN 86 86 34602 1 . GLY 87 87 34602 1 . SER 88 88 34602 1 . LYS 89 89 34602 1 . TYR 90 90 34602 1 . GLN 91 91 34602 1 . GLY 92 92 34602 1 . GLY 93 93 34602 1 . THR 94 94 34602 1 . GLY 95 95 34602 1 . LEU 96 96 34602 1 . THR 97 97 34602 1 . ARG 98 98 34602 1 . ARG 99 99 34602 1 . ALA 100 100 34602 1 . ALA 101 101 34602 1 . GLU 102 102 34602 1 . ASP 103 103 34602 1 . ASP 104 104 34602 1 . ALA 105 105 34602 1 . VAL 106 106 34602 1 . ASN 107 107 34602 1 . ARG 108 108 34602 1 . LEU 109 109 34602 1 . GLU 110 110 34602 1 . GLY 111 111 34602 1 . GLY 112 112 34602 1 . ARG 113 113 34602 1 . ILE 114 114 34602 1 . VAL 115 115 34602 1 . ASN 116 116 34602 1 . TRP 117 117 34602 1 . ALA 118 118 34602 1 . CYS 119 119 34602 1 . ASN 120 120 34602 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 34602 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 83332 . . 'Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis 'ATCC 25618 / H37Rv' . . . . . . . . . . 'Rv1813c, MTCY1A11.30, MTY16F9.01' . 34602 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 34602 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34602 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-15N] Rv1813c, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1813c [U-15N] . . 1 $entity_1 . . 1.0 . . mM . . . . 34602 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34602 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-13C; U-15N] Rv1813c, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1813c '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 34602 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34602 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM Rv1813c, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1813c 'natural abundance' . . 1 $entity_1 . . 0.8 . . mM . . . . 34602 3 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 34602 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 150 . mM 34602 1 pH 5.6 . pH 34602 1 pressure 1 . atm 34602 1 temperature 293 . K 34602 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34602 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34602 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34602 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34602 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34602 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34602 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34602 _Software.ID 3 _Software.Type . _Software.Name CINDY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Padilla . . 34602 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34602 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34602 _Software.ID 4 _Software.Type . _Software.Name Gifa _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delsuc . . 34602 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34602 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34602 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34602 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34602 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 34602 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 3 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 5 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 6 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 7 '3D HNCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 8 '2D NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 9 '2D TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 10 '2D DQF-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34602 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34602 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS protons . . . . ppm 0 na indirect 0.251449530 . . . . . 34602 1 H 1 DSS protons . . . . ppm 0 internal direct 1.0 . . . . . 34602 1 N 15 DSS protons . . . . ppm 0 na indirect 0.101329118 . . . . . 34602 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34602 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34602 1 2 '3D 1H-15N TOCSY' . . . 34602 1 3 '3D HNCA' . . . 34602 1 4 '3D CBCA(CO)NH' . . . 34602 1 5 '3D HNCACB' . . . 34602 1 6 '3D HNCO' . . . 34602 1 7 '3D HNCACO' . . . 34602 1 8 '2D NOESY' . . . 34602 1 9 '2D TOCSY' . . . 34602 1 10 '2D DQF-COSY' . . . 34602 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5 5 PRO HA H 1 4.500 0.000 . . . . . . A 1 PRO HA . 34602 1 2 . 1 . 1 5 5 PRO HB2 H 1 2.315 0.000 . . . . . . A 1 PRO HB2 . 34602 1 3 . 1 . 1 5 5 PRO HB3 H 1 1.932 0.000 . . . . . . A 1 PRO HB3 . 34602 1 4 . 1 . 1 5 5 PRO HG2 H 1 2.064 0.000 . . . . . . A 1 PRO HG2 . 34602 1 5 . 1 . 1 5 5 PRO HG3 H 1 2.038 0.000 . . . . . . A 1 PRO HG3 . 34602 1 6 . 1 . 1 5 5 PRO HD2 H 1 3.794 0.000 . . . . . . A 1 PRO HD2 . 34602 1 7 . 1 . 1 5 5 PRO HD3 H 1 3.693 0.000 . . . . . . A 1 PRO HD3 . 34602 1 8 . 1 . 1 5 5 PRO C C 13 176.920 0.000 . . . . . . A 1 PRO C . 34602 1 9 . 1 . 1 5 5 PRO CA C 13 63.410 0.000 . . . . . . A 1 PRO CA . 34602 1 10 . 1 . 1 5 5 PRO CB C 13 31.970 0.000 . . . . . . A 1 PRO CB . 34602 1 11 . 1 . 1 6 6 THR H H 1 8.320 0.000 . . . . . . A 2 THR H . 34602 1 12 . 1 . 1 6 6 THR HA H 1 4.330 0.000 . . . . . . A 2 THR HA . 34602 1 13 . 1 . 1 6 6 THR HB H 1 4.201 0.000 . . . . . . A 2 THR HB . 34602 1 14 . 1 . 1 6 6 THR HG21 H 1 1.218 0.000 . . . . . . A 2 THR HG21 . 34602 1 15 . 1 . 1 6 6 THR HG22 H 1 1.218 0.000 . . . . . . A 2 THR HG22 . 34602 1 16 . 1 . 1 6 6 THR HG23 H 1 1.218 0.000 . . . . . . A 2 THR HG23 . 34602 1 17 . 1 . 1 6 6 THR C C 13 174.740 0.000 . . . . . . A 2 THR C . 34602 1 18 . 1 . 1 6 6 THR CA C 13 62.180 0.000 . . . . . . A 2 THR CA . 34602 1 19 . 1 . 1 6 6 THR CB C 13 69.890 0.000 . . . . . . A 2 THR CB . 34602 1 20 . 1 . 1 6 6 THR N N 15 115.240 0.000 . . . . . . A 2 THR N . 34602 1 21 . 1 . 1 7 7 VAL H H 1 8.206 0.000 . . . . . . A 3 VAL H . 34602 1 22 . 1 . 1 7 7 VAL HA H 1 4.133 0.000 . . . . . . A 3 VAL HA . 34602 1 23 . 1 . 1 7 7 VAL HB H 1 2.060 0.000 . . . . . . A 3 VAL HB . 34602 1 24 . 1 . 1 7 7 VAL HG11 H 1 0.951 0.000 . . . . . . A 3 VAL HG11 . 34602 1 25 . 1 . 1 7 7 VAL HG12 H 1 0.951 0.000 . . . . . . A 3 VAL HG12 . 34602 1 26 . 1 . 1 7 7 VAL HG13 H 1 0.951 0.000 . . . . . . A 3 VAL HG13 . 34602 1 27 . 1 . 1 7 7 VAL HG21 H 1 0.900 0.000 . . . . . . A 3 VAL HG21 . 34602 1 28 . 1 . 1 7 7 VAL HG22 H 1 0.900 0.000 . . . . . . A 3 VAL HG22 . 34602 1 29 . 1 . 1 7 7 VAL HG23 H 1 0.900 0.000 . . . . . . A 3 VAL HG23 . 34602 1 30 . 1 . 1 7 7 VAL C C 13 175.670 0.000 . . . . . . A 3 VAL C . 34602 1 31 . 1 . 1 7 7 VAL CA C 13 62.440 0.000 . . . . . . A 3 VAL CA . 34602 1 32 . 1 . 1 7 7 VAL CB C 13 32.780 0.000 . . . . . . A 3 VAL CB . 34602 1 33 . 1 . 1 7 7 VAL N N 15 122.530 0.000 . . . . . . A 3 VAL N . 34602 1 34 . 1 . 1 8 8 ASP H H 1 8.393 0.000 . . . . . . A 4 ASP H . 34602 1 35 . 1 . 1 8 8 ASP HA H 1 4.570 0.000 . . . . . . A 4 ASP HA . 34602 1 36 . 1 . 1 8 8 ASP HB2 H 1 2.713 0.000 . . . . . . A 4 ASP HB2 . 34602 1 37 . 1 . 1 8 8 ASP HB3 H 1 2.594 0.000 . . . . . . A 4 ASP HB3 . 34602 1 38 . 1 . 1 8 8 ASP C C 13 176.210 0.000 . . . . . . A 4 ASP C . 34602 1 39 . 1 . 1 8 8 ASP CA C 13 54.360 0.000 . . . . . . A 4 ASP CA . 34602 1 40 . 1 . 1 8 8 ASP CB C 13 41.300 0.000 . . . . . . A 4 ASP CB . 34602 1 41 . 1 . 1 8 8 ASP N N 15 124.400 0.000 . . . . . . A 4 ASP N . 34602 1 42 . 1 . 1 9 9 ALA H H 1 8.349 0.000 . . . . . . A 5 ALA H . 34602 1 43 . 1 . 1 9 9 ALA HA H 1 4.218 0.000 . . . . . . A 5 ALA HA . 34602 1 44 . 1 . 1 9 9 ALA HB1 H 1 1.340 0.000 . . . . . . A 5 ALA HB1 . 34602 1 45 . 1 . 1 9 9 ALA HB2 H 1 1.340 0.000 . . . . . . A 5 ALA HB2 . 34602 1 46 . 1 . 1 9 9 ALA HB3 H 1 1.340 0.000 . . . . . . A 5 ALA HB3 . 34602 1 47 . 1 . 1 9 9 ALA C C 13 177.930 0.000 . . . . . . A 5 ALA C . 34602 1 48 . 1 . 1 9 9 ALA CA C 13 53.150 0.000 . . . . . . A 5 ALA CA . 34602 1 49 . 1 . 1 9 9 ALA CB C 13 18.820 0.000 . . . . . . A 5 ALA CB . 34602 1 50 . 1 . 1 9 9 ALA N N 15 125.590 0.000 . . . . . . A 5 ALA N . 34602 1 51 . 1 . 1 10 10 HIS H H 1 8.517 0.000 . . . . . . A 6 HIS H . 34602 1 52 . 1 . 1 10 10 HIS HA H 1 4.597 0.000 . . . . . . A 6 HIS HA . 34602 1 53 . 1 . 1 10 10 HIS HB2 H 1 3.257 0.000 . . . . . . A 6 HIS HB2 . 34602 1 54 . 1 . 1 10 10 HIS HB3 H 1 3.193 0.000 . . . . . . A 6 HIS HB3 . 34602 1 55 . 1 . 1 10 10 HIS HD2 H 1 7.160 0.000 . . . . . . A 6 HIS HD2 . 34602 1 56 . 1 . 1 10 10 HIS HE1 H 1 8.342 0.000 . . . . . . A 6 HIS HE1 . 34602 1 57 . 1 . 1 10 10 HIS C C 13 174.980 0.000 . . . . . . A 6 HIS C . 34602 1 58 . 1 . 1 10 10 HIS CA C 13 56.290 0.000 . . . . . . A 6 HIS CA . 34602 1 59 . 1 . 1 10 10 HIS CB C 13 28.520 0.000 . . . . . . A 6 HIS CB . 34602 1 60 . 1 . 1 10 10 HIS N N 15 116.900 0.000 . . . . . . A 6 HIS N . 34602 1 61 . 1 . 1 11 11 LEU H H 1 8.051 0.000 . . . . . . A 7 LEU H . 34602 1 62 . 1 . 1 11 11 LEU HA H 1 4.302 0.000 . . . . . . A 7 LEU HA . 34602 1 63 . 1 . 1 11 11 LEU HB2 H 1 1.644 0.000 . . . . . . A 7 LEU HB2 . 34602 1 64 . 1 . 1 11 11 LEU HB3 H 1 1.556 0.000 . . . . . . A 7 LEU HB3 . 34602 1 65 . 1 . 1 11 11 LEU HG H 1 1.498 0.000 . . . . . . A 7 LEU HG . 34602 1 66 . 1 . 1 11 11 LEU HD11 H 1 0.923 0.000 . . . . . . A 7 LEU HD11 . 34602 1 67 . 1 . 1 11 11 LEU HD12 H 1 0.923 0.000 . . . . . . A 7 LEU HD12 . 34602 1 68 . 1 . 1 11 11 LEU HD13 H 1 0.923 0.000 . . . . . . A 7 LEU HD13 . 34602 1 69 . 1 . 1 11 11 LEU HD21 H 1 0.859 0.000 . . . . . . A 7 LEU HD21 . 34602 1 70 . 1 . 1 11 11 LEU HD22 H 1 0.859 0.000 . . . . . . A 7 LEU HD22 . 34602 1 71 . 1 . 1 11 11 LEU HD23 H 1 0.859 0.000 . . . . . . A 7 LEU HD23 . 34602 1 72 . 1 . 1 11 11 LEU C C 13 177.400 0.000 . . . . . . A 7 LEU C . 34602 1 73 . 1 . 1 11 11 LEU CA C 13 55.260 0.000 . . . . . . A 7 LEU CA . 34602 1 74 . 1 . 1 11 11 LEU CB C 13 42.550 0.000 . . . . . . A 7 LEU CB . 34602 1 75 . 1 . 1 11 11 LEU N N 15 122.300 0.000 . . . . . . A 7 LEU N . 34602 1 76 . 1 . 1 12 12 ALA H H 1 8.260 0.000 . . . . . . A 8 ALA H . 34602 1 77 . 1 . 1 12 12 ALA HA H 1 4.292 0.000 . . . . . . A 8 ALA HA . 34602 1 78 . 1 . 1 12 12 ALA HB1 H 1 1.390 0.000 . . . . . . A 8 ALA HB1 . 34602 1 79 . 1 . 1 12 12 ALA HB2 H 1 1.390 0.000 . . . . . . A 8 ALA HB2 . 34602 1 80 . 1 . 1 12 12 ALA HB3 H 1 1.390 0.000 . . . . . . A 8 ALA HB3 . 34602 1 81 . 1 . 1 12 12 ALA C C 13 177.690 0.000 . . . . . . A 8 ALA C . 34602 1 82 . 1 . 1 12 12 ALA CA C 13 52.860 0.000 . . . . . . A 8 ALA CA . 34602 1 83 . 1 . 1 12 12 ALA CB C 13 18.820 0.000 . . . . . . A 8 ALA CB . 34602 1 84 . 1 . 1 12 12 ALA N N 15 124.520 0.000 . . . . . . A 8 ALA N . 34602 1 85 . 1 . 1 13 13 ASN H H 1 8.346 0.000 . . . . . . A 9 ASN H . 34602 1 86 . 1 . 1 13 13 ASN HA H 1 4.698 0.000 . . . . . . A 9 ASN HA . 34602 1 87 . 1 . 1 13 13 ASN HB2 H 1 2.868 0.000 . . . . . . A 9 ASN HB2 . 34602 1 88 . 1 . 1 13 13 ASN HB3 H 1 2.821 0.000 . . . . . . A 9 ASN HB3 . 34602 1 89 . 1 . 1 13 13 ASN HD21 H 1 7.651 0.000 . . . . . . A 9 ASN HD21 . 34602 1 90 . 1 . 1 13 13 ASN HD22 H 1 6.954 0.000 . . . . . . A 9 ASN HD22 . 34602 1 91 . 1 . 1 13 13 ASN C C 13 175.970 0.000 . . . . . . A 9 ASN C . 34602 1 92 . 1 . 1 13 13 ASN CA C 13 53.450 0.000 . . . . . . A 9 ASN CA . 34602 1 93 . 1 . 1 13 13 ASN CB C 13 38.800 0.000 . . . . . . A 9 ASN CB . 34602 1 94 . 1 . 1 13 13 ASN N N 15 117.620 0.000 . . . . . . A 9 ASN N . 34602 1 95 . 1 . 1 13 13 ASN ND2 N 15 112.900 0.000 . . . . . . A 9 ASN ND2 . 34602 1 96 . 1 . 1 14 14 GLY H H 1 8.365 0.000 . . . . . . A 10 GLY H . 34602 1 97 . 1 . 1 14 14 GLY HA2 H 1 3.978 0.000 . . . . . . A 10 GLY HA2 . 34602 1 98 . 1 . 1 14 14 GLY HA3 H 1 4.022 0.000 . . . . . . A 10 GLY HA3 . 34602 1 99 . 1 . 1 14 14 GLY C C 13 174.450 0.000 . . . . . . A 10 GLY C . 34602 1 100 . 1 . 1 14 14 GLY CA C 13 45.680 0.000 . . . . . . A 10 GLY CA . 34602 1 101 . 1 . 1 14 14 GLY N N 15 109.370 0.000 . . . . . . A 10 GLY N . 34602 1 102 . 1 . 1 15 15 SER H H 1 8.254 0.000 . . . . . . A 11 SER H . 34602 1 103 . 1 . 1 15 15 SER HA H 1 4.472 0.000 . . . . . . A 11 SER HA . 34602 1 104 . 1 . 1 15 15 SER HB2 H 1 3.927 0.000 . . . . . . A 11 SER HB2 . 34602 1 105 . 1 . 1 15 15 SER HB3 H 1 3.886 0.000 . . . . . . A 11 SER HB3 . 34602 1 106 . 1 . 