data_36445 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36445 _Entry.Title ; Solution structure of the chimeric peptide of the first SURP domain of Human SF3A1 and the interacting region of SF1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-21 _Entry.Accession_date 2021-10-11 _Entry.Last_release_date 2021-10-11 _Entry.Original_release_date 2021-10-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.6.0 _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 Y. Muto Y. . . . 36445 2 K. Kuwasako K. . . . 36445 3 M. Takizawa M. . . . 36445 4 N. Kobayashi N. . . . 36445 5 T. Sakamoto T. . . . 36445 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SF1 . 36445 SF3A1 . 36445 SPLICING . 36445 SURP . 36445 'U2 snRNP' . 36445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 36445 '15N chemical shifts' 98 36445 '1H chemical shifts' 676 36445 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-10-03 . original BMRB . 36445 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7VH9 'BMRB Entry Tracking System' 36445 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36445 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36173164 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for the interaction between the first SURP domain of the SF3A1 subunit in U2 snRNP and the human splicing factor SF1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 31 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 e4437 _Citation.Page_last e4437 _Citation.Year 2022 _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 Nobukazu Nameki N. . . . 36445 1 2 Masayuki Takizawa M. . . . 36445 1 3 Takayuki Suzuki T. . . . 36445 1 4 Shoko Tani S. . . . 36445 1 5 Naohiro Kobayashi N. . . . 36445 1 6 Taiichi Sakamoto T. . . . 36445 1 7 Yutaka Muto Y. . . . 36445 1 8 Kanako Kuwasako K. . . . 36445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 36445 _Assembly.ID 1 _Assembly.Name 'Splicing factor 3A subunit 1,Splicing factor 1' _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 . . . . . . 36445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36445 _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 ; GEVRNIVDKTASFVARNGPE FEARIRQNEINNPKFNFLNP NDPYHAYYRHKVSEFKEGKA QEPSSGSSGSSGSSGSSGQR PGDPQSAQDKARMDKEYLSL MAELGEAPVPA ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12133.198 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BBP common 36445 1 'Mammalian branch point-binding protein' common 36445 1 'SAP 114' common 36445 1 SF3a120 common 36445 1 'Spliceosome-associated protein 114' common 36445 1 'Transcription factor ZFM1' common 36445 1 'Zinc finger gene in MEN1 locus' common 36445 1 'Zinc finger protein 162' common 36445 1 mBBP common 36445 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 36445 1 2 2 GLU . 36445 1 3 3 VAL . 36445 1 4 4 ARG . 36445 1 5 5 ASN . 36445 1 6 6 ILE . 36445 1 7 7 VAL . 36445 1 8 8 ASP . 36445 1 9 9 LYS . 36445 1 10 10 THR . 36445 1 11 11 ALA . 36445 1 12 12 SER . 36445 1 13 13 PHE . 36445 1 14 14 VAL . 36445 1 15 15 ALA . 36445 1 16 16 ARG . 36445 1 17 17 ASN . 36445 1 18 18 GLY . 36445 1 19 19 PRO . 36445 1 20 20 GLU . 36445 1 21 21 PHE . 36445 1 22 22 GLU . 36445 1 23 23 ALA . 36445 1 24 24 ARG . 36445 1 25 25 ILE . 36445 1 26 26 ARG . 36445 1 27 27 GLN . 36445 1 28 28 ASN . 36445 1 29 29 GLU . 36445 1 30 30 ILE . 36445 1 31 31 ASN . 36445 1 32 32 ASN . 36445 1 33 33 PRO . 36445 1 34 34 LYS . 36445 1 35 35 PHE . 36445 1 36 36 ASN . 36445 1 37 37 PHE . 36445 1 38 38 LEU . 36445 1 39 39 ASN . 36445 1 40 40 PRO . 36445 1 41 41 ASN . 36445 1 42 42 ASP . 36445 1 43 43 PRO . 36445 1 44 44 TYR . 36445 1 45 45 HIS . 36445 1 46 46 ALA . 36445 1 47 47 TYR . 36445 1 48 48 TYR . 36445 1 49 49 ARG . 36445 1 50 50 HIS . 36445 1 51 51 LYS . 36445 1 52 52 VAL . 36445 1 53 53 SER . 36445 1 54 54 GLU . 36445 1 55 55 PHE . 36445 1 56 56 LYS . 36445 1 57 57 GLU . 36445 1 58 58 GLY . 36445 1 59 59 LYS . 36445 1 60 60 ALA . 36445 1 61 61 GLN . 36445 1 62 62 GLU . 36445 1 63 63 PRO . 36445 1 64 64 SER . 36445 1 65 65 SER . 36445 1 66 66 GLY . 36445 1 67 67 SER . 36445 1 68 68 SER . 36445 1 69 69 GLY . 36445 1 70 70 SER . 36445 1 71 71 SER . 36445 1 72 72 GLY . 36445 1 73 73 SER . 36445 1 74 74 SER . 36445 1 75 75 GLY . 36445 1 76 76 SER . 36445 1 77 77 SER . 36445 1 78 78 GLY . 36445 1 79 79 GLN . 36445 1 80 80 ARG . 36445 1 81 81 PRO . 36445 1 82 82 GLY . 36445 1 83 83 ASP . 36445 1 84 84 PRO . 36445 1 85 85 GLN . 36445 1 86 86 SER . 36445 1 87 87 ALA . 36445 1 88 88 GLN . 36445 1 89 89 ASP . 36445 1 90 90 LYS . 36445 1 91 91 ALA . 36445 1 92 92 ARG . 36445 1 93 93 MET . 36445 1 94 94 ASP . 36445 1 95 95 LYS . 36445 1 96 96 GLU . 36445 1 97 97 TYR . 36445 1 98 98 LEU . 36445 1 99 99 SER . 36445 1 100 100 LEU . 36445 1 101 101 MET . 36445 1 102 102 ALA . 36445 1 103 103 GLU . 36445 1 104 104 LEU . 36445 1 105 105 GLY . 36445 1 106 106 GLU . 36445 1 107 107 ALA . 36445 1 108 108 PRO . 36445 1 109 109 VAL . 36445 1 110 110 PRO . 36445 1 111 111 ALA . 36445 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 36445 1 . GLU 2 2 36445 1 . VAL 3 3 36445 1 . ARG 4 4 36445 1 . ASN 5 5 36445 1 . ILE 6 6 36445 1 . VAL 7 7 36445 1 . ASP 8 8 36445 1 . LYS 9 9 36445 1 . THR 10 10 36445 1 . ALA 11 11 36445 1 . SER 12 12 36445 1 . PHE 13 13 36445 1 . VAL 14 14 36445 1 . ALA 15 15 36445 1 . ARG 16 16 36445 1 . ASN 17 17 36445 1 . GLY 18 18 36445 1 . PRO 19 19 36445 1 . GLU 20 20 36445 1 . PHE 21 21 36445 1 . GLU 22 22 36445 1 . ALA 23 23 36445 1 . ARG 24 24 36445 1 . ILE 25 25 36445 1 . ARG 26 26 36445 1 . GLN 27 27 36445 1 . ASN 28 28 36445 1 . GLU 29 29 36445 1 . ILE 30 30 36445 1 . ASN 31 31 36445 1 . ASN 32 32 36445 1 . PRO 33 33 36445 1 . LYS 34 34 36445 1 . PHE 35 35 36445 1 . ASN 36 36 36445 1 . PHE 37 37 36445 1 . LEU 38 38 36445 1 . ASN 39 39 36445 1 . PRO 40 40 36445 1 . ASN 41 41 36445 1 . ASP 42 42 36445 1 . PRO 43 43 36445 1 . TYR 44 44 36445 1 . HIS 45 45 36445 1 . ALA 46 46 36445 1 . TYR 47 47 36445 1 . TYR 48 48 36445 1 . ARG 49 49 36445 1 . HIS 50 50 36445 1 . LYS 51 51 36445 1 . VAL 52 52 36445 1 . SER 53 53 36445 1 . GLU 54 54 36445 1 . PHE 55 55 36445 1 . LYS 56 56 36445 1 . GLU 57 57 36445 1 . GLY 58 58 36445 1 . LYS 59 59 36445 1 . ALA 60 60 36445 1 . GLN 61 61 36445 1 . GLU 62 62 36445 1 . PRO 63 63 36445 1 . SER 64 64 36445 1 . SER 65 65 36445 1 . GLY 66 66 36445 1 . SER 67 67 36445 1 . SER 68 68 36445 1 . GLY 69 69 36445 1 . SER 70 70 36445 1 . SER 71 71 36445 1 . GLY 72 72 36445 1 . SER 73 73 36445 1 . SER 74 74 36445 1 . GLY 75 75 36445 1 . SER 76 76 36445 1 . SER 77 77 36445 1 . GLY 78 78 36445 1 . GLN 79 79 36445 1 . ARG 80 80 36445 1 . PRO 81 81 36445 1 . GLY 82 82 36445 1 . ASP 83 83 36445 1 . PRO 84 84 36445 1 . GLN 85 85 36445 1 . SER 86 86 36445 1 . ALA 87 87 36445 1 . GLN 88 88 36445 1 . ASP 89 89 36445 1 . LYS 90 90 36445 1 . ALA 91 91 36445 1 . ARG 92 92 36445 1 . MET 93 93 36445 1 . ASP 94 94 36445 1 . LYS 95 95 36445 1 . GLU 96 96 36445 1 . TYR 97 97 36445 1 . LEU 98 98 36445 1 . SER 99 99 36445 1 . LEU 100 100 36445 1 . MET 101 101 36445 1 . ALA 102 102 36445 1 . GLU 103 103 36445 1 . LEU 104 104 36445 1 . GLY 105 105 36445 1 . GLU 106 106 36445 1 . ALA 107 107 36445 1 . PRO 108 108 36445 1 . VAL 109 109 36445 1 . PRO 110 110 36445 1 . ALA 111 111 36445 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 36445 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SF3A1, SAP114' . 36445 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 36445 _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 BL21(DE3)' . . 469008 . . . . . 'T7 expression vector' . . pET-15b . . . 36445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36445 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.4 mM [U-99% 13C; U-99% 15N] protein, 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 protein '[U-99% 13C; U-99% 15N]' 1 $assembly_1 1 $entity_1 . protein 1.4 . . mM . . . . 36445 1 2 'Sodium Phosphate' '[U=100% 2H]' . . . . . buffer 20 . . mM . . . . 36445 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36445 1 4 D2O U-2H . . . . . solvent 10 . . % . . . . 36445 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36445 _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' 20 . mM 36445 1 pH 7.0 . pH 36445 1 pressure 1 . atm 36445 1 temperature 298 . K 36445 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36445 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36445 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36445 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36445 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36445 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36445 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36445 _Software.ID 3 _Software.Type . _Software.Name MagRO-NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayshi, N.' . . 36445 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36445 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36445 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36445 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36445 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36445 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36445 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36445 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36445 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 36445 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 36445 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36445 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36445 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36445 7 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 36445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36445 _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 . 600 . . . 36445 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 36445 _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_13C,15N-SEPARATED_NOESY SPECTRA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36445 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 36445 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.821ppm at 298K) and then those of 15N and 13C were calculated based on their gyro-magnetic ratios. ; 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 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36445 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36445 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36445 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 36445 _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_13C,15N-SEPARATED_NOESY SPECTRA' 1 $sample_1 isotropic 36445 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 1 1 GLY HA2 H 1 3.694 0.030 . 1 . . . . A 1 GLY HA2 . 36445 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.694 0.030 . 1 . . . . A 1 GLY HA3 . 36445 1 3 . 1 . 1 1 1 GLY CA C 13 41.454 0.300 . 1 . . . . A 1 GLY CA . 36445 1 4 . 1 . 1 2 2 GLU H H 1 8.282 0.030 . 1 . . . . A 2 GLU H . 36445 1 5 . 1 . 1 2 2 GLU HA H 1 4.291 0.030 . 1 . . . . A 2 GLU HA . 36445 1 6 . 1 . 1 2 2 GLU HB2 H 1 1.922 0.030 . 2 . . . . A 2 GLU HB2 . 36445 1 7 . 1 . 1 2 2 GLU HB3 H 1 2.027 0.030 . 2 . . . . A 2 GLU HB3 . 36445 1 8 . 1 . 1 2 2 GLU HG2 H 1 2.221 0.030 . 1 . . . . A 2 GLU HG2 . 36445 1 9 . 1 . 1 2 2 GLU HG3 H 1 2.221 0.030 . 1 . . . . A 2 GLU HG3 . 36445 1 10 . 1 . 1 2 2 GLU C C 13 174.534 0.300 . 1 . . . . A 2 GLU C . 36445 1 11 . 1 . 1 2 2 GLU CA C 13 54.211 0.300 . 1 . . . . A 2 GLU CA . 36445 1 12 . 1 . 1 2 2 GLU CB C 13 27.761 0.300 . 1 . . . . A 2 GLU CB . 36445 1 13 . 1 . 1 2 2 GLU CG C 13 33.603 0.300 . 1 . . . . A 2 GLU CG . 