1 15 15 SER C C 13 174.790 0.000 . . . . . . A 11 SER C . 34602 1 107 . 1 . 1 15 15 SER CA C 13 58.830 0.000 . . . . . . A 11 SER CA . 34602 1 108 . 1 . 1 15 15 SER CB C 13 64.160 0.000 . . . . . . A 11 SER CB . 34602 1 109 . 1 . 1 15 15 SER N N 15 115.750 0.000 . . . . . . A 11 SER N . 34602 1 110 . 1 . 1 16 16 MET H H 1 8.463 0.000 . . . . . . A 12 MET H . 34602 1 111 . 1 . 1 16 16 MET HA H 1 4.543 0.000 . . . . . . A 12 MET HA . 34602 1 112 . 1 . 1 16 16 MET HB2 H 1 2.138 0.000 . . . . . . A 12 MET HB2 . 34602 1 113 . 1 . 1 16 16 MET HB3 H 1 2.046 0.000 . . . . . . A 12 MET HB3 . 34602 1 114 . 1 . 1 16 16 MET HG2 H 1 2.625 0.000 . . . . . . A 12 MET HG2 . 34602 1 115 . 1 . 1 16 16 MET HG3 H 1 2.554 0.000 . . . . . . A 12 MET HG3 . 34602 1 116 . 1 . 1 16 16 MET C C 13 176.360 0.000 . . . . . . A 12 MET C . 34602 1 117 . 1 . 1 16 16 MET CA C 13 55.870 0.000 . . . . . . A 12 MET CA . 34602 1 118 . 1 . 1 16 16 MET CB C 13 32.710 0.000 . . . . . . A 12 MET CB . 34602 1 119 . 1 . 1 16 16 MET N N 15 121.980 0.000 . . . . . . A 12 MET N . 34602 1 120 . 1 . 1 17 17 SER H H 1 8.270 0.000 . . . . . . A 13 SER H . 34602 1 121 . 1 . 1 17 17 SER HA H 1 4.434 0.000 . . . . . . A 13 SER HA . 34602 1 122 . 1 . 1 17 17 SER HB2 H 1 3.930 0.000 . . . . . . A 13 SER HB2 . 34602 1 123 . 1 . 1 17 17 SER HB3 H 1 3.866 0.000 . . . . . . A 13 SER HB3 . 34602 1 124 . 1 . 1 17 17 SER C C 13 174.670 0.000 . . . . . . A 13 SER C . 34602 1 125 . 1 . 1 17 17 SER CA C 13 58.960 0.000 . . . . . . A 13 SER CA . 34602 1 126 . 1 . 1 17 17 SER CB C 13 64.160 0.000 . . . . . . A 13 SER CB . 34602 1 127 . 1 . 1 17 17 SER N N 15 116.750 0.000 . . . . . . A 13 SER N . 34602 1 128 . 1 . 1 18 18 GLU H H 1 8.508 0.000 . . . . . . A 14 GLU H . 34602 1 129 . 1 . 1 18 18 GLU HA H 1 4.299 0.000 . . . . . . A 14 GLU HA . 34602 1 130 . 1 . 1 18 18 GLU HB2 H 1 2.090 0.000 . . . . . . A 14 GLU HB2 . 34602 1 131 . 1 . 1 18 18 GLU HB3 H 1 1.986 0.000 . . . . . . A 14 GLU HB3 . 34602 1 132 . 1 . 1 18 18 GLU HG2 H 1 2.310 0.000 . . . . . . A 14 GLU HG2 . 34602 1 133 . 1 . 1 18 18 GLU HG3 H 1 2.260 0.000 . . . . . . A 14 GLU HG3 . 34602 1 134 . 1 . 1 18 18 GLU C C 13 176.930 0.000 . . . . . . A 14 GLU C . 34602 1 135 . 1 . 1 18 18 GLU CA C 13 57.370 0.000 . . . . . . A 14 GLU CA . 34602 1 136 . 1 . 1 18 18 GLU CB C 13 29.990 0.000 . . . . . . A 14 GLU CB . 34602 1 137 . 1 . 1 18 18 GLU N N 15 122.810 0.000 . . . . . . A 14 GLU N . 34602 1 138 . 1 . 1 19 19 VAL H H 1 8.083 0.000 . . . . . . A 15 VAL H . 34602 1 139 . 1 . 1 19 19 VAL HA H 1 4.069 0.000 . . . . . . A 15 VAL HA . 34602 1 140 . 1 . 1 19 19 VAL HB H 1 2.077 0.000 . . . . . . A 15 VAL HB . 34602 1 141 . 1 . 1 19 19 VAL HG11 H 1 0.981 0.000 . . . . . . A 15 VAL HG11 . 34602 1 142 . 1 . 1 19 19 VAL HG12 H 1 0.981 0.000 . . . . . . A 15 VAL HG12 . 34602 1 143 . 1 . 1 19 19 VAL HG13 H 1 0.981 0.000 . . . . . . A 15 VAL HG13 . 34602 1 144 . 1 . 1 19 19 VAL HG21 H 1 0.930 0.000 . . . . . . A 15 VAL HG21 . 34602 1 145 . 1 . 1 19 19 VAL HG22 H 1 0.930 0.000 . . . . . . A 15 VAL HG22 . 34602 1 146 . 1 . 1 19 19 VAL HG23 H 1 0.930 0.000 . . . . . . A 15 VAL HG23 . 34602 1 147 . 1 . 1 19 19 VAL C C 13 176.550 0.000 . . . . . . A 15 VAL C . 34602 1 148 . 1 . 1 19 19 VAL CA C 13 63.220 0.000 . . . . . . A 15 VAL CA . 34602 1 149 . 1 . 1 19 19 VAL CB C 13 32.780 0.000 . . . . . . A 15 VAL CB . 34602 1 150 . 1 . 1 19 19 VAL N N 15 120.390 0.000 . . . . . . A 15 VAL N . 34602 1 151 . 1 . 1 20 20 MET H H 1 8.336 0.000 . . . . . . A 16 MET H . 34602 1 152 . 1 . 1 20 20 MET HA H 1 4.485 0.000 . . . . . . A 16 MET HA . 34602 1 153 . 1 . 1 20 20 MET HB2 H 1 2.101 0.000 . . . . . . A 16 MET HB2 . 34602 1 154 . 1 . 1 20 20 MET HB3 H 1 2.053 0.000 . . . . . . A 16 MET HB3 . 34602 1 155 . 1 . 1 20 20 MET HG2 H 1 2.625 0.000 . . . . . . A 16 MET HG2 . 34602 1 156 . 1 . 1 20 20 MET HG3 H 1 2.561 0.000 . . . . . . A 16 MET HG3 . 34602 1 157 . 1 . 1 20 20 MET C C 13 176.570 0.000 . . . . . . A 16 MET C . 34602 1 158 . 1 . 1 20 20 MET CA C 13 55.990 0.000 . . . . . . A 16 MET CA . 34602 1 159 . 1 . 1 20 20 MET CB C 13 32.490 0.000 . . . . . . A 16 MET CB . 34602 1 160 . 1 . 1 20 20 MET N N 15 123.490 0.000 . . . . . . A 16 MET N . 34602 1 161 . 1 . 1 21 21 MET H H 1 8.406 0.000 . . . . . . A 17 MET H . 34602 1 162 . 1 . 1 21 21 MET HA H 1 4.482 0.000 . . . . . . A 17 MET HA . 34602 1 163 . 1 . 1 21 21 MET HB2 H 1 2.117 0.000 . . . . . . A 17 MET HB2 . 34602 1 164 . 1 . 1 21 21 MET HB3 H 1 2.063 0.000 . . . . . . A 17 MET HB3 . 34602 1 165 . 1 . 1 21 21 MET HG2 H 1 2.642 0.000 . . . . . . A 17 MET HG2 . 34602 1 166 . 1 . 1 21 21 MET HG3 H 1 2.580 0.000 . . . . . . A 17 MET HG3 . 34602 1 167 . 1 . 1 21 21 MET C C 13 176.540 0.000 . . . . . . A 17 MET C . 34602 1 168 . 1 . 1 21 21 MET CA C 13 56.290 0.000 . . . . . . A 17 MET CA . 34602 1 169 . 1 . 1 21 21 MET CB C 13 32.710 0.000 . . . . . . A 17 MET CB . 34602 1 170 . 1 . 1 21 21 MET N N 15 121.540 0.000 . . . . . . A 17 MET N . 34602 1 171 . 1 . 1 22 22 SER H H 1 8.275 0.000 . . . . . . A 18 SER H . 34602 1 172 . 1 . 1 22 22 SER HA H 1 4.431 0.000 . . . . . . A 18 SER HA . 34602 1 173 . 1 . 1 22 22 SER HB2 H 1 3.929 0.000 . . . . . . A 18 SER HB2 . 34602 1 174 . 1 . 1 22 22 SER HB3 H 1 3.870 0.000 . . . . . . A 18 SER HB3 . 34602 1 175 . 1 . 1 22 22 SER C C 13 174.690 0.000 . . . . . . A 18 SER C . 34602 1 176 . 1 . 1 22 22 SER CA C 13 59.080 0.000 . . . . . . A 18 SER CA . 34602 1 177 . 1 . 1 22 22 SER CB C 13 64.080 0.000 . . . . . . A 18 SER CB . 34602 1 178 . 1 . 1 22 22 SER N N 15 116.490 0.000 . . . . . . A 18 SER N . 34602 1 179 . 1 . 1 23 23 GLU H H 1 8.397 0.000 . . . . . . A 19 GLU H . 34602 1 180 . 1 . 1 23 23 GLU HA H 1 4.333 0.000 . . . . . . A 19 GLU HA . 34602 1 181 . 1 . 1 23 23 GLU HB2 H 1 2.094 0.000 . . . . . . A 19 GLU HB2 . 34602 1 182 . 1 . 1 23 23 GLU HB3 H 1 2.002 0.000 . . . . . . A 19 GLU HB3 . 34602 1 183 . 1 . 1 23 23 GLU HG2 H 1 2.307 0.000 . . . . . . A 19 GLU HG2 . 34602 1 184 . 1 . 1 23 23 GLU HG3 H 1 2.232 0.000 . . . . . . A 19 GLU HG3 . 34602 1 185 . 1 . 1 23 23 GLU C C 13 176.710 0.000 . . . . . . A 19 GLU C . 34602 1 186 . 1 . 1 23 23 GLU CA C 13 57.160 0.000 . . . . . . A 19 GLU CA . 34602 1 187 . 1 . 1 23 23 GLU CB C 13 29.990 0.000 . . . . . . A 19 GLU CB . 34602 1 188 . 1 . 1 23 23 GLU N N 15 122.530 0.000 . . . . . . A 19 GLU N . 34602 1 189 . 1 . 1 24 24 ILE H H 1 8.051 0.000 . . . . . . A 20 ILE H . 34602 1 190 . 1 . 1 24 24 ILE HA H 1 4.161 0.000 . . . . . . A 20 ILE HA . 34602 1 191 . 1 . 1 24 24 ILE HB H 1 1.895 0.000 . . . . . . A 20 ILE HB . 34602 1 192 . 1 . 1 24 24 ILE HG12 H 1 1.205 0.000 . . . . . . A 20 ILE HG12 . 34602 1 193 . 1 . 1 24 24 ILE HG13 H 1 1.505 0.000 . . . . . . A 20 ILE HG13 . 34602 1 194 . 1 . 1 24 24 ILE HG21 H 1 0.915 0.000 . . . . . . A 20 ILE HG21 . 34602 1 195 . 1 . 1 24 24 ILE HG22 H 1 0.915 0.000 . . . . . . A 20 ILE HG22 . 34602 1 196 . 1 . 1 24 24 ILE HG23 H 1 0.915 0.000 . . . . . . A 20 ILE HG23 . 34602 1 197 . 1 . 1 24 24 ILE HD11 H 1 0.862 0.000 . . . . . . A 20 ILE HD11 . 34602 1 198 . 1 . 1 24 24 ILE HD12 H 1 0.862 0.000 . . . . . . A 20 ILE HD12 . 34602 1 199 . 1 . 1 24 24 ILE HD13 H 1 0.862 0.000 . . . . . . A 20 ILE HD13 . 34602 1 200 . 1 . 1 24 24 ILE C C 13 176.170 0.000 . . . . . . A 20 ILE C . 34602 1 201 . 1 . 1 24 24 ILE CA C 13 61.590 0.000 . . . . . . A 20 ILE CA . 34602 1 202 . 1 . 1 24 24 ILE CB C 13 38.950 0.000 . . . . . . A 20 ILE CB . 34602 1 203 . 1 . 1 24 24 ILE N N 15 120.370 0.000 . . . . . . A 20 ILE N . 34602 1 204 . 1 . 1 25 25 ALA H H 1 8.292 0.000 . . . . . . A 21 ALA H . 34602 1 205 . 1 . 1 25 25 ALA HA H 1 4.337 0.000 . . . . . . A 21 ALA HA . 34602 1 206 . 1 . 1 25 25 ALA HB1 H 1 1.431 0.000 . . . . . . A 21 ALA HB1 . 34602 1 207 . 1 . 1 25 25 ALA HB2 H 1 1.431 0.000 . . . . . . A 21 ALA HB2 . 34602 1 208 . 1 . 1 25 25 ALA HB3 H 1 1.431 0.000 . . . . . . A 21 ALA HB3 . 34602 1 209 . 1 . 1 25 25 ALA C C 13 177.970 0.000 . . . . . . A 21 ALA C . 34602 1 210 . 1 . 1 25 25 ALA CA C 13 52.900 0.000 . . . . . . A 21 ALA CA . 34602 1 211 . 1 . 1 25 25 ALA CB C 13 19.040 0.000 . . . . . . A 21 ALA CB . 34602 1 212 . 1 . 1 25 25 ALA N N 15 127.280 0.000 . . . . . . A 21 ALA N . 34602 1 213 . 1 . 1 26 26 GLY H H 1 8.274 0.000 . . . . . . A 22 GLY H . 34602 1 214 . 1 . 1 26 26 GLY HA2 H 1 3.898 0.000 . . . . . . A 22 GLY HA2 . 34602 1 215 . 1 . 1 26 26 GLY HA3 H 1 3.975 0.000 . . . . . . A 22 GLY HA3 . 34602 1 216 . 1 . 1 26 26 GLY C C 13 173.840 0.000 . . . . . . A 22 GLY C . 34602 1 217 . 1 . 1 26 26 GLY CA C 13 45.180 0.000 . . . . . . A 22 GLY CA . 34602 1 218 . 1 . 1 26 26 GLY N N 15 107.670 0.000 . . . . . . A 22 GLY N . 34602 1 219 . 1 . 1 27 27 LEU H H 1 7.959 0.000 . . . . . . A 23 LEU H . 34602 1 220 . 1 . 1 27 27 LEU HA H 1 4.657 0.000 . . . . . . A 23 LEU HA . 34602 1 221 . 1 . 1 27 27 LEU HB2 H 1 1.658 0.000 . . . . . . A 23 LEU HB2 . 34602 1 222 . 1 . 1 27 27 LEU HB3 H 1 1.593 0.000 . . . . . . A 23 LEU HB3 . 34602 1 223 . 1 . 1 27 27 LEU HG H 1 1.480 0.000 . . . . . . A 23 LEU HG . 34602 1 224 . 1 . 1 27 27 LEU HD11 H 1 0.972 0.000 . . . . . . A 23 LEU HD11 . 34602 1 225 . 1 . 1 27 27 LEU HD12 H 1 0.972 0.000 . . . . . . A 23 LEU HD12 . 34602 1 226 . 1 . 1 27 27 LEU HD13 H 1 0.972 0.000 . . . . . . A 23 LEU HD13 . 34602 1 227 . 1 . 1 27 27 LEU HD21 H 1 0.919 0.000 . . . . . . A 23 LEU HD21 . 34602 1 228 . 1 . 1 27 27 LEU HD22 H 1 0.919 0.000 . . . . . . A 23 LEU HD22 . 34602 1 229 . 1 . 1 27 27 LEU HD23 H 1 0.919 0.000 . . . . . . A 23 LEU HD23 . 34602 1 230 . 1 . 1 27 27 LEU C C 13 175.170 0.000 . . . . . . A 23 LEU C . 34602 1 231 . 1 . 1 27 27 LEU CA C 13 53.070 0.000 . . . . . . A 23 LEU CA . 34602 1 232 . 1 . 1 27 27 LEU CB C 13 41.740 0.000 . . . . . . A 23 LEU CB . 34602 1 233 . 1 . 1 27 27 LEU N N 15 122.730 0.000 . . . . . . A 23 LEU N . 34602 1 234 . 1 . 1 28 28 PRO HA H 1 4.467 0.000 . . . . . . A 24 PRO HA . 34602 1 235 . 1 . 1 28 28 PRO HB2 H 1 2.268 0.000 . . . . . . A 24 PRO HB2 . 34602 1 236 . 1 . 1 28 28 PRO HB3 H 1 1.880 0.000 . . . . . . A 24 PRO HB3 . 34602 1 237 . 1 . 1 28 28 PRO HG2 H 1 2.151 0.000 . . . . . . A 24 PRO HG2 . 34602 1 238 . 1 . 1 28 28 PRO HG3 H 1 2.123 0.000 . . . . . . A 24 PRO HG3 . 34602 1 239 . 1 . 1 28 28 PRO HD2 H 1 3.836 0.000 . . . . . . A 24 PRO HD2 . 34602 1 240 . 1 . 1 28 28 PRO HD3 H 1 3.631 0.000 . . . . . . A 24 PRO HD3 . 34602 1 241 . 1 . 1 28 28 PRO C C 13 176.560 0.000 . . . . . . A 24 PRO C . 34602 1 242 . 1 . 1 28 28 PRO CA C 13 63.120 0.000 . . . . . . A 24 PRO CA . 34602 1 243 . 1 . 1 28 28 PRO CB C 13 31.530 0.000 . . . . . . A 24 PRO CB . 34602 1 244 . 1 . 1 29 29 ILE H H 1 8.222 0.000 . . . . . . A 25 ILE H . 34602 1 245 . 1 . 1 29 29 ILE HA H 1 4.439 0.000 . . . . . . A 25 ILE HA . 34602 1 246 . 1 . 1 29 29 ILE HB H 1 1.847 0.000 . . . . . . A 25 ILE HB . 34602 1 247 . 1 . 1 29 29 ILE HG12 H 1 1.192 0.000 . . . . . . A 25 ILE HG12 . 34602 1 248 . 1 . 1 29 29 ILE HG13 H 1 1.550 0.000 . . . . . . A 25 ILE HG13 . 34602 1 249 . 1 . 1 29 29 ILE HG21 H 1 0.963 0.000 . . . . . . A 25 ILE HG21 . 34602 1 250 . 1 . 1 29 29 ILE HG22 H 1 0.963 0.000 . . . . . . A 25 ILE HG22 . 34602 1 251 . 1 . 1 29 29 ILE HG23 H 1 0.963 0.000 . . . . . . A 25 ILE HG23 . 34602 1 252 . 1 . 1 29 29 ILE HD11 H 1 0.862 0.000 . . . . . . A 25 ILE HD11 . 34602 1 253 . 1 . 1 29 29 ILE HD12 H 1 0.862 0.000 . . . . . . A 25 ILE HD12 . 34602 1 254 . 1 . 1 29 29 ILE HD13 H 1 0.862 0.000 . . . . . . A 25 ILE HD13 . 34602 1 255 . 1 . 1 29 29 ILE C C 13 174.510 0.000 . . . . . . A 25 ILE C . 34602 1 256 . 1 . 1 29 29 ILE CA C 13 58.790 0.000 . . . . . . A 25 ILE CA . 34602 1 257 . 1 . 1 29 29 ILE CB C 13 38.730 0.000 . . . . . . A 25 ILE CB . 34602 1 258 . 1 . 1 29 29 ILE N N 15 123.010 0.000 . . . . . . A 25 ILE N . 34602 1 259 . 1 . 1 30 30 PRO HD2 H 1 3.937 0.000 . . . . . . A 26 PRO HD2 . 34602 1 260 . 1 . 1 30 30 PRO HD3 H 1 3.676 0.000 . . . . . . A 26 PRO HD3 . 34602 1 261 . 1 . 1 31 31 PRO HA H 1 4.432 0.000 . . . . . . A 27 PRO HA . 34602 1 262 . 1 . 1 31 31 PRO HB2 H 1 2.260 0.000 . . . . . . A 27 PRO HB2 . 34602 1 263 . 1 . 