36445 1 14 . 1 . 1 2 2 GLU N N 15 121.280 0.300 . 1 . . . . A 2 GLU N . 36445 1 15 . 1 . 1 3 3 VAL H H 1 8.252 0.030 . 1 . . . . A 3 VAL H . 36445 1 16 . 1 . 1 3 3 VAL HA H 1 3.750 0.030 . 1 . . . . A 3 VAL HA . 36445 1 17 . 1 . 1 3 3 VAL HB H 1 1.780 0.030 . 1 . . . . A 3 VAL HB . 36445 1 18 . 1 . 1 3 3 VAL HG11 H 1 0.796 0.030 . 2 . . . . A 3 VAL HG11 . 36445 1 19 . 1 . 1 3 3 VAL HG12 H 1 0.796 0.030 . 2 . . . . A 3 VAL HG12 . 36445 1 20 . 1 . 1 3 3 VAL HG13 H 1 0.796 0.030 . 2 . . . . A 3 VAL HG13 . 36445 1 21 . 1 . 1 3 3 VAL HG21 H 1 0.496 0.030 . 2 . . . . A 3 VAL HG21 . 36445 1 22 . 1 . 1 3 3 VAL HG22 H 1 0.496 0.030 . 2 . . . . A 3 VAL HG22 . 36445 1 23 . 1 . 1 3 3 VAL HG23 H 1 0.496 0.030 . 2 . . . . A 3 VAL HG23 . 36445 1 24 . 1 . 1 3 3 VAL C C 13 174.283 0.300 . 1 . . . . A 3 VAL C . 36445 1 25 . 1 . 1 3 3 VAL CA C 13 62.042 0.300 . 1 . . . . A 3 VAL CA . 36445 1 26 . 1 . 1 3 3 VAL CB C 13 29.172 0.300 . 1 . . . . A 3 VAL CB . 36445 1 27 . 1 . 1 3 3 VAL CG1 C 13 18.649 0.300 . 2 . . . . A 3 VAL CG1 . 36445 1 28 . 1 . 1 3 3 VAL CG2 C 13 17.845 0.300 . 2 . . . . A 3 VAL CG2 . 36445 1 29 . 1 . 1 3 3 VAL N N 15 122.097 0.300 . 1 . . . . A 3 VAL N . 36445 1 30 . 1 . 1 4 4 ARG H H 1 8.315 0.030 . 1 . . . . A 4 ARG H . 36445 1 31 . 1 . 1 4 4 ARG HA H 1 3.758 0.030 . 1 . . . . A 4 ARG HA . 36445 1 32 . 1 . 1 4 4 ARG HB2 H 1 1.709 0.030 . 1 . . . . A 4 ARG HB2 . 36445 1 33 . 1 . 1 4 4 ARG HB3 H 1 1.709 0.030 . 1 . . . . A 4 ARG HB3 . 36445 1 34 . 1 . 1 4 4 ARG HG2 H 1 1.448 0.030 . 2 . . . . A 4 ARG HG2 . 36445 1 35 . 1 . 1 4 4 ARG HG3 H 1 1.499 0.030 . 2 . . . . A 4 ARG HG3 . 36445 1 36 . 1 . 1 4 4 ARG HD2 H 1 2.987 0.030 . 1 . . . . A 4 ARG HD2 . 36445 1 37 . 1 . 1 4 4 ARG HD3 H 1 2.987 0.030 . 1 . . . . A 4 ARG HD3 . 36445 1 38 . 1 . 1 4 4 ARG C C 13 176.113 0.300 . 1 . . . . A 4 ARG C . 36445 1 39 . 1 . 1 4 4 ARG CA C 13 56.330 0.300 . 1 . . . . A 4 ARG CA . 36445 1 40 . 1 . 1 4 4 ARG CB C 13 27.375 0.300 . 1 . . . . A 4 ARG CB . 36445 1 41 . 1 . 1 4 4 ARG CG C 13 25.042 0.300 . 1 . . . . A 4 ARG CG . 36445 1 42 . 1 . 1 4 4 ARG CD C 13 40.564 0.300 . 1 . . . . A 4 ARG CD . 36445 1 43 . 1 . 1 4 4 ARG N N 15 120.910 0.300 . 1 . . . . A 4 ARG N . 36445 1 44 . 1 . 1 5 5 ASN H H 1 7.794 0.030 . 1 . . . . A 5 ASN H . 36445 1 45 . 1 . 1 5 5 ASN HA H 1 4.469 0.030 . 1 . . . . A 5 ASN HA . 36445 1 46 . 1 . 1 5 5 ASN HB2 H 1 2.805 0.030 . 1 . . . . A 5 ASN HB2 . 36445 1 47 . 1 . 1 5 5 ASN HB3 H 1 2.805 0.030 . 1 . . . . A 5 ASN HB3 . 36445 1 48 . 1 . 1 5 5 ASN HD21 H 1 6.923 0.030 . 2 . . . . A 5 ASN HD21 . 36445 1 49 . 1 . 1 5 5 ASN HD22 H 1 7.681 0.030 . 2 . . . . A 5 ASN HD22 . 36445 1 50 . 1 . 1 5 5 ASN C C 13 174.441 0.300 . 1 . . . . A 5 ASN C . 36445 1 51 . 1 . 1 5 5 ASN CA C 13 53.217 0.300 . 1 . . . . A 5 ASN CA . 36445 1 52 . 1 . 1 5 5 ASN CB C 13 35.849 0.300 . 1 . . . . A 5 ASN CB . 36445 1 53 . 1 . 1 5 5 ASN N N 15 116.100 0.300 . 1 . . . . A 5 ASN N . 36445 1 54 . 1 . 1 5 5 ASN ND2 N 15 112.908 0.300 . 1 . . . . A 5 ASN ND2 . 36445 1 55 . 1 . 1 6 6 ILE H H 1 7.693 0.030 . 1 . . . . A 6 ILE H . 36445 1 56 . 1 . 1 6 6 ILE HA H 1 3.655 0.030 . 1 . . . . A 6 ILE HA . 36445 1 57 . 1 . 1 6 6 ILE HB H 1 1.868 0.030 . 1 . . . . A 6 ILE HB . 36445 1 58 . 1 . 1 6 6 ILE HG12 H 1 0.996 0.030 . 2 . . . . A 6 ILE HG12 . 36445 1 59 . 1 . 1 6 6 ILE HG13 H 1 1.610 0.030 . 2 . . . . A 6 ILE HG13 . 36445 1 60 . 1 . 1 6 6 ILE HG21 H 1 0.734 0.030 . 1 . . . . A 6 ILE HG21 . 36445 1 61 . 1 . 1 6 6 ILE HG22 H 1 0.734 0.030 . 1 . . . . A 6 ILE HG22 . 36445 1 62 . 1 . 1 6 6 ILE HG23 H 1 0.734 0.030 . 1 . . . . A 6 ILE HG23 . 36445 1 63 . 1 . 1 6 6 ILE HD11 H 1 0.675 0.030 . 1 . . . . A 6 ILE HD11 . 36445 1 64 . 1 . 1 6 6 ILE HD12 H 1 0.675 0.030 . 1 . . . . A 6 ILE HD12 . 36445 1 65 . 1 . 1 6 6 ILE HD13 H 1 0.675 0.030 . 1 . . . . A 6 ILE HD13 . 36445 1 66 . 1 . 1 6 6 ILE C C 13 176.022 0.300 . 1 . . . . A 6 ILE C . 36445 1 67 . 1 . 1 6 6 ILE CA C 13 61.950 0.300 . 1 . . . . A 6 ILE CA . 36445 1 68 . 1 . 1 6 6 ILE CB C 13 35.159 0.300 . 1 . . . . A 6 ILE CB . 36445 1 69 . 1 . 1 6 6 ILE CG1 C 13 26.037 0.300 . 1 . . . . A 6 ILE CG1 . 36445 1 70 . 1 . 1 6 6 ILE CG2 C 13 14.567 0.300 . 1 . . . . A 6 ILE CG2 . 36445 1 71 . 1 . 1 6 6 ILE CD1 C 13 10.905 0.300 . 1 . . . . A 6 ILE CD1 . 36445 1 72 . 1 . 1 6 6 ILE N N 15 120.090 0.300 . 1 . . . . A 6 ILE N . 36445 1 73 . 1 . 1 7 7 VAL H H 1 7.946 0.030 . 1 . . . . A 7 VAL H . 36445 1 74 . 1 . 1 7 7 VAL HA H 1 2.707 0.030 . 1 . . . . A 7 VAL HA . 36445 1 75 . 1 . 1 7 7 VAL HB H 1 2.038 0.030 . 1 . . . . A 7 VAL HB . 36445 1 76 . 1 . 1 7 7 VAL HG11 H 1 0.953 0.030 . 2 . . . . A 7 VAL HG11 . 36445 1 77 . 1 . 1 7 7 VAL HG12 H 1 0.953 0.030 . 2 . . . . A 7 VAL HG12 . 36445 1 78 . 1 . 1 7 7 VAL HG13 H 1 0.953 0.030 . 2 . . . . A 7 VAL HG13 . 36445 1 79 . 1 . 1 7 7 VAL HG21 H 1 0.005 0.030 . 2 . . . . A 7 VAL HG21 . 36445 1 80 . 1 . 1 7 7 VAL HG22 H 1 0.005 0.030 . 2 . . . . A 7 VAL HG22 . 36445 1 81 . 1 . 1 7 7 VAL HG23 H 1 0.005 0.030 . 2 . . . . A 7 VAL HG23 . 36445 1 82 . 1 . 1 7 7 VAL C C 13 174.756 0.300 . 1 . . . . A 7 VAL C . 36445 1 83 . 1 . 1 7 7 VAL CA C 13 63.883 0.300 . 1 . . . . A 7 VAL CA . 36445 1 84 . 1 . 1 7 7 VAL CB C 13 27.877 0.300 . 1 . . . . A 7 VAL CB . 36445 1 85 . 1 . 1 7 7 VAL CG1 C 13 20.220 0.300 . 2 . . . . A 7 VAL CG1 . 36445 1 86 . 1 . 1 7 7 VAL CG2 C 13 18.689 0.300 . 2 . . . . A 7 VAL CG2 . 36445 1 87 . 1 . 1 7 7 VAL N N 15 123.707 0.300 . 1 . . . . A 7 VAL N . 36445 1 88 . 1 . 1 8 8 ASP H H 1 8.490 0.030 . 1 . . . . A 8 ASP H . 36445 1 89 . 1 . 1 8 8 ASP HA H 1 4.254 0.030 . 1 . . . . A 8 ASP HA . 36445 1 90 . 1 . 1 8 8 ASP HB2 H 1 2.730 0.030 . 2 . . . . A 8 ASP HB2 . 36445 1 91 . 1 . 1 8 8 ASP HB3 H 1 2.842 0.030 . 2 . . . . A 8 ASP HB3 . 36445 1 92 . 1 . 1 8 8 ASP C C 13 176.490 0.300 . 1 . . . . A 8 ASP C . 36445 1 93 . 1 . 1 8 8 ASP CA C 13 55.541 0.300 . 1 . . . . A 8 ASP CA . 36445 1 94 . 1 . 1 8 8 ASP CB C 13 37.471 0.300 . 1 . . . . A 8 ASP CB . 36445 1 95 . 1 . 1 8 8 ASP N N 15 120.544 0.300 . 1 . . . . A 8 ASP N . 36445 1 96 . 1 . 1 9 9 LYS H H 1 7.948 0.030 . 1 . . . . A 9 LYS H . 36445 1 97 . 1 . 1 9 9 LYS HA H 1 4.095 0.030 . 1 . . . . A 9 LYS HA . 36445 1 98 . 1 . 1 9 9 LYS HB2 H 1 1.707 0.030 . 2 . . . . A 9 LYS HB2 . 36445 1 99 . 1 . 1 9 9 LYS HB3 H 1 1.967 0.030 . 2 . . . . A 9 LYS HB3 . 36445 1 100 . 1 . 1 9 9 LYS HG2 H 1 1.496 0.030 . 2 . . . . A 9 LYS HG2 . 36445 1 101 . 1 . 1 9 9 LYS HG3 H 1 1.613 0.030 . 2 . . . . A 9 LYS HG3 . 36445 1 102 . 1 . 1 9 9 LYS HD2 H 1 1.760 0.030 . 2 . . . . A 9 LYS HD2 . 36445 1 103 . 1 . 1 9 9 LYS HD3 H 1 1.625 0.030 . 2 . . . . A 9 LYS HD3 . 36445 1 104 . 1 . 1 9 9 LYS HE2 H 1 2.966 0.030 . 2 . . . . A 9 LYS HE2 . 36445 1 105 . 1 . 1 9 9 LYS HE3 H 1 3.018 0.030 . 2 . . . . A 9 LYS HE3 . 36445 1 106 . 1 . 1 9 9 LYS C C 13 177.166 0.300 . 1 . . . . A 9 LYS C . 36445 1 107 . 1 . 1 9 9 LYS CA C 13 56.669 0.300 . 1 . . . . A 9 LYS CA . 36445 1 108 . 1 . 1 9 9 LYS CB C 13 29.555 0.300 . 1 . . . . A 9 LYS CB . 36445 1 109 . 1 . 1 9 9 LYS CG C 13 22.392 0.300 . 1 . . . . A 9 LYS CG . 36445 1 110 . 1 . 1 9 9 LYS CD C 13 25.981 0.300 . 1 . . . . A 9 LYS CD . 36445 1 111 . 1 . 1 9 9 LYS CE C 13 39.082 0.300 . 1 . . . . A 9 LYS CE . 36445 1 112 . 1 . 1 9 9 LYS N N 15 118.213 0.300 . 1 . . . . A 9 LYS N . 36445 1 113 . 1 . 1 10 10 THR H H 1 8.435 0.030 . 1 . . . . A 10 THR H . 36445 1 114 . 1 . 1 10 10 THR HA H 1 3.998 0.030 . 1 . . . . A 10 THR HA . 36445 1 115 . 1 . 1 10 10 THR HB H 1 4.578 0.030 . 1 . . . . A 10 THR HB . 36445 1 116 . 1 . 1 10 10 THR HG21 H 1 1.547 0.030 . 1 . . . . A 10 THR HG21 . 36445 1 117 . 1 . 1 10 10 THR HG22 H 1 1.547 0.030 . 1 . . . . A 10 THR HG22 . 36445 1 118 . 1 . 1 10 10 THR HG23 H 1 1.547 0.030 . 1 . . . . A 10 THR HG23 . 36445 1 119 . 1 . 1 10 10 THR C C 13 173.880 0.300 . 1 . . . . A 10 THR C . 36445 1 120 . 1 . 1 10 10 THR CA C 13 66.227 0.300 . 1 . . . . A 10 THR CA . 36445 1 121 . 1 . 1 10 10 THR CB C 13 65.349 0.300 . 1 . . . . A 10 THR CB . 36445 1 122 . 1 . 1 10 10 THR CG2 C 13 18.949 0.300 . 1 . . . . A 10 THR CG2 . 36445 1 123 . 1 . 1 10 10 THR N N 15 117.722 0.300 . 1 . . . . A 10 THR N . 36445 1 124 . 1 . 1 11 11 ALA H H 1 9.414 0.030 . 1 . . . . A 11 ALA H . 36445 1 125 . 1 . 1 11 11 ALA HA H 1 4.200 0.030 . 1 . . . . A 11 ALA HA . 36445 1 126 . 1 . 1 11 11 ALA HB1 H 1 1.524 0.030 . 1 . . . . A 11 ALA HB1 . 36445 1 127 . 1 . 1 11 11 ALA HB2 H 1 1.524 0.030 . 1 . . . . A 11 ALA HB2 . 36445 1 128 . 1 . 1 11 11 ALA HB3 H 1 1.524 0.030 . 1 . . . . A 11 ALA HB3 . 36445 1 129 . 1 . 1 11 11 ALA C C 13 176.401 0.300 . 1 . . . . A 11 ALA C . 36445 1 130 . 1 . 1 11 11 ALA CA C 13 52.914 0.300 . 1 . . . . A 11 ALA CA . 36445 1 131 . 1 . 1 11 11 ALA CB C 13 16.235 0.300 . 1 . . . . A 11 ALA CB . 36445 1 132 . 1 . 1 11 11 ALA N N 15 122.874 0.300 . 1 . . . . A 11 ALA N . 36445 1 133 . 1 . 1 12 12 SER H H 1 7.845 0.030 . 1 . . . . A 12 SER H . 36445 1 134 . 1 . 1 12 12 SER HA H 1 3.409 0.030 . 1 . . . . A 12 SER HA . 36445 1 135 . 1 . 1 12 12 SER HB2 H 1 3.423 0.030 . 2 . . . . A 12 SER HB2 . 36445 1 136 . 1 . 1 12 12 SER HB3 H 1 3.188 0.030 . 2 . . . . A 12 SER HB3 . 36445 1 137 . 1 . 1 12 12 SER C C 13 174.236 0.300 . 1 . . . . A 12 SER C . 36445 1 138 . 1 . 1 12 12 SER CA C 13 58.866 0.300 . 1 . . . . A 12 SER CA . 36445 1 139 . 1 . 1 12 12 SER CB C 13 59.464 0.300 . 1 . . . . A 12 SER CB . 36445 1 140 . 1 . 1 12 12 SER N N 15 113.337 0.300 . 1 . . . . A 12 SER N . 36445 1 141 . 1 . 1 13 13 PHE H H 1 7.781 0.030 . 1 . . . . A 13 PHE H . 36445 1 142 . 1 . 1 13 13 PHE HA H 1 3.908 0.030 . 1 . . . . A 13 PHE HA . 36445 1 143 . 1 . 1 13 13 PHE HB2 H 1 3.381 0.030 . 2 . . . . A 13 PHE HB2 . 36445 1 144 . 1 . 1 13 13 PHE HB3 H 1 2.754 0.030 . 2 . . . . A 13 PHE HB3 . 36445 1 145 . 1 . 1 13 13 PHE HD1 H 1 7.262 0.030 . 1 . . . . A 13 PHE HD1 . 36445 1 146 . 1 . 1 13 13 PHE HD2 H 1 7.262 0.030 . 1 . . . . A 13 PHE HD2 . 36445 1 147 . 1 . 1 13 13 PHE HE1 H 1 7.114 0.030 . 1 . . . . A 13 PHE HE1 . 36445 1 148 . 1 . 1 13 13 PHE HE2 H 1 7.114 0.030 . 1 . . . . A 13 PHE HE2 . 36445 1 149 . 1 . 1 13 13 PHE HZ H 1 7.291 0.030 . 1 . . . . A 13 PHE HZ . 36445 1 150 . 1 . 1 13 13 PHE C C 13 176.699 0.300 . 1 . . . . A 13 PHE C . 36445 1 151 . 1 . 1 13 13 PHE CA C 13 59.214 0.300 . 1 . . . . A 13 PHE CA . 36445 1 152 . 1 . 1 13 13 PHE CB C 13 37.581 0.300 . 1 . . . . A 13 PHE CB . 36445 1 153 . 1 . 1 13 13 PHE CD1 C 13 129.246 0.300 . 1 . . . . A 13 PHE CD1 . 36445 1 154 . 1 . 1 13 13 PHE CD2 C 13 129.246 0.300 . 1 . . . . A 13 PHE CD2 . 36445 1 155 . 1 . 1 13 13 PHE CE1 C 13 127.758 0.300 . 1 . . . . A 13 PHE CE1 . 36445 1 156 . 1 . 1 13 13 PHE CE2 C 13 127.758 0.300 . 1 . . . . A 13 PHE CE2 . 36445 1 157 . 1 . 1 13 13 PHE N N 15 121.028 0.300 . 1 . . . . A 13 PHE N . 36445 1 158 . 1 . 1 14 14 VAL H H 1 9.080 0.030 . 1 . . . . A 14 VAL H . 36445 1 159 . 1 . 1 14 14 VAL HA H 1 3.722 0.030 . 1 . . . . A 14 VAL HA . 36445 1 160 . 1 . 1 14 14 VAL HB H 1 2.314 0.030 . 1 . . . . A 14 VAL HB . 36445 1 161 . 1 . 1 14 14 VAL HG11 H 1 1.461 0.030 . 2 . . . . A 14 VAL HG11 . 36445 1 162 . 1 . 1 14 14 VAL HG12 H 1 1.461 0.030 . 2 . . . . A 14 VAL HG12 . 36445 1 163 . 1 . 1 14 14 VAL HG13 H 1 1.461 0.030 . 2 . . . . A 14 VAL HG13 . 36445 1 164 . 1 . 1 14 14 VAL HG21 H 1 1.083 0.030 . 2 . . . . A 14 VAL HG21 . 36445 1 165 . 1 . 1 14 14 VAL HG22 H 1 1.083 0.030 . 2 . . . . A 14 VAL HG22 . 36445 1 166 . 1 . 1 14 14 VAL HG23 H 1 1.083 0.030 . 2 . . . . A 14 VAL HG23 . 36445 1 167 . 1 . 1 14 14 VAL C C 13 176.194 0.300 . 1 . . . . A 14 VAL C . 36445 1 168 . 1 . 1 14 14 VAL CA C 13 64.713 0.300 . 1 . . . . A 14 VAL CA . 36445 1 169 . 1 . 1 14 14 VAL CB C 13 29.746 0.300 . 1 . . . . A 14 VAL CB . 36445 1 170 . 1 . 1 14 14 VAL CG1 C 13 20.625 0.300 . 2 . . . . A 14 VAL CG1 . 36445 1 171 . 1 . 1 14 14 VAL CG2 C 13 18.556 0.300 . 2 . . . . A 14 VAL CG2 . 36445 1 172 . 1 . 1 14 14 VAL N N 15 123.392 0.300 . 1 . . . . A 14 VAL N . 36445 1 173 . 1 . 1 15 15 ALA H H 1 8.928 0.030 . 1 . . . . A 15 ALA H . 36445 1 174 . 1 . 1 15 15 ALA HA H 1 3.883 0.030 . 1 . . . . A 15 ALA HA . 36445 1 175 . 1 . 1 15 15 ALA HB1 H 1 1.519 0.030 . 1 . . . . A 15 ALA HB1 . 36445 1 176 . 1 . 1 15 15 ALA HB2 H 1 1.519 0.030 . 1 . . . . A 15 ALA HB2 . 36445 1 177 . 1 . 1 15 15 ALA HB3 H 1 1.519 0.030 . 1 . . . . A 15 ALA HB3 . 36445 1 178 . 1 . 1 15 15 ALA C C 13 175.900 0.300 . 1 . . . . A 15 ALA C . 36445 1 179 . 1 . 1 15 15 ALA CA C 13 52.737 0.300 . 1 . . . . A 15 ALA CA . 36445 1 180 . 1 . 1 15 15 ALA CB C 13 17.067 0.300 . 1 . . . . A 15 ALA CB . 36445 1 181 . 1 . 1 15 15 ALA N N 15 123.964 0.300 . 1 . . . . A 15 ALA N . 36445 1 182 . 1 . 1 16 16 ARG H H 1 6.833 0.030 . 1 . . . . A 16 ARG H . 36445 1 183 . 1 . 1 16 16 ARG HA H 1 4.090 0.030 . 1 . . . . A 16 ARG HA . 36445 1 184 . 1 . 1 16 16 ARG HB2 H 1 1.555 0.030 . 2 . . . . A 16 ARG HB2 . 36445 1 185 . 1 . 1 16 16 ARG HB3 H 1 1.638 0.030 . 2 . . . . A 16 ARG HB3 . 36445 1 186 . 1 . 1 16 16 ARG HG2 H 1 1.294 0.030 . 2 . . . . A 16 ARG HG2 . 36445 1 187 . 1 . 1 16 16 ARG HG3 H 1 1.482 0.030 . 2 . . . . A 16 ARG HG3 . 36445 1 188 . 1 . 1 16 16 ARG HD2 H 1 3.002 0.030 . 1 . . . . A 16 ARG HD2 . 36445 1 189 . 1 . 1 16 16 ARG HD3 H 1 3.002 0.030 . 1 . . . . A 16 ARG HD3 . 36445 1 190 . 1 . 1 16 16 ARG C C 13 174.460 0.300 . 1 . . . . A 16 ARG C . 36445 1 191 . 1 . 1 16 16 ARG CA C 13 55.560 0.300 . 1 . . . . A 16 ARG CA . 36445 1 192 . 1 . 1 16 16 ARG CB C 13 28.551 0.300 . 1 . . . . A 16 ARG CB . 36445 1 193 . 1 . 1 16 16 ARG CG C 13 25.314 0.300 . 1 . . . . A 16 ARG CG . 36445 1 194 . 1 . 1 16 16 ARG CD C 13 40.573 0.300 . 1 . . . . A 16 ARG CD . 36445 1 195 . 1 . 1 16 16 ARG N N 15 112.923 0.300 . 1 . . . . A 16 ARG N . 36445 1 196 . 1 . 1 17 17 ASN H H 1 7.792 0.030 . 1 . . . . A 17 ASN H . 36445 1 197 . 1 . 1 17 17 ASN HA H 1 4.676 0.030 . 1 . . . . A 17 ASN HA . 36445 1 198 . 1 . 1 17 17 ASN HB2 H 1 2.051 0.030 . 2 . . . . A 17 ASN HB2 . 36445 1 199 . 1 . 1 17 17 ASN HB3 H 1 2.455 0.030 . 2 . . . . A 17 ASN HB3 . 36445 1 200 . 1 . 1 17 17 ASN HD21 H 1 5.954 0.030 . 2 . . . . A 17 ASN HD21 . 36445 1 201 . 1 . 1 17 17 ASN HD22 H 1 8.519 0.030 . 2 . . . . A 17 ASN HD22 . 36445 1 202 . 1 . 1 17 17 ASN C C 13 173.292 0.300 . 1 . . . . A 17 ASN C . 36445 1 203 . 1 . 1 17 17 ASN CA C 13 52.584 0.300 . 1 . . . . A 17 ASN CA . 36445 1 204 . 1 . 1 17 17 ASN CB C 13 39.584 0.300 . 1 . . . . A 17 ASN CB . 36445 1 205 . 1 . 1 17 17 ASN N N 15 114.280 0.300 . 1 . . . . A 17 ASN N . 36445 1 206 . 1 . 1 17 17 ASN ND2 N 15 114.904 0.300 . 1 . . . . A 17 ASN ND2 . 36445 1 207 . 1 . 1 18 18 GLY H H 1 8.582 0.030 . 1 . . . . A 18 GLY H . 36445 1 208 . 1 . 1 18 18 GLY HA2 H 1 4.160 0.030 . 2 . . . . A 18 GLY HA2 . 36445 1 209 . 1 . 1 18 18 GLY HA3 H 1 4.630 0.030 . 2 . . . . A 18 GLY HA3 . 36445 1 210 . 1 . 1 18 18 GLY CA C 13 42.958 0.300 . 1 . . . . A 18 GLY CA . 36445 1 211 . 1 . 1 18 18 GLY N N 15 109.256 0.300 . 1 . . . . A 18 GLY N . 36445 1 212 . 1 . 1 19 19 PRO HA H 1 4.427 0.030 . 1 . . . . A 19 PRO HA . 36445 1 213 . 1 . 1 19 19 PRO HB2 H 1 2.393 0.030 . 2 . . . . A 19 PRO HB2 . 36445 1 214 . 1 . 1 19 19 PRO HB3 H 1 2.014 0.030 . 2 . . . . A 19 PRO HB3 . 36445 1 215 . 1 . 1 19 19 PRO HG2 H 1 2.111 0.030 . 2 . . . . A 19 PRO HG2 . 36445 1 216 . 1 . 1 19 19 PRO HG3 H 1 2.037 0.030 . 2 . . . . A 19 PRO HG3 . 36445 1 217 . 1 . 1 19 19 PRO HD2 H 1 3.882 0.030 . 2 . . . . A 19 PRO HD2 . 36445 1 218 . 1 . 1 19 19 PRO HD3 H 1 3.628 0.030 . 2 . . . . A 19 PRO HD3 . 36445 1 219 . 1 . 1 19 19 PRO C C 13 177.212 0.300 . 1 . . . . A 19 PRO C . 36445 1 220 . 1 . 1 19 19 PRO CA C 13 62.239 0.300 . 1 . . . . A 19 PRO CA . 36445 1 221 . 1 . 1 19 19 PRO CB C 13 29.434 0.300 . 1 . . . . A 19 PRO CB . 36445 1 222 . 1 . 1 19 19 PRO CG C 13 24.831 0.300 . 1 . . . . A 19 PRO CG . 36445 1 223 . 1 . 1 19 19 PRO CD C 13 47.486 0.300 . 1 . . . . A 19 PRO CD . 36445 1 224 . 1 . 1 20 20 GLU H H 1 9.395 0.030 . 1 . . . . A 20 GLU H . 36445 1 225 . 1 . 1 20 20 GLU HA H 1 4.177 0.030 . 1 . . . . A 20 GLU HA . 36445 1 226 . 1 . 1 20 20 GLU HB2 H 1 2.014 0.030 . 2 . . . . A 20 GLU HB2 . 36445 1 227 . 1 . 1 20 20 GLU HB3 H 1 2.089 0.030 . 2 . . . . A 20 GLU HB3 . 36445 1 228 . 1 . 1 20 20 GLU HG2 H 1 2.318 0.030 . 1 . . . . A 20 GLU HG2 . 36445 1 229 . 1 . 1 20 20 GLU HG3 H 1 2.318 0.030 . 1 . . . . A 20 GLU HG3 . 36445 1 230 . 1 . 1 20 20 GLU C C 13 176.315 0.300 . 1 . . . . A 20 GLU C . 36445 1 231 . 1 . 1 20 20 GLU CA C 13 56.611 0.300 . 1 . . . . A 20 GLU CA . 36445 1 232 . 1 . 1 20 20 GLU CB C 13 25.981 0.300 . 1 . . . . A 20 GLU CB . 36445 1 233 . 1 . 1 20 20 GLU CG C 13 33.938 0.300 . 1 . . . . A 20 GLU CG . 36445 1 234 . 1 . 1 20 20 GLU N N 15 120.348 0.300 . 1 . . . . A 20 GLU N . 36445 1 235 . 1 . 1 21 21 PHE H H 1 7.920 0.030 . 1 . . . . A 21 PHE H . 36445 1 236 . 1 . 1 21 21 PHE HA H 1 4.160 0.030 . 1 . . . . A 21 PHE HA . 36445 1 237 . 1 . 1 21 21 PHE HB2 H 1 3.013 0.030 . 2 . . . . A 21 PHE HB2 . 36445 1 238 . 1 . 1 21 21 PHE HB3 H 1 3.383 0.030 . 2 . . . . A 21 PHE HB3 . 36445 1 239 . 1 . 1 21 21 PHE HD1 H 1 7.261 0.030 . 1 . . . . A 21 PHE HD1 . 36445 1 240 . 1 . 1 21 21 PHE HD2 H 1 7.261 0.030 . 1 . . . . A 21 PHE HD2 . 36445 1 241 . 1 . 1 21 21 PHE HE1 H 1 7.445 0.030 . 1 . . . . A 21 PHE HE1 . 36445 1 242 . 1 . 1 21 21 PHE HE2 H 1 7.445 0.030 . 1 . . . . A 21 PHE HE2 . 36445 1 243 . 1 . 1 21 21 PHE HZ H 1 7.058 0.030 . 1 . . . . A 21 PHE HZ . 36445 1 244 . 1 . 1 21 21 PHE C C 13 174.007 0.300 . 1 . . . . A 21 PHE C . 36445 1 245 . 1 . 1 21 21 PHE CA C 13 58.809 0.300 . 1 . . . . A 21 PHE CA . 36445 1 246 . 1 . 1 21 21 PHE CB C 13 37.778 0.300 . 1 . . . . A 21 PHE CB . 36445 1 247 . 1 . 1 21 21 PHE CD1 C 13 129.252 0.300 . 1 . . . . A 21 PHE CD1 . 36445 1 248 . 1 . 1 21 21 PHE CD2 C 13 129.252 0.300 . 1 . . . . A 21 PHE CD2 . 36445 1 249 . 1 . 1 21 21 PHE CE1 C 13 129.171 0.300 . 1 . . . . A 21 PHE CE1 . 36445 1 250 . 1 . 1 21 21 PHE CE2 C 13 129.171 0.300 . 1 . . . . A 21 PHE CE2 . 36445 1 251 . 1 . 1 21 21 PHE CZ C 13 126.372 0.300 . 1 . . . . A 21 PHE CZ . 36445 1 252 . 1 . 1 21 21 PHE N N 15 121.942 0.300 . 1 . . . . A 21 PHE N . 36445 1 253 . 1 . 1 22 22 GLU H H 1 7.284 0.030 . 1 . . . . A 22 GLU H . 36445 1 254 . 1 . 1 22 22 GLU HA H 1 3.664 0.030 . 1 . . . . A 22 GLU HA . 36445 1 255 . 1 . 1 22 22 GLU HB2 H 1 2.359 0.030 . 1 . . . . A 22 GLU HB2 . 36445 1 256 . 1 . 1 22 22 GLU HB3 H 1 2.359 0.030 . 1 . . . . A 22 GLU HB3 . 36445 1 257 . 1 . 1 22 22 GLU HG2 H 1 2.184 0.030 . 2 . . . . A 22 GLU HG2 . 36445 1 258 . 1 . 1 22 22 GLU HG3 H 1 2.326 0.030 . 2 . . . . A 22 GLU HG3 . 36445 1 259 . 1 . 1 22 22 GLU C C 13 174.718 0.300 . 1 . . . . A 22 GLU C . 36445 1 260 . 1 . 1 22 22 GLU CA C 13 57.446 0.300 . 1 . . . . A 22 GLU CA . 36445 1 261 . 1 . 1 22 22 GLU CB C 13 27.891 0.300 . 1 . . . . A 22 GLU CB . 36445 1 262 . 1 . 1 22 22 GLU CG C 13 34.884 0.300 . 1 . . . . A 22 GLU CG . 36445 1 263 . 1 . 1 22 22 GLU N N 15 118.314 0.300 . 1 . . . . A 22 GLU N . 36445 1 264 . 1 . 1 23 23 ALA H H 1 7.897 0.030 . 1 . . . . A 23 ALA H . 36445 1 265 . 1 . 1 23 23 ALA HA H 1 3.969 0.030 . 1 . . . . A 23 ALA HA . 36445 1 266 . 1 . 1 23 23 ALA HB1 H 1 1.426 0.030 . 1 . . . . A 23 ALA HB1 . 36445 1 267 . 1 . 1 23 23 ALA HB2 H 1 1.426 0.030 . 1 . . . . A 23 ALA HB2 . 36445 1 268 . 1 . 1 23 23 ALA HB3 H 1 1.426 0.030 . 1 . . . . A 23 ALA HB3 . 36445 1 269 . 1 . 1 23 23 ALA C C 13 176.807 0.300 . 1 . . . . A 23 ALA C . 36445 1 270 . 1 . 1 23 23 ALA CA C 13 52.257 0.300 . 1 . . . . A 23 ALA CA . 36445 1 271 . 1 . 1 23 23 ALA CB C 13 15.125 0.300 . 1 . . . . A 23 ALA CB . 36445 1 272 . 1 . 1 23 23 ALA N N 15 118.812 0.300 . 1 . . . . A 23 ALA N . 36445 1 273 . 1 . 1 24 24 ARG H H 1 7.373 0.030 . 1 . . . . A 24 ARG H . 36445 1 274 . 1 . 1 24 24 ARG HA H 1 3.863 0.030 . 1 . . . . A 24 ARG HA . 36445 1 275 . 1 . 1 24 24 ARG HB2 H 1 1.708 0.030 . 1 . . . . A 24 ARG HB2 . 36445 1 276 . 1 . 1 24 24 ARG HB3 H 1 1.708 0.030 . 1 . . . . A 24 ARG HB3 . 36445 1 277 . 1 . 1 24 24 ARG HG2 H 1 1.144 0.030 . 2 . . . . A 24 ARG HG2 . 36445 1 278 . 1 . 1 24 24 ARG HG3 H 1 1.355 0.030 . 2 . . . . A 24 ARG HG3 . 36445 1 279 . 1 . 1 24 24 ARG HD2 H 1 2.534 0.030 . 2 . . . . A 24 ARG HD2 . 36445 1 280 . 1 . 1 24 24 ARG HD3 H 1 2.869 0.030 . 2 . . . . A 24 ARG HD3 . 36445 1 281 . 1 . 1 24 24 ARG HE H 1 7.417 0.030 . 1 . . . . A 24 ARG HE . 36445 1 282 . 1 . 1 24 24 ARG C C 13 175.491 0.300 . 1 . . . . A 24 ARG C . 36445 1 283 . 1 . 1 24 24 ARG CA C 13 56.170 0.300 . 1 . . . . A 24 ARG CA . 36445 1 284 . 1 . 1 24 24 ARG CB C 13 27.424 0.300 . 1 . . . . A 24 ARG CB . 36445 1 285 . 1 . 1 24 24 ARG CG C 13 23.761 0.300 . 1 . . . . A 24 ARG CG . 36445 1 286 . 1 . 1 24 24 ARG CD C 13 40.592 0.300 . 1 . . . . A 24 ARG CD . 36445 1 287 . 1 . 1 24 24 ARG N N 15 118.913 0.300 . 1 . . . . A 24 ARG N . 36445 1 288 . 1 . 1 25 25 ILE H H 1 7.398 0.030 . 1 . . . . A 25 ILE H . 36445 1 289 . 1 . 1 25 25 ILE HA H 1 3.566 0.030 . 1 . . . . A 25 ILE HA . 36445 1 290 . 1 . 1 25 25 ILE HB H 1 1.462 0.030 . 1 . . . . A 25 ILE HB . 36445 1 291 . 1 . 1 25 25 ILE HG12 H 1 0.382 0.030 . 2 . . . . A 25 ILE HG12 . 36445 1 292 . 1 . 1 25 25 ILE HG13 H 1 1.399 0.030 . 2 . . . . A 25 ILE HG13 . 36445 1 293 . 1 . 1 25 25 ILE HG21 H 1 0.056 0.030 . 1 . . . . A 25 ILE HG21 . 36445 1 294 . 1 . 1 25 25 ILE HG22 H 1 0.056 0.030 . 1 . . . . A 25 ILE HG22 . 36445 1 295 . 1 . 1 25 25 ILE HG23 H 1 0.056 0.030 . 1 . . . . A 25 ILE HG23 . 36445 1 296 . 1 . 1 25 25 ILE HD11 H 1 0.559 0.030 . 1 . . . . A 25 ILE HD11 . 36445 1 297 . 1 . 1 25 25 ILE HD12 H 1 0.559 0.030 . 1 . . . . A 25 ILE HD12 . 36445 1 298 . 1 . 1 25 25 ILE HD13 H 1 0.559 0.030 . 1 . . . . A 25 ILE HD13 . 36445 1 299 . 1 . 1 25 25 ILE C C 13 174.817 0.300 . 1 . . . . A 25 ILE C . 36445 1 300 . 1 . 1 25 25 ILE CA C 13 62.261 0.300 . 1 . . . . A 25 ILE CA . 36445 1 301 . 1 . 1 25 25 ILE CB C 13 35.405 0.300 . 1 . . . . A 25 ILE CB . 36445 1 302 . 1 . 1 25 25 ILE CG1 C 13 24.739 0.300 . 1 . . . . A 25 ILE CG1 . 36445 1 303 . 1 . 1 25 25 ILE CG2 C 13 15.413 0.300 . 1 . . . . A 25 ILE CG2 . 36445 1 304 . 1 . 1 25 25 ILE CD1 C 13 12.170 0.300 . 1 . . . . A 25 ILE CD1 . 36445 1 305 . 1 . 1 25 25 ILE N N 15 117.921 0.300 . 1 . . . . A 25 ILE N . 36445 1 306 . 1 . 1 26 26 ARG H H 1 7.876 0.030 . 1 . . . . A 26 ARG H . 36445 1 307 . 1 . 1 26 26 ARG HA H 1 3.524 0.030 . 1 . . . . A 26 ARG HA . 36445 1 308 . 1 . 1 26 26 ARG HB2 H 1 1.657 0.030 . 2 . . . . A 26 ARG HB2 . 36445 1 309 . 1 . 1 26 26 ARG HB3 H 1 1.776 0.030 . 2 . . . . A 26 ARG HB3 . 36445 1 310 . 1 . 1 26 26 ARG HG2 H 1 1.412 0.030 . 2 . . . . A 26 ARG HG2 . 36445 1 311 . 1 . 1 26 26 ARG HG3 H 1 1.574 0.030 . 2 . . . . A 26 ARG HG3 . 36445 1 312 . 1 . 1 26 26 ARG HD2 H 1 3.104 0.030 . 1 . . . . A 26 ARG HD2 . 36445 1 313 . 1 . 1 26 26 ARG HD3 H 1 3.104 0.030 . 1 . . . . A 26 ARG HD3 . 36445 1 314 . 1 . 1 26 26 ARG C C 13 175.196 0.300 . 1 . . . . A 26 ARG C . 36445 1 315 . 1 . 1 26 26 ARG CA C 13 56.585 0.300 . 1 . . . . A 26 ARG CA . 36445 1 316 . 1 . 1 26 26 ARG CB C 13 27.658 0.300 . 1 . . . . A 26 ARG CB . 36445 1 317 . 1 . 1 26 26 ARG CG C 13 25.265 0.300 . 1 . . . . A 26 ARG CG . 36445 1 318 . 1 . 1 26 26 ARG CD C 13 40.904 0.300 . 1 . . . . A 26 ARG CD . 36445 1 319 . 1 . 1 26 26 ARG N N 15 117.366 0.300 . 1 . . . . A 26 ARG N . 36445 1 320 . 1 . 