1 31 31 PRO HB3 H 1 1.853 0.000 . . . . . . A 27 PRO HB3 . 34602 1 264 . 1 . 1 31 31 PRO HG2 H 1 2.046 0.000 . . . . . . A 27 PRO HG2 . 34602 1 265 . 1 . 1 31 31 PRO HG3 H 1 1.999 0.000 . . . . . . A 27 PRO HG3 . 34602 1 266 . 1 . 1 31 31 PRO HD2 H 1 3.584 0.000 . . . . . . A 27 PRO HD2 . 34602 1 267 . 1 . 1 31 31 PRO HD3 H 1 3.524 0.000 . . . . . . A 27 PRO HD3 . 34602 1 268 . 1 . 1 31 31 PRO C C 13 176.520 0.000 . . . . . . A 27 PRO C . 34602 1 269 . 1 . 1 31 31 PRO CA C 13 63.120 0.000 . . . . . . A 27 PRO CA . 34602 1 270 . 1 . 1 31 31 PRO CB C 13 31.820 0.000 . . . . . . A 27 PRO CB . 34602 1 271 . 1 . 1 32 32 ILE H H 1 8.056 0.000 . . . . . . A 28 ILE H . 34602 1 272 . 1 . 1 32 32 ILE HA H 1 4.022 0.000 . . . . . . A 28 ILE HA . 34602 1 273 . 1 . 1 32 32 ILE HB H 1 1.658 0.000 . . . . . . A 28 ILE HB . 34602 1 274 . 1 . 1 32 32 ILE HG12 H 1 1.059 0.000 . . . . . . A 28 ILE HG12 . 34602 1 275 . 1 . 1 32 32 ILE HG13 H 1 1.405 0.000 . . . . . . A 28 ILE HG13 . 34602 1 276 . 1 . 1 32 32 ILE HG21 H 1 0.581 0.000 . . . . . . A 28 ILE HG21 . 34602 1 277 . 1 . 1 32 32 ILE HG22 H 1 0.581 0.000 . . . . . . A 28 ILE HG22 . 34602 1 278 . 1 . 1 32 32 ILE HG23 H 1 0.581 0.000 . . . . . . A 28 ILE HG23 . 34602 1 279 . 1 . 1 32 32 ILE HD11 H 1 0.822 0.000 . . . . . . A 28 ILE HD11 . 34602 1 280 . 1 . 1 32 32 ILE HD12 H 1 0.822 0.000 . . . . . . A 28 ILE HD12 . 34602 1 281 . 1 . 1 32 32 ILE HD13 H 1 0.822 0.000 . . . . . . A 28 ILE HD13 . 34602 1 282 . 1 . 1 32 32 ILE C C 13 175.360 0.000 . . . . . . A 28 ILE C . 34602 1 283 . 1 . 1 32 32 ILE CA C 13 61.090 0.000 . . . . . . A 28 ILE CA . 34602 1 284 . 1 . 1 32 32 ILE CB C 13 38.880 0.000 . . . . . . A 28 ILE CB . 34602 1 285 . 1 . 1 32 32 ILE N N 15 121.260 0.000 . . . . . . A 28 ILE N . 34602 1 286 . 1 . 1 33 33 ILE H H 1 8.108 0.000 . . . . . . A 29 ILE H . 34602 1 287 . 1 . 1 33 33 ILE HA H 1 3.958 0.000 . . . . . . A 29 ILE HA . 34602 1 288 . 1 . 1 33 33 ILE HB H 1 1.600 0.000 . . . . . . A 29 ILE HB . 34602 1 289 . 1 . 1 33 33 ILE HG12 H 1 1.027 0.000 . . . . . . A 29 ILE HG12 . 34602 1 290 . 1 . 1 33 33 ILE HG13 H 1 1.401 0.000 . . . . . . A 29 ILE HG13 . 34602 1 291 . 1 . 1 33 33 ILE HG21 H 1 0.514 0.000 . . . . . . A 29 ILE HG21 . 34602 1 292 . 1 . 1 33 33 ILE HG22 H 1 0.514 0.000 . . . . . . A 29 ILE HG22 . 34602 1 293 . 1 . 1 33 33 ILE HG23 H 1 0.514 0.000 . . . . . . A 29 ILE HG23 . 34602 1 294 . 1 . 1 33 33 ILE HD11 H 1 0.811 0.000 . . . . . . A 29 ILE HD11 . 34602 1 295 . 1 . 1 33 33 ILE HD12 H 1 0.811 0.000 . . . . . . A 29 ILE HD12 . 34602 1 296 . 1 . 1 33 33 ILE HD13 H 1 0.811 0.000 . . . . . . A 29 ILE HD13 . 34602 1 297 . 1 . 1 33 33 ILE C C 13 174.260 0.000 . . . . . . A 29 ILE C . 34602 1 298 . 1 . 1 33 33 ILE CA C 13 60.820 0.000 . . . . . . A 29 ILE CA . 34602 1 299 . 1 . 1 33 33 ILE CB C 13 38.660 0.000 . . . . . . A 29 ILE CB . 34602 1 300 . 1 . 1 33 33 ILE N N 15 127.870 0.000 . . . . . . A 29 ILE N . 34602 1 301 . 1 . 1 34 34 HIS H H 1 8.552 0.000 . . . . . . A 30 HIS H . 34602 1 302 . 1 . 1 34 34 HIS HA H 1 4.828 0.000 . . . . . . A 30 HIS HA . 34602 1 303 . 1 . 1 34 34 HIS HB2 H 1 2.742 0.000 . . . . . . A 30 HIS HB2 . 34602 1 304 . 1 . 1 34 34 HIS HB3 H 1 2.687 0.000 . . . . . . A 30 HIS HB3 . 34602 1 305 . 1 . 1 34 34 HIS HD2 H 1 6.614 0.000 . . . . . . A 30 HIS HD2 . 34602 1 306 . 1 . 1 34 34 HIS HE1 H 1 7.704 0.000 . . . . . . A 30 HIS HE1 . 34602 1 307 . 1 . 1 34 34 HIS C C 13 172.330 0.000 . . . . . . A 30 HIS C . 34602 1 308 . 1 . 1 34 34 HIS CA C 13 54.810 0.000 . . . . . . A 30 HIS CA . 34602 1 309 . 1 . 1 34 34 HIS CB C 13 34.180 0.000 . . . . . . A 30 HIS CB . 34602 1 310 . 1 . 1 34 34 HIS N N 15 123.520 0.000 . . . . . . A 30 HIS N . 34602 1 311 . 1 . 1 35 35 TYR H H 1 8.546 0.000 . . . . . . A 31 TYR H . 34602 1 312 . 1 . 1 35 35 TYR HA H 1 4.730 0.000 . . . . . . A 31 TYR HA . 34602 1 313 . 1 . 1 35 35 TYR HB2 H 1 1.970 0.000 . . . . . . A 31 TYR HB2 . 34602 1 314 . 1 . 1 35 35 TYR HB3 H 1 1.798 0.000 . . . . . . A 31 TYR HB3 . 34602 1 315 . 1 . 1 35 35 TYR HD1 H 1 6.846 0.000 . . . . . . A 31 TYR HD1 . 34602 1 316 . 1 . 1 35 35 TYR HD2 H 1 6.846 0.000 . . . . . . A 31 TYR HD2 . 34602 1 317 . 1 . 1 35 35 TYR HE1 H 1 6.616 0.000 . . . . . . A 31 TYR HE1 . 34602 1 318 . 1 . 1 35 35 TYR HE2 H 1 6.616 0.000 . . . . . . A 31 TYR HE2 . 34602 1 319 . 1 . 1 35 35 TYR C C 13 175.090 0.000 . . . . . . A 31 TYR C . 34602 1 320 . 1 . 1 35 35 TYR CA C 13 57.810 0.000 . . . . . . A 31 TYR CA . 34602 1 321 . 1 . 1 35 35 TYR CB C 13 41.440 0.000 . . . . . . A 31 TYR CB . 34602 1 322 . 1 . 1 35 35 TYR N N 15 112.860 0.000 . . . . . . A 31 TYR N . 34602 1 323 . 1 . 1 36 36 GLY H H 1 8.454 0.000 . . . . . . A 32 GLY H . 34602 1 324 . 1 . 1 36 36 GLY HA2 H 1 2.957 0.000 . . . . . . A 32 GLY HA2 . 34602 1 325 . 1 . 1 36 36 GLY HA3 H 1 4.154 0.000 . . . . . . A 32 GLY HA3 . 34602 1 326 . 1 . 1 36 36 GLY C C 13 171.950 0.000 . . . . . . A 32 GLY C . 34602 1 327 . 1 . 1 36 36 GLY CA C 13 43.710 0.000 . . . . . . A 32 GLY CA . 34602 1 328 . 1 . 1 36 36 GLY N N 15 108.020 0.000 . . . . . . A 32 GLY N . 34602 1 329 . 1 . 1 37 37 ALA H H 1 8.600 0.000 . . . . . . A 33 ALA H . 34602 1 330 . 1 . 1 37 37 ALA HA H 1 5.231 0.000 . . . . . . A 33 ALA HA . 34602 1 331 . 1 . 1 37 37 ALA HB1 H 1 1.202 0.000 . . . . . . A 33 ALA HB1 . 34602 1 332 . 1 . 1 37 37 ALA HB2 H 1 1.202 0.000 . . . . . . A 33 ALA HB2 . 34602 1 333 . 1 . 1 37 37 ALA HB3 H 1 1.202 0.000 . . . . . . A 33 ALA HB3 . 34602 1 334 . 1 . 1 37 37 ALA C C 13 175.670 0.000 . . . . . . A 33 ALA C . 34602 1 335 . 1 . 1 37 37 ALA CA C 13 51.930 0.000 . . . . . . A 33 ALA CA . 34602 1 336 . 1 . 1 37 37 ALA CB C 13 21.540 0.000 . . . . . . A 33 ALA CB . 34602 1 337 . 1 . 1 37 37 ALA N N 15 121.380 0.000 . . . . . . A 33 ALA N . 34602 1 338 . 1 . 1 38 38 ILE H H 1 8.961 0.000 . . . . . . A 34 ILE H . 34602 1 339 . 1 . 1 38 38 ILE HA H 1 4.786 0.000 . . . . . . A 34 ILE HA . 34602 1 340 . 1 . 1 38 38 ILE HB H 1 1.799 0.000 . . . . . . A 34 ILE HB . 34602 1 341 . 1 . 1 38 38 ILE HG12 H 1 1.523 0.000 . . . . . . A 34 ILE HG12 . 34602 1 342 . 1 . 1 38 38 ILE HG13 H 1 1.560 0.000 . . . . . . A 34 ILE HG13 . 34602 1 343 . 1 . 1 38 38 ILE HG21 H 1 0.881 0.000 . . . . . . A 34 ILE HG21 . 34602 1 344 . 1 . 1 38 38 ILE HG22 H 1 0.881 0.000 . . . . . . A 34 ILE HG22 . 34602 1 345 . 1 . 1 38 38 ILE HG23 H 1 0.881 0.000 . . . . . . A 34 ILE HG23 . 34602 1 346 . 1 . 1 38 38 ILE HD11 H 1 0.571 0.000 . . . . . . A 34 ILE HD11 . 34602 1 347 . 1 . 1 38 38 ILE HD12 H 1 0.571 0.000 . . . . . . A 34 ILE HD12 . 34602 1 348 . 1 . 1 38 38 ILE HD13 H 1 0.571 0.000 . . . . . . A 34 ILE HD13 . 34602 1 349 . 1 . 1 38 38 ILE C C 13 174.140 0.000 . . . . . . A 34 ILE C . 34602 1 350 . 1 . 1 38 38 ILE CA C 13 61.260 0.000 . . . . . . A 34 ILE CA . 34602 1 351 . 1 . 1 38 38 ILE CB C 13 41.520 0.000 . . . . . . A 34 ILE CB . 34602 1 352 . 1 . 1 38 38 ILE N N 15 116.750 0.000 . . . . . . A 34 ILE N . 34602 1 353 . 1 . 1 39 39 ALA H H 1 9.559 0.000 . . . . . . A 35 ALA H . 34602 1 354 . 1 . 1 39 39 ALA HA H 1 5.435 0.000 . . . . . . A 35 ALA HA . 34602 1 355 . 1 . 1 39 39 ALA HB1 H 1 0.955 0.000 . . . . . . A 35 ALA HB1 . 34602 1 356 . 1 . 1 39 39 ALA HB2 H 1 0.955 0.000 . . . . . . A 35 ALA HB2 . 34602 1 357 . 1 . 1 39 39 ALA HB3 H 1 0.955 0.000 . . . . . . A 35 ALA HB3 . 34602 1 358 . 1 . 1 39 39 ALA C C 13 174.160 0.000 . . . . . . A 35 ALA C . 34602 1 359 . 1 . 1 39 39 ALA CA C 13 50.300 0.000 . . . . . . A 35 ALA CA . 34602 1 360 . 1 . 1 39 39 ALA CB C 13 22.050 0.000 . . . . . . A 35 ALA CB . 34602 1 361 . 1 . 1 39 39 ALA N N 15 130.910 0.000 . . . . . . A 35 ALA N . 34602 1 362 . 1 . 1 40 40 TYR H H 1 8.647 0.000 . . . . . . A 36 TYR H . 34602 1 363 . 1 . 1 40 40 TYR HA H 1 5.151 0.000 . . . . . . A 36 TYR HA . 34602 1 364 . 1 . 1 40 40 TYR HB2 H 1 2.136 0.000 . . . . . . A 36 TYR HB2 . 34602 1 365 . 1 . 1 40 40 TYR HB3 H 1 2.007 0.000 . . . . . . A 36 TYR HB3 . 34602 1 366 . 1 . 1 40 40 TYR HD1 H 1 6.285 0.000 . . . . . . A 36 TYR HD1 . 34602 1 367 . 1 . 1 40 40 TYR HD2 H 1 6.285 0.000 . . . . . . A 36 TYR HD2 . 34602 1 368 . 1 . 1 40 40 TYR HE1 H 1 6.265 0.000 . . . . . . A 36 TYR HE1 . 34602 1 369 . 1 . 1 40 40 TYR HE2 H 1 6.265 0.000 . . . . . . A 36 TYR HE2 . 34602 1 370 . 1 . 1 40 40 TYR CA C 13 57.990 0.000 . . . . . . A 36 TYR CA . 34602 1 371 . 1 . 1 40 40 TYR N N 15 119.640 0.000 . . . . . . A 36 TYR N . 34602 1 372 . 1 . 1 41 41 ALA H H 1 8.729 0.000 . . . . . . A 37 ALA H . 34602 1 373 . 1 . 1 41 41 ALA HA H 1 5.033 0.000 . . . . . . A 37 ALA HA . 34602 1 374 . 1 . 1 41 41 ALA HB1 H 1 1.467 0.000 . . . . . . A 37 ALA HB1 . 34602 1 375 . 1 . 1 41 41 ALA HB2 H 1 1.467 0.000 . . . . . . A 37 ALA HB2 . 34602 1 376 . 1 . 1 41 41 ALA HB3 H 1 1.467 0.000 . . . . . . A 37 ALA HB3 . 34602 1 377 . 1 . 1 41 41 ALA N N 15 125.060 0.000 . . . . . . A 37 ALA N . 34602 1 378 . 1 . 1 42 42 PRO HA H 1 4.526 0.000 . . . . . . A 38 PRO HA . 34602 1 379 . 1 . 1 42 42 PRO HB2 H 1 2.581 0.000 . . . . . . A 38 PRO HB2 . 34602 1 380 . 1 . 1 42 42 PRO HB3 H 1 2.094 0.000 . . . . . . A 38 PRO HB3 . 34602 1 381 . 1 . 1 42 42 PRO HG2 H 1 2.284 0.000 . . . . . . A 38 PRO HG2 . 34602 1 382 . 1 . 1 42 42 PRO HG3 H 1 2.225 0.000 . . . . . . A 38 PRO HG3 . 34602 1 383 . 1 . 1 42 42 PRO HD2 H 1 3.892 0.000 . . . . . . A 38 PRO HD2 . 34602 1 384 . 1 . 1 42 42 PRO HD3 H 1 3.794 0.000 . . . . . . A 38 PRO HD3 . 34602 1 385 . 1 . 1 42 42 PRO C C 13 177.750 0.000 . . . . . . A 38 PRO C . 34602 1 386 . 1 . 1 42 42 PRO CA C 13 65.330 0.000 . . . . . . A 38 PRO CA . 34602 1 387 . 1 . 1 42 42 PRO CB C 13 31.530 0.000 . . . . . . A 38 PRO CB . 34602 1 388 . 1 . 1 43 43 SER H H 1 7.518 0.000 . . . . . . A 39 SER H . 34602 1 389 . 1 . 1 43 43 SER HA H 1 4.332 0.000 . . . . . . A 39 SER HA . 34602 1 390 . 1 . 1 43 43 SER HB2 H 1 4.090 0.000 . . . . . . A 39 SER HB2 . 34602 1 391 . 1 . 1 43 43 SER HB3 H 1 3.944 0.000 . . . . . . A 39 SER HB3 . 34602 1 392 . 1 . 1 43 43 SER C C 13 175.740 0.000 . . . . . . A 39 SER C . 34602 1 393 . 1 . 1 43 43 SER CA C 13 58.920 0.000 . . . . . . A 39 SER CA . 34602 1 394 . 1 . 1 43 43 SER CB C 13 63.940 0.000 . . . . . . A 39 SER CB . 34602 1 395 . 1 . 1 43 43 SER N N 15 109.510 0.000 . . . . . . A 39 SER N . 34602 1 396 . 1 . 1 44 44 GLY H H 1 8.596 0.000 . . . . . . A 40 GLY H . 34602 1 397 . 1 . 1 44 44 GLY HA2 H 1 3.750 0.000 . . . . . . A 40 GLY HA2 . 34602 1 398 . 1 . 1 44 44 GLY HA3 H 1 4.558 0.000 . . . . . . A 40 GLY HA3 . 34602 1 399 . 1 . 1 44 44 GLY C C 13 173.970 0.000 . . . . . . A 40 GLY C . 34602 1 400 . 1 . 1 44 44 GLY CA C 13 44.860 0.000 . . . . . . A 40 GLY CA . 34602 1 401 . 1 . 1 44 44 GLY N N 15 111.350 0.000 . . . . . . A 40 GLY N . 34602 1 402 . 1 . 1 45 45 ALA H H 1 7.315 0.000 . . . . . . A 41 ALA H . 34602 1 403 . 1 . 1 45 45 ALA HA H 1 4.187 0.000 . . . . . . A 41 ALA HA . 34602 1 404 . 1 . 1 45 45 ALA HB1 H 1 1.304 0.000 . . . . . . A 41 ALA HB1 . 34602 1 405 . 1 . 1 45 45 ALA HB2 H 1 1.304 0.000 . . . . . . A 41 ALA HB2 . 34602 1 406 . 1 . 1 45 45 ALA HB3 H 1 1.304 0.000 . . . . . . A 41 ALA HB3 . 34602 1 407 . 1 . 1 45 45 ALA C C 13 174.560 0.000 . . . . . . A 41 ALA C . 34602 1 408 . 1 . 1 45 45 ALA CA C 13 53.080 0.000 . . . . . . A 41 ALA CA . 34602 1 409 . 1 . 1 45 45 ALA CB C 13 18.600 0.000 . . . . . . A 41 ALA CB . 34602 1 410 . 1 . 1 45 45 ALA N N 15 124.280 0.000 . . . . . . A 41 ALA N . 34602 1 411 . 1 . 1 46 46 SER H H 1 7.968 0.000 . . . . . . A 42 SER H . 34602 1 412 . 1 . 1 46 46 SER HA H 1 4.802 0.000 . . . . . . A 42 SER HA . 34602 1 413 . 1 . 1 46 46 SER HB2 H 1 2.767 0.000 . . . . . . A 42 SER HB2 . 34602 1 414 . 1 . 1 46 46 SER HB3 H 1 2.454 0.000 . . . . . . A 42 SER HB3 . 34602 1 415 . 1 . 1 46 46 SER C C 13 173.670 0.000 . . . . . . A 42 SER C . 34602 1 416 . 1 . 1 46 46 SER CA C 13 56.840 0.000 . . . . . . A 42 SER CA . 34602 1 417 . 1 . 1 46 46 SER CB C 13 67.680 0.000 . . . . . . A 42 SER CB . 34602 1 418 . 1 . 1 46 46 SER N N 15 110.620 0.000 . . . . . . A 42 SER N . 34602 1 419 . 1 . 1 47 47 GLY H H 1 8.179 0.000 . . . . . . A 43 GLY H . 34602 1 420 . 1 . 1 47 47 GLY HA2 H 1 3.777 0.000 . . . . . . A 43 GLY HA2 . 