1 27 27 GLN H H 1 7.696 0.030 . 1 . . . . A 27 GLN H . 36445 1 321 . 1 . 1 27 27 GLN HA H 1 3.923 0.030 . 1 . . . . A 27 GLN HA . 36445 1 322 . 1 . 1 27 27 GLN HB2 H 1 1.925 0.030 . 2 . . . . A 27 GLN HB2 . 36445 1 323 . 1 . 1 27 27 GLN HB3 H 1 2.002 0.030 . 2 . . . . A 27 GLN HB3 . 36445 1 324 . 1 . 1 27 27 GLN HG2 H 1 2.302 0.030 . 1 . . . . A 27 GLN HG2 . 36445 1 325 . 1 . 1 27 27 GLN HG3 H 1 2.302 0.030 . 1 . . . . A 27 GLN HG3 . 36445 1 326 . 1 . 1 27 27 GLN HE21 H 1 7.272 0.030 . 2 . . . . A 27 GLN HE21 . 36445 1 327 . 1 . 1 27 27 GLN HE22 H 1 6.699 0.030 . 2 . . . . A 27 GLN HE22 . 36445 1 328 . 1 . 1 27 27 GLN C C 13 175.389 0.300 . 1 . . . . A 27 GLN C . 36445 1 329 . 1 . 1 27 27 GLN CA C 13 55.211 0.300 . 1 . . . . A 27 GLN CA . 36445 1 330 . 1 . 1 27 27 GLN CB C 13 26.162 0.300 . 1 . . . . A 27 GLN CB . 36445 1 331 . 1 . 1 27 27 GLN CG C 13 31.133 0.300 . 1 . . . . A 27 GLN CG . 36445 1 332 . 1 . 1 27 27 GLN N N 15 113.973 0.300 . 1 . . . . A 27 GLN N . 36445 1 333 . 1 . 1 27 27 GLN NE2 N 15 111.253 0.300 . 1 . . . . A 27 GLN NE2 . 36445 1 334 . 1 . 1 28 28 ASN H H 1 7.781 0.030 . 1 . . . . A 28 ASN H . 36445 1 335 . 1 . 1 28 28 ASN HA H 1 4.425 0.030 . 1 . . . . A 28 ASN HA . 36445 1 336 . 1 . 1 28 28 ASN HB2 H 1 2.687 0.030 . 1 . . . . A 28 ASN HB2 . 36445 1 337 . 1 . 1 28 28 ASN HB3 H 1 2.687 0.030 . 1 . . . . A 28 ASN HB3 . 36445 1 338 . 1 . 1 28 28 ASN HD21 H 1 6.564 0.030 . 2 . . . . A 28 ASN HD21 . 36445 1 339 . 1 . 1 28 28 ASN HD22 H 1 6.762 0.030 . 2 . . . . A 28 ASN HD22 . 36445 1 340 . 1 . 1 28 28 ASN C C 13 174.327 0.300 . 1 . . . . A 28 ASN C . 36445 1 341 . 1 . 1 28 28 ASN CA C 13 52.658 0.300 . 1 . . . . A 28 ASN CA . 36445 1 342 . 1 . 1 28 28 ASN CB C 13 36.621 0.300 . 1 . . . . A 28 ASN CB . 36445 1 343 . 1 . 1 28 28 ASN N N 15 116.393 0.300 . 1 . . . . A 28 ASN N . 36445 1 344 . 1 . 1 28 28 ASN ND2 N 15 111.384 0.300 . 1 . . . . A 28 ASN ND2 . 36445 1 345 . 1 . 1 29 29 GLU H H 1 8.087 0.030 . 1 . . . . A 29 GLU H . 36445 1 346 . 1 . 1 29 29 GLU HA H 1 4.703 0.030 . 1 . . . . A 29 GLU HA . 36445 1 347 . 1 . 1 29 29 GLU HB2 H 1 2.261 0.030 . 2 . . . . A 29 GLU HB2 . 36445 1 348 . 1 . 1 29 29 GLU HB3 H 1 1.195 0.030 . 2 . . . . A 29 GLU HB3 . 36445 1 349 . 1 . 1 29 29 GLU HG2 H 1 1.864 0.030 . 2 . . . . A 29 GLU HG2 . 36445 1 350 . 1 . 1 29 29 GLU HG3 H 1 1.288 0.030 . 2 . . . . A 29 GLU HG3 . 36445 1 351 . 1 . 1 29 29 GLU C C 13 174.936 0.300 . 1 . . . . A 29 GLU C . 36445 1 352 . 1 . 1 29 29 GLU CA C 13 51.618 0.300 . 1 . . . . A 29 GLU CA . 36445 1 353 . 1 . 1 29 29 GLU CB C 13 25.477 0.300 . 1 . . . . A 29 GLU CB . 36445 1 354 . 1 . 1 29 29 GLU CG C 13 31.533 0.300 . 1 . . . . A 29 GLU CG . 36445 1 355 . 1 . 1 29 29 GLU N N 15 116.644 0.300 . 1 . . . . A 29 GLU N . 36445 1 356 . 1 . 1 30 30 ILE H H 1 6.670 0.030 . 1 . . . . A 30 ILE H . 36445 1 357 . 1 . 1 30 30 ILE HA H 1 3.927 0.030 . 1 . . . . A 30 ILE HA . 36445 1 358 . 1 . 1 30 30 ILE HB H 1 2.006 0.030 . 1 . . . . A 30 ILE HB . 36445 1 359 . 1 . 1 30 30 ILE HG12 H 1 1.125 0.030 . 2 . . . . A 30 ILE HG12 . 36445 1 360 . 1 . 1 30 30 ILE HG13 H 1 1.416 0.030 . 2 . . . . A 30 ILE HG13 . 36445 1 361 . 1 . 1 30 30 ILE HG21 H 1 0.797 0.030 . 1 . . . . A 30 ILE HG21 . 36445 1 362 . 1 . 1 30 30 ILE HG22 H 1 0.797 0.030 . 1 . . . . A 30 ILE HG22 . 36445 1 363 . 1 . 1 30 30 ILE HG23 H 1 0.797 0.030 . 1 . . . . A 30 ILE HG23 . 36445 1 364 . 1 . 1 30 30 ILE HD11 H 1 0.818 0.030 . 1 . . . . A 30 ILE HD11 . 36445 1 365 . 1 . 1 30 30 ILE HD12 H 1 0.818 0.030 . 1 . . . . A 30 ILE HD12 . 36445 1 366 . 1 . 1 30 30 ILE HD13 H 1 0.818 0.030 . 1 . . . . A 30 ILE HD13 . 36445 1 367 . 1 . 1 30 30 ILE C C 13 172.850 0.300 . 1 . . . . A 30 ILE C . 36445 1 368 . 1 . 1 30 30 ILE CA C 13 60.245 0.300 . 1 . . . . A 30 ILE CA . 36445 1 369 . 1 . 1 30 30 ILE CB C 13 35.476 0.300 . 1 . . . . A 30 ILE CB . 36445 1 370 . 1 . 1 30 30 ILE CG1 C 13 25.931 0.300 . 1 . . . . A 30 ILE CG1 . 36445 1 371 . 1 . 1 30 30 ILE CG2 C 13 14.012 0.300 . 1 . . . . A 30 ILE CG2 . 36445 1 372 . 1 . 1 30 30 ILE CD1 C 13 11.282 0.300 . 1 . . . . A 30 ILE CD1 . 36445 1 373 . 1 . 1 30 30 ILE N N 15 121.107 0.300 . 1 . . . . A 30 ILE N . 36445 1 374 . 1 . 1 31 31 ASN H H 1 8.392 0.030 . 1 . . . . A 31 ASN H . 36445 1 375 . 1 . 1 31 31 ASN HA H 1 4.800 0.030 . 1 . . . . A 31 ASN HA . 36445 1 376 . 1 . 1 31 31 ASN HB2 H 1 2.960 0.030 . 2 . . . . A 31 ASN HB2 . 36445 1 377 . 1 . 1 31 31 ASN HB3 H 1 2.626 0.030 . 2 . . . . A 31 ASN HB3 . 36445 1 378 . 1 . 1 31 31 ASN HD21 H 1 6.833 0.030 . 2 . . . . A 31 ASN HD21 . 36445 1 379 . 1 . 1 31 31 ASN HD22 H 1 7.553 0.030 . 2 . . . . A 31 ASN HD22 . 36445 1 380 . 1 . 1 31 31 ASN C C 13 171.376 0.300 . 1 . . . . A 31 ASN C . 36445 1 381 . 1 . 1 31 31 ASN CA C 13 50.380 0.300 . 1 . . . . A 31 ASN CA . 36445 1 382 . 1 . 1 31 31 ASN CB C 13 35.974 0.300 . 1 . . . . A 31 ASN CB . 36445 1 383 . 1 . 1 31 31 ASN N N 15 117.926 0.300 . 1 . . . . A 31 ASN N . 36445 1 384 . 1 . 1 31 31 ASN ND2 N 15 113.805 0.300 . 1 . . . . A 31 ASN ND2 . 36445 1 385 . 1 . 1 32 32 ASN H H 1 7.849 0.030 . 1 . . . . A 32 ASN H . 36445 1 386 . 1 . 1 32 32 ASN HA H 1 5.094 0.030 . 1 . . . . A 32 ASN HA . 36445 1 387 . 1 . 1 32 32 ASN HB2 H 1 2.871 0.030 . 2 . . . . A 32 ASN HB2 . 36445 1 388 . 1 . 1 32 32 ASN HB3 H 1 3.678 0.030 . 2 . . . . A 32 ASN HB3 . 36445 1 389 . 1 . 1 32 32 ASN HD21 H 1 8.414 0.030 . 2 . . . . A 32 ASN HD21 . 36445 1 390 . 1 . 1 32 32 ASN HD22 H 1 7.088 0.030 . 2 . . . . A 32 ASN HD22 . 36445 1 391 . 1 . 1 32 32 ASN CA C 13 47.086 0.300 . 1 . . . . A 32 ASN CA . 36445 1 392 . 1 . 1 32 32 ASN CB C 13 37.276 0.300 . 1 . . . . A 32 ASN CB . 36445 1 393 . 1 . 1 32 32 ASN N N 15 120.129 0.300 . 1 . . . . A 32 ASN N . 36445 1 394 . 1 . 1 32 32 ASN ND2 N 15 112.788 0.300 . 1 . . . . A 32 ASN ND2 . 36445 1 395 . 1 . 1 33 33 PRO HA H 1 4.330 0.030 . 1 . . . . A 33 PRO HA . 36445 1 396 . 1 . 1 33 33 PRO HB2 H 1 2.358 0.030 . 2 . . . . A 33 PRO HB2 . 36445 1 397 . 1 . 1 33 33 PRO HB3 H 1 1.969 0.030 . 2 . . . . A 33 PRO HB3 . 36445 1 398 . 1 . 1 33 33 PRO HG2 H 1 2.020 0.030 . 1 . . . . A 33 PRO HG2 . 36445 1 399 . 1 . 1 33 33 PRO HG3 H 1 2.020 0.030 . 1 . . . . A 33 PRO HG3 . 36445 1 400 . 1 . 1 33 33 PRO HD2 H 1 4.111 0.030 . 2 . . . . A 33 PRO HD2 . 36445 1 401 . 1 . 1 33 33 PRO HD3 H 1 3.981 0.030 . 2 . . . . A 33 PRO HD3 . 36445 1 402 . 1 . 1 33 33 PRO C C 13 175.535 0.300 . 1 . . . . A 33 PRO C . 36445 1 403 . 1 . 1 33 33 PRO CA C 13 61.295 0.300 . 1 . . . . A 33 PRO CA . 36445 1 404 . 1 . 1 33 33 PRO CB C 13 29.522 0.300 . 1 . . . . A 33 PRO CB . 36445 1 405 . 1 . 1 33 33 PRO CG C 13 24.324 0.300 . 1 . . . . A 33 PRO CG . 36445 1 406 . 1 . 1 33 33 PRO CD C 13 48.683 0.300 . 1 . . . . A 33 PRO CD . 36445 1 407 . 1 . 1 34 34 LYS H H 1 7.667 0.030 . 1 . . . . A 34 LYS H . 36445 1 408 . 1 . 1 34 34 LYS HA H 1 3.871 0.030 . 1 . . . . A 34 LYS HA . 36445 1 409 . 1 . 1 34 34 LYS HB2 H 1 1.242 0.030 . 2 . . . . A 34 LYS HB2 . 36445 1 410 . 1 . 1 34 34 LYS HB3 H 1 1.424 0.030 . 2 . . . . A 34 LYS HB3 . 36445 1 411 . 1 . 1 34 34 LYS HG2 H 1 1.026 0.030 . 2 . . . . A 34 LYS HG2 . 36445 1 412 . 1 . 1 34 34 LYS HG3 H 1 1.301 0.030 . 2 . . . . A 34 LYS HG3 . 36445 1 413 . 1 . 1 34 34 LYS HD2 H 1 1.491 0.030 . 1 . . . . A 34 LYS HD2 . 36445 1 414 . 1 . 1 34 34 LYS HD3 H 1 1.491 0.030 . 1 . . . . A 34 LYS HD3 . 36445 1 415 . 1 . 1 34 34 LYS HE2 H 1 2.848 0.030 . 2 . . . . A 34 LYS HE2 . 36445 1 416 . 1 . 1 34 34 LYS HE3 H 1 2.881 0.030 . 2 . . . . A 34 LYS HE3 . 36445 1 417 . 1 . 1 34 34 LYS C C 13 173.786 0.300 . 1 . . . . A 34 LYS C . 36445 1 418 . 1 . 1 34 34 LYS CA C 13 55.989 0.300 . 1 . . . . A 34 LYS CA . 36445 1 419 . 1 . 1 34 34 LYS CB C 13 29.995 0.300 . 1 . . . . A 34 LYS CB . 36445 1 420 . 1 . 1 34 34 LYS CG C 13 22.921 0.300 . 1 . . . . A 34 LYS CG . 36445 1 421 . 1 . 1 34 34 LYS CD C 13 26.689 0.300 . 1 . . . . A 34 LYS CD . 36445 1 422 . 1 . 1 34 34 LYS CE C 13 39.231 0.300 . 1 . . . . A 34 LYS CE . 36445 1 423 . 1 . 1 34 34 LYS N N 15 118.027 0.300 . 1 . . . . A 34 LYS N . 36445 1 424 . 1 . 1 35 35 PHE H H 1 7.362 0.030 . 1 . . . . A 35 PHE H . 36445 1 425 . 1 . 1 35 35 PHE HA H 1 4.266 0.030 . 1 . . . . A 35 PHE HA . 36445 1 426 . 1 . 1 35 35 PHE HB2 H 1 2.380 0.030 . 2 . . . . A 35 PHE HB2 . 36445 1 427 . 1 . 1 35 35 PHE HB3 H 1 3.046 0.030 . 2 . . . . A 35 PHE HB3 . 36445 1 428 . 1 . 1 35 35 PHE HD1 H 1 6.787 0.030 . 1 . . . . A 35 PHE HD1 . 36445 1 429 . 1 . 1 35 35 PHE HD2 H 1 6.787 0.030 . 1 . . . . A 35 PHE HD2 . 36445 1 430 . 1 . 1 35 35 PHE HE1 H 1 7.132 0.030 . 1 . . . . A 35 PHE HE1 . 36445 1 431 . 1 . 1 35 35 PHE HE2 H 1 7.132 0.030 . 1 . . . . A 35 PHE HE2 . 36445 1 432 . 1 . 1 35 35 PHE HZ H 1 6.888 0.030 . 1 . . . . A 35 PHE HZ . 36445 1 433 . 1 . 1 35 35 PHE C C 13 173.372 0.300 . 1 . . . . A 35 PHE C . 36445 1 434 . 1 . 1 35 35 PHE CA C 13 54.954 0.300 . 1 . . . . A 35 PHE CA . 36445 1 435 . 1 . 1 35 35 PHE CB C 13 35.937 0.300 . 1 . . . . A 35 PHE CB . 36445 1 436 . 1 . 1 35 35 PHE CD1 C 13 129.161 0.300 . 1 . . . . A 35 PHE CD1 . 36445 1 437 . 1 . 1 35 35 PHE CD2 C 13 129.161 0.300 . 1 . . . . A 35 PHE CD2 . 36445 1 438 . 1 . 1 35 35 PHE CE1 C 13 127.740 0.300 . 1 . . . . A 35 PHE CE1 . 36445 1 439 . 1 . 1 35 35 PHE CE2 C 13 127.740 0.300 . 1 . . . . A 35 PHE CE2 . 36445 1 440 . 1 . 1 35 35 PHE CZ C 13 126.293 0.300 . 1 . . . . A 35 PHE CZ . 36445 1 441 . 1 . 1 35 35 PHE N N 15 111.201 0.300 . 1 . . . . A 35 PHE N . 36445 1 442 . 1 . 1 36 36 ASN H H 1 7.452 0.030 . 1 . . . . A 36 ASN H . 36445 1 443 . 1 . 1 36 36 ASN HA H 1 4.230 0.030 . 1 . . . . A 36 ASN HA . 36445 1 444 . 1 . 1 36 36 ASN HB2 H 1 2.911 0.030 . 2 . . . . A 36 ASN HB2 . 36445 1 445 . 1 . 1 36 36 ASN HB3 H 1 3.085 0.030 . 2 . . . . A 36 ASN HB3 . 36445 1 446 . 1 . 1 36 36 ASN HD21 H 1 7.883 0.030 . 2 . . . . A 36 ASN HD21 . 36445 1 447 . 1 . 1 36 36 ASN HD22 H 1 6.898 0.030 . 2 . . . . A 36 ASN HD22 . 36445 1 448 . 1 . 1 36 36 ASN C C 13 173.229 0.300 . 1 . . . . A 36 ASN C . 36445 1 449 . 1 . 1 36 36 ASN CA C 13 53.195 0.300 . 1 . . . . A 36 ASN CA . 36445 1 450 . 1 . 1 36 36 ASN CB C 13 34.417 0.300 . 1 . . . . A 36 ASN CB . 36445 1 451 . 1 . 1 36 36 ASN N N 15 120.967 0.300 . 1 . . . . A 36 ASN N . 36445 1 452 . 1 . 1 36 36 ASN ND2 N 15 110.901 0.300 . 1 . . . . A 36 ASN ND2 . 36445 1 453 . 1 . 1 37 37 PHE H H 1 7.192 0.030 . 1 . . . . A 37 PHE H . 36445 1 454 . 1 . 1 37 37 PHE HA H 1 4.481 0.030 . 1 . . . . A 37 PHE HA . 36445 1 455 . 1 . 1 37 37 PHE HB2 H 1 2.898 0.030 . 2 . . . . A 37 PHE HB2 . 36445 1 456 . 1 . 1 37 37 PHE HB3 H 1 2.967 0.030 . 2 . . . . A 37 PHE HB3 . 36445 1 457 . 1 . 1 37 37 PHE HD1 H 1 6.789 0.030 . 1 . . . . A 37 PHE HD1 . 36445 1 458 . 1 . 1 37 37 PHE HD2 H 1 6.789 0.030 . 1 . . . . A 37 PHE HD2 . 36445 1 459 . 1 . 1 37 37 PHE HE1 H 1 7.082 0.030 . 1 . . . . A 37 PHE HE1 . 36445 1 460 . 1 . 1 37 37 PHE HE2 H 1 7.082 0.030 . 1 . . . . A 37 PHE HE2 . 36445 1 461 . 1 . 1 37 37 PHE HZ H 1 7.412 0.030 . 1 . . . . A 37 PHE HZ . 36445 1 462 . 1 . 1 37 37 PHE C C 13 171.982 0.300 . 1 . . . . A 37 PHE C . 36445 1 463 . 1 . 1 37 37 PHE CA C 13 55.630 0.300 . 1 . . . . A 37 PHE CA . 36445 1 464 . 1 . 1 37 37 PHE CB C 13 35.307 0.300 . 1 . . . . A 37 PHE CB . 36445 1 465 . 1 . 1 37 37 PHE CD1 C 13 129.241 0.300 . 1 . . . . A 37 PHE CD1 . 36445 1 466 . 1 . 1 37 37 PHE CD2 C 13 129.241 0.300 . 1 . . . . A 37 PHE CD2 . 36445 1 467 . 1 . 1 37 37 PHE CE1 C 13 129.948 0.300 . 1 . . . . A 37 PHE CE1 . 36445 1 468 . 1 . 1 37 37 PHE CE2 C 13 129.948 0.300 . 1 . . . . A 37 PHE CE2 . 36445 1 469 . 1 . 1 37 37 PHE CZ C 13 126.556 0.300 . 1 . . . . A 37 PHE CZ . 36445 1 470 . 1 . 1 37 37 PHE N N 15 113.253 0.300 . 1 . . . . A 37 PHE N . 36445 1 471 . 1 . 1 38 38 LEU H H 1 6.818 0.030 . 1 . . . . A 38 LEU H . 36445 1 472 . 1 . 1 38 38 LEU HA H 1 3.780 0.030 . 1 . . . . A 38 LEU HA . 36445 1 473 . 1 . 1 38 38 LEU HB2 H 1 1.180 0.030 . 2 . . . . A 38 LEU HB2 . 36445 1 474 . 1 . 1 38 38 LEU HB3 H 1 1.551 0.030 . 2 . . . . A 38 LEU HB3 . 36445 1 475 . 1 . 1 38 38 LEU HG H 1 0.651 0.030 . 1 . . . . A 38 LEU HG . 36445 1 476 . 1 . 1 38 38 LEU HD11 H 1 0.561 0.030 . 2 . . . . A 38 LEU HD11 . 36445 1 477 . 1 . 1 38 38 LEU HD12 H 1 0.561 0.030 . 2 . . . . A 38 LEU HD12 . 36445 1 478 . 1 . 1 38 38 LEU HD13 H 1 0.561 0.030 . 2 . . . . A 38 LEU HD13 . 36445 1 479 . 1 . 1 38 38 LEU HD21 H 1 0.344 0.030 . 2 . . . . A 38 LEU HD21 . 36445 1 480 . 1 . 1 38 38 LEU HD22 H 1 0.344 0.030 . 2 . . . . A 38 LEU HD22 . 36445 1 481 . 1 . 1 38 38 LEU HD23 H 1 0.344 0.030 . 2 . . . . A 38 LEU HD23 . 36445 1 482 . 1 . 1 38 38 LEU C C 13 175.958 0.300 . 1 . . . . A 38 LEU C . 36445 1 483 . 1 . 1 38 38 LEU CA C 13 53.035 0.300 . 1 . . . . A 38 LEU CA . 36445 1 484 . 1 . 1 38 38 LEU CB C 13 39.194 0.300 . 1 . . . . A 38 LEU CB . 36445 1 485 . 1 . 1 38 38 LEU CG C 13 23.332 0.300 . 1 . . . . A 38 LEU CG . 36445 1 486 . 1 . 1 38 38 LEU CD1 C 13 23.617 0.300 . 2 . . . . A 38 LEU CD1 . 36445 1 487 . 1 . 1 38 38 LEU CD2 C 13 21.225 0.300 . 2 . . . . A 38 LEU CD2 . 36445 1 488 . 1 . 1 38 38 LEU N N 15 119.204 0.300 . 1 . . . . A 38 LEU N . 36445 1 489 . 1 . 1 39 39 ASN H H 1 8.174 0.030 . 1 . . . . A 39 ASN H . 36445 1 490 . 1 . 1 39 39 ASN HA H 1 4.658 0.030 . 1 . . . . A 39 ASN HA . 36445 1 491 . 1 . 1 39 39 ASN HB2 H 1 3.011 0.030 . 2 . . . . A 39 ASN HB2 . 36445 1 492 . 1 . 1 39 39 ASN HB3 H 1 2.822 0.030 . 2 . . . . A 39 ASN HB3 . 36445 1 493 . 1 . 1 39 39 ASN HD21 H 1 7.008 0.030 . 2 . . . . A 39 ASN HD21 . 36445 1 494 . 1 . 1 39 39 ASN HD22 H 1 7.691 0.030 . 2 . . . . A 39 ASN HD22 . 36445 1 495 . 1 . 1 39 39 ASN CA C 13 48.022 0.300 . 1 . . . . A 39 ASN CA . 36445 1 496 . 1 . 1 39 39 ASN CB C 13 36.478 0.300 . 1 . . . . A 39 ASN CB . 36445 1 497 . 1 . 1 39 39 ASN N N 15 120.916 0.300 . 1 . . . . A 39 ASN N . 36445 1 498 . 1 . 1 39 39 ASN ND2 N 15 114.368 0.300 . 1 . . . . A 39 ASN ND2 . 36445 1 499 . 1 . 1 40 40 PRO HA H 1 2.984 0.030 . 1 . . . . A 40 PRO HA . 36445 1 500 . 1 . 1 40 40 PRO HB2 H 1 1.966 0.030 . 2 . . . . A 40 PRO HB2 . 36445 1 501 . 1 . 1 40 40 PRO HB3 H 1 1.674 0.030 . 2 . . . . A 40 PRO HB3 . 36445 1 502 . 1 . 1 40 40 PRO HG2 H 1 1.714 0.030 . 2 . . . . A 40 PRO HG2 . 36445 1 503 . 1 . 1 40 40 PRO HG3 H 1 1.844 0.030 . 2 . . . . A 40 PRO HG3 . 36445 1 504 . 1 . 1 40 40 PRO HD2 H 1 3.551 0.030 . 2 . . . . A 40 PRO HD2 . 36445 1 505 . 1 . 1 40 40 PRO HD3 H 1 3.730 0.030 . 2 . . . . A 40 PRO HD3 . 36445 1 506 . 1 . 1 40 40 PRO C C 13 173.785 0.300 . 1 . . . . A 40 PRO C . 36445 1 507 . 1 . 1 40 40 PRO CA C 13 60.572 0.300 . 1 . . . . A 40 PRO CA . 36445 1 508 . 1 . 1 40 40 PRO CB C 13 29.103 0.300 . 1 . . . . A 40 PRO CB . 36445 1 509 . 1 . 1 40 40 PRO CG C 13 24.610 0.300 . 1 . . . . A 40 PRO CG . 36445 1 510 . 1 . 1 40 40 PRO CD C 13 47.880 0.300 . 1 . . . . A 40 PRO CD . 36445 1 511 . 1 . 1 41 41 ASN H H 1 8.012 0.030 . 1 . . . . A 41 ASN H . 36445 1 512 . 1 . 1 41 41 ASN HA H 1 4.627 0.030 . 1 . . . . A 41 ASN HA . 36445 1 513 . 1 . 1 41 41 ASN HB2 H 1 2.700 0.030 . 2 . . . . A 41 ASN HB2 . 36445 1 514 . 1 . 1 41 41 ASN HB3 H 1 2.786 0.030 . 2 . . . . A 41 ASN HB3 . 36445 1 515 . 1 . 1 41 41 ASN HD21 H 1 7.469 0.030 . 2 . . . . A 41 ASN HD21 . 36445 1 516 . 1 . 1 41 41 ASN HD22 H 1 6.834 0.030 . 2 . . . . A 41 ASN HD22 . 36445 1 517 . 1 . 1 41 41 ASN C C 13 172.761 0.300 . 1 . . . . A 41 ASN C . 36445 1 518 . 1 . 1 41 41 ASN CA C 13 50.161 0.300 . 1 . . . . A 41 ASN CA . 36445 1 519 . 1 . 1 41 41 ASN CB C 13 35.654 0.300 . 1 . . . . A 41 ASN CB . 36445 1 520 . 1 . 1 41 41 ASN N N 15 112.959 0.300 . 1 . . . . A 41 ASN N . 36445 1 521 . 1 . 1 41 41 ASN ND2 N 15 112.675 0.300 . 1 . . . . A 41 ASN ND2 . 36445 1 522 . 1 . 1 42 42 ASP H H 1 8.163 0.030 . 1 . . . . A 42 ASP H . 36445 1 523 . 1 . 1 42 42 ASP HA H 1 4.759 0.030 . 1 . . . . A 42 ASP HA . 36445 1 524 . 1 . 1 42 42 ASP HB2 H 1 2.811 0.030 . 2 . . . . A 42 ASP HB2 . 36445 1 525 . 1 . 1 42 42 ASP HB3 H 1 2.920 0.030 . 2 . . . . A 42 ASP HB3 . 36445 1 526 . 1 . 1 42 42 ASP CA C 13 51.217 0.300 . 1 . . . . A 42 ASP CA . 36445 1 527 . 1 . 1 42 42 ASP CB C 13 43.898 0.300 . 1 . . . . A 42 ASP CB . 36445 1 528 . 1 . 1 42 42 ASP N N 15 124.806 0.300 . 1 . . . . A 42 ASP N . 36445 1 529 . 1 . 1 43 43 PRO HA H 1 4.405 0.030 . 1 . . . . A 43 PRO HA . 36445 1 530 . 1 . 1 43 43 PRO HB2 H 1 1.706 0.030 . 2 . . . . A 43 PRO HB2 . 36445 1 531 . 1 . 1 43 43 PRO HB3 H 1 2.312 0.030 . 2 . . . . A 43 PRO HB3 . 36445 1 532 . 1 . 1 43 43 PRO HG2 H 1 2.029 0.030 . 1 . . . . A 43 PRO HG2 . 36445 1 533 . 1 . 1 43 43 PRO HG3 H 1 2.029 0.030 . 1 . . . . A 43 PRO HG3 . 36445 1 534 . 1 . 1 43 43 PRO HD2 H 1 3.863 0.030 . 1 . . . . A 43 PRO HD2 . 36445 1 535 . 1 . 1 43 43 PRO HD3 H 1 3.863 0.030 . 1 . . . . A 43 PRO HD3 . 36445 1 536 . 1 . 1 43 43 PRO C C 13 174.886 0.300 . 1 . . . . A 43 PRO C . 36445 1 537 . 1 . 1 43 43 PRO CA C 13 62.366 0.300 . 1 . . . . A 43 PRO CA . 36445 1 538 . 1 . 1 43 43 PRO CB C 13 29.802 0.300 . 1 . . . . A 43 PRO CB . 36445 1 539 . 1 . 1 43 43 PRO CG C 13 24.862 0.300 . 1 . . . . A 43 PRO CG . 36445 1 540 . 1 . 1 43 43 PRO CD C 13 48.888 0.300 . 1 . . . . A 43 PRO CD . 36445 1 541 . 1 . 1 44 44 TYR H H 1 9.467 0.030 . 1 . . . . A 44 TYR H . 36445 1 542 . 1 . 1 44 44 TYR HA H 1 4.688 0.030 . 1 . . . . A 44 TYR HA . 36445 1 543 . 1 . 1 44 44 TYR HB2 H 1 3.065 0.030 . 2 . . . . A 44 TYR HB2 . 36445 1 544 . 1 . 1 44 44 TYR HB3 H 1 3.312 0.030 . 2 . . . . A 44 TYR HB3 . 36445 1 545 . 1 . 1 44 44 TYR HD1 H 1 7.120 0.030 . 1 . . . . A 44 TYR HD1 . 36445 1 546 . 1 . 1 44 44 TYR HD2 H 1 7.120 0.030 . 1 . . . . A 44 TYR HD2 . 36445 1 547 . 1 . 1 44 44 TYR HE1 H 1 6.596 0.030 . 1 . . . . A 44 TYR HE1 . 36445 1 548 . 1 . 1 44 44 TYR HE2 H 1 6.596 0.030 . 1 . . . . A 44 TYR HE2 . 36445 1 549 . 1 . 1 44 44 TYR C C 13 173.609 0.300 . 1 . . . . A 44 TYR C . 36445 1 550 . 1 . 1 44 44 TYR CA C 13 56.572 0.300 . 1 . . . . A 44 TYR CA . 36445 1 551 . 1 . 1 44 44 TYR CB C 13 36.013 0.300 . 1 . . . . A 44 TYR CB . 36445 1 552 . 1 . 1 44 44 TYR CD1 C 13 129.990 0.300 . 1 . . . . A 44 TYR CD1 . 36445 1 553 . 1 . 1 44 44 TYR CD2 C 13 129.990 0.300 . 1 . . . . A 44 TYR CD2 . 36445 1 554 . 1 . 1 44 44 TYR CE1 C 13 115.453 0.300 . 1 . . . . A 44 TYR CE1 . 36445 1 555 . 1 . 1 44 44 TYR CE2 C 13 115.453 0.300 . 1 . . . . A 44 TYR CE2 . 36445 1 556 . 1 . 1 44 44 TYR N N 15 117.446 0.300 . 1 . . . . A 44 TYR N . 36445 1 557 . 1 . 1 45 45 HIS H H 1 8.396 0.030 . 1 . . . . A 45 HIS H . 36445 1 558 . 1 . 1 45 45 HIS HA H 1 4.759 0.030 . 1 . . . . A 45 HIS HA . 36445 1 559 . 1 . 1 45 45 HIS HB2 H 1 3.224 0.030 . 2 . . . . A 45 HIS HB2 . 36445 1 560 . 1 . 1 45 45 HIS HB3 H 1 3.598 0.030 . 2 . . . . A 45 HIS HB3 . 36445 1 561 . 1 . 1 45 45 HIS HD2 H 1 6.948 0.030 . 1 . . . . A 45 HIS HD2 . 36445 1 562 . 1 . 1 45 45 HIS HE1 H 1 7.659 0.030 . 1 . . . . A 45 HIS HE1 . 36445 1 563 . 1 . 1 45 45 HIS C C 13 174.367 0.300 . 1 . . . . A 45 HIS C . 36445 1 564 . 1 . 1 45 45 HIS CA C 13 58.608 0.300 . 1 . . . . A 45 HIS CA . 36445 1 565 . 1 . 1 45 45 HIS CB C 13 26.640 0.300 . 1 . . . . A 45 HIS CB . 36445 1 566 . 1 . 1 45 45 HIS CD2 C 13 125.452 0.300 . 1 . . . . A 45 HIS CD2 . 36445 1 567 . 1 . 1 45 45 HIS CE1 C 13 135.155 0.300 . 1 . . . . A 45 HIS CE1 . 36445 1 568 . 1 . 1 45 45 HIS N N 15 122.192 0.300 . 1 . . . . A 45 HIS N . 36445 1 569 . 1 . 1 46 46 ALA H H 1 8.672 0.030 . 1 . . . . A 46 ALA H . 36445 1 570 . 1 . 1 46 46 ALA HA H 1 4.039 0.030 . 1 . . . . A 46 ALA HA . 36445 1 571 . 1 . 1 46 46 ALA HB1 H 1 1.462 0.030 . 1 . . . . A 46 ALA HB1 . 36445 1 572 . 1 . 1 46 46 ALA HB2 H 1 1.462 0.030 . 1 . . . . A 46 ALA HB2 . 36445 1 573 . 1 . 1 46 46 ALA HB3 H 1 1.462 0.030 . 1 . . . . A 46 ALA HB3 . 36445 1 574 . 1 . 1 46 46 ALA C C 13 178.029 0.300 . 1 . . . . A 46 ALA C . 36445 1 575 . 1 . 1 46 46 ALA CA C 13 52.936 0.300 . 1 . . . . A 46 ALA CA . 36445 1 576 . 1 . 1 46 46 ALA CB C 13 14.682 0.300 . 1 . . . . A 46 ALA CB . 36445 1 577 . 1 . 1 46 46 ALA N N 15 120.142 0.300 . 1 . . . . A 46 ALA N . 36445 1 578 . 1 . 1 47 47 TYR H H 1 8.251 0.030 . 1 . . . . A 47 TYR H . 36445 1 579 . 1 . 1 47 47 TYR HA H 1 4.159 0.030 . 1 . . . . A 47 TYR HA . 36445 1 580 . 1 . 1 47 47 TYR HB2 H 1 3.223 0.030 . 2 . . . . A 47 TYR HB2 . 36445 1 581 . 1 . 1 47 47 TYR HB3 H 1 2.997 0.030 . 2 . . . . A 47 TYR HB3 . 36445 1 582 . 1 . 1 47 47 TYR HD1 H 1 7.055 0.030 . 1 . . . . A 47 TYR HD1 . 36445 1 583 . 1 . 1 47 47 TYR HD2 H 1 7.055 0.030 . 1 . . . . A 47 TYR HD2 . 36445 1 584 . 1 . 1 47 47 TYR HE1 H 1 6.807 0.030 . 1 . . . . A 47 TYR HE1 . 36445 1 585 . 1 . 1 47 47 TYR HE2 H 1 6.807 0.030 . 1 . . . . A 47 TYR HE2 . 36445 1 586 . 1 . 1 47 47 TYR C C 13 173.979 0.300 . 1 . . . . A 47 TYR C . 36445 1 587 . 1 . 1 47 47 TYR CA C 13 58.807 0.300 . 1 . . . . A 47 TYR CA . 36445 1 588 . 1 . 1 47 47 TYR CB C 13 35.500 0.300 . 1 . . . . A 47 TYR CB . 36445 1 589 . 1 . 1 47 47 TYR CD1 C 13 130.263 0.300 . 1 . . . . A 47 TYR CD1 . 36445 1 590 . 1 . 1 47 47 TYR CD2 C 13 130.263 0.300 . 1 . . . . A 47 TYR CD2 . 36445 1 591 . 1 . 1 47 47 TYR CE1 C 13 116.218 0.300 . 1 . . . . A 47 TYR CE1 . 36445 1 592 . 1 . 1 47 47 TYR CE2 C 13 116.218 0.300 . 1 . . . . A 47 TYR CE2 . 36445 1 593 . 1 . 1 47 47 TYR N N 15 120.987 0.300 . 1 . . . . A 47 TYR N . 36445 1 594 . 1 . 1 48 48 TYR H H 1 8.169 0.030 . 1 . . . . A 48 TYR H . 36445 1 595 . 1 . 1 48 48 TYR HA H 1 3.748 0.030 . 1 . . . . A 48 TYR HA . 36445 1 596 . 1 . 1 48 48 TYR HB2 H 1 3.141 0.030 . 2 . . . . A 48 TYR HB2 . 36445 1 597 . 1 . 1 48 48 TYR HB3 H 1 3.415 0.030 . 2 . . . . A 48 TYR HB3 . 36445 1 598 . 1 . 1 48 48 TYR HD1 H 1 7.058 0.030 . 3 . . . . A 48 TYR HD1 . 36445 1 599 . 1 . 1 48 48 TYR HD2 H 1 6.796 0.030 . 3 . . . . A 48 TYR HD2 . 36445 1 600 . 1 . 1 48 48 TYR HE1 H 1 6.458 0.030 . 3 . . . . A 48 TYR HE1 . 36445 1 601 . 1 . 1 48 48 TYR HE2 H 1 6.553 0.030 . 3 . . . . A 48 TYR HE2 . 36445 1 602 . 1 . 1 48 48 TYR C C 13 173.393 0.300 . 1 . . . . A 48 TYR C . 36445 1 603 . 1 . 1 48 48 TYR CA C 13 58.626 0.300 . 1 . . . . A 48 TYR CA . 36445 1 604 . 1 . 1 48 48 TYR CB C 13 34.685 0.300 . 1 . . . . A 48 TYR CB . 36445 1 605 . 1 . 1 48 48 TYR CD1 C 13 130.463 0.300 . 3 . . . . A 48 TYR CD1 . 36445 1 606 . 1 . 1 48 48 TYR CD2 C 13 129.954 0.300 . 3 . . . . A 48 TYR CD2 . 36445 1 607 . 1 . 1 48 48 TYR CE1 C 13 114.715 0.300 . 3 . . . . A 48 TYR CE1 . 36445 1 608 . 1 . 1 48 48 TYR CE2 C 13 114.743 0.300 . 3 . . . . A 48 TYR CE2 . 36445 1 609 . 1 . 1 48 48 TYR N N 15 120.508 0.300 . 1 . . . . A 48 TYR N . 36445 1 610 . 1 . 1 49 49 ARG H H 1 8.565 0.030 . 1 . . . . A 49 ARG H . 36445 1 611 . 1 . 1 49 49 ARG HA H 1 3.250 0.030 . 1 . . . . A 49 ARG HA . 36445 1 612 . 1 . 1 49 49 ARG HB2 H 1 1.641 0.030 . 2 . . . . A 49 ARG HB2 . 36445 1 613 . 1 . 1 49 49 ARG HB3 H 1 1.857 0.030 . 2 . . . . A 49 ARG HB3 . 36445 1 614 . 1 . 1 49 49 ARG HG2 H 1 1.186 0.030 . 2 . . . . A 49 ARG HG2 . 36445 1 615 . 1 . 1 49 49 ARG HG3 H 1 1.565 0.030 . 2 . . . . A 49 ARG HG3 . 36445 1 616 . 1 . 1 49 49 ARG HD2 H 1 3.192 0.030 . 2 . . . . A 49 ARG HD2 . 36445 1 617 . 1 . 1 49 49 ARG HD3 H 1 3.126 0.030 . 2 . . . . A 49 ARG HD3 . 36445 1 618 . 1 . 1 49 49 ARG C C 13 177.149 0.300 . 1 . . . . A 49 ARG C . 36445 1 619 . 1 . 1 49 49 ARG CA C 13 55.992 0.300 . 1 . . . . A 49 ARG CA . 36445 1 620 . 1 . 1 49 49 ARG CB C 13 26.654 0.300 . 1 . . . . A 49 ARG CB . 36445 1 621 . 1 . 