34602 1 421 . 1 . 1 47 47 GLY HA3 H 1 4.263 0.000 . . . . . . A 43 GLY HA3 . 34602 1 422 . 1 . 1 47 47 GLY C C 13 171.220 0.000 . . . . . . A 43 GLY C . 34602 1 423 . 1 . 1 47 47 GLY CA C 13 44.950 0.000 . . . . . . A 43 GLY CA . 34602 1 424 . 1 . 1 47 47 GLY N N 15 105.250 0.000 . . . . . . A 43 GLY N . 34602 1 425 . 1 . 1 48 48 LYS H H 1 8.146 0.000 . . . . . . A 44 LYS H . 34602 1 426 . 1 . 1 48 48 LYS HA H 1 5.217 0.000 . . . . . . A 44 LYS HA . 34602 1 427 . 1 . 1 48 48 LYS HB2 H 1 1.622 0.000 . . . . . . A 44 LYS HB2 . 34602 1 428 . 1 . 1 48 48 LYS HB3 H 1 1.330 0.000 . . . . . . A 44 LYS HB3 . 34602 1 429 . 1 . 1 48 48 LYS HG2 H 1 1.287 0.000 . . . . . . A 44 LYS HG2 . 34602 1 430 . 1 . 1 48 48 LYS HG3 H 1 1.185 0.000 . . . . . . A 44 LYS HG3 . 34602 1 431 . 1 . 1 48 48 LYS HD2 H 1 1.436 0.000 . . . . . . A 44 LYS HD2 . 34602 1 432 . 1 . 1 48 48 LYS HD3 H 1 1.436 0.000 . . . . . . A 44 LYS HD3 . 34602 1 433 . 1 . 1 48 48 LYS HE2 H 1 2.737 0.000 . . . . . . A 44 LYS HE2 . 34602 1 434 . 1 . 1 48 48 LYS HE3 H 1 2.737 0.000 . . . . . . A 44 LYS HE3 . 34602 1 435 . 1 . 1 48 48 LYS C C 13 172.860 0.000 . . . . . . A 44 LYS C . 34602 1 436 . 1 . 1 48 48 LYS CA C 13 54.810 0.000 . . . . . . A 44 LYS CA . 34602 1 437 . 1 . 1 48 48 LYS CB C 13 36.970 0.000 . . . . . . A 44 LYS CB . 34602 1 438 . 1 . 1 48 48 LYS N N 15 119.760 0.000 . . . . . . A 44 LYS N . 34602 1 439 . 1 . 1 49 49 ALA H H 1 8.841 0.000 . . . . . . A 45 ALA H . 34602 1 440 . 1 . 1 49 49 ALA HA H 1 4.718 0.000 . . . . . . A 45 ALA HA . 34602 1 441 . 1 . 1 49 49 ALA HB1 H 1 1.332 0.000 . . . . . . A 45 ALA HB1 . 34602 1 442 . 1 . 1 49 49 ALA HB2 H 1 1.332 0.000 . . . . . . A 45 ALA HB2 . 34602 1 443 . 1 . 1 49 49 ALA HB3 H 1 1.332 0.000 . . . . . . A 45 ALA HB3 . 34602 1 444 . 1 . 1 49 49 ALA C C 13 175.240 0.000 . . . . . . A 45 ALA C . 34602 1 445 . 1 . 1 49 49 ALA CA C 13 50.740 0.000 . . . . . . A 45 ALA CA . 34602 1 446 . 1 . 1 49 49 ALA CB C 13 24.920 0.000 . . . . . . A 45 ALA CB . 34602 1 447 . 1 . 1 49 49 ALA N N 15 121.940 0.000 . . . . . . A 45 ALA N . 34602 1 448 . 1 . 1 50 50 TRP H H 1 8.704 0.000 . . . . . . A 46 TRP H . 34602 1 449 . 1 . 1 50 50 TRP HA H 1 5.123 0.000 . . . . . . A 46 TRP HA . 34602 1 450 . 1 . 1 50 50 TRP HB2 H 1 3.304 0.000 . . . . . . A 46 TRP HB2 . 34602 1 451 . 1 . 1 50 50 TRP HB3 H 1 3.180 0.000 . . . . . . A 46 TRP HB3 . 34602 1 452 . 1 . 1 50 50 TRP HD1 H 1 6.960 0.000 . . . . . . A 46 TRP HD1 . 34602 1 453 . 1 . 1 50 50 TRP HE1 H 1 10.230 0.000 . . . . . . A 46 TRP HE1 . 34602 1 454 . 1 . 1 50 50 TRP HE3 H 1 7.246 0.000 . . . . . . A 46 TRP HE3 . 34602 1 455 . 1 . 1 50 50 TRP HZ2 H 1 6.921 0.000 . . . . . . A 46 TRP HZ2 . 34602 1 456 . 1 . 1 50 50 TRP HZ3 H 1 7.415 0.000 . . . . . . A 46 TRP HZ3 . 34602 1 457 . 1 . 1 50 50 TRP HH2 H 1 7.144 0.000 . . . . . . A 46 TRP HH2 . 34602 1 458 . 1 . 1 50 50 TRP C C 13 175.210 0.000 . . . . . . A 46 TRP C . 34602 1 459 . 1 . 1 50 50 TRP CA C 13 57.430 0.000 . . . . . . A 46 TRP CA . 34602 1 460 . 1 . 1 50 50 TRP CB C 13 31.310 0.000 . . . . . . A 46 TRP CB . 34602 1 461 . 1 . 1 50 50 TRP N N 15 118.110 0.000 . . . . . . A 46 TRP N . 34602 1 462 . 1 . 1 50 50 TRP NE1 N 15 130.630 0.000 . . . . . . A 46 TRP NE1 . 34602 1 463 . 1 . 1 51 51 HIS H H 1 9.263 0.000 . . . . . . A 47 HIS H . 34602 1 464 . 1 . 1 51 51 HIS HA H 1 3.604 0.000 . . . . . . A 47 HIS HA . 34602 1 465 . 1 . 1 51 51 HIS HB2 H 1 3.410 0.000 . . . . . . A 47 HIS HB2 . 34602 1 466 . 1 . 1 51 51 HIS HB3 H 1 3.009 0.000 . . . . . . A 47 HIS HB3 . 34602 1 467 . 1 . 1 51 51 HIS HD2 H 1 7.007 0.000 . . . . . . A 47 HIS HD2 . 34602 1 468 . 1 . 1 51 51 HIS HE1 H 1 8.280 0.000 . . . . . . A 47 HIS HE1 . 34602 1 469 . 1 . 1 51 51 HIS C C 13 173.870 0.000 . . . . . . A 47 HIS C . 34602 1 470 . 1 . 1 51 51 HIS CA C 13 57.430 0.000 . . . . . . A 47 HIS CA . 34602 1 471 . 1 . 1 51 51 HIS CB C 13 27.560 0.000 . . . . . . A 47 HIS CB . 34602 1 472 . 1 . 1 51 51 HIS N N 15 115.440 0.000 . . . . . . A 47 HIS N . 34602 1 473 . 1 . 1 52 52 GLN H H 1 9.015 0.000 . . . . . . A 48 GLN H . 34602 1 474 . 1 . 1 52 52 GLN HA H 1 4.703 0.000 . . . . . . A 48 GLN HA . 34602 1 475 . 1 . 1 52 52 GLN HB2 H 1 1.783 0.000 . . . . . . A 48 GLN HB2 . 34602 1 476 . 1 . 1 52 52 GLN HB3 H 1 1.749 0.000 . . . . . . A 48 GLN HB3 . 34602 1 477 . 1 . 1 52 52 GLN HG2 H 1 2.222 0.000 . . . . . . A 48 GLN HG2 . 34602 1 478 . 1 . 1 52 52 GLN HG3 H 1 2.188 0.000 . . . . . . A 48 GLN HG3 . 34602 1 479 . 1 . 1 52 52 GLN HE21 H 1 7.263 0.000 . . . . . . A 48 GLN HE21 . 34602 1 480 . 1 . 1 52 52 GLN HE22 H 1 7.236 0.000 . . . . . . A 48 GLN HE22 . 34602 1 481 . 1 . 1 52 52 GLN C C 13 178.000 0.000 . . . . . . A 48 GLN C . 34602 1 482 . 1 . 1 52 52 GLN CA C 13 53.800 0.000 . . . . . . A 48 GLN CA . 34602 1 483 . 1 . 1 52 52 GLN CB C 13 29.770 0.000 . . . . . . A 48 GLN CB . 34602 1 484 . 1 . 1 52 52 GLN N N 15 114.210 0.000 . . . . . . A 48 GLN N . 34602 1 485 . 1 . 1 52 52 GLN NE2 N 15 115.870 0.000 . . . . . . A 48 GLN NE2 . 34602 1 486 . 1 . 1 53 53 ARG H H 1 9.421 0.000 . . . . . . A 49 ARG H . 34602 1 487 . 1 . 1 53 53 ARG HA H 1 4.483 0.000 . . . . . . A 49 ARG HA . 34602 1 488 . 1 . 1 53 53 ARG HB2 H 1 2.050 0.000 . . . . . . A 49 ARG HB2 . 34602 1 489 . 1 . 1 53 53 ARG HB3 H 1 1.946 0.000 . . . . . . A 49 ARG HB3 . 34602 1 490 . 1 . 1 53 53 ARG HG2 H 1 1.890 0.000 . . . . . . A 49 ARG HG2 . 34602 1 491 . 1 . 1 53 53 ARG HG3 H 1 1.790 0.000 . . . . . . A 49 ARG HG3 . 34602 1 492 . 1 . 1 53 53 ARG HD2 H 1 3.303 0.000 . . . . . . A 49 ARG HD2 . 34602 1 493 . 1 . 1 53 53 ARG HD3 H 1 3.284 0.000 . . . . . . A 49 ARG HD3 . 34602 1 494 . 1 . 1 53 53 ARG HE H 1 7.463 0.000 . . . . . . A 49 ARG HE . 34602 1 495 . 1 . 1 53 53 ARG C C 13 176.750 0.000 . . . . . . A 49 ARG C . 34602 1 496 . 1 . 1 53 53 ARG CA C 13 58.320 0.000 . . . . . . A 49 ARG CA . 34602 1 497 . 1 . 1 53 53 ARG CB C 13 31.530 0.000 . . . . . . A 49 ARG CB . 34602 1 498 . 1 . 1 53 53 ARG N N 15 118.530 0.000 . . . . . . A 49 ARG N . 34602 1 499 . 1 . 1 53 53 ARG NE N 15 84.100 0.000 . . . . . . A 49 ARG NE . 34602 1 500 . 1 . 1 54 54 THR H H 1 7.112 0.000 . . . . . . A 50 THR H . 34602 1 501 . 1 . 1 54 54 THR HA H 1 4.523 0.000 . . . . . . A 50 THR HA . 34602 1 502 . 1 . 1 54 54 THR HB H 1 4.080 0.000 . . . . . . A 50 THR HB . 34602 1 503 . 1 . 1 54 54 THR HG21 H 1 1.163 0.000 . . . . . . A 50 THR HG21 . 34602 1 504 . 1 . 1 54 54 THR HG22 H 1 1.163 0.000 . . . . . . A 50 THR HG22 . 34602 1 505 . 1 . 1 54 54 THR HG23 H 1 1.163 0.000 . . . . . . A 50 THR HG23 . 34602 1 506 . 1 . 1 54 54 THR C C 13 172.430 0.000 . . . . . . A 50 THR C . 34602 1 507 . 1 . 1 54 54 THR CA C 13 57.570 0.000 . . . . . . A 50 THR CA . 34602 1 508 . 1 . 1 54 54 THR CB C 13 70.550 0.000 . . . . . . A 50 THR CB . 34602 1 509 . 1 . 1 54 54 THR N N 15 104.140 0.000 . . . . . . A 50 THR N . 34602 1 510 . 1 . 1 55 55 PRO HA H 1 3.459 0.000 . . . . . . A 51 PRO HA . 34602 1 511 . 1 . 1 55 55 PRO HB2 H 1 1.976 0.000 . . . . . . A 51 PRO HB2 . 34602 1 512 . 1 . 1 55 55 PRO HB3 H 1 1.807 0.000 . . . . . . A 51 PRO HB3 . 34602 1 513 . 1 . 1 55 55 PRO HG2 H 1 1.914 0.000 . . . . . . A 51 PRO HG2 . 34602 1 514 . 1 . 1 55 55 PRO HG3 H 1 1.876 0.000 . . . . . . A 51 PRO HG3 . 34602 1 515 . 1 . 1 55 55 PRO HD2 H 1 3.859 0.000 . . . . . . A 51 PRO HD2 . 34602 1 516 . 1 . 1 55 55 PRO HD3 H 1 3.584 0.000 . . . . . . A 51 PRO HD3 . 34602 1 517 . 1 . 1 55 55 PRO C C 13 179.380 0.000 . . . . . . A 51 PRO C . 34602 1 518 . 1 . 1 55 55 PRO CA C 13 64.590 0.000 . . . . . . A 51 PRO CA . 34602 1 519 . 1 . 1 55 55 PRO CB C 13 30.570 0.000 . . . . . . A 51 PRO CB . 34602 1 520 . 1 . 1 56 56 ALA H H 1 7.635 0.000 . . . . . . A 52 ALA H . 34602 1 521 . 1 . 1 56 56 ALA HA H 1 4.070 0.000 . . . . . . A 52 ALA HA . 34602 1 522 . 1 . 1 56 56 ALA HB1 H 1 1.296 0.000 . . . . . . A 52 ALA HB1 . 34602 1 523 . 1 . 1 56 56 ALA HB2 H 1 1.296 0.000 . . . . . . A 52 ALA HB2 . 34602 1 524 . 1 . 1 56 56 ALA HB3 H 1 1.296 0.000 . . . . . . A 52 ALA HB3 . 34602 1 525 . 1 . 1 56 56 ALA C C 13 180.510 0.000 . . . . . . A 52 ALA C . 34602 1 526 . 1 . 1 56 56 ALA CA C 13 55.200 0.000 . . . . . . A 52 ALA CA . 34602 1 527 . 1 . 1 56 56 ALA CB C 13 17.930 0.000 . . . . . . A 52 ALA CB . 34602 1 528 . 1 . 1 56 56 ALA N N 15 120.390 0.000 . . . . . . A 52 ALA N . 34602 1 529 . 1 . 1 57 57 ARG H H 1 7.753 0.000 . . . . . . A 53 ARG H . 34602 1 530 . 1 . 1 57 57 ARG HA H 1 4.050 0.000 . . . . . . A 53 ARG HA . 34602 1 531 . 1 . 1 57 57 ARG HB2 H 1 1.965 0.000 . . . . . . A 53 ARG HB2 . 34602 1 532 . 1 . 1 57 57 ARG HB3 H 1 1.827 0.000 . . . . . . A 53 ARG HB3 . 34602 1 533 . 1 . 1 57 57 ARG HG2 H 1 1.752 0.000 . . . . . . A 53 ARG HG2 . 34602 1 534 . 1 . 1 57 57 ARG HG3 H 1 1.718 0.000 . . . . . . A 53 ARG HG3 . 34602 1 535 . 1 . 1 57 57 ARG HD2 H 1 3.266 0.000 . . . . . . A 53 ARG HD2 . 34602 1 536 . 1 . 1 57 57 ARG HD3 H 1 3.190 0.000 . . . . . . A 53 ARG HD3 . 34602 1 537 . 1 . 1 57 57 ARG HE H 1 7.147 0.000 . . . . . . A 53 ARG HE . 34602 1 538 . 1 . 1 57 57 ARG C C 13 177.960 0.000 . . . . . . A 53 ARG C . 34602 1 539 . 1 . 1 57 57 ARG CA C 13 57.870 0.000 . . . . . . A 53 ARG CA . 34602 1 540 . 1 . 1 57 57 ARG CB C 13 29.550 0.000 . . . . . . A 53 ARG CB . 34602 1 541 . 1 . 1 57 57 ARG N N 15 118.490 0.000 . . . . . . A 53 ARG N . 34602 1 542 . 1 . 1 57 57 ARG NE N 15 84.310 0.000 . . . . . . A 53 ARG NE . 34602 1 543 . 1 . 1 58 58 ALA H H 1 7.356 0.000 . . . . . . A 54 ALA H . 34602 1 544 . 1 . 1 58 58 ALA HA H 1 3.583 0.000 . . . . . . A 54 ALA HA . 34602 1 545 . 1 . 1 58 58 ALA HB1 H 1 1.038 0.000 . . . . . . A 54 ALA HB1 . 34602 1 546 . 1 . 1 58 58 ALA HB2 H 1 1.038 0.000 . . . . . . A 54 ALA HB2 . 34602 1 547 . 1 . 1 58 58 ALA HB3 H 1 1.038 0.000 . . . . . . A 54 ALA HB3 . 34602 1 548 . 1 . 1 58 58 ALA C C 13 177.820 0.000 . . . . . . A 54 ALA C . 34602 1 549 . 1 . 1 58 58 ALA CA C 13 55.890 0.000 . . . . . . A 54 ALA CA . 34602 1 550 . 1 . 1 58 58 ALA CB C 13 16.690 0.000 . . . . . . A 54 ALA CB . 34602 1 551 . 1 . 1 58 58 ALA N N 15 118.850 0.000 . . . . . . A 54 ALA N . 34602 1 552 . 1 . 1 59 59 GLU H H 1 7.708 0.000 . . . . . . A 55 GLU H . 34602 1 553 . 1 . 1 59 59 GLU HA H 1 3.456 0.000 . . . . . . A 55 GLU HA . 34602 1 554 . 1 . 1 59 59 GLU HB2 H 1 2.057 0.000 . . . . . . A 55 GLU HB2 . 34602 1 555 . 1 . 1 59 59 GLU HB3 H 1 1.986 0.000 . . . . . . A 55 GLU HB3 . 34602 1 556 . 1 . 1 59 59 GLU HG2 H 1 2.364 0.000 . . . . . . A 55 GLU HG2 . 34602 1 557 . 1 . 1 59 59 GLU HG3 H 1 2.320 0.000 . . . . . . A 55 GLU HG3 . 34602 1 558 . 1 . 1 59 59 GLU C C 13 176.850 0.000 . . . . . . A 55 GLU C . 34602 1 559 . 1 . 1 59 59 GLU CA C 13 60.200 0.000 . . . . . . A 55 GLU CA . 34602 1 560 . 1 . 1 59 59 GLU CB C 13 29.030 0.000 . . . . . . A 55 GLU CB . 34602 1 561 . 1 . 1 59 59 GLU N N 15 115.750 0.000 . . . . . . A 55 GLU N . 34602 1 562 . 1 . 1 60 60 GLN H H 1 7.927 0.000 . . . . . . A 56 GLN H . 34602 1 563 . 1 . 1 60 60 GLN HA H 1 3.823 0.000 . . . . . . A 56 GLN HA . 34602 1 564 . 1 . 1 60 60 GLN HB2 H 1 2.117 0.000 . . . . . . A 56 GLN HB2 . 34602 1 565 . 1 . 1 60 60 GLN HB3 H 1 2.050 0.000 . . . . . . A 56 GLN HB3 . 34602 1 566 . 1 . 1 60 60 GLN HG2 H 1 2.442 0.000 . . . . . . A 56 GLN HG2 . 34602 1 567 . 1 . 1 60 60 GLN HG3 H 1 2.260 0.000 . . . . . . A 56 GLN HG3 . 34602 1 568 . 1 . 1 60 60 GLN HE21 H 1 7.599 0.000 . . . . . . A 56 GLN HE21 . 34602 1 569 . 1 . 1 60 60 GLN HE22 H 1 6.725 0.000 . . . . . . A 56 GLN HE22 . 34602 1 570 . 1 . 1 60 60 GLN C C 13 179.060 0.000 . . . . . . A 56 GLN C . 34602 1 571 . 1 . 1 60 60 GLN CA C 13 59.350 0.000 . . . . . . A 56 GLN CA . 34602 1 572 . 1 . 1 60 60 GLN CB C 13 28.300 0.000 . . . . . . A 56 GLN CB . 34602 1 573 . 1 . 1 60 60 GLN N N 15 117.100 0.000 . . . . . . A 56 GLN N . 34602 1 574 . 1 . 1 60 60 GLN NE2 N 15 111.900 0.000 . . . . . . A 56 GLN NE2 . 34602 1 575 . 1 . 1 61 61 VAL H H 1 8.330 0.000 . . . . . . A 57 VAL H . 34602 1 576 . 1 . 1 61 61 VAL HA H 1 3.609 0.000 . . . . . . A 57 VAL HA . 34602 1 577 . 1 . 1 61 61 VAL HB H 1 1.753 0.000 . . . . . . A 57 VAL HB . 34602 1 578 . 1 . 