1 49 49 ARG CG C 13 23.953 0.300 . 1 . . . . A 49 ARG CG . 36445 1 622 . 1 . 1 49 49 ARG CD C 13 40.479 0.300 . 1 . . . . A 49 ARG CD . 36445 1 623 . 1 . 1 49 49 ARG N N 15 117.859 0.300 . 1 . . . . A 49 ARG N . 36445 1 624 . 1 . 1 50 50 HIS H H 1 8.001 0.030 . 1 . . . . A 50 HIS H . 36445 1 625 . 1 . 1 50 50 HIS HA H 1 4.163 0.030 . 1 . . . . A 50 HIS HA . 36445 1 626 . 1 . 1 50 50 HIS HB2 H 1 3.174 0.030 . 2 . . . . A 50 HIS HB2 . 36445 1 627 . 1 . 1 50 50 HIS HB3 H 1 3.033 0.030 . 2 . . . . A 50 HIS HB3 . 36445 1 628 . 1 . 1 50 50 HIS HD2 H 1 6.631 0.030 . 1 . . . . A 50 HIS HD2 . 36445 1 629 . 1 . 1 50 50 HIS HE1 H 1 7.678 0.030 . 1 . . . . A 50 HIS HE1 . 36445 1 630 . 1 . 1 50 50 HIS C C 13 174.928 0.300 . 1 . . . . A 50 HIS C . 36445 1 631 . 1 . 1 50 50 HIS CA C 13 56.572 0.300 . 1 . . . . A 50 HIS CA . 36445 1 632 . 1 . 1 50 50 HIS CB C 13 26.959 0.300 . 1 . . . . A 50 HIS CB . 36445 1 633 . 1 . 1 50 50 HIS CD2 C 13 116.933 0.300 . 1 . . . . A 50 HIS CD2 . 36445 1 634 . 1 . 1 50 50 HIS CE1 C 13 135.772 0.300 . 1 . . . . A 50 HIS CE1 . 36445 1 635 . 1 . 1 50 50 HIS N N 15 120.214 0.300 . 1 . . . . A 50 HIS N . 36445 1 636 . 1 . 1 51 51 LYS H H 1 8.052 0.030 . 1 . . . . A 51 LYS H . 36445 1 637 . 1 . 1 51 51 LYS HA H 1 3.508 0.030 . 1 . . . . A 51 LYS HA . 36445 1 638 . 1 . 1 51 51 LYS HB2 H 1 1.302 0.030 . 2 . . . . A 51 LYS HB2 . 36445 1 639 . 1 . 1 51 51 LYS HB3 H 1 1.499 0.030 . 2 . . . . A 51 LYS HB3 . 36445 1 640 . 1 . 1 51 51 LYS HG2 H 1 1.124 0.030 . 2 . . . . A 51 LYS HG2 . 36445 1 641 . 1 . 1 51 51 LYS HG3 H 1 0.967 0.030 . 2 . . . . A 51 LYS HG3 . 36445 1 642 . 1 . 1 51 51 LYS HD2 H 1 1.299 0.030 . 2 . . . . A 51 LYS HD2 . 36445 1 643 . 1 . 1 51 51 LYS HD3 H 1 1.175 0.030 . 2 . . . . A 51 LYS HD3 . 36445 1 644 . 1 . 1 51 51 LYS HE2 H 1 2.461 0.030 . 2 . . . . A 51 LYS HE2 . 36445 1 645 . 1 . 1 51 51 LYS HE3 H 1 2.579 0.030 . 2 . . . . A 51 LYS HE3 . 36445 1 646 . 1 . 1 51 51 LYS C C 13 175.627 0.300 . 1 . . . . A 51 LYS C . 36445 1 647 . 1 . 1 51 51 LYS CA C 13 53.797 0.300 . 1 . . . . A 51 LYS CA . 36445 1 648 . 1 . 1 51 51 LYS CB C 13 26.689 0.300 . 1 . . . . A 51 LYS CB . 36445 1 649 . 1 . 1 51 51 LYS CG C 13 20.013 0.300 . 1 . . . . A 51 LYS CG . 36445 1 650 . 1 . 1 51 51 LYS CD C 13 23.550 0.300 . 1 . . . . A 51 LYS CD . 36445 1 651 . 1 . 1 51 51 LYS CE C 13 38.577 0.300 . 1 . . . . A 51 LYS CE . 36445 1 652 . 1 . 1 51 51 LYS N N 15 120.507 0.300 . 1 . . . . A 51 LYS N . 36445 1 653 . 1 . 1 52 52 VAL H H 1 8.144 0.030 . 1 . . . . A 52 VAL H . 36445 1 654 . 1 . 1 52 52 VAL HA H 1 3.343 0.030 . 1 . . . . A 52 VAL HA . 36445 1 655 . 1 . 1 52 52 VAL HB H 1 1.778 0.030 . 1 . . . . A 52 VAL HB . 36445 1 656 . 1 . 1 52 52 VAL HG11 H 1 0.728 0.030 . 2 . . . . A 52 VAL HG11 . 36445 1 657 . 1 . 1 52 52 VAL HG12 H 1 0.728 0.030 . 2 . . . . A 52 VAL HG12 . 36445 1 658 . 1 . 1 52 52 VAL HG13 H 1 0.728 0.030 . 2 . . . . A 52 VAL HG13 . 36445 1 659 . 1 . 1 52 52 VAL HG21 H 1 0.568 0.030 . 2 . . . . A 52 VAL HG21 . 36445 1 660 . 1 . 1 52 52 VAL HG22 H 1 0.568 0.030 . 2 . . . . A 52 VAL HG22 . 36445 1 661 . 1 . 1 52 52 VAL HG23 H 1 0.568 0.030 . 2 . . . . A 52 VAL HG23 . 36445 1 662 . 1 . 1 52 52 VAL C C 13 175.219 0.300 . 1 . . . . A 52 VAL C . 36445 1 663 . 1 . 1 52 52 VAL CA C 13 64.993 0.300 . 1 . . . . A 52 VAL CA . 36445 1 664 . 1 . 1 52 52 VAL CB C 13 28.990 0.300 . 1 . . . . A 52 VAL CB . 36445 1 665 . 1 . 1 52 52 VAL CG1 C 13 19.075 0.300 . 2 . . . . A 52 VAL CG1 . 36445 1 666 . 1 . 1 52 52 VAL CG2 C 13 20.096 0.300 . 2 . . . . A 52 VAL CG2 . 36445 1 667 . 1 . 1 52 52 VAL N N 15 119.190 0.300 . 1 . . . . A 52 VAL N . 36445 1 668 . 1 . 1 53 53 SER H H 1 7.292 0.030 . 1 . . . . A 53 SER H . 36445 1 669 . 1 . 1 53 53 SER HA H 1 3.981 0.030 . 1 . . . . A 53 SER HA . 36445 1 670 . 1 . 1 53 53 SER HB2 H 1 3.830 0.030 . 1 . . . . A 53 SER HB2 . 36445 1 671 . 1 . 1 53 53 SER HB3 H 1 3.830 0.030 . 1 . . . . A 53 SER HB3 . 36445 1 672 . 1 . 1 53 53 SER C C 13 173.726 0.300 . 1 . . . . A 53 SER C . 36445 1 673 . 1 . 1 53 53 SER CA C 13 59.178 0.300 . 1 . . . . A 53 SER CA . 36445 1 674 . 1 . 1 53 53 SER CB C 13 60.022 0.300 . 1 . . . . A 53 SER CB . 36445 1 675 . 1 . 1 53 53 SER N N 15 112.651 0.300 . 1 . . . . A 53 SER N . 36445 1 676 . 1 . 1 54 54 GLU H H 1 7.956 0.030 . 1 . . . . A 54 GLU H . 36445 1 677 . 1 . 1 54 54 GLU HA H 1 3.753 0.030 . 1 . . . . A 54 GLU HA . 36445 1 678 . 1 . 1 54 54 GLU HB2 H 1 1.580 0.030 . 2 . . . . A 54 GLU HB2 . 36445 1 679 . 1 . 1 54 54 GLU HB3 H 1 1.632 0.030 . 2 . . . . A 54 GLU HB3 . 36445 1 680 . 1 . 1 54 54 GLU HG2 H 1 1.947 0.030 . 2 . . . . A 54 GLU HG2 . 36445 1 681 . 1 . 1 54 54 GLU HG3 H 1 1.658 0.030 . 2 . . . . A 54 GLU HG3 . 36445 1 682 . 1 . 1 54 54 GLU C C 13 177.104 0.300 . 1 . . . . A 54 GLU C . 36445 1 683 . 1 . 1 54 54 GLU CA C 13 56.488 0.300 . 1 . . . . A 54 GLU CA . 36445 1 684 . 1 . 1 54 54 GLU CB C 13 27.409 0.300 . 1 . . . . A 54 GLU CB . 36445 1 685 . 1 . 1 54 54 GLU CG C 13 33.466 0.300 . 1 . . . . A 54 GLU CG . 36445 1 686 . 1 . 1 54 54 GLU N N 15 122.720 0.300 . 1 . . . . A 54 GLU N . 36445 1 687 . 1 . 1 55 55 PHE H H 1 8.074 0.030 . 1 . . . . A 55 PHE H . 36445 1 688 . 1 . 1 55 55 PHE HA H 1 4.476 0.030 . 1 . . . . A 55 PHE HA . 36445 1 689 . 1 . 1 55 55 PHE HB2 H 1 3.158 0.030 . 2 . . . . A 55 PHE HB2 . 36445 1 690 . 1 . 1 55 55 PHE HB3 H 1 2.791 0.030 . 2 . . . . A 55 PHE HB3 . 36445 1 691 . 1 . 1 55 55 PHE HD1 H 1 7.048 0.030 . 1 . . . . A 55 PHE HD1 . 36445 1 692 . 1 . 1 55 55 PHE HD2 H 1 7.048 0.030 . 1 . . . . A 55 PHE HD2 . 36445 1 693 . 1 . 1 55 55 PHE HE1 H 1 7.321 0.030 . 1 . . . . A 55 PHE HE1 . 36445 1 694 . 1 . 1 55 55 PHE HE2 H 1 7.321 0.030 . 1 . . . . A 55 PHE HE2 . 36445 1 695 . 1 . 1 55 55 PHE HZ H 1 7.191 0.030 . 1 . . . . A 55 PHE HZ . 36445 1 696 . 1 . 1 55 55 PHE CA C 13 56.899 0.300 . 1 . . . . A 55 PHE CA . 36445 1 697 . 1 . 1 55 55 PHE CB C 13 35.991 0.300 . 1 . . . . A 55 PHE CB . 36445 1 698 . 1 . 1 55 55 PHE CD1 C 13 128.524 0.300 . 1 . . . . A 55 PHE CD1 . 36445 1 699 . 1 . 1 55 55 PHE CD2 C 13 128.524 0.300 . 1 . . . . A 55 PHE CD2 . 36445 1 700 . 1 . 1 55 55 PHE CE1 C 13 128.565 0.300 . 1 . . . . A 55 PHE CE1 . 36445 1 701 . 1 . 1 55 55 PHE CE2 C 13 128.565 0.300 . 1 . . . . A 55 PHE CE2 . 36445 1 702 . 1 . 1 55 55 PHE CZ C 13 126.918 0.300 . 1 . . . . A 55 PHE CZ . 36445 1 703 . 1 . 1 55 55 PHE N N 15 117.281 0.300 . 1 . . . . A 55 PHE N . 36445 1 704 . 1 . 1 56 56 LYS H H 1 8.179 0.030 . 1 . . . . A 56 LYS H . 36445 1 705 . 1 . 1 56 56 LYS HA H 1 4.040 0.030 . 1 . . . . A 56 LYS HA . 36445 1 706 . 1 . 1 56 56 LYS HB2 H 1 1.893 0.030 . 1 . . . . A 56 LYS HB2 . 36445 1 707 . 1 . 1 56 56 LYS HB3 H 1 1.893 0.030 . 1 . . . . A 56 LYS HB3 . 36445 1 708 . 1 . 1 56 56 LYS HG2 H 1 1.685 0.030 . 2 . . . . A 56 LYS HG2 . 36445 1 709 . 1 . 1 56 56 LYS HG3 H 1 1.435 0.030 . 2 . . . . A 56 LYS HG3 . 36445 1 710 . 1 . 1 56 56 LYS HD2 H 1 1.691 0.030 . 1 . . . . A 56 LYS HD2 . 36445 1 711 . 1 . 1 56 56 LYS HD3 H 1 1.691 0.030 . 1 . . . . A 56 LYS HD3 . 36445 1 712 . 1 . 1 56 56 LYS HE2 H 1 2.952 0.030 . 1 . . . . A 56 LYS HE2 . 36445 1 713 . 1 . 1 56 56 LYS HE3 H 1 2.952 0.030 . 1 . . . . A 56 LYS HE3 . 36445 1 714 . 1 . 1 56 56 LYS C C 13 175.128 0.300 . 1 . . . . A 56 LYS C . 36445 1 715 . 1 . 1 56 56 LYS CA C 13 56.255 0.300 . 1 . . . . A 56 LYS CA . 36445 1 716 . 1 . 1 56 56 LYS CB C 13 30.150 0.300 . 1 . . . . A 56 LYS CB . 36445 1 717 . 1 . 1 56 56 LYS CG C 13 22.743 0.300 . 1 . . . . A 56 LYS CG . 36445 1 718 . 1 . 1 56 56 LYS CD C 13 26.663 0.300 . 1 . . . . A 56 LYS CD . 36445 1 719 . 1 . 1 56 56 LYS CE C 13 38.998 0.300 . 1 . . . . A 56 LYS CE . 36445 1 720 . 1 . 1 56 56 LYS N N 15 120.978 0.300 . 1 . . . . A 56 LYS N . 36445 1 721 . 1 . 1 57 57 GLU H H 1 7.862 0.030 . 1 . . . . A 57 GLU H . 36445 1 722 . 1 . 1 57 57 GLU HA H 1 4.154 0.030 . 1 . . . . A 57 GLU HA . 36445 1 723 . 1 . 1 57 57 GLU HB2 H 1 1.947 0.030 . 2 . . . . A 57 GLU HB2 . 36445 1 724 . 1 . 1 57 57 GLU HB3 H 1 2.039 0.030 . 2 . . . . A 57 GLU HB3 . 36445 1 725 . 1 . 1 57 57 GLU HG2 H 1 2.244 0.030 . 2 . . . . A 57 GLU HG2 . 36445 1 726 . 1 . 1 57 57 GLU HG3 H 1 2.317 0.030 . 2 . . . . A 57 GLU HG3 . 36445 1 727 . 1 . 1 57 57 GLU C C 13 174.807 0.300 . 1 . . . . A 57 GLU C . 36445 1 728 . 1 . 1 57 57 GLU CA C 13 54.689 0.300 . 1 . . . . A 57 GLU CA . 36445 1 729 . 1 . 1 57 57 GLU CB C 13 27.199 0.300 . 1 . . . . A 57 GLU CB . 36445 1 730 . 1 . 1 57 57 GLU CG C 13 33.548 0.300 . 1 . . . . A 57 GLU CG . 36445 1 731 . 1 . 1 57 57 GLU N N 15 118.446 0.300 . 1 . . . . A 57 GLU N . 36445 1 732 . 1 . 1 58 58 GLY H H 1 7.954 0.030 . 1 . . . . A 58 GLY H . 36445 1 733 . 1 . 1 58 58 GLY HA2 H 1 3.918 0.030 . 1 . . . . A 58 GLY HA2 . 36445 1 734 . 1 . 1 58 58 GLY HA3 H 1 3.918 0.030 . 1 . . . . A 58 GLY HA3 . 36445 1 735 . 1 . 1 58 58 GLY C C 13 170.028 0.300 . 1 . . . . A 58 GLY C . 36445 1 736 . 1 . 1 58 58 GLY CA C 13 43.076 0.300 . 1 . . . . A 58 GLY CA . 36445 1 737 . 1 . 1 58 58 GLY N N 15 107.931 0.300 . 1 . . . . A 58 GLY N . 36445 1 738 . 1 . 1 59 59 LYS H H 1 7.805 0.030 . 1 . . . . A 59 LYS H . 36445 1 739 . 1 . 1 59 59 LYS HA H 1 4.265 0.030 . 1 . . . . A 59 LYS HA . 36445 1 740 . 1 . 1 59 59 LYS HB2 H 1 1.684 0.030 . 2 . . . . A 59 LYS HB2 . 36445 1 741 . 1 . 1 59 59 LYS HB3 H 1 1.803 0.030 . 2 . . . . A 59 LYS HB3 . 36445 1 742 . 1 . 1 59 59 LYS HG2 H 1 1.363 0.030 . 1 . . . . A 59 LYS HG2 . 36445 1 743 . 1 . 1 59 59 LYS HG3 H 1 1.363 0.030 . 1 . . . . A 59 LYS HG3 . 36445 1 744 . 1 . 1 59 59 LYS HD2 H 1 1.608 0.030 . 1 . . . . A 59 LYS HD2 . 36445 1 745 . 1 . 1 59 59 LYS HD3 H 1 1.608 0.030 . 1 . . . . A 59 LYS HD3 . 36445 1 746 . 1 . 1 59 59 LYS HE2 H 1 2.935 0.030 . 1 . . . . A 59 LYS HE2 . 36445 1 747 . 1 . 1 59 59 LYS HE3 H 1 2.935 0.030 . 1 . . . . A 59 LYS HE3 . 36445 1 748 . 1 . 1 59 59 LYS C C 13 173.723 0.300 . 1 . . . . A 59 LYS C . 36445 1 749 . 1 . 1 59 59 LYS CA C 13 53.494 0.300 . 1 . . . . A 59 LYS CA . 36445 1 750 . 1 . 1 59 59 LYS CB C 13 30.301 0.300 . 1 . . . . A 59 LYS CB . 36445 1 751 . 1 . 1 59 59 LYS CG C 13 21.926 0.300 . 1 . . . . A 59 LYS CG . 36445 1 752 . 1 . 1 59 59 LYS CD C 13 26.253 0.300 . 1 . . . . A 59 LYS CD . 36445 1 753 . 1 . 1 59 59 LYS CE C 13 39.513 0.300 . 1 . . . . A 59 LYS CE . 36445 1 754 . 1 . 1 59 59 LYS N N 15 120.132 0.300 . 1 . . . . A 59 LYS N . 36445 1 755 . 1 . 1 60 60 ALA H H 1 8.081 0.030 . 1 . . . . A 60 ALA H . 36445 1 756 . 1 . 1 60 60 ALA HA H 1 4.227 0.030 . 1 . . . . A 60 ALA HA . 36445 1 757 . 1 . 1 60 60 ALA HB1 H 1 1.264 0.030 . 1 . . . . A 60 ALA HB1 . 36445 1 758 . 1 . 1 60 60 ALA HB2 H 1 1.264 0.030 . 1 . . . . A 60 ALA HB2 . 36445 1 759 . 1 . 1 60 60 ALA HB3 H 1 1.264 0.030 . 1 . . . . A 60 ALA HB3 . 36445 1 760 . 1 . 1 60 60 ALA C C 13 174.797 0.300 . 1 . . . . A 60 ALA C . 36445 1 761 . 1 . 1 60 60 ALA CA C 13 49.821 0.300 . 1 . . . . A 60 ALA CA . 36445 1 762 . 1 . 1 60 60 ALA CB C 13 16.473 0.300 . 1 . . . . A 60 ALA CB . 36445 1 763 . 1 . 1 60 60 ALA N N 15 124.379 0.300 . 1 . . . . A 60 ALA N . 36445 1 764 . 1 . 1 61 61 GLN H H 1 8.204 0.030 . 1 . . . . A 61 GLN H . 36445 1 765 . 1 . 1 61 61 GLN HA H 1 4.271 0.030 . 1 . . . . A 61 GLN HA . 36445 1 766 . 1 . 1 61 61 GLN HB2 H 1 2.042 0.030 . 2 . . . . A 61 GLN HB2 . 36445 1 767 . 1 . 1 61 61 GLN HB3 H 1 1.916 0.030 . 2 . . . . A 61 GLN HB3 . 36445 1 768 . 1 . 1 61 61 GLN HG2 H 1 2.371 0.030 . 1 . . . . A 61 GLN HG2 . 36445 1 769 . 1 . 1 61 61 GLN HG3 H 1 2.371 0.030 . 1 . . . . A 61 GLN HG3 . 36445 1 770 . 1 . 1 61 61 GLN HE21 H 1 7.603 0.030 . 2 . . . . A 61 GLN HE21 . 36445 1 771 . 1 . 1 61 61 GLN HE22 H 1 6.733 0.030 . 2 . . . . A 61 GLN HE22 . 36445 1 772 . 1 . 1 61 61 GLN C C 13 173.097 0.300 . 1 . . . . A 61 GLN C . 36445 1 773 . 1 . 1 61 61 GLN CA C 13 52.796 0.300 . 1 . . . . A 61 GLN CA . 36445 1 774 . 1 . 1 61 61 GLN CB C 13 27.092 0.300 . 1 . . . . A 61 GLN CB . 36445 1 775 . 1 . 1 61 61 GLN CG C 13 31.655 0.300 . 1 . . . . A 61 GLN CG . 36445 1 776 . 1 . 1 61 61 GLN N N 15 119.093 0.300 . 1 . . . . A 61 GLN N . 36445 1 777 . 1 . 1 61 61 GLN NE2 N 15 112.472 0.300 . 1 . . . . A 61 GLN NE2 . 36445 1 778 . 1 . 1 62 62 GLU H H 1 8.293 0.030 . 1 . . . . A 62 GLU H . 36445 1 779 . 1 . 1 62 62 GLU HA H 1 4.522 0.030 . 1 . . . . A 62 GLU HA . 36445 1 780 . 1 . 1 62 62 GLU HB2 H 1 1.994 0.030 . 2 . . . . A 62 GLU HB2 . 36445 1 781 . 1 . 1 62 62 GLU HB3 H 1 1.864 0.030 . 2 . . . . A 62 GLU HB3 . 36445 1 782 . 1 . 1 62 62 GLU HG2 H 1 2.250 0.030 . 1 . . . . A 62 GLU HG2 . 36445 1 783 . 1 . 1 62 62 GLU HG3 H 1 2.250 0.030 . 1 . . . . A 62 GLU HG3 . 36445 1 784 . 1 . 1 62 62 GLU CA C 13 51.808 0.300 . 1 . . . . A 62 GLU CA . 36445 1 785 . 1 . 1 62 62 GLU CB C 13 26.966 0.300 . 1 . . . . A 62 GLU CB . 36445 1 786 . 1 . 1 62 62 GLU CG C 13 33.296 0.300 . 1 . . . . A 62 GLU CG . 36445 1 787 . 1 . 1 62 62 GLU N N 15 123.632 0.300 . 1 . . . . A 62 GLU N . 36445 1 788 . 1 . 1 63 63 PRO HA H 1 4.402 0.030 . 1 . . . . A 63 PRO HA . 36445 1 789 . 1 . 1 63 63 PRO HB2 H 1 2.274 0.030 . 2 . . . . A 63 PRO HB2 . 36445 1 790 . 1 . 1 63 63 PRO HB3 H 1 1.911 0.030 . 2 . . . . A 63 PRO HB3 . 36445 1 791 . 1 . 1 63 63 PRO HG2 H 1 1.949 0.030 . 1 . . . . A 63 PRO HG2 . 36445 1 792 . 1 . 1 63 63 PRO HG3 H 1 1.949 0.030 . 1 . . . . A 63 PRO HG3 . 36445 1 793 . 1 . 1 63 63 PRO HD2 H 1 3.776 0.030 . 2 . . . . A 63 PRO HD2 . 36445 1 794 . 1 . 1 63 63 PRO HD3 H 1 3.664 0.030 . 2 . . . . A 63 PRO HD3 . 36445 1 795 . 1 . 1 63 63 PRO CA C 13 60.726 0.300 . 1 . . . . A 63 PRO CA . 36445 1 796 . 1 . 1 63 63 PRO CB C 13 29.346 0.300 . 1 . . . . A 63 PRO CB . 36445 1 797 . 1 . 1 63 63 PRO CG C 13 24.716 0.300 . 1 . . . . A 63 PRO CG . 36445 1 798 . 1 . 1 63 63 PRO CD C 13 48.020 0.300 . 1 . . . . A 63 PRO CD . 36445 1 799 . 1 . 1 64 64 SER H H 1 8.396 0.030 . 1 . . . . A 64 SER H . 36445 1 800 . 1 . 1 64 64 SER HA H 1 4.407 0.030 . 1 . . . . A 64 SER HA . 36445 1 801 . 1 . 1 64 64 SER HB2 H 1 4.052 0.030 . 2 . . . . A 64 SER HB2 . 36445 1 802 . 1 . 1 64 64 SER HB3 H 1 3.933 0.030 . 2 . . . . A 64 SER HB3 . 36445 1 803 . 1 . 1 64 64 SER CA C 13 55.742 0.300 . 1 . . . . A 64 SER CA . 36445 1 804 . 1 . 1 64 64 SER CB C 13 61.500 0.300 . 1 . . . . A 64 SER CB . 36445 1 805 . 1 . 1 64 64 SER N N 15 115.887 0.300 . 1 . . . . A 64 SER N . 36445 1 806 . 1 . 1 78 78 GLY C C 13 171.785 0.300 . 1 . . . . A 78 GLY C . 36445 1 807 . 1 . 1 78 78 GLY CA C 13 43.161 0.300 . 1 . . . . A 78 GLY CA . 36445 1 808 . 1 . 1 79 79 GLN HA H 1 4.299 0.030 . 1 . . . . A 79 GLN HA . 36445 1 809 . 1 . 1 79 79 GLN HB2 H 1 1.935 0.030 . 2 . . . . A 79 GLN HB2 . 36445 1 810 . 1 . 1 79 79 GLN HB3 H 1 1.975 0.030 . 2 . . . . A 79 GLN HB3 . 36445 1 811 . 1 . 1 79 79 GLN HG2 H 1 2.273 0.030 . 1 . . . . A 79 GLN HG2 . 36445 1 812 . 1 . 1 79 79 GLN HG3 H 1 2.273 0.030 . 1 . . . . A 79 GLN HG3 . 36445 1 813 . 1 . 1 79 79 GLN HE21 H 1 6.770 0.030 . 2 . . . . A 79 GLN HE21 . 36445 1 814 . 1 . 1 79 79 GLN HE22 H 1 7.461 0.030 . 2 . . . . A 79 GLN HE22 . 36445 1 815 . 1 . 1 79 79 GLN CA C 13 53.077 0.300 . 1 . . . . A 79 GLN CA . 36445 1 816 . 1 . 1 79 79 GLN CB C 13 27.261 0.300 . 1 . . . . A 79 GLN CB . 36445 1 817 . 1 . 1 79 79 GLN CG C 13 31.149 0.300 . 1 . . . . A 79 GLN CG . 36445 1 818 . 1 . 1 79 79 GLN NE2 N 15 112.440 0.300 . 1 . . . . A 79 GLN NE2 . 36445 1 819 . 1 . 1 80 80 ARG H H 1 8.476 0.030 . 1 . . . . A 80 ARG H . 36445 1 820 . 1 . 1 80 80 ARG HA H 1 4.611 0.030 . 1 . . . . A 80 ARG HA . 36445 1 821 . 1 . 1 80 80 ARG HB2 H 1 1.705 0.030 . 2 . . . . A 80 ARG HB2 . 36445 1 822 . 1 . 1 80 80 ARG HB3 H 1 1.800 0.030 . 2 . . . . A 80 ARG HB3 . 36445 1 823 . 1 . 1 80 80 ARG HG2 H 1 1.624 0.030 . 1 . . . . A 80 ARG HG2 . 36445 1 824 . 1 . 1 80 80 ARG HG3 H 1 1.624 0.030 . 1 . . . . A 80 ARG HG3 . 36445 1 825 . 1 . 1 80 80 ARG HD2 H 1 3.170 0.030 . 1 . . . . A 80 ARG HD2 . 36445 1 826 . 1 . 1 80 80 ARG HD3 H 1 3.170 0.030 . 1 . . . . A 80 ARG HD3 . 36445 1 827 . 1 . 1 80 80 ARG CA C 13 51.236 0.300 . 1 . . . . A 80 ARG CA . 36445 1 828 . 1 . 1 80 80 ARG CB C 13 27.506 0.300 . 1 . . . . A 80 ARG CB . 36445 1 829 . 1 . 1 80 80 ARG CG C 13 24.080 0.300 . 1 . . . . A 80 ARG CG . 36445 1 830 . 1 . 1 80 80 ARG CD C 13 40.715 0.300 . 1 . . . . A 80 ARG CD . 36445 1 831 . 1 . 1 80 80 ARG N N 15 123.918 0.300 . 1 . . . . A 80 ARG N . 36445 1 832 . 1 . 1 81 81 PRO HA H 1 4.307 0.030 . 1 . . . . A 81 PRO HA . 36445 1 833 . 1 . 1 81 81 PRO HB2 H 1 1.878 0.030 . 2 . . . . A 81 PRO HB2 . 36445 1 834 . 1 . 1 81 81 PRO HB3 H 1 2.202 0.030 . 2 . . . . A 81 PRO HB3 . 36445 1 835 . 1 . 1 81 81 PRO HG2 H 1 1.876 0.030 . 2 . . . . A 81 PRO HG2 . 36445 1 836 . 1 . 1 81 81 PRO HG3 H 1 1.973 0.030 . 2 . . . . A 81 PRO HG3 . 36445 1 837 . 1 . 1 81 81 PRO HD2 H 1 3.603 0.030 . 2 . . . . A 81 PRO HD2 . 36445 1 838 . 1 . 1 81 81 PRO HD3 H 1 3.779 0.030 . 2 . . . . A 81 PRO HD3 . 36445 1 839 . 1 . 1 81 81 PRO CA C 13 60.671 0.300 . 1 . . . . A 81 PRO CA . 36445 1 840 . 1 . 1 81 81 PRO CB C 13 29.286 0.300 . 1 . . . . A 81 PRO CB . 36445 1 841 . 1 . 1 81 81 PRO CG C 13 24.634 0.300 . 1 . . . . A 81 PRO CG . 36445 1 842 . 1 . 1 81 81 PRO CD C 13 48.172 0.300 . 1 . . . . A 81 PRO CD . 36445 1 843 . 1 . 1 82 82 GLY H H 1 7.873 0.030 . 1 . . . . A 82 GLY H . 36445 1 844 . 1 . 1 82 82 GLY HA2 H 1 3.925 0.030 . 1 . . . . A 82 GLY HA2 . 36445 1 845 . 1 . 1 82 82 GLY HA3 H 1 3.925 0.030 . 1 . . . . A 82 GLY HA3 . 36445 1 846 . 1 . 1 82 82 GLY C C 13 171.150 0.300 . 1 . . . . A 82 GLY C . 36445 1 847 . 1 . 1 82 82 GLY CA C 13 42.614 0.300 . 1 . . . . A 82 GLY CA . 36445 1 848 . 1 . 1 82 82 GLY N N 15 106.106 0.300 . 1 . . . . A 82 GLY N . 36445 1 849 . 1 . 1 83 83 ASP H H 1 7.989 0.030 . 1 . . . . A 83 ASP H . 36445 1 850 . 1 . 1 83 83 ASP HA H 1 4.842 0.030 . 1 . . . . A 83 ASP HA . 36445 1 851 . 1 . 1 83 83 ASP HB2 H 1 2.592 0.030 . 2 . . . . A 83 ASP HB2 . 36445 1 852 . 1 . 1 83 83 ASP HB3 H 1 2.719 0.030 . 2 . . . . A 83 ASP HB3 . 36445 1 853 . 1 . 1 83 83 ASP CA C 13 49.961 0.300 . 1 . . . . A 83 ASP CA . 36445 1 854 . 1 . 1 83 83 ASP CB C 13 38.069 0.300 . 1 . . . . A 83 ASP CB . 36445 1 855 . 1 . 1 83 83 ASP N N 15 121.766 0.300 . 1 . . . . A 83 ASP N . 36445 1 856 . 1 . 1 84 84 PRO HA H 1 4.403 0.030 . 1 . . . . A 84 PRO HA . 36445 1 857 . 1 . 1 84 84 PRO HB2 H 1 2.249 0.030 . 2 . . . . A 84 PRO HB2 . 36445 1 858 . 1 . 1 84 84 PRO HB3 H 1 1.890 0.030 . 2 . . . . A 84 PRO HB3 . 36445 1 859 . 1 . 1 84 84 PRO HG2 H 1 2.012 0.030 . 1 . . . . A 84 PRO HG2 . 36445 1 860 . 1 . 1 84 84 PRO HG3 H 1 2.012 0.030 . 1 . . . . A 84 PRO HG3 . 36445 1 861 . 1 . 1 84 84 PRO HD2 H 1 3.841 0.030 . 2 . . . . A 84 PRO HD2 . 36445 1 862 . 1 . 1 84 84 PRO HD3 H 1 3.715 0.030 . 2 . . . . A 84 PRO HD3 . 36445 1 863 . 1 . 1 84 84 PRO C C 13 174.627 0.300 . 1 . . . . A 84 PRO C . 36445 1 864 . 1 . 1 84 84 PRO CA C 13 60.953 0.300 . 1 . . . . A 84 PRO CA . 36445 1 865 . 1 . 1 84 84 PRO CB C 13 29.360 0.300 . 1 . . . . A 84 PRO CB . 36445 1 866 . 1 . 1 84 84 PRO CG C 13 24.701 0.300 . 1 . . . . A 84 PRO CG . 36445 1 867 . 1 . 1 84 84 PRO CD C 13 48.033 0.300 . 1 . . . . A 84 PRO CD . 36445 1 868 . 1 . 1 85 85 GLN H H 1 8.471 0.030 . 1 . . . . A 85 GLN H . 36445 1 869 . 1 . 1 85 85 GLN HA H 1 4.268 0.030 . 1 . . . . A 85 GLN HA . 36445 1 870 . 1 . 1 85 85 GLN HB2 H 1 2.006 0.030 . 2 . . . . A 85 GLN HB2 . 36445 1 871 . 1 . 1 85 85 GLN HB3 H 1 2.088 0.030 . 2 . . . . A 85 GLN HB3 . 36445 1 872 . 1 . 1 85 85 GLN HG2 H 1 2.381 0.030 . 1 . . . . A 85 GLN HG2 . 36445 1 873 . 1 . 1 85 85 GLN HG3 H 1 2.381 0.030 . 1 . . . . A 85 GLN HG3 . 36445 1 874 . 1 . 1 85 85 GLN HE21 H 1 7.471 0.030 . 2 . . . . A 85 GLN HE21 . 36445 1 875 . 1 . 1 85 85 GLN HE22 H 1 6.826 0.030 . 2 . . . . A 85 GLN HE22 . 36445 1 876 . 1 . 1 85 85 GLN C C 13 173.896 0.300 . 1 . . . . A 85 GLN C . 36445 1 877 . 1 . 1 85 85 GLN CA C 13 53.862 0.300 . 1 . . . . A 85 GLN CA . 36445 1 878 . 1 . 1 85 85 GLN CB C 13 26.660 0.300 . 1 . . . . A 85 GLN CB . 36445 1 879 . 1 . 1 85 85 GLN CG C 13 31.418 0.300 . 1 . . . . A 85 GLN CG . 36445 1 880 . 1 . 1 85 85 GLN N N 15 119.886 0.300 . 1 . . . . A 85 GLN N . 36445 1 881 . 1 . 1 85 85 GLN NE2 N 15 112.081 0.300 . 1 . . . . A 85 GLN NE2 . 36445 1 882 . 1 . 1 86 86 SER H H 1 8.453 0.030 . 1 . . . . A 86 SER H . 36445 1 883 . 1 . 1 86 86 SER HA H 1 4.440 0.030 . 1 . . . . A 86 SER HA . 36445 1 884 . 1 . 1 86 86 SER HB2 H 1 3.874 0.030 . 2 . . . . A 86 SER HB2 . 36445 1 885 . 1 . 1 86 86 SER HB3 H 1 3.835 0.030 . 2 . . . . A 86 SER HB3 . 36445 1 886 . 1 . 1 86 86 SER CA C 13 56.042 0.300 . 1 . . . . A 86 SER CA . 36445 1 887 . 1 . 1 86 86 SER CB C 13 61.185 0.300 . 1 . . . . A 86 SER CB . 36445 1 888 . 1 . 1 86 86 SER N N 15 117.588 0.300 . 1 . . . . A 86 SER N . 36445 1 889 . 1 . 1 87 87 ALA H H 1 8.316 0.030 . 1 . . . . A 87 ALA H . 36445 1 890 . 1 . 1 87 87 ALA HA H 1 4.181 0.030 . 1 . . . . A 87 ALA HA . 36445 1 891 . 1 . 1 87 87 ALA HB1 H 1 1.429 0.030 . 1 . . . . A 87 ALA HB1 . 36445 1 892 . 1 . 1 87 87 ALA HB2 H 1 1.429 0.030 . 1 . . . . A 87 ALA HB2 . 36445 1 893 . 1 . 1 87 87 ALA HB3 H 1 1.429 0.030 . 1 . . . . A 87 ALA HB3 . 36445 1 894 . 1 . 1 87 87 ALA C C 13 177.036 0.300 . 1 . . . . A 87 ALA C . 36445 1 895 . 1 . 1 87 87 ALA CA C 13 51.619 0.300 . 1 . . . . A 87 ALA CA . 36445 1 896 . 1 . 1 87 87 ALA CB C 13 15.844 0.300 . 1 . . . . A 87 ALA CB . 36445 1 897 . 1 . 1 88 88 GLN H H 1 8.292 0.030 . 1 . . . . A 88 GLN H . 36445 1 898 . 1 . 1 88 88 GLN HA H 1 4.183 0.030 . 1 . . . . A 88 GLN HA . 36445 1 899 . 1 . 1 88 88 GLN HB2 H 1 2.067 0.030 . 1 . . . . A 88 GLN HB2 . 36445 1 900 . 1 . 1 88 88 GLN HB3 H 1 2.067 0.030 . 1 . . . . A 88 GLN HB3 . 36445 1 901 . 1 . 1 88 88 GLN HG2 H 1 2.397 0.030 . 1 . . . . A 88 GLN HG2 . 36445 1 902 . 1 . 1 88 88 GLN HG3 H 1 2.397 0.030 . 1 . . . . A 88 GLN HG3 . 36445 1 903 . 1 . 1 88 88 GLN HE21 H 1 7.494 0.030 . 2 . . . . A 88 GLN HE21 . 36445 1 904 . 1 . 1 88 88 GLN HE22 H 1 6.852 0.030 . 2 . . . . A 88 GLN HE22 . 36445 1 905 . 1 . 1 88 88 GLN C C 13 174.951 0.300 . 1 . . . . A 88 GLN C . 36445 1 906 . 1 . 1 88 88 GLN CA C 13 55.095 0.300 . 1 . . . . A 88 GLN CA . 36445 1 907 . 1 . 1 88 88 GLN CB C 13 25.993 0.300 . 1 . . . . A 88 GLN CB . 36445 1 908 . 1 . 1 88 88 GLN CG C 13 31.418 0.300 . 1 . . . . A 88 GLN CG . 36445 1 909 . 1 . 1 88 88 GLN N N 15 118.453 0.300 . 1 . . . . A 88 GLN N . 36445 1 910 . 1 . 1 88 88 GLN NE2 N 15 111.996 0.300 . 1 . . . . A 88 GLN NE2 . 36445 1 911 . 1 . 1 89 89 ASP H H 1 8.088 0.030 . 1 . . . . A 89 ASP H . 36445 1 912 . 1 . 1 89 89 ASP HA H 1 4.504 0.030 . 1 . . . . A 89 ASP HA . 36445 1 913 . 1 . 1 89 89 ASP HB2 H 1 2.735 0.030 . 1 . . . . A 89 ASP HB2 . 36445 1 914 . 1 . 1 89 89 ASP HB3 H 1 2.735 0.030 . 1 . . . . A 89 ASP HB3 . 36445 1 915 . 1 . 1 89 89 ASP C C 13 175.020 0.300 . 1 . . . . A 89 ASP C . 36445 1 916 . 1 . 1 89 89 ASP CA C 13 53.597 0.300 . 1 . . . . A 89 ASP CA . 36445 1 917 . 1 . 1 89 89 ASP CB C 13 38.252 0.300 . 1 . . . . A 89 ASP CB . 36445 1 918 . 1 . 1 89 89 ASP N N 15 121.955 0.300 . 1 . . . . A 89 ASP N . 36445 1 919 . 1 . 1 90 90 LYS H H 1 8.175 0.030 . 1 . . . . A 90 LYS H . 36445 1 920 . 1 . 1 90 90 LYS HA H 1 3.951 0.030 . 1 . . . . A 90 LYS HA . 36445 1 921 . 1 . 1 90 90 LYS HB2 H 1 1.839 0.030 . 1 . . . . A 90 LYS HB2 . 36445 1 922 . 1 . 1 90 90 LYS HB3 H 1 1.839 0.030 . 1 . . . . A 90 LYS HB3 . 36445 1 923 . 1 . 1 90 90 LYS HG2 H 1 1.380 0.030 . 