1 61 61 VAL HG11 H 1 0.944 0.000 . . . . . . A 57 VAL HG11 . 34602 1 579 . 1 . 1 61 61 VAL HG12 H 1 0.944 0.000 . . . . . . A 57 VAL HG12 . 34602 1 580 . 1 . 1 61 61 VAL HG13 H 1 0.944 0.000 . . . . . . A 57 VAL HG13 . 34602 1 581 . 1 . 1 61 61 VAL HG21 H 1 0.880 0.000 . . . . . . A 57 VAL HG21 . 34602 1 582 . 1 . 1 61 61 VAL HG22 H 1 0.880 0.000 . . . . . . A 57 VAL HG22 . 34602 1 583 . 1 . 1 61 61 VAL HG23 H 1 0.880 0.000 . . . . . . A 57 VAL HG23 . 34602 1 584 . 1 . 1 61 61 VAL C C 13 177.770 0.000 . . . . . . A 57 VAL C . 34602 1 585 . 1 . 1 61 61 VAL CA C 13 66.540 0.000 . . . . . . A 57 VAL CA . 34602 1 586 . 1 . 1 61 61 VAL CB C 13 31.460 0.000 . . . . . . A 57 VAL CB . 34602 1 587 . 1 . 1 61 61 VAL N N 15 119.320 0.000 . . . . . . A 57 VAL N . 34602 1 588 . 1 . 1 62 62 ALA H H 1 7.883 0.000 . . . . . . A 58 ALA H . 34602 1 589 . 1 . 1 62 62 ALA HA H 1 3.488 0.000 . . . . . . A 58 ALA HA . 34602 1 590 . 1 . 1 62 62 ALA HB1 H 1 1.177 0.000 . . . . . . A 58 ALA HB1 . 34602 1 591 . 1 . 1 62 62 ALA HB2 H 1 1.177 0.000 . . . . . . A 58 ALA HB2 . 34602 1 592 . 1 . 1 62 62 ALA HB3 H 1 1.177 0.000 . . . . . . A 58 ALA HB3 . 34602 1 593 . 1 . 1 62 62 ALA C C 13 179.920 0.000 . . . . . . A 58 ALA C . 34602 1 594 . 1 . 1 62 62 ALA CA C 13 56.160 0.000 . . . . . . A 58 ALA CA . 34602 1 595 . 1 . 1 62 62 ALA CB C 13 17.640 0.000 . . . . . . A 58 ALA CB . 34602 1 596 . 1 . 1 62 62 ALA N N 15 121.110 0.000 . . . . . . A 58 ALA N . 34602 1 597 . 1 . 1 63 63 LEU H H 1 8.222 0.000 . . . . . . A 59 LEU H . 34602 1 598 . 1 . 1 63 63 LEU HA H 1 3.609 0.000 . . . . . . A 59 LEU HA . 34602 1 599 . 1 . 1 63 63 LEU HB2 H 1 1.728 0.000 . . . . . . A 59 LEU HB2 . 34602 1 600 . 1 . 1 63 63 LEU HB3 H 1 1.627 0.000 . . . . . . A 59 LEU HB3 . 34602 1 601 . 1 . 1 63 63 LEU HG H 1 1.248 0.000 . . . . . . A 59 LEU HG . 34602 1 602 . 1 . 1 63 63 LEU HD11 H 1 0.803 0.000 . . . . . . A 59 LEU HD11 . 34602 1 603 . 1 . 1 63 63 LEU HD12 H 1 0.803 0.000 . . . . . . A 59 LEU HD12 . 34602 1 604 . 1 . 1 63 63 LEU HD13 H 1 0.803 0.000 . . . . . . A 59 LEU HD13 . 34602 1 605 . 1 . 1 63 63 LEU HD21 H 1 0.570 0.000 . . . . . . A 59 LEU HD21 . 34602 1 606 . 1 . 1 63 63 LEU HD22 H 1 0.570 0.000 . . . . . . A 59 LEU HD22 . 34602 1 607 . 1 . 1 63 63 LEU HD23 H 1 0.570 0.000 . . . . . . A 59 LEU HD23 . 34602 1 608 . 1 . 1 63 63 LEU C C 13 180.430 0.000 . . . . . . A 59 LEU C . 34602 1 609 . 1 . 1 63 63 LEU CA C 13 58.530 0.000 . . . . . . A 59 LEU CA . 34602 1 610 . 1 . 1 63 63 LEU CB C 13 41.600 0.000 . . . . . . A 59 LEU CB . 34602 1 611 . 1 . 1 63 63 LEU N N 15 116.350 0.000 . . . . . . A 59 LEU N . 34602 1 612 . 1 . 1 64 64 GLU H H 1 8.371 0.000 . . . . . . A 60 GLU H . 34602 1 613 . 1 . 1 64 64 GLU HA H 1 3.900 0.000 . . . . . . A 60 GLU HA . 34602 1 614 . 1 . 1 64 64 GLU HB2 H 1 2.155 0.000 . . . . . . A 60 GLU HB2 . 34602 1 615 . 1 . 1 64 64 GLU HB3 H 1 2.053 0.000 . . . . . . A 60 GLU HB3 . 34602 1 616 . 1 . 1 64 64 GLU HG2 H 1 2.398 0.000 . . . . . . A 60 GLU HG2 . 34602 1 617 . 1 . 1 64 64 GLU HG3 H 1 2.368 0.000 . . . . . . A 60 GLU HG3 . 34602 1 618 . 1 . 1 64 64 GLU C C 13 179.730 0.000 . . . . . . A 60 GLU C . 34602 1 619 . 1 . 1 64 64 GLU CA C 13 59.790 0.000 . . . . . . A 60 GLU CA . 34602 1 620 . 1 . 1 64 64 GLU CB C 13 29.030 0.000 . . . . . . A 60 GLU CB . 34602 1 621 . 1 . 1 64 64 GLU N N 15 123.330 0.000 . . . . . . A 60 GLU N . 34602 1 622 . 1 . 1 65 65 LYS H H 1 8.226 0.000 . . . . . . A 61 LYS H . 34602 1 623 . 1 . 1 65 65 LYS HA H 1 3.978 0.000 . . . . . . A 61 LYS HA . 34602 1 624 . 1 . 1 65 65 LYS HB2 H 1 1.952 0.000 . . . . . . A 61 LYS HB2 . 34602 1 625 . 1 . 1 65 65 LYS HB3 H 1 1.741 0.000 . . . . . . A 61 LYS HB3 . 34602 1 626 . 1 . 1 65 65 LYS HG2 H 1 1.556 0.000 . . . . . . A 61 LYS HG2 . 34602 1 627 . 1 . 1 65 65 LYS HG3 H 1 1.526 0.000 . . . . . . A 61 LYS HG3 . 34602 1 628 . 1 . 1 65 65 LYS HD2 H 1 1.705 0.000 . . . . . . A 61 LYS HD2 . 34602 1 629 . 1 . 1 65 65 LYS HD3 H 1 1.705 0.000 . . . . . . A 61 LYS HD3 . 34602 1 630 . 1 . 1 65 65 LYS HE2 H 1 2.985 0.000 . . . . . . A 61 LYS HE2 . 34602 1 631 . 1 . 1 65 65 LYS HE3 H 1 2.985 0.000 . . . . . . A 61 LYS HE3 . 34602 1 632 . 1 . 1 65 65 LYS C C 13 177.530 0.000 . . . . . . A 61 LYS C . 34602 1 633 . 1 . 1 65 65 LYS CA C 13 58.390 0.000 . . . . . . A 61 LYS CA . 34602 1 634 . 1 . 1 65 65 LYS CB C 13 32.340 0.000 . . . . . . A 61 LYS CB . 34602 1 635 . 1 . 1 65 65 LYS N N 15 118.170 0.000 . . . . . . A 61 LYS N . 34602 1 636 . 1 . 1 66 66 CYS H H 1 7.813 0.000 . . . . . . A 62 CYS H . 34602 1 637 . 1 . 1 66 66 CYS HA H 1 3.785 0.000 . . . . . . A 62 CYS HA . 34602 1 638 . 1 . 1 66 66 CYS HB2 H 1 3.129 0.000 . . . . . . A 62 CYS HB2 . 34602 1 639 . 1 . 1 66 66 CYS HB3 H 1 2.892 0.000 . . . . . . A 62 CYS HB3 . 34602 1 640 . 1 . 1 66 66 CYS C C 13 177.160 0.000 . . . . . . A 62 CYS C . 34602 1 641 . 1 . 1 66 66 CYS CA C 13 59.760 0.000 . . . . . . A 62 CYS CA . 34602 1 642 . 1 . 1 66 66 CYS CB C 13 43.210 0.000 . . . . . . A 62 CYS CB . 34602 1 643 . 1 . 1 66 66 CYS N N 15 120.270 0.000 . . . . . . A 62 CYS N . 34602 1 644 . 1 . 1 67 67 GLY H H 1 7.537 0.000 . . . . . . A 63 GLY H . 34602 1 645 . 1 . 1 67 67 GLY HA2 H 1 3.687 0.000 . . . . . . A 63 GLY HA2 . 34602 1 646 . 1 . 1 67 67 GLY HA3 H 1 3.822 0.000 . . . . . . A 63 GLY HA3 . 34602 1 647 . 1 . 1 67 67 GLY C C 13 173.170 0.000 . . . . . . A 63 GLY C . 34602 1 648 . 1 . 1 67 67 GLY CA C 13 47.980 0.000 . . . . . . A 63 GLY CA . 34602 1 649 . 1 . 1 67 67 GLY N N 15 102.970 0.000 . . . . . . A 63 GLY N . 34602 1 650 . 1 . 1 68 68 ASP H H 1 7.512 0.000 . . . . . . A 64 ASP H . 34602 1 651 . 1 . 1 68 68 ASP HA H 1 4.894 0.000 . . . . . . A 64 ASP HA . 34602 1 652 . 1 . 1 68 68 ASP HB2 H 1 2.557 0.000 . . . . . . A 64 ASP HB2 . 34602 1 653 . 1 . 1 68 68 ASP HB3 H 1 2.496 0.000 . . . . . . A 64 ASP HB3 . 34602 1 654 . 1 . 1 68 68 ASP C C 13 177.060 0.000 . . . . . . A 64 ASP C . 34602 1 655 . 1 . 1 68 68 ASP CA C 13 53.490 0.000 . . . . . . A 64 ASP CA . 34602 1 656 . 1 . 1 68 68 ASP CB C 13 45.640 0.000 . . . . . . A 64 ASP CB . 34602 1 657 . 1 . 1 68 68 ASP N N 15 120.710 0.000 . . . . . . A 64 ASP N . 34602 1 658 . 1 . 1 69 69 LYS H H 1 9.072 0.000 . . . . . . A 65 LYS H . 34602 1 659 . 1 . 1 69 69 LYS HA H 1 4.214 0.000 . . . . . . A 65 LYS HA . 34602 1 660 . 1 . 1 69 69 LYS HB2 H 1 1.940 0.000 . . . . . . A 65 LYS HB2 . 34602 1 661 . 1 . 1 69 69 LYS HB3 H 1 1.901 0.000 . . . . . . A 65 LYS HB3 . 34602 1 662 . 1 . 1 69 69 LYS HG2 H 1 1.568 0.000 . . . . . . A 65 LYS HG2 . 34602 1 663 . 1 . 1 69 69 LYS HG3 H 1 1.450 0.000 . . . . . . A 65 LYS HG3 . 34602 1 664 . 1 . 1 69 69 LYS HD2 H 1 1.719 0.000 . . . . . . A 65 LYS HD2 . 34602 1 665 . 1 . 1 69 69 LYS HD3 H 1 1.719 0.000 . . . . . . A 65 LYS HD3 . 34602 1 666 . 1 . 1 69 69 LYS HE2 H 1 2.996 0.000 . . . . . . A 65 LYS HE2 . 34602 1 667 . 1 . 1 69 69 LYS HE3 H 1 2.996 0.000 . . . . . . A 65 LYS HE3 . 34602 1 668 . 1 . 1 69 69 LYS C C 13 177.330 0.000 . . . . . . A 65 LYS C . 34602 1 669 . 1 . 1 69 69 LYS CA C 13 59.140 0.000 . . . . . . A 65 LYS CA . 34602 1 670 . 1 . 1 69 69 LYS CB C 13 31.530 0.000 . . . . . . A 65 LYS CB . 34602 1 671 . 1 . 1 69 69 LYS N N 15 127.930 0.000 . . . . . . A 65 LYS N . 34602 1 672 . 1 . 1 70 70 THR H H 1 9.018 0.000 . . . . . . A 66 THR H . 34602 1 673 . 1 . 1 70 70 THR HA H 1 4.381 0.000 . . . . . . A 66 THR HA . 34602 1 674 . 1 . 1 70 70 THR HB H 1 4.428 0.000 . . . . . . A 66 THR HB . 34602 1 675 . 1 . 1 70 70 THR HG21 H 1 1.294 0.000 . . . . . . A 66 THR HG21 . 34602 1 676 . 1 . 1 70 70 THR HG22 H 1 1.294 0.000 . . . . . . A 66 THR HG22 . 34602 1 677 . 1 . 1 70 70 THR HG23 H 1 1.294 0.000 . . . . . . A 66 THR HG23 . 34602 1 678 . 1 . 1 70 70 THR C C 13 175.200 0.000 . . . . . . A 66 THR C . 34602 1 679 . 1 . 1 70 70 THR CA C 13 62.570 0.000 . . . . . . A 66 THR CA . 34602 1 680 . 1 . 1 70 70 THR CB C 13 69.600 0.000 . . . . . . A 66 THR CB . 34602 1 681 . 1 . 1 70 70 THR N N 15 110.160 0.000 . . . . . . A 66 THR N . 34602 1 682 . 1 . 1 71 71 CYS H H 1 7.705 0.000 . . . . . . A 67 CYS H . 34602 1 683 . 1 . 1 71 71 CYS HA H 1 4.214 0.000 . . . . . . A 67 CYS HA . 34602 1 684 . 1 . 1 71 71 CYS HB2 H 1 3.803 0.000 . . . . . . A 67 CYS HB2 . 34602 1 685 . 1 . 1 71 71 CYS HB3 H 1 2.386 0.000 . . . . . . A 67 CYS HB3 . 34602 1 686 . 1 . 1 71 71 CYS C C 13 173.360 0.000 . . . . . . A 67 CYS C . 34602 1 687 . 1 . 1 71 71 CYS CA C 13 60.170 0.000 . . . . . . A 67 CYS CA . 34602 1 688 . 1 . 1 71 71 CYS CB C 13 50.270 0.000 . . . . . . A 67 CYS CB . 34602 1 689 . 1 . 1 71 71 CYS N N 15 119.120 0.000 . . . . . . A 67 CYS N . 34602 1 690 . 1 . 1 72 72 LYS HB2 H 1 1.802 0.000 . . . . . . A 68 LYS HB2 . 34602 1 691 . 1 . 1 72 72 LYS HB3 H 1 1.734 0.000 . . . . . . A 68 LYS HB3 . 34602 1 692 . 1 . 1 72 72 LYS HG2 H 1 1.486 0.000 . . . . . . A 68 LYS HG2 . 34602 1 693 . 1 . 1 72 72 LYS HG3 H 1 1.445 0.000 . . . . . . A 68 LYS HG3 . 34602 1 694 . 1 . 1 72 72 LYS HD2 H 1 1.770 0.000 . . . . . . A 68 LYS HD2 . 34602 1 695 . 1 . 1 72 72 LYS HD3 H 1 1.770 0.000 . . . . . . A 68 LYS HD3 . 34602 1 696 . 1 . 1 72 72 LYS HE2 H 1 3.023 0.000 . . . . . . A 68 LYS HE2 . 34602 1 697 . 1 . 1 72 72 LYS HE3 H 1 3.023 0.000 . . . . . . A 68 LYS HE3 . 34602 1 698 . 1 . 1 72 72 LYS C C 13 175.730 0.000 . . . . . . A 68 LYS C . 34602 1 699 . 1 . 1 72 72 LYS CA C 13 54.660 0.000 . . . . . . A 68 LYS CA . 34602 1 700 . 1 . 1 73 73 VAL H H 1 9.142 0.000 . . . . . . A 69 VAL H . 34602 1 701 . 1 . 1 73 73 VAL HA H 1 4.561 0.000 . . . . . . A 69 VAL HA . 34602 1 702 . 1 . 1 73 73 VAL HB H 1 2.011 0.000 . . . . . . A 69 VAL HB . 34602 1 703 . 1 . 1 73 73 VAL HG11 H 1 0.932 0.000 . . . . . . A 69 VAL HG11 . 34602 1 704 . 1 . 1 73 73 VAL HG12 H 1 0.932 0.000 . . . . . . A 69 VAL HG12 . 34602 1 705 . 1 . 1 73 73 VAL HG13 H 1 0.932 0.000 . . . . . . A 69 VAL HG13 . 34602 1 706 . 1 . 1 73 73 VAL HG21 H 1 0.852 0.000 . . . . . . A 69 VAL HG21 . 34602 1 707 . 1 . 1 73 73 VAL HG22 H 1 0.852 0.000 . . . . . . A 69 VAL HG22 . 34602 1 708 . 1 . 1 73 73 VAL HG23 H 1 0.852 0.000 . . . . . . A 69 VAL HG23 . 34602 1 709 . 1 . 1 73 73 VAL CA C 13 65.650 0.000 . . . . . . A 69 VAL CA . 34602 1 710 . 1 . 1 73 73 VAL N N 15 123.680 0.000 . . . . . . A 69 VAL N . 34602 1 711 . 1 . 1 74 74 VAL HA H 1 3.721 0.000 . . . . . . A 70 VAL HA . 34602 1 712 . 1 . 1 74 74 VAL HB H 1 2.034 0.000 . . . . . . A 70 VAL HB . 34602 1 713 . 1 . 1 74 74 VAL HG11 H 1 0.946 0.000 . . . . . . A 70 VAL HG11 . 34602 1 714 . 1 . 1 74 74 VAL HG12 H 1 0.946 0.000 . . . . . . A 70 VAL HG12 . 34602 1 715 . 1 . 1 74 74 VAL HG13 H 1 0.946 0.000 . . . . . . A 70 VAL HG13 . 34602 1 716 . 1 . 1 74 74 VAL HG21 H 1 0.869 0.000 . . . . . . A 70 VAL HG21 . 34602 1 717 . 1 . 1 74 74 VAL HG22 H 1 0.869 0.000 . . . . . . A 70 VAL HG22 . 34602 1 718 . 1 . 1 74 74 VAL HG23 H 1 0.869 0.000 . . . . . . A 70 VAL HG23 . 34602 1 719 . 1 . 1 74 74 VAL C C 13 175.030 0.000 . . . . . . A 70 VAL C . 34602 1 720 . 1 . 1 74 74 VAL CA C 13 62.020 0.000 . . . . . . A 70 VAL CA . 34602 1 721 . 1 . 1 75 75 SER H H 1 7.566 0.000 . . . . . . A 71 SER H . 34602 1 722 . 1 . 1 75 75 SER HA H 1 5.052 0.000 . . . . . . A 71 SER HA . 34602 1 723 . 1 . 1 75 75 SER HB2 H 1 3.913 0.000 . . . . . . A 71 SER HB2 . 34602 1 724 . 1 . 1 75 75 SER HB3 H 1 3.470 0.000 . . . . . . A 71 SER HB3 . 34602 1 725 . 1 . 1 75 75 SER CA C 13 57.600 0.000 . . . . . . A 71 SER CA . 34602 1 726 . 1 . 1 75 75 SER N N 15 114.050 0.000 . . . . . . A 71 SER N . 34602 1 727 . 1 . 1 76 76 ARG H H 1 6.880 0.000 . . . . . . A 72 ARG H . 34602 1 728 . 1 . 1 76 76 ARG HA H 1 4.918 0.000 . . . . . . A 72 ARG HA . 34602 1 729 . 1 . 1 76 76 ARG HB2 H 1 1.933 0.000 . . . . . . A 72 ARG HB2 . 34602 1 730 . 1 . 1 76 76 ARG HB3 H 1 1.724 0.000 . . . . . . A 72 ARG HB3 . 34602 1 731 . 1 . 1 76 76 ARG HG2 H 1 1.588 0.000 . . . . . . A 72 ARG HG2 . 34602 1 732 . 1 . 1 76 76 ARG HG3 H 1 1.529 0.000 . . . . . . A 72 ARG HG3 . 34602 1 733 . 1 . 1 76 76 ARG HD2 H 1 3.204 0.000 . . . . . . A 72 ARG HD2 . 34602 1 734 . 1 . 1 76 76 ARG HD3 H 1 3.169 0.000 . . . . . . A 72 ARG HD3 . 34602 1 735 . 1 . 1 76 76 ARG HE H 1 7.785 0.000 . . . . . . A 72 ARG HE . 34602 1 736 . 1 . 1 76 76 ARG C C 13 174.790 0.000 . . . . . . A 72 ARG C . 34602 1 737 . 1 . 1 76 76 ARG CA C 13 56.180 0.000 . . . . . . A 72 ARG CA . 34602 1 738 . 1 . 1 76 76 ARG CB C 13 31.970 0.000 . . . . . . A 72 ARG CB . 34602 1 739 . 1 . 1 76 76 ARG NE N 15 85.780 0.000 . . . . . . A 72 ARG NE . 34602 1 740 . 1 . 1 77 77 PHE H H 1 7.705 0.000 . . . . . . A 73 PHE H . 34602 1 741 . 1 . 1 77 77 PHE HA H 1 5.392 0.000 . . . . . . A 73 PHE HA . 34602 1 742 . 1 . 1 77 77 PHE HB2 H 1 2.971 0.000 . . . . . . A 73 PHE HB2 . 34602 1 743 . 1 . 1 77 77 PHE HB3 H 1 2.876 0.000 . . . . . . A 73 PHE HB3 . 34602 1 744 . 1 . 1 77 77 PHE HD1 H 1 6.662 0.000 . . . . . . A 73 PHE HD1 . 34602 1 745 . 1 . 1 77 77 PHE HD2 H 1 6.662 0.000 . . . . . . A 73 PHE HD2 . 34602 1 746 . 1 . 1 77 77 PHE HE1 H 1 6.951 0.000 . . . . . . A 73 PHE HE1 . 34602 1 747 . 1 . 1 77 77 PHE HE2 H 1 6.951 0.000 . . . . . . A 73 PHE HE2 . 34602 1 748 . 1 . 1 77 77 PHE HZ H 1 6.798 0.000 . . . . . . A 73 PHE HZ . 34602 1 749 . 1 . 1 77 77 PHE C C 13 173.660 0.000 . . . . . . A 73 PHE C . 34602 1 750 . 1 . 1 77 77 PHE CA C 13 55.960 0.000 . . . . . . A 73 PHE CA . 34602 1 751 . 1 . 1 77 77 PHE N N 15 117.380 0.000 . . . . . . A 73 PHE N . 34602 1 752 . 1 . 1 78 78 THR H H 1 8.119 0.000 . . . . . . A 74 THR H . 34602 1 753 . 1 . 1 78 78 THR HA H 1 5.091 0.000 . . . . . . A 74 THR HA . 34602 1 754 . 1 . 1 78 78 THR HB H 1 4.168 0.000 . . . . . . A 74 THR HB . 34602 1 755 . 1 . 1 78 78 THR HG21 H 1 1.048 0.000 . . . . . . A 74 THR HG21 . 34602 1 756 . 1 . 1 78 78 THR HG22 H 1 1.048 0.000 . . . . . . A 74 THR HG22 . 34602 1 757 . 1 . 1 78 78 THR HG23 H 1 1.048 0.000 . . . . . . A 74 THR HG23 . 34602 1 758 . 1 . 1 78 78 THR C C 13 177.420 0.000 . . . . . . A 74 THR C . 34602 1 759 . 1 . 1 78 78 THR CA C 13 61.500 0.000 . . . . . . A 74 THR CA . 34602 1 760 . 1 . 1 78 78 THR CB C 13 70.550 0.000 . . . . . . A 74 THR CB . 34602 1 761 . 1 . 1 78 78 THR N N 15 108.540 0.000 . . . . . . A 74 THR N . 34602 1 762 . 1 . 1 79 79 ARG H H 1 8.910 0.000 . . . . . . A 75 ARG H . 34602 1 763 . 1 . 1 79 79 ARG HA H 1 5.213 0.000 . . . . . . A 75 ARG HA . 34602 1 764 . 1 . 1 79 79 ARG HB2 H 1 2.250 0.000 . . . . . . A 75 ARG HB2 . 34602 1 765 . 1 . 1 79 79 ARG HB3 H 1 2.106 0.000 . . . . . . A 75 ARG HB3 . 34602 1 766 . 1 . 1 79 79 ARG HG2 H 1 1.895 0.000 . . . . . . A 75 ARG HG2 . 34602 1 767 . 1 . 1 79 79 ARG HG3 H 1 1.771 0.000 . . . . . . A 75 ARG HG3 . 34602 1 768 . 1 . 1 79 79 ARG HD2 H 1 3.407 0.000 . . . . . . A 75 ARG HD2 . 34602 1 769 . 1 . 1 79 79 ARG HD3 H 1 3.379 0.000 . . . . . . A 75 ARG HD3 . 34602 1 770 . 1 . 1 79 79 ARG HE H 1 7.452 0.000 . . . . . . A 75 ARG HE . 34602 1 771 . 1 . 1 79 79 ARG C C 13 173.940 0.000 . . . . . . A 75 ARG C . 34602 1 772 . 1 . 1 79 79 ARG CA C 13 56.330 0.000 . . . . . . A 75 ARG CA . 34602 1 773 . 1 . 1 79 79 ARG CB C 13 27.860 0.000 . . . . . . A 75 ARG CB . 34602 1 774 . 1 . 1 79 79 ARG N N 15 128.200 0.000 . . . . . . A 75 ARG N . 34602 1 775 . 1 . 1 79 79 ARG NE N 15 84.190 0.000 . . . . . . A 75 ARG NE . 34602 1 776 . 1 . 1 80 80 CYS H H 1 8.250 0.000 . . . . . . A 76 CYS H . 34602 1 777 . 1 . 1 80 80 CYS HA H 1 5.408 0.000 . . . . . . A 76 CYS HA . 34602 1 778 . 1 . 1 80 80 CYS HB2 H 1 2.846 0.000 . . . . . . A 76 CYS HB2 . 34602 1 779 . 1 . 1 80 80 CYS HB3 H 1 2.539 0.000 . . . . . . A 76 CYS HB3 . 34602 1 780 . 1 . 1 80 80 CYS C C 13 172.910 0.000 . . . . . . A 76 CYS C . 34602 1 781 . 1 . 1 80 80 CYS CA C 13 56.130 0.000 . . . . . . A 76 CYS CA . 34602 1 782 . 1 . 1 80 80 CYS CB C 13 50.120 0.000 . . . . . . A 76 CYS CB . 34602 1 783 . 1 . 1 80 80 CYS N N 15 115.080 0.000 . . . . . . A 76 CYS N . 34602 1 784 . 1 . 1 81 81 GLY H H 1 8.489 0.000 . . . . . . A 77 GLY H . 34602 1 785 . 1 . 1 81 81 GLY HA2 H 1 3.163 0.000 . . . . . . A 77 GLY HA2 . 34602 1 786 . 1 . 1 81 81 GLY HA3 H 1 4.887 0.000 . . . . . . A 77 GLY HA3 . 34602 1 787 . 1 . 1 81 81 GLY C C 13 170.740 0.000 . . . . . . A 77 GLY C . 34602 1 788 . 1 . 1 81 81 GLY CA C 13 43.760 0.000 . . . . . . A 77 GLY CA . 34602 1 789 . 1 . 1 81 81 GLY N N 15 109.930 0.000 . . . . . . A 77 GLY N . 34602 1 790 . 1 . 1 82 82 ALA H H 1 8.343 0.000 . . . . . . A 78 ALA H . 34602 1 791 . 1 . 1 82 82 ALA HA H 1 5.016 0.000 . . . . . . A 78 ALA HA . 34602 1 792 . 1 . 1 82 82 ALA HB1 H 1 1.379 0.000 . . . . . . A 78 ALA HB1 . 34602 1 793 . 1 . 1 82 82 ALA HB2 H 1 1.379 0.000 . . . . . . A 78 ALA HB2 . 34602 1 794 . 1 . 1 82 82 ALA HB3 H 1 1.379 0.000 . . . . . . A 78 ALA HB3 . 34602 1 795 . 1 . 1 82 82 ALA C C 13 175.060 0.000 . . . . . . A 78 ALA C . 34602 1 796 . 1 . 1 82 82 ALA CA C 13 51.440 0.000 . . . . . . A 78 ALA CA . 34602 1 797 . 1 . 1 82 82 ALA CB C 13 23.010 0.000 . . . . . . A 78 ALA CB . 34602 1 798 . 1 . 1 82 82 ALA N N 15 118.930 0.000 . . . . . . A 78 ALA N . 34602 1 799 . 1 . 1 83 83 VAL H H 1 8.489 0.000 . . . . . . A 79 VAL H . 34602 1 800 . 1 . 1 83 83 VAL HA H 1 4.849 0.000 . . . . . . A 79 VAL HA . 34602 1 801 . 1 . 1 83 83 VAL HB H 1 1.702 0.000 . . . . . . A 79 VAL HB . 34602 1 802 . 1 . 1 83 83 VAL HG11 H 1 0.890 0.000 . . . . . . A 79 VAL HG11 . 34602 1 803 . 1 . 1 83 83 VAL HG12 H 1 0.890 0.000 . . . . . . A 79 VAL HG12 . 34602 1 804 . 1 . 1 83 83 VAL HG13 H 1 0.890 0.000 . . . . . . A 79 VAL HG13 . 34602 1 805 . 1 . 1 83 83 VAL HG21 H 1 0.717 0.000 . . . . . . A 79 VAL HG21 . 34602 1 806 . 1 . 1 83 83 VAL HG22 H 1 0.717 0.000 . . . . . . A 79 VAL HG22 . 34602 1 807 . 1 . 1 83 83 VAL HG23 H 1 0.717 0.000 . . . . . . A 79 VAL HG23 . 34602 1 808 . 1 . 1 83 83 VAL C C 13 173.730 0.000 . . . . . . A 79 VAL C . 34602 1 809 . 1 . 1 83 83 VAL CA C 13 61.540 0.000 . . . . . . A 79 VAL CA . 34602 1 810 . 1 . 1 83 83 VAL CB C 13 36.090 0.000 . . . . . . A 79 VAL CB . 34602 1 811 . 1 . 1 83 83 VAL N N 15 116.710 0.000 . . . . . . A 79 VAL N . 34602 1 812 . 1 . 1 84 84 ALA H H 1 9.506 0.000 . . . . . . A 80 ALA H . 34602 1 813 . 1 . 1 84 84 ALA HA H 1 5.473 0.000 . . . . . . A 80 ALA HA . 34602 1 814 . 1 . 1 84 84 ALA HB1 H 1 1.123 0.000 . . . . . . A 80 ALA HB1 . 34602 1 815 . 1 . 1 84 84 ALA HB2 H 1 1.123 0.000 . . . . . . A 80 ALA HB2 . 34602 1 816 . 1 . 1 84 84 ALA HB3 H 1 1.123 0.000 . . . . . . A 80 ALA HB3 . 34602 1 817 . 1 . 1 84 84 ALA C C 13 174.830 0.000 . . . . . . A 80 ALA C . 34602 1 818 . 1 . 1 84 84 ALA CA C 13 49.410 0.000 . . . . . . A 80 ALA CA . 34602 1 819 . 1 . 1 84 84 ALA CB C 13 22.200 0.000 . . . . . . A 80 ALA CB . 34602 1 820 . 1 . 1 84 84 ALA N N 15 129.440 0.000 . . . . . . A 80 ALA N . 34602 1 821 . 1 . 1 85 85 TYR H H 1 9.234 0.000 . . . . . . A 81 TYR H . 34602 1 822 . 1 . 1 85 85 TYR HA H 1 5.443 0.000 . . . . . . A 81 TYR HA . 34602 1 823 . 1 . 1 85 85 TYR HB2 H 1 2.800 0.000 . . . . . . A 81 TYR HB2 . 34602 1 824 . 1 . 1 85 85 TYR HB3 H 1 2.562 0.000 . . . . . . A 81 TYR HB3 . 34602 1 825 . 1 . 1 85 85 TYR HD1 H 1 6.290 0.000 . . . . . . A 81 TYR HD1 . 34602 1 826 . 1 . 1 85 85 TYR HD2 H 1 6.290 0.000 . . . . . . A 81 TYR HD2 . 34602 1 827 . 1 . 1 85 85 TYR HE1 H 1 6.260 0.000 . . . . . . A 81 TYR HE1 . 34602 1 828 . 1 . 1 85 85 TYR HE2 H 1 6.260 0.000 . . . . . . A 81 TYR HE2 . 34602 1 829 . 1 . 1 85 85 TYR C C 13 176.260 0.000 . . . . . . A 81 TYR C . 34602 1 830 . 1 . 1 85 85 TYR CA C 13 55.650 0.000 . . . . . . A 81 TYR CA . 34602 1 831 . 1 . 1 85 85 TYR CB C 13 44.830 0.000 . . . . . . A 81 TYR CB . 34602 1 832 . 1 . 1 85 85 TYR N N 15 119.800 0.000 . . . . . . A 81 TYR N . 34602 1 833 . 1 . 1 86 86 ASN H H 1 7.413 0.000 . . . . . . A 82 ASN H . 34602 1 834 . 1 . 1 86 86 ASN HA H 1 4.949 0.000 . . . . . . A 82 ASN HA . 34602 1 835 . 1 . 1 86 86 ASN HB2 H 1 3.711 0.000 . . . . . . A 82 ASN HB2 . 34602 1 836 . 1 . 1 86 86 ASN HB3 H 1 2.075 0.000 . . . . . . A 82 ASN HB3 . 34602 1 837 . 1 . 1 86 86 ASN HD21 H 1 7.939 0.000 . . . . . . A 82 ASN HD21 . 34602 1 838 . 1 . 1 86 86 ASN HD22 H 1 7.272 0.000 . . . . . . A 82 ASN HD22 . 34602 1 839 . 1 . 1 86 86 ASN C C 13 175.460 0.000 . . . . . . A 82 ASN C . 34602 1 840 . 1 . 1 86 86 ASN CA C 13 51.060 0.000 . . . . . . A 82 ASN CA . 34602 1 841 . 1 . 1 86 86 ASN CB C 13 39.320 0.000 . . . . . . A 82 ASN CB . 34602 1 842 . 1 . 1 86 86 ASN N N 15 125.470 0.000 . . . . . . A 82 ASN N . 34602 1 843 . 1 . 1 86 86 ASN ND2 N 15 111.770 0.000 . . . . . . A 82 ASN ND2 . 34602 1 844 . 1 . 1 87 87 GLY HA2 H 1 3.023 0.000 . . . . . . A 83 GLY HA2 . 34602 1 845 . 1 . 1 87 87 GLY HA3 H 1 4.245 0.000 . . . . . . A 83 GLY HA3 . 34602 1 846 . 1 . 1 87 87 GLY C C 13 172.740 0.000 . . . . . . A 83 GLY C . 34602 1 847 . 1 . 1 87 87 GLY CA C 13 45.610 0.000 . . . . . . A 83 GLY CA . 34602 1 848 . 1 . 1 88 88 SER H H 1 7.409 0.000 . . . . . . A 84 SER H . 34602 1 849 . 1 . 1 88 88 SER HA H 1 4.619 0.000 . . . . . . A 84 SER HA . 34602 1 850 . 1 . 1 88 88 SER HB2 H 1 3.725 0.000 . . . . . . A 84 SER HB2 . 34602 1 851 . 1 . 1 88 88 SER HB3 H 1 3.681 0.000 . . . . . . A 84 SER HB3 . 34602 1 852 . 1 . 1 88 88 SER C C 13 173.000 0.000 . . . . . . A 84 SER C . 34602 1 853 . 1 . 1 88 88 SER CA C 13 59.720 0.000 . . . . . . A 84 SER CA . 34602 1 854 . 1 . 1 88 88 SER CB C 13 65.040 0.000 . . . . . . A 84 SER CB . 34602 1 855 . 1 . 1 88 88 SER N N 15 112.520 0.000 . . . . . . A 84 SER N . 34602 1 856 . 1 . 1 89 89 LYS H H 1 8.303 0.000 . . . . . . A 85 LYS H . 34602 1 857 . 1 . 1 89 89 LYS HA H 1 4.738 0.000 . . . . . . A 85 LYS HA . 34602 1 858 . 1 . 1 89 89 LYS HB2 H 1 1.753 0.000 . . . . . . A 85 LYS HB2 . 34602 1 859 . 1 . 1 89 89 LYS HB3 H 1 1.725 0.000 . . . . . . A 85 LYS HB3 . 34602 1 860 . 1 . 1 89 89 LYS HG2 H 1 1.341 0.000 . . . . . . A 85 LYS HG2 . 34602 1 861 . 1 . 1 89 89 LYS HG3 H 1 1.297 0.000 . . . . . . A 85 LYS HG3 . 34602 1 862 . 1 . 1 89 89 LYS HD2 H 1 1.690 0.000 . . . . . . A 85 LYS HD2 . 34602 1 863 . 1 . 1 89 89 LYS HD3 H 1 1.690 0.000 . . . . . . A 85 LYS HD3 . 34602 1 864 . 1 . 1 89 89 LYS HE2 H 1 2.964 0.000 . . . . . . A 85 LYS HE2 . 34602 1 865 . 1 . 1 89 89 LYS HE3 H 1 2.964 0.000 . . . . . . A 85 LYS HE3 . 34602 1 866 . 1 . 1 89 89 LYS C C 13 173.370 0.000 . . . . . . A 85 LYS C . 34602 1 867 . 1 . 1 89 89 LYS CA C 13 55.340 0.000 . . . . . . A 85 LYS CA . 34602 1 868 . 1 . 1 89 89 LYS CB C 13 36.230 0.000 . . . . . . A 85 LYS CB . 34602 1 869 . 1 . 1 89 89 LYS N N 15 122.360 0.000 . . . . . . A 85 LYS N . 34602 1 870 . 1 . 1 90 90 TYR H H 1 8.395 0.000 . . . . . . A 86 TYR H . 34602 1 871 . 1 . 1 90 90 TYR HA H 1 5.298 0.000 . . . . . . A 86 TYR HA . 34602 1 872 . 1 . 1 90 90 TYR HB2 H 1 2.660 0.000 . . . . . . A 86 TYR HB2 . 34602 1 873 . 1 . 1 90 90 TYR HB3 H 1 2.418 0.000 . . . . . . A 86 TYR HB3 . 34602 1 874 . 1 . 1 90 90 TYR HD1 H 1 6.521 0.000 . . . . . . A 86 TYR HD1 . 34602 1 875 . 1 . 1 90 90 TYR HD2 H 1 6.521 0.000 . . . . . . A 86 TYR HD2 . 34602 1 876 . 1 . 1 90 90 TYR HE1 H 1 6.047 0.000 . . . . . . A 86 TYR HE1 . 34602 1 877 . 1 . 1 90 90 TYR HE2 H 1 6.047 0.000 . . . . . . A 86 TYR HE2 . 34602 1 878 . 1 . 1 90 90 TYR C C 13 175.770 0.000 . . . . . . A 86 TYR C . 34602 1 879 . 1 . 1 90 90 TYR CA C 13 57.670 0.000 . . . . . . A 86 TYR CA . 34602 1 880 . 1 . 1 90 90 TYR CB C 13 40.790 0.000 . . . . . . A 86 TYR CB . 34602 1 881 . 1 . 1 90 90 TYR N N 15 119.230 0.000 . . . . . . A 86 TYR N . 34602 1 882 . 1 . 1 91 91 GLN H H 1 9.152 0.000 . . . . . . A 87 GLN H . 34602 1 883 . 1 . 1 91 91 GLN HA H 1 4.710 0.000 . . . . . . A 87 GLN HA . 34602 1 884 . 1 . 1 91 91 GLN HB2 H 1 2.048 0.000 . . . . . . A 87 GLN HB2 . 34602 1 885 . 1 . 1 91 91 GLN HB3 H 1 1.782 0.000 . . . . . . A 87 GLN HB3 . 34602 1 886 . 1 . 1 91 91 GLN HG2 H 1 2.342 0.000 . . . . . . A 87 GLN HG2 . 34602 1 887 . 1 . 1 91 91 GLN HG3 H 1 2.306 0.000 . . . . . . A 87 GLN HG3 . 34602 1 888 . 1 . 1 91 91 GLN HE21 H 1 8.534 0.000 . . . . . . A 87 GLN HE21 . 34602 1 889 . 1 . 1 91 91 GLN HE22 H 1 7.164 0.000 . . . . . . A 87 GLN HE22 . 34602 1 890 . 1 . 1 91 91 GLN C C 13 174.260 0.000 . . . . . . A 87 GLN C . 34602 1 891 . 1 . 1 91 91 GLN CA C 13 54.180 0.000 . . . . . . A 87 GLN CA . 34602 1 892 . 1 . 1 91 91 GLN N N 15 121.580 0.000 . . . . . . A 87 GLN N . 34602 1 893 . 1 . 1 91 91 GLN NE2 N 15 117.390 0.000 . . . . . . A 87 GLN NE2 . 34602 1 894 . 1 . 1 92 92 GLY H H 1 9.148 0.000 . . . . . . A 88 GLY H . 34602 1 895 . 1 . 1 92 92 GLY HA2 H 1 4.148 0.000 . . . . . . A 88 GLY HA2 . 34602 1 896 . 1 . 1 92 92 GLY HA3 H 1 5.210 0.000 . . . . . . A 88 GLY HA3 . 34602 1 897 . 1 . 1 92 92 GLY C C 13 173.450 0.000 . . . . . . A 88 GLY C . 34602 1 898 . 1 . 1 92 92 GLY CA C 13 44.690 0.000 . . . . . . A 88 GLY CA . 34602 1 899 . 1 . 1 92 92 GLY N N 15 116.390 0.000 . . . . . . A 88 GLY N . 34602 1 900 . 1 . 1 93 93 GLY H H 1 8.752 0.000 . . . . . . A 89 GLY H . 34602 1 901 . 1 . 1 93 93 GLY HA2 H 1 3.871 0.000 . . . . . . A 89 GLY HA2 . 34602 1 902 . 1 . 1 93 93 GLY HA3 H 1 4.934 0.000 . . . . . . A 89 GLY HA3 . 34602 1 903 . 1 . 1 93 93 GLY C C 13 173.800 0.000 . . . . . . A 89 GLY C . 34602 1 904 . 1 . 1 93 93 GLY CA C 13 44.410 0.000 . . . . . . A 89 GLY CA . 34602 1 905 . 1 . 1 93 93 GLY N N 15 107.350 0.000 . . . . . . A 89 GLY N . 34602 1 906 . 1 . 1 94 94 THR H H 1 9.849 0.000 . . . . . . A 90 THR H . 34602 1 907 . 1 . 1 94 94 THR HA H 1 5.367 0.000 . . . . . . A 90 THR HA . 34602 1 908 . 1 . 1 94 94 THR HB H 1 4.433 0.000 . . . . . . A 90 THR HB . 34602 1 909 . 1 . 1 94 94 THR HG21 H 1 1.500 0.000 . . . . . . A 90 THR HG21 . 34602 1 910 . 1 . 1 94 94 THR HG22 H 1 1.500 0.000 . . . . . . A 90 THR HG22 . 34602 1 911 . 1 . 1 94 94 THR HG23 H 1 1.500 0.000 . . . . . . A 90 THR HG23 . 34602 1 912 . 1 . 1 94 94 THR C C 13 173.260 0.000 . . . . . . A 90 THR C . 34602 1 913 . 1 . 1 94 94 THR CA C 13 60.820 0.000 . . . . . . A 90 THR CA . 34602 1 914 . 1 . 1 94 94 THR CB C 13 73.560 0.000 . . . . . . A 90 THR CB . 34602 1 915 . 1 . 1 94 94 THR N N 15 113.370 0.000 . . . . . . A 90 THR N . 34602 1 916 . 1 . 1 95 95 GLY H H 1 8.138 0.000 . . . . . . A 91 GLY H . 34602 1 917 . 1 . 1 95 95 GLY HA2 H 1 3.812 0.000 . . . . . . A 91 GLY HA2 . 34602 1 918 . 1 . 1 95 95 GLY HA3 H 1 4.290 0.000 . . . . . . A 91 GLY HA3 . 34602 1 919 . 1 . 1 95 95 GLY C C 13 171.950 0.000 . . . . . . A 91 GLY C . 34602 1 920 . 1 . 1 95 95 GLY CA C 13 45.890 0.000 . . . . . . A 91 GLY CA . 34602 1 921 . 1 . 1 95 95 GLY N N 15 104.950 0.000 . . . . . . A 91 GLY N . 34602 1 922 . 1 . 1 96 96 LEU H H 1 8.729 0.000 . . . . . . A 92 LEU H . 34602 1 923 . 1 . 1 96 96 LEU HA H 1 4.091 0.000 . . . . . . A 92 LEU HA . 34602 1 924 . 1 . 1 96 96 LEU HB2 H 1 1.795 0.000 . . . . . . A 92 LEU HB2 . 34602 1 925 . 1 . 1 96 96 LEU HB3 H 1 1.677 0.000 . . . . . . A 92 LEU HB3 . 34602 1 926 . 1 . 1 96 96 LEU HG H 1 1.507 0.000 . . . . . . A 92 LEU HG . 34602 1 927 . 1 . 1 96 96 LEU HD11 H 1 1.088 0.000 . . . . . . A 92 LEU HD11 . 34602 1 928 . 1 . 1 96 96 LEU HD12 H 1 1.088 0.000 . . . . . . A 92 LEU HD12 . 34602 1 929 . 1 . 1 96 96 LEU HD13 H 1 1.088 0.000 . . . . . . A 92 LEU HD13 . 34602 1 930 . 1 . 1 96 96 LEU HD21 H 1 0.954 0.000 . . . . . . A 92 LEU HD21 . 34602 1 931 . 1 . 1 96 96 LEU HD22 H 1 0.954 0.000 . . . . . . A 92 LEU HD22 . 34602 1 932 . 1 . 1 96 96 LEU HD23 H 1 0.954 0.000 . . . . . . A 92 LEU HD23 . 34602 1 933 . 1 . 1 96 96 LEU C C 13 176.020 0.000 . . . . . . A 92 LEU C . 34602 1 934 . 1 . 1 96 96 LEU CA C 13 57.500 0.000 . . . . . . A 92 LEU CA . 34602 1 935 . 1 . 1 96 96 LEU CB C 13 43.290 0.000 . . . . . . A 92 LEU CB . 34602 1 936 . 1 . 1 96 96 LEU N N 15 118.140 0.000 . . . . . . A 92 LEU N . 34602 1 937 . 1 . 1 97 97 THR H H 1 7.075 0.000 . . . . . . A 93 THR H . 34602 1 938 . 1 . 1 97 97 THR HA H 1 4.693 0.000 . . . . . . A 93 THR HA . 34602 1 939 . 1 . 1 97 97 THR HB H 1 4.495 0.000 . . . . . . A 93 THR HB . 34602 1 940 . 1 . 1 97 97 THR HG21 H 1 1.164 0.000 . . . . . . A 93 THR HG21 . 34602 1 941 . 1 . 1 97 97 THR HG22 H 1 1.164 0.000 . . . . . . A 93 THR HG22 . 34602 1 942 . 1 . 1 97 97 THR HG23 H 1 1.164 0.000 . . . . . . A 93 THR HG23 . 34602 1 943 . 1 . 1 97 97 THR C C 13 174.870 0.000 . . . . . . A 93 THR C . 34602 1 944 . 1 . 1 97 97 THR CA C 13 58.940 0.000 . . . . . . A 93 THR CA . 34602 1 945 . 1 . 1 97 97 THR CB C 13 73.120 0.000 . . . . . . A 93 THR CB . 34602 1 946 . 1 . 1 97 97 THR N N 15 103.480 0.000 . . . . . . A 93 THR N . 34602 1 947 . 1 . 1 98 98 ARG H H 1 9.047 0.000 . . . . . . A 94 ARG H . 34602 1 948 . 1 . 1 98 98 ARG HA H 1 3.477 0.000 . . . . . . A 94 ARG HA . 34602 1 949 . 1 . 1 98 98 ARG HB2 H 1 1.484 0.000 . . . . . . A 94 ARG HB2 . 34602 1 950 . 1 . 1 98 98 ARG HB3 H 1 1.279 0.000 . . . . . . A 94 ARG HB3 . 34602 1 951 . 1 . 1 98 98 ARG HG2 H 1 1.893 0.000 . . . . . . A 94 ARG HG2 . 34602 1 952 . 1 . 1 98 98 ARG HG3 H 1 0.384 0.000 . . . . . . A 94 ARG HG3 . 34602 1 953 . 1 . 1 98 98 ARG HD2 H 1 0.629 0.000 . . . . . . A 94 ARG HD2 . 34602 1 954 . 1 . 1 98 98 ARG HD3 H 1 0.593 0.000 . . . . . . A 94 ARG HD3 . 34602 1 955 . 1 . 1 98 98 ARG HE H 1 6.614 0.000 . . . . . . A 94 ARG HE . 34602 1 956 . 1 . 1 98 98 ARG C C 13 177.220 0.000 . . . . . . A 94 ARG C . 34602 1 957 . 1 . 1 98 98 ARG CA C 13 60.680 0.000 . . . . . . A 94 ARG CA . 34602 1 958 . 1 . 1 98 98 ARG CB C 13 29.770 0.000 . . . . . . A 94 ARG CB . 34602 1 959 . 1 . 1 98 98 ARG N N 15 123.410 0.000 . . . . . . A 94 ARG N . 34602 1 960 . 1 . 1 98 98 ARG NE N 15 85.500 0.000 . . . . . . A 94 ARG NE . 34602 1 961 . 1 . 1 99 99 ARG H H 1 8.222 0.000 . . . . . . A 95 ARG H . 34602 1 962 . 1 . 1 99 99 ARG HA H 1 3.853 0.000 . . . . . . A 95 ARG HA . 34602 1 963 . 1 . 1 99 99 ARG HB2 H 1 1.715 0.000 . . . . . . A 95 ARG HB2 . 34602 1 964 . 1 . 1 99 99 ARG HB3 H 1 1.637 0.000 . . . . . . A 95 ARG HB3 . 34602 1 965 . 1 . 1 99 99 ARG HG2 H 1 1.556 0.000 . . . . . . A 95 ARG HG2 . 34602 1 966 . 1 . 1 99 99 ARG HG3 H 1 1.508 0.000 . . . . . . A 95 ARG HG3 . 34602 1 967 . 1 . 1 99 99 ARG HD2 H 1 3.162 0.000 . . . . . . A 95 ARG HD2 . 34602 1 968 . 1 . 1 99 99 ARG HD3 H 1 3.107 0.000 . . . . . . A 95 ARG HD3 . 34602 1 969 . 1 . 1 99 99 ARG HE H 1 7.378 0.000 . . . . . . A 95 ARG HE . 34602 1 970 . 1 . 1 99 99 ARG C C 13 177.700 0.000 . . . . . . A 95 ARG C . 34602 1 971 . 1 . 1 99 99 ARG CA C 13 58.460 0.000 . . . . . . A 95 ARG CA . 34602 1 972 . 1 . 1 99 99 ARG CB C 13 29.470 0.000 . . . . . . A 95 ARG CB . 34602 1 973 . 1 . 1 99 99 ARG N N 15 116.710 0.000 . . . . . . A 95 ARG N . 34602 1 974 . 1 . 1 99 99 ARG NE N 15 85.730 0.000 . . . . . . A 95 ARG NE . 34602 1 975 . 1 . 1 100 100 ALA H H 1 7.692 0.000 . . . . . . A 96 ALA H . 34602 1 976 . 1 . 1 100 100 ALA HA H 1 4.183 0.000 . . . . . . A 96 ALA HA . 34602 1 977 . 1 . 1 100 100 ALA HB1 H 1 1.509 0.000 . . . . . . A 96 ALA HB1 . 34602 1 978 . 1 . 1 100 100 ALA HB2 H 1 1.509 0.000 . . . . . . A 96 ALA HB2 . 34602 1 979 . 1 . 1 100 100 ALA HB3 H 1 1.509 0.000 . . . . . . A 96 ALA HB3 . 34602 1 980 . 1 . 1 100 100 ALA C C 13 180.750 0.000 . . . . . . A 96 ALA C . 34602 1 981 . 1 . 1 100 100 ALA CA C 13 54.890 0.000 . . . . . . A 96 ALA CA . 34602 1 982 . 1 . 1 100 100 ALA CB C 13 18.890 0.000 . . . . . . A 96 ALA CB . 34602 1 983 . 1 . 1 100 100 ALA N N 15 119.400 0.000 . . . . . . A 96 ALA N . 34602 1 984 . 1 . 1 101 101 ALA H H 1 8.074 0.000 . . . . . . A 97 ALA H . 34602 1 985 . 1 . 1 101 101 ALA HA H 1 3.704 0.000 . . . . . . A 97 ALA HA . 34602 1 986 . 1 . 1 101 101 ALA HB1 H 1 1.034 0.000 . . . . . . A 97 ALA HB1 . 34602 1 987 . 1 . 1 101 101 ALA HB2 H 1 1.034 0.000 . . . . . . A 97 ALA HB2 . 34602 1 988 . 1 . 1 101 101 ALA HB3 H 1 1.034 0.000 . . . . . . A 97 ALA HB3 . 34602 1 989 . 1 . 1 101 101 ALA C C 13 178.660 0.000 . . . . . . A 97 ALA C . 34602 1 990 . 1 . 1 101 101 ALA CA C 13 55.030 0.000 . . . . . . A 97 ALA CA . 34602 1 991 . 1 . 1 101 101 ALA CB C 13 17.420 0.000 . . . . . . A 97 ALA CB . 34602 1 992 . 1 . 1 101 101 ALA N N 15 121.350 0.000 . . . . . . A 97 ALA N . 34602 1 993 . 1 . 1 102 102 GLU H H 1 8.419 0.000 . . . . . . A 98 GLU H . 34602 1 994 . 1 . 1 102 102 GLU HA H 1 3.605 0.000 . . . . . . A 98 GLU HA . 34602 1 995 . 1 . 1 102 102 GLU HB2 H 1 1.798 0.000 . . . . . . A 98 GLU HB2 . 34602 1 996 . 1 . 1 102 102 GLU HB3 H 1 1.695 0.000 . . . . . . A 98 GLU HB3 . 34602 1 997 . 1 . 1 102 102 GLU HG2 H 1 2.132 0.000 . . . . . . A 98 GLU HG2 . 34602 1 998 . 1 . 1 102 102 GLU HG3 H 1 2.087 0.000 . . . . . . A 98 GLU HG3 . 34602 1 999 . 1 . 1 102 102 GLU C C 13 178.690 0.000 . . . . . . A 98 GLU C . 34602 1 1000 . 1 . 1 102 102 GLU CA C 13 59.550 0.000 . . . . . . A 98 GLU CA . 34602 1 1001 . 1 . 1 102 102 GLU CB C 13 29.100 0.000 . . . . . . A 98 GLU CB . 34602 1 1002 . 1 . 1 102 102 GLU N N 15 118.410 0.000 . . . . . . A 98 GLU N . 34602 1 1003 . 1 . 1 103 103 ASP H H 1 8.492 0.000 . . . . . . A 99 ASP H . 34602 1 1004 . 1 . 1 103 103 ASP HA H 1 4.270 0.000 . . . . . . A 99 ASP HA . 34602 1 1005 . 1 . 1 103 103 ASP HB2 H 1 2.706 0.000 . . . . . . A 99 ASP HB2 . 34602 1 1006 . 1 . 1 103 103 ASP HB3 H 1 2.569 0.000 . . . . . . A 99 ASP HB3 . 34602 1 1007 . 1 . 1 103 103 ASP C C 13 178.280 0.000 . . . . . . A 99 ASP C . 34602 1 1008 . 1 . 1 103 103 ASP CA C 13 57.290 0.000 . . . . . . A 99 ASP CA . 34602 1 1009 . 1 . 1 103 103 ASP CB C 13 39.760 0.000 . . . . . . A 99 ASP CB . 34602 1 1010 . 1 . 1 103 103 ASP N N 15 119.280 0.000 . . . . . . A 99 ASP N . 34602 1 1011 . 1 . 1 104 104 ASP H H 1 7.889 0.000 . . . . . . A 100 ASP H . 34602 1 1012 . 1 . 1 104 104 ASP HA H 1 4.460 0.000 . . . . . . A 100 ASP HA . 34602 1 1013 . 1 . 1 104 104 ASP HB2 H 1 2.966 0.000 . . . . . . A 100 ASP HB2 . 34602 1 1014 . 1 . 1 104 104 ASP HB3 H 1 2.887 0.000 . . . . . . A 100 ASP HB3 . 34602 1 1015 . 1 . 1 104 104 ASP C C 13 177.270 0.000 . . . . . . A 100 ASP C . 34602 1 1016 . 1 . 1 104 104 ASP CA C 13 58.080 0.000 . . . . . . A 100 ASP CA . 34602 1 1017 . 1 . 1 104 104 ASP CB C 13 43.290 0.000 . . . . . . A 100 ASP CB . 34602 1 1018 . 1 . 1 104 104 ASP N N 15 119.240 0.000 . . . . . . A 100 ASP N . 34602 1 1019 . 1 . 1 105 105 ALA H H 1 7.873 0.000 . . . . . . A 101 ALA H . 34602 1 1020 . 1 . 1 105 105 ALA HA H 1 3.874 0.000 . . . . . . A 101 ALA HA . 34602 1 1021 . 1 . 1 105 105 ALA HB1 H 1 1.315 0.000 . . . . . . A 101 ALA HB1 . 34602 1 1022 . 1 . 1 105 105 ALA HB2 H 1 1.315 0.000 . . . . . . A 101 ALA HB2 . 34602 1 1023 . 1 . 1 105 105 ALA HB3 H 1 1.315 0.000 . . . . . . A 101 ALA HB3 . 34602 1 1024 . 1 . 1 105 105 ALA C C 13 179.160 0.000 . . . . . . A 101 ALA C . 34602 1 1025 . 1 . 1 105 105 ALA CA C 13 55.510 0.000 . . . . . . A 101 ALA CA . 34602 1 1026 . 1 . 1 105 105 ALA CB C 13 17.860 0.000 . . . . . . A 101 ALA CB . 34602 1 1027 . 1 . 1 105 105 ALA N N 15 118.970 0.000 . . . . . . A 101 ALA N . 34602 1 1028 . 1 . 1 106 106 VAL H H 1 7.943 0.000 . . . . . . A 102 VAL H . 34602 1 1029 . 1 . 1 106 106 VAL HA H 1 3.509 0.000 . . . . . . A 102 VAL HA . 34602 1 1030 . 1 . 1 106 106 VAL HB H 1 2.047 0.000 . . . . . . A 102 VAL HB . 34602 1 1031 . 1 . 1 106 106 VAL HG11 H 1 0.967 0.000 . . . . . . A 102 VAL HG11 . 34602 1 1032 . 1 . 1 106 106 VAL HG12 H 1 0.967 0.000 . . . . . . A 102 VAL HG12 . 34602 1 1033 . 1 . 1 106 106 VAL HG13 H 1 0.967 0.000 . . . . . . A 102 VAL HG13 . 34602 1 1034 . 1 . 1 106 106 VAL HG21 H 1 0.899 0.000 . . . . . . A 102 VAL HG21 . 34602 1 1035 . 1 . 1 106 106 VAL HG22 H 1 0.899 0.000 . . . . . . A 102 VAL HG22 . 34602 1 1036 . 1 . 1 106 106 VAL HG23 H 1 0.899 0.000 . . . . . . A 102 VAL HG23 . 34602 1 1037 . 1 . 1 106 106 VAL C C 13 178.800 0.000 . . . . . . A 102 VAL C . 34602 1 1038 . 1 . 1 106 106 VAL CA C 13 66.090 0.000 . . . . . . A 102 VAL CA . 34602 1 1039 . 1 . 1 106 106 VAL CB C 13 31.380 0.000 . . . . . . A 102 VAL CB . 34602 1 1040 . 1 . 1 106 106 VAL N N 15 113.610 0.000 . . . . . . A 102 VAL N . 34602 1 1041 . 1 . 1 107 107 ASN H H 1 8.340 0.000 . . . . . . A 103 ASN H . 34602 1 1042 . 1 . 1 107 107 ASN HA H 1 4.456 0.000 . . . . . . A 103 ASN HA . 34602 1 1043 . 1 . 1 107 107 ASN HB2 H 1 3.047 0.000 . . . . . . A 103 ASN HB2 . 34602 1 1044 . 1 . 1 107 107 ASN HB3 H 1 2.824 0.000 . . . . . . A 103 ASN HB3 . 34602 1 1045 . 1 . 1 107 107 ASN HD21 H 1 7.657 0.000 . . . . . . A 103 ASN HD21 . 34602 1 1046 . 1 . 1 107 107 ASN HD22 H 1 6.871 0.000 . . . . . . A 103 ASN HD22 . 34602 1 1047 . 1 . 1 107 107 ASN C C 13 177.730 0.000 . . . . . . A 103 ASN C . 34602 1 1048 . 1 . 1 107 107 ASN CA C 13 55.790 0.000 . . . . . . A 103 ASN CA . 34602 1 1049 . 1 . 1 107 107 ASN CB C 13 38.290 0.000 . . . . . . A 103 ASN CB . 34602 1 1050 . 1 . 1 107 107 ASN N N 15 118.610 0.000 . . . . . . A 103 ASN N . 34602 1 1051 . 1 . 1 107 107 ASN ND2 N 15 112.450 0.000 . . . . . . A 103 ASN ND2 . 34602 1 1052 . 1 . 1 108 108 ARG H H 1 7.569 0.000 . . . . . . A 104 ARG H . 34602 1 1053 . 1 . 1 108 108 ARG HA H 1 4.190 0.000 . . . . . . A 104 ARG HA . 34602 1 1054 . 1 . 1 108 108 ARG HB2 H 1 1.974 0.000 . . . . . . A 104 ARG HB2 . 34602 1 1055 . 1 . 1 108 108 ARG HB3 H 1 1.690 0.000 . . . . . . A 104 ARG HB3 . 34602 1 1056 . 1 . 1 108 108 ARG HG2 H 1 1.920 0.000 . . . . . . A 104 ARG HG2 . 34602 1 1057 . 1 . 1 108 108 ARG HG3 H 1 1.760 0.000 . . . . . . A 104 ARG HG3 . 34602 1 1058 . 1 . 1 108 108 ARG HD2 H 1 3.313 0.000 . . . . . . A 104 ARG HD2 . 34602 1 1059 . 1 . 1 108 108 ARG HD3 H 1 3.243 0.000 . . . . . . A 104 ARG HD3 . 34602 1 1060 . 1 . 1 108 108 ARG HE H 1 7.901 0.000 . . . . . . A 104 ARG HE . 34602 1 1061 . 1 . 1 108 108 ARG C C 13 175.830 0.000 . . . . . . A 104 ARG C . 34602 1 1062 . 1 . 1 108 108 ARG CA C 13 57.460 0.000 . . . . . . A 104 ARG CA . 34602 1 1063 . 1 . 1 108 108 ARG N N 15 117.180 0.000 . . . . . . A 104 ARG N . 34602 1 1064 . 1 . 1 108 108 ARG NE N 15 87.100 0.000 . . . . . . A 104 ARG NE . 34602 1 1065 . 1 . 1 109 109 LEU H H 1 7.604 0.000 . . . . . . A 105 LEU H . 34602 1 1066 . 1 . 1 109 109 LEU HA H 1 4.489 0.000 . . . . . . A 105 LEU HA . 34602 1 1067 . 1 . 1 109 109 LEU HB2 H 1 1.869 0.000 . . . . . . A 105 LEU HB2 . 34602 1 1068 . 1 . 1 109 109 LEU HB3 H 1 1.274 0.000 . . . . . . A 105 LEU HB3 . 34602 1 1069 . 1 . 1 109 109 LEU HG H 1 1.309 0.000 . . . . . . A 105 LEU HG . 34602 1 1070 . 1 . 1 109 109 LEU HD11 H 1 0.852 0.000 . . . . . . A 105 LEU HD11 . 34602 1 1071 . 1 . 1 109 109 LEU HD12 H 1 0.852 0.000 . . . . . . A 105 LEU HD12 . 34602 1 1072 . 1 . 1 109 109 LEU HD13 H 1 0.852 0.000 . . . . . . A 105 LEU HD13 . 34602 1 1073 . 1 . 1 109 109 LEU HD21 H 1 0.662 0.000 . . . . . . A 105 LEU HD21 . 34602 1 1074 . 1 . 1 109 109 LEU HD22 H 1 0.662 0.000 . . . . . . A 105 LEU HD22 . 34602 1 1075 . 1 . 1 109 109 LEU HD23 H 1 0.662 0.000 . . . . . . A 105 LEU HD23 . 34602 1 1076 . 1 . 1 109 109 LEU C C 13 174.150 0.000 . . . . . . A 105 LEU C . 34602 1 1077 . 1 . 1 109 109 LEU CA C 13 53.730 0.000 . . . . . . A 105 LEU CA . 34602 1 1078 . 1 . 1 109 109 LEU CB C 13 43.800 0.000 . . . . . . A 105 LEU CB . 34602 1 1079 . 1 . 1 109 109 LEU N N 15 122.300 0.000 . . . . . . A 105 LEU N . 34602 1 1080 . 1 . 1 110 110 GLU H H 1 8.446 0.000 . . . . . . A 106 GLU H . 34602 1 1081 . 1 . 1 110 110 GLU HA H 1 4.073 0.000 . . . . . . A 106 GLU HA . 34602 1 1082 . 1 . 1 110 110 GLU HB2 H 1 2.075 0.000 . . . . . . A 106 GLU HB2 . 34602 1 1083 . 1 . 1 110 110 GLU HB3 H 1 1.990 0.000 . . . . . . A 106 GLU HB3 . 34602 1 1084 . 1 . 1 110 110 GLU HG2 H 1 2.236 0.000 . . . . . . A 106 GLU HG2 . 34602 1 1085 . 1 . 1 110 110 GLU HG3 H 1 2.204 0.000 . . . . . . A 106 GLU HG3 . 34602 1 1086 . 1 . 1 110 110 GLU C C 13 177.250 0.000 . . . . . . A 106 GLU C . 34602 1 1087 . 1 . 1 110 110 GLU CA C 13 57.810 0.000 . . . . . . A 106 GLU CA . 34602 1 1088 . 1 . 1 110 110 GLU N N 15 125.030 0.000 . . . . . . A 106 GLU N . 34602 1 1089 . 1 . 1 111 111 GLY H H 1 8.799 0.000 . . . . . . A 107 GLY H . 34602 1 1090 . 1 . 1 111 111 GLY HA2 H 1 3.731 0.000 . . . . . . A 107 GLY HA2 . 34602 1 1091 . 1 . 1 111 111 GLY HA3 H 1 4.210 0.000 . . . . . . A 107 GLY HA3 . 34602 1 1092 . 1 . 1 111 111 GLY C C 13 174.380 0.000 . . . . . . A 107 GLY C . 34602 1 1093 . 1 . 1 111 111 GLY CA C 13 45.170 0.000 . . . . . . A 107 GLY CA . 34602 1 1094 . 1 . 1 111 111 GLY N N 15 112.660 0.000 . . . . . . A 107 GLY N . 34602 1 1095 . 1 . 1 112 112 GLY H H 1 8.382 0.000 . . . . . . A 108 GLY H . 34602 1 1096 . 1 . 1 112 112 GLY HA2 H 1 3.469 0.000 . . . . . . A 108 GLY HA2 . 34602 1 1097 . 1 . 1 112 112 GLY HA3 H 1 3.737 0.000 . . . . . . A 108 GLY HA3 . 34602 1 1098 . 1 . 1 112 112 GLY C C 13 171.840 0.000 . . . . . . A 108 GLY C . 34602 1 1099 . 1 . 1 112 112 GLY CA C 13 45.540 0.000 . . . . . . A 108 GLY CA . 34602 1 1100 . 1 . 1 112 112 GLY N N 15 105.220 0.000 . . . . . . A 108 GLY N . 34602 1 1101 . 1 . 1 113 113 ARG H H 1 8.261 0.000 . . . . . . A 109 ARG H . 34602 1 1102 . 1 . 1 113 113 ARG HA H 1 4.785 0.000 . . . . . . A 109 ARG HA . 34602 1 1103 . 1 . 1 113 113 ARG HB2 H 1 1.855 0.000 . . . . . . A 109 ARG HB2 . 34602 1 1104 . 1 . 1 113 113 ARG HB3 H 1 1.749 0.000 . . . . . . A 109 ARG HB3 . 34602 1 1105 . 1 . 1 113 113 ARG HG2 H 1 1.611 0.000 . . . . . . A 109 ARG HG2 . 34602 1 1106 . 1 . 1 113 113 ARG HG3 H 1 1.583 0.000 . . . . . . A 109 ARG HG3 . 34602 1 1107 . 1 . 1 113 113 ARG HD2 H 1 3.250 0.000 . . . . . . A 109 ARG HD2 . 34602 1 1108 . 1 . 1 113 113 ARG HD3 H 1 3.210 0.000 . . . . . . A 109 ARG HD3 . 34602 1 1109 . 1 . 1 113 113 ARG HE H 1 7.274 0.000 . . . . . . A 109 ARG HE . 34602 1 1110 . 1 . 1 113 113 ARG C C 13 175.760 0.000 . . . . . . A 109 ARG C . 34602 1 1111 . 1 . 1 113 113 ARG CA C 13 53.730 0.000 . . . . . . A 109 ARG CA . 34602 1 1112 . 1 . 1 113 113 ARG CB C 13 32.770 0.000 . . . . . . A 109 ARG CB . 34602 1 1113 . 1 . 1 113 113 ARG N N 15 118.170 0.000 . . . . . . A 109 ARG N . 34602 1 1114 . 1 . 1 113 113 ARG NE N 15 85.180 0.000 . . . . . . A 109 ARG NE . 34602 1 1115 . 1 . 1 114 114 ILE H H 1 9.028 0.000 . . . . . . A 110 ILE H . 34602 1 1116 . 1 . 1 114 114 ILE HA H 1 4.538 0.000 . . . . . . A 110 ILE HA . 34602 1 1117 . 1 . 1 114 114 ILE HB H 1 2.088 0.000 . . . . . . A 110 ILE HB . 34602 1 1118 . 1 . 1 114 114 ILE HG12 H 1 1.175 0.000 . . . . . . A 110 ILE HG12 . 34602 1 1119 . 1 . 1 114 114 ILE HG13 H 1 1.266 0.000 . . . . . . A 110 ILE HG13 . 34602 1 1120 . 1 . 1 114 114 ILE HG21 H 1 1.067 0.000 . . . . . . A 110 ILE HG21 . 34602 1 1121 . 1 . 1 114 114 ILE HG22 H 1 1.067 0.000 . . . . . . A 110 ILE HG22 . 34602 1 1122 . 1 . 1 114 114 ILE HG23 H 1 1.067 0.000 . . . . . . A 110 ILE HG23 . 34602 1 1123 . 1 . 1 114 114 ILE HD11 H 1 0.900 0.000 . . . . . . A 110 ILE HD11 . 34602 1 1124 . 1 . 1 114 114 ILE HD12 H 1 0.900 0.000 . . . . . . A 110 ILE HD12 . 34602 1 1125 . 1 . 1 114 114 ILE HD13 H 1 0.900 0.000 . . . . . . A 110 ILE HD13 . 34602 1 1126 . 1 . 1 114 114 ILE C C 13 177.950 0.000 . . . . . . A 110 ILE C . 34602 1 1127 . 1 . 1 114 114 ILE CA C 13 59.590 0.000 . . . . . . A 110 ILE CA . 34602 1 1128 . 1 . 1 114 114 ILE CB C 13 35.390 0.000 . . . . . . A 110 ILE CB . 34602 1 1129 . 1 . 1 114 114 ILE N N 15 122.690 0.000 . . . . . . A 110 ILE N . 34602 1 1130 . 1 . 1 115 115 VAL H H 1 8.879 0.000 . . . . . . A 111 VAL H . 34602 1 1131 . 1 . 1 115 115 VAL HA H 1 4.772 0.000 . . . . . . A 111 VAL HA . 34602 1 1132 . 1 . 1 115 115 VAL HB H 1 2.570 0.000 . . . . . . A 111 VAL HB . 34602 1 1133 . 1 . 1 115 115 VAL HG11 H 1 1.070 0.000 . . . . . . A 111 VAL HG11 . 34602 1 1134 . 1 . 1 115 115 VAL HG12 H 1 1.070 0.000 . . . . . . A 111 VAL HG12 . 34602 1 1135 . 1 . 1 115 115 VAL HG13 H 1 1.070 0.000 . . . . . . A 111 VAL HG13 . 34602 1 1136 . 1 . 1 115 115 VAL HG21 H 1 0.684 0.000 . . . . . . A 111 VAL HG21 . 34602 1 1137 . 1 . 1 115 115 VAL HG22 H 1 0.684 0.000 . . . . . . A 111 VAL HG22 . 34602 1 1138 . 1 . 1 115 115 VAL HG23 H 1 0.684 0.000 . . . . . . A 111 VAL HG23 . 34602 1 1139 . 1 . 1 115 115 VAL C C 13 175.060 0.000 . . . . . . A 111 VAL C . 34602 1 1140 . 1 . 1 115 115 VAL CA C 13 60.610 0.000 . . . . . . A 111 VAL CA . 34602 1 1141 . 1 . 1 115 115 VAL CB C 13 33.720 0.000 . . . . . . A 111 VAL CB . 34602 1 1142 . 1 . 1 115 115 VAL N N 15 117.780 0.000 . . . . . . A 111 VAL N . 34602 1 1143 . 1 . 1 116 116 ASN H H 1 7.930 0.000 . . . . . . A 112 ASN H . 34602 1 1144 . 1 . 1 116 116 ASN HA H 1 4.822 0.000 . . . . . . A 112 ASN HA . 34602 1 1145 . 1 . 1 116 116 ASN HB2 H 1 3.493 0.000 . . . . . . A 112 ASN HB2 . 34602 1 1146 . 1 . 1 116 116 ASN HB3 H 1 2.301 0.000 . . . . . . A 112 ASN HB3 . 34602 1 1147 . 1 . 1 116 116 ASN HD21 H 1 7.129 0.000 . . . . . . A 112 ASN HD21 . 34602 1 1148 . 1 . 1 116 116 ASN HD22 H 1 6.888 0.000 . . . . . . A 112 ASN HD22 . 34602 1 1149 . 1 . 1 116 116 ASN C C 13 173.510 0.000 . . . . . . A 112 ASN C . 34602 1 1150 . 1 . 1 116 116 ASN CA C 13 52.630 0.000 . . . . . . A 112 ASN CA . 34602 1 1151 . 1 . 1 116 116 ASN CB C 13 43.400 0.000 . . . . . . A 112 ASN CB . 34602 1 1152 . 1 . 1 116 116 ASN N N 15 120.390 0.000 . . . . . . A 112 ASN N . 34602 1 1153 . 1 . 1 116 116 ASN ND2 N 15 108.640 0.000 . . . . . . A 112 ASN ND2 . 34602 1 1154 . 1 . 1 117 117 TRP H H 1 8.267 0.000 . . . . . . A 113 TRP H . 34602 1 1155 . 1 . 1 117 117 TRP HA H 1 5.146 0.000 . . . . . . A 113 TRP HA . 34602 1 1156 . 1 . 1 117 117 TRP HB2 H 1 3.420 0.000 . . . . . . A 113 TRP HB2 . 34602 1 1157 . 1 . 1 117 117 TRP HB3 H 1 3.276 0.000 . . . . . . A 113 TRP HB3 . 34602 1 1158 . 1 . 1 117 117 TRP HD1 H 1 6.950 0.000 . . . . . . A 113 TRP HD1 . 34602 1 1159 . 1 . 1 117 117 TRP HE1 H 1 10.070 0.000 . . . . . . A 113 TRP HE1 . 34602 1 1160 . 1 . 1 117 117 TRP HE3 H 1 7.156 0.000 . . . . . . A 113 TRP HE3 . 34602 1 1161 . 1 . 1 117 117 TRP HZ2 H 1 6.824 0.000 . . . . . . A 113 TRP HZ2 . 34602 1 1162 . 1 . 1 117 117 TRP HZ3 H 1 7.391 0.000 . . . . . . A 113 TRP HZ3 . 34602 1 1163 . 1 . 1 117 117 TRP HH2 H 1 7.084 0.000 . . . . . . A 113 TRP HH2 . 34602 1 1164 . 1 . 1 117 117 TRP C C 13 172.880 0.000 . . . . . . A 113 TRP C . 34602 1 1165 . 1 . 1 117 117 TRP CA C 13 57.020 0.000 . . . . . . A 113 TRP CA . 34602 1 1166 . 1 . 1 117 117 TRP CB C 13 31.020 0.000 . . . . . . A 113 TRP CB . 34602 1 1167 . 1 . 1 117 117 TRP N N 15 117.700 0.000 . . . . . . A 113 TRP N . 34602 1 1168 . 1 . 1 117 117 TRP NE1 N 15 130.690 0.000 . . . . . . A 113 TRP NE1 . 34602 1 1169 . 1 . 1 118 118 ALA H H 1 8.822 0.000 . . . . . . A 114 ALA H . 34602 1 1170 . 1 . 1 118 118 ALA HA H 1 3.652 0.000 . . . . . . A 114 ALA HA . 34602 1 1171 . 1 . 1 118 118 ALA HB1 H 1 0.932 0.000 . . . . . . A 114 ALA HB1 . 34602 1 1172 . 1 . 1 118 118 ALA HB2 H 1 0.932 0.000 . . . . . . A 114 ALA HB2 . 34602 1 1173 . 1 . 1 118 118 ALA HB3 H 1 0.932 0.000 . . . . . . A 114 ALA HB3 . 34602 1 1174 . 1 . 1 118 118 ALA C C 13 174.530 0.000 . . . . . . A 114 ALA C . 34602 1 1175 . 1 . 1 118 118 ALA CA C 13 52.770 0.000 . . . . . . A 114 ALA CA . 34602 1 1176 . 1 . 1 118 118 ALA CB C 13 22.140 0.000 . . . . . . A 114 ALA CB . 34602 1 1177 . 1 . 1 118 118 ALA N N 15 119.840 0.000 . . . . . . A 114 ALA N . 34602 1 1178 . 1 . 1 119 119 CYS H H 1 8.483 0.000 . . . . . . A 115 CYS H . 34602 1 1179 . 1 . 1 119 119 CYS HA H 1 5.473 0.000 . . . . . . A 115 CYS HA . 34602 1 1180 . 1 . 1 119 119 CYS HB2 H 1 3.257 0.000 . . . . . . A 115 CYS HB2 . 34602 1 1181 . 1 . 1 119 119 CYS HB3 H 1 3.148 0.000 . . . . . . A 115 CYS HB3 . 34602 1 1182 . 1 . 1 119 119 CYS C C 13 174.090 0.000 . . . . . . A 115 CYS C . 34602 1 1183 . 1 . 1 119 119 CYS CA C 13 56.500 0.000 . . . . . . A 115 CYS CA . 34602 1 1184 . 1 . 1 119 119 CYS CB C 13 49.440 0.000 . . . . . . A 115 CYS CB . 34602 1 1185 . 1 . 1 119 119 CYS N N 15 115.850 0.000 . . . . . . A 115 CYS N . 34602 1 1186 . 1 . 1 120 120 ASN H H 1 9.085 0.000 . . . . . . A 116 ASN H . 34602 1 1187 . 1 . 1 120 120 ASN HA H 1 4.839 0.000 . . . . . . A 116 ASN HA . 34602 1 1188 . 1 . 1 120 120 ASN HB2 H 1 3.007 0.000 . . . . . . A 116 ASN HB2 . 34602 1 1189 . 1 . 1 120 120 ASN HB3 H 1 2.944 0.000 . . . . . . A 116 ASN HB3 . 34602 1 1190 . 1 . 1 120 120 ASN HD21 H 1 7.283 0.000 . . . . . . A 116 ASN HD21 . 34602 1 1191 . 1 . 1 120 120 ASN HD22 H 1 6.963 0.000 . . . . . . A 116 ASN HD22 . 34602 1 1192 . 1 . 1 120 120 ASN C C 13 180.480 0.000 . . . . . . A 116 ASN C . 34602 1 1193 . 1 . 1 120 120 ASN CA C 13 55.990 0.000 . . . . . . A 116 ASN CA . 34602 1 1194 . 1 . 1 120 120 ASN CB C 13 40.120 0.000 . . . . . . A 116 ASN CB . 34602 1 1195 . 1 . 1 120 120 ASN N N 15 124.560 0.000 . . . . . . A 116 ASN N . 34602 1 1196 . 1 . 1 120 120 ASN ND2 N 15 112.660 0.000 . . . . . . A 116 ASN ND2 . 34602 1 stop_ save_