2 . . . . A 90 LYS HG2 . 36445 1 924 . 1 . 1 90 90 LYS HG3 H 1 1.449 0.030 . 2 . . . . A 90 LYS HG3 . 36445 1 925 . 1 . 1 90 90 LYS HD2 H 1 1.629 0.030 . 1 . . . . A 90 LYS HD2 . 36445 1 926 . 1 . 1 90 90 LYS HD3 H 1 1.629 0.030 . 1 . . . . A 90 LYS HD3 . 36445 1 927 . 1 . 1 90 90 LYS HE2 H 1 2.941 0.030 . 1 . . . . A 90 LYS HE2 . 36445 1 928 . 1 . 1 90 90 LYS HE3 H 1 2.941 0.030 . 1 . . . . A 90 LYS HE3 . 36445 1 929 . 1 . 1 90 90 LYS C C 13 175.344 0.300 . 1 . . . . A 90 LYS C . 36445 1 930 . 1 . 1 90 90 LYS CA C 13 56.831 0.300 . 1 . . . . A 90 LYS CA . 36445 1 931 . 1 . 1 90 90 LYS CB C 13 29.694 0.300 . 1 . . . . A 90 LYS CB . 36445 1 932 . 1 . 1 90 90 LYS CG C 13 22.543 0.300 . 1 . . . . A 90 LYS CG . 36445 1 933 . 1 . 1 90 90 LYS CD C 13 26.266 0.300 . 1 . . . . A 90 LYS CD . 36445 1 934 . 1 . 1 90 90 LYS CE C 13 39.502 0.300 . 1 . . . . A 90 LYS CE . 36445 1 935 . 1 . 1 90 90 LYS N N 15 122.019 0.300 . 1 . . . . A 90 LYS N . 36445 1 936 . 1 . 1 91 91 ALA H H 1 7.937 0.030 . 1 . . . . A 91 ALA H . 36445 1 937 . 1 . 1 91 91 ALA HA H 1 4.220 0.030 . 1 . . . . A 91 ALA HA . 36445 1 938 . 1 . 1 91 91 ALA HB1 H 1 1.479 0.030 . 1 . . . . A 91 ALA HB1 . 36445 1 939 . 1 . 1 91 91 ALA HB2 H 1 1.479 0.030 . 1 . . . . A 91 ALA HB2 . 36445 1 940 . 1 . 1 91 91 ALA HB3 H 1 1.479 0.030 . 1 . . . . A 91 ALA HB3 . 36445 1 941 . 1 . 1 91 91 ALA C C 13 177.799 0.300 . 1 . . . . A 91 ALA C . 36445 1 942 . 1 . 1 91 91 ALA CA C 13 52.035 0.300 . 1 . . . . A 91 ALA CA . 36445 1 943 . 1 . 1 91 91 ALA CB C 13 15.380 0.300 . 1 . . . . A 91 ALA CB . 36445 1 944 . 1 . 1 91 91 ALA N N 15 120.783 0.300 . 1 . . . . A 91 ALA N . 36445 1 945 . 1 . 1 92 92 ARG H H 1 7.880 0.030 . 1 . . . . A 92 ARG H . 36445 1 946 . 1 . 1 92 92 ARG HA H 1 4.102 0.030 . 1 . . . . A 92 ARG HA . 36445 1 947 . 1 . 1 92 92 ARG HB2 H 1 1.953 0.030 . 2 . . . . A 92 ARG HB2 . 36445 1 948 . 1 . 1 92 92 ARG HB3 H 1 2.025 0.030 . 2 . . . . A 92 ARG HB3 . 36445 1 949 . 1 . 1 92 92 ARG HG2 H 1 1.558 0.030 . 2 . . . . A 92 ARG HG2 . 36445 1 950 . 1 . 1 92 92 ARG HG3 H 1 1.712 0.030 . 2 . . . . A 92 ARG HG3 . 36445 1 951 . 1 . 1 92 92 ARG HD2 H 1 3.287 0.030 . 2 . . . . A 92 ARG HD2 . 36445 1 952 . 1 . 1 92 92 ARG HD3 H 1 3.203 0.030 . 2 . . . . A 92 ARG HD3 . 36445 1 953 . 1 . 1 92 92 ARG C C 13 175.805 0.300 . 1 . . . . A 92 ARG C . 36445 1 954 . 1 . 1 92 92 ARG CA C 13 56.562 0.300 . 1 . . . . A 92 ARG CA . 36445 1 955 . 1 . 1 92 92 ARG CB C 13 27.175 0.300 . 1 . . . . A 92 ARG CB . 36445 1 956 . 1 . 1 92 92 ARG CG C 13 24.571 0.300 . 1 . . . . A 92 ARG CG . 36445 1 957 . 1 . 1 92 92 ARG CD C 13 40.533 0.300 . 1 . . . . A 92 ARG CD . 36445 1 958 . 1 . 1 92 92 ARG N N 15 119.836 0.300 . 1 . . . . A 92 ARG N . 36445 1 959 . 1 . 1 93 93 MET H H 1 8.187 0.030 . 1 . . . . A 93 MET H . 36445 1 960 . 1 . 1 93 93 MET HA H 1 4.151 0.030 . 1 . . . . A 93 MET HA . 36445 1 961 . 1 . 1 93 93 MET HB2 H 1 2.639 0.030 . 2 . . . . A 93 MET HB2 . 36445 1 962 . 1 . 1 93 93 MET HB3 H 1 2.846 0.030 . 2 . . . . A 93 MET HB3 . 36445 1 963 . 1 . 1 93 93 MET HG2 H 1 2.055 0.030 . 2 . . . . A 93 MET HG2 . 36445 1 964 . 1 . 1 93 93 MET HG3 H 1 2.396 0.030 . 2 . . . . A 93 MET HG3 . 36445 1 965 . 1 . 1 93 93 MET HE1 H 1 2.129 0.030 . 1 . . . . A 93 MET HE1 . 36445 1 966 . 1 . 1 93 93 MET HE2 H 1 2.129 0.030 . 1 . . . . A 93 MET HE2 . 36445 1 967 . 1 . 1 93 93 MET HE3 H 1 2.129 0.030 . 1 . . . . A 93 MET HE3 . 36445 1 968 . 1 . 1 93 93 MET C C 13 175.615 0.300 . 1 . . . . A 93 MET C . 36445 1 969 . 1 . 1 93 93 MET CA C 13 56.641 0.300 . 1 . . . . A 93 MET CA . 36445 1 970 . 1 . 1 93 93 MET CB C 13 30.612 0.300 . 1 . . . . A 93 MET CB . 36445 1 971 . 1 . 1 93 93 MET CG C 13 30.567 0.300 . 1 . . . . A 93 MET CG . 36445 1 972 . 1 . 1 93 93 MET CE C 13 15.316 0.300 . 1 . . . . A 93 MET CE . 36445 1 973 . 1 . 1 93 93 MET N N 15 118.385 0.300 . 1 . . . . A 93 MET N . 36445 1 974 . 1 . 1 94 94 ASP H H 1 8.399 0.030 . 1 . . . . A 94 ASP H . 36445 1 975 . 1 . 1 94 94 ASP HA H 1 4.414 0.030 . 1 . . . . A 94 ASP HA . 36445 1 976 . 1 . 1 94 94 ASP HB2 H 1 2.708 0.030 . 2 . . . . A 94 ASP HB2 . 36445 1 977 . 1 . 1 94 94 ASP HB3 H 1 2.852 0.030 . 2 . . . . A 94 ASP HB3 . 36445 1 978 . 1 . 1 94 94 ASP C C 13 175.927 0.300 . 1 . . . . A 94 ASP C . 36445 1 979 . 1 . 1 94 94 ASP CA C 13 54.967 0.300 . 1 . . . . A 94 ASP CA . 36445 1 980 . 1 . 1 94 94 ASP CB C 13 37.608 0.300 . 1 . . . . A 94 ASP CB . 36445 1 981 . 1 . 1 94 94 ASP N N 15 119.769 0.300 . 1 . . . . A 94 ASP N . 36445 1 982 . 1 . 1 95 95 LYS H H 1 7.825 0.030 . 1 . . . . A 95 LYS H . 36445 1 983 . 1 . 1 95 95 LYS HA H 1 4.105 0.030 . 1 . . . . A 95 LYS HA . 36445 1 984 . 1 . 1 95 95 LYS HB2 H 1 2.028 0.030 . 1 . . . . A 95 LYS HB2 . 36445 1 985 . 1 . 1 95 95 LYS HB3 H 1 2.028 0.030 . 1 . . . . A 95 LYS HB3 . 36445 1 986 . 1 . 1 95 95 LYS HG2 H 1 1.513 0.030 . 2 . . . . A 95 LYS HG2 . 36445 1 987 . 1 . 1 95 95 LYS HG3 H 1 1.597 0.030 . 2 . . . . A 95 LYS HG3 . 36445 1 988 . 1 . 1 95 95 LYS HD2 H 1 1.688 0.030 . 1 . . . . A 95 LYS HD2 . 36445 1 989 . 1 . 1 95 95 LYS HD3 H 1 1.688 0.030 . 1 . . . . A 95 LYS HD3 . 36445 1 990 . 1 . 1 95 95 LYS HE2 H 1 2.966 0.030 . 1 . . . . A 95 LYS HE2 . 36445 1 991 . 1 . 1 95 95 LYS HE3 H 1 2.966 0.030 . 1 . . . . A 95 LYS HE3 . 36445 1 992 . 1 . 1 95 95 LYS C C 13 177.427 0.300 . 1 . . . . A 95 LYS C . 36445 1 993 . 1 . 1 95 95 LYS CA C 13 57.020 0.300 . 1 . . . . A 95 LYS CA . 36445 1 994 . 1 . 1 95 95 LYS CB C 13 29.579 0.300 . 1 . . . . A 95 LYS CB . 36445 1 995 . 1 . 1 95 95 LYS CG C 13 22.396 0.300 . 1 . . . . A 95 LYS CG . 36445 1 996 . 1 . 1 95 95 LYS CD C 13 26.676 0.300 . 1 . . . . A 95 LYS CD . 36445 1 997 . 1 . 1 95 95 LYS CE C 13 39.482 0.300 . 1 . . . . A 95 LYS CE . 36445 1 998 . 1 . 1 95 95 LYS N N 15 120.591 0.300 . 1 . . . . A 95 LYS N . 36445 1 999 . 1 . 1 96 96 GLU H H 1 8.508 0.030 . 1 . . . . A 96 GLU H . 36445 1 1000 . 1 . 1 96 96 GLU HA H 1 4.278 0.030 . 1 . . . . A 96 GLU HA . 36445 1 1001 . 1 . 1 96 96 GLU HB2 H 1 2.126 0.030 . 2 . . . . A 96 GLU HB2 . 36445 1 1002 . 1 . 1 96 96 GLU HB3 H 1 2.324 0.030 . 2 . . . . A 96 GLU HB3 . 36445 1 1003 . 1 . 1 96 96 GLU HG2 H 1 2.518 0.030 . 2 . . . . A 96 GLU HG2 . 36445 1 1004 . 1 . 1 96 96 GLU HG3 H 1 2.285 0.030 . 2 . . . . A 96 GLU HG3 . 36445 1 1005 . 1 . 1 96 96 GLU C C 13 175.368 0.300 . 1 . . . . A 96 GLU C . 36445 1 1006 . 1 . 1 96 96 GLU CA C 13 56.771 0.300 . 1 . . . . A 96 GLU CA . 36445 1 1007 . 1 . 1 96 96 GLU CB C 13 27.896 0.300 . 1 . . . . A 96 GLU CB . 36445 1 1008 . 1 . 1 96 96 GLU CG C 13 34.228 0.300 . 1 . . . . A 96 GLU CG . 36445 1 1009 . 1 . 1 96 96 GLU N N 15 120.764 0.300 . 1 . . . . A 96 GLU N . 36445 1 1010 . 1 . 1 97 97 TYR H H 1 8.668 0.030 . 1 . . . . A 97 TYR H . 36445 1 1011 . 1 . 1 97 97 TYR HA H 1 4.006 0.030 . 1 . . . . A 97 TYR HA . 36445 1 1012 . 1 . 1 97 97 TYR HB2 H 1 3.194 0.030 . 2 . . . . A 97 TYR HB2 . 36445 1 1013 . 1 . 1 97 97 TYR HB3 H 1 3.000 0.030 . 2 . . . . A 97 TYR HB3 . 36445 1 1014 . 1 . 1 97 97 TYR HD1 H 1 6.531 0.030 . 1 . . . . A 97 TYR HD1 . 36445 1 1015 . 1 . 1 97 97 TYR HD2 H 1 6.531 0.030 . 1 . . . . A 97 TYR HD2 . 36445 1 1016 . 1 . 1 97 97 TYR HE1 H 1 6.399 0.030 . 1 . . . . A 97 TYR HE1 . 36445 1 1017 . 1 . 1 97 97 TYR HE2 H 1 6.399 0.030 . 1 . . . . A 97 TYR HE2 . 36445 1 1018 . 1 . 1 97 97 TYR C C 13 174.158 0.300 . 1 . . . . A 97 TYR C . 36445 1 1019 . 1 . 1 97 97 TYR CA C 13 60.069 0.300 . 1 . . . . A 97 TYR CA . 36445 1 1020 . 1 . 1 97 97 TYR CB C 13 35.994 0.300 . 1 . . . . A 97 TYR CB . 36445 1 1021 . 1 . 1 97 97 TYR CD1 C 13 129.590 0.300 . 1 . . . . A 97 TYR CD1 . 36445 1 1022 . 1 . 1 97 97 TYR CD2 C 13 129.590 0.300 . 1 . . . . A 97 TYR CD2 . 36445 1 1023 . 1 . 1 97 97 TYR CE1 C 13 115.716 0.300 . 1 . . . . A 97 TYR CE1 . 36445 1 1024 . 1 . 1 97 97 TYR CE2 C 13 115.716 0.300 . 1 . . . . A 97 TYR CE2 . 36445 1 1025 . 1 . 1 97 97 TYR N N 15 121.596 0.300 . 1 . . . . A 97 TYR N . 36445 1 1026 . 1 . 1 98 98 LEU H H 1 7.857 0.030 . 1 . . . . A 98 LEU H . 36445 1 1027 . 1 . 1 98 98 LEU HA H 1 3.836 0.030 . 1 . . . . A 98 LEU HA . 36445 1 1028 . 1 . 1 98 98 LEU HB2 H 1 1.548 0.030 . 2 . . . . A 98 LEU HB2 . 36445 1 1029 . 1 . 1 98 98 LEU HB3 H 1 1.925 0.030 . 2 . . . . A 98 LEU HB3 . 36445 1 1030 . 1 . 1 98 98 LEU HG H 1 1.910 0.030 . 1 . . . . A 98 LEU HG . 36445 1 1031 . 1 . 1 98 98 LEU HD11 H 1 0.880 0.030 . 2 . . . . A 98 LEU HD11 . 36445 1 1032 . 1 . 1 98 98 LEU HD12 H 1 0.880 0.030 . 2 . . . . A 98 LEU HD12 . 36445 1 1033 . 1 . 1 98 98 LEU HD13 H 1 0.880 0.030 . 2 . . . . A 98 LEU HD13 . 36445 1 1034 . 1 . 1 98 98 LEU HD21 H 1 0.916 0.030 . 2 . . . . A 98 LEU HD21 . 36445 1 1035 . 1 . 1 98 98 LEU HD22 H 1 0.916 0.030 . 2 . . . . A 98 LEU HD22 . 36445 1 1036 . 1 . 1 98 98 LEU HD23 H 1 0.916 0.030 . 2 . . . . A 98 LEU HD23 . 36445 1 1037 . 1 . 1 98 98 LEU C C 13 177.740 0.300 . 1 . . . . A 98 LEU C . 36445 1 1038 . 1 . 1 98 98 LEU CA C 13 55.225 0.300 . 1 . . . . A 98 LEU CA . 36445 1 1039 . 1 . 1 98 98 LEU CB C 13 38.847 0.300 . 1 . . . . A 98 LEU CB . 36445 1 1040 . 1 . 1 98 98 LEU CG C 13 24.337 0.300 . 1 . . . . A 98 LEU CG . 36445 1 1041 . 1 . 1 98 98 LEU CD1 C 13 20.305 0.300 . 2 . . . . A 98 LEU CD1 . 36445 1 1042 . 1 . 1 98 98 LEU CD2 C 13 22.606 0.300 . 2 . . . . A 98 LEU CD2 . 36445 1 1043 . 1 . 1 98 98 LEU N N 15 117.642 0.300 . 1 . . . . A 98 LEU N . 36445 1 1044 . 1 . 1 99 99 SER H H 1 8.214 0.030 . 1 . . . . A 99 SER H . 36445 1 1045 . 1 . 1 99 99 SER HA H 1 4.222 0.030 . 1 . . . . A 99 SER HA . 36445 1 1046 . 1 . 1 99 99 SER HB2 H 1 4.142 0.030 . 2 . . . . A 99 SER HB2 . 36445 1 1047 . 1 . 1 99 99 SER HB3 H 1 4.194 0.030 . 2 . . . . A 99 SER HB3 . 36445 1 1048 . 1 . 1 99 99 SER CA C 13 59.281 0.300 . 1 . . . . A 99 SER CA . 36445 1 1049 . 1 . 1 99 99 SER CB C 13 60.142 0.300 . 1 . . . . A 99 SER CB . 36445 1 1050 . 1 . 1 99 99 SER N N 15 116.397 0.300 . 1 . . . . A 99 SER N . 36445 1 1051 . 1 . 1 100 100 LEU H H 1 8.005 0.030 . 1 . . . . A 100 LEU H . 36445 1 1052 . 1 . 1 100 100 LEU HA H 1 3.292 0.030 . 1 . . . . A 100 LEU HA . 36445 1 1053 . 1 . 1 100 100 LEU HB2 H 1 0.271 0.030 . 2 . . . . A 100 LEU HB2 . 36445 1 1054 . 1 . 1 100 100 LEU HB3 H 1 1.539 0.030 . 2 . . . . A 100 LEU HB3 . 36445 1 1055 . 1 . 1 100 100 LEU HG H 1 1.213 0.030 . 1 . . . . A 100 LEU HG . 36445 1 1056 . 1 . 1 100 100 LEU HD11 H 1 0.740 0.030 . 2 . . . . A 100 LEU HD11 . 36445 1 1057 . 1 . 1 100 100 LEU HD12 H 1 0.740 0.030 . 2 . . . . A 100 LEU HD12 . 36445 1 1058 . 1 . 1 100 100 LEU HD13 H 1 0.740 0.030 . 2 . . . . A 100 LEU HD13 . 36445 1 1059 . 1 . 1 100 100 LEU HD21 H 1 0.521 0.030 . 2 . . . . A 100 LEU HD21 . 36445 1 1060 . 1 . 1 100 100 LEU HD22 H 1 0.521 0.030 . 2 . . . . A 100 LEU HD22 . 36445 1 1061 . 1 . 1 100 100 LEU HD23 H 1 0.521 0.030 . 2 . . . . A 100 LEU HD23 . 36445 1 1062 . 1 . 1 100 100 LEU CA C 13 55.556 0.300 . 1 . . . . A 100 LEU CA . 36445 1 1063 . 1 . 1 100 100 LEU CB C 13 37.095 0.300 . 1 . . . . A 100 LEU CB . 36445 1 1064 . 1 . 1 100 100 LEU CG C 13 24.185 0.300 . 1 . . . . A 100 LEU CG . 36445 1 1065 . 1 . 1 100 100 LEU CD1 C 13 24.189 0.300 . 2 . . . . A 100 LEU CD1 . 36445 1 1066 . 1 . 1 100 100 LEU CD2 C 13 19.814 0.300 . 2 . . . . A 100 LEU CD2 . 36445 1 1067 . 1 . 1 100 100 LEU N N 15 123.572 0.300 . 1 . . . . A 100 LEU N . 36445 1 1068 . 1 . 1 101 101 MET H H 1 7.677 0.030 . 1 . . . . A 101 MET H . 36445 1 1069 . 1 . 1 101 101 MET HA H 1 4.131 0.030 . 1 . . . . A 101 MET HA . 36445 1 1070 . 1 . 1 101 101 MET HB2 H 1 1.756 0.030 . 2 . . . . A 101 MET HB2 . 36445 1 1071 . 1 . 1 101 101 MET HB3 H 1 1.923 0.030 . 2 . . . . A 101 MET HB3 . 36445 1 1072 . 1 . 1 101 101 MET HG2 H 1 2.038 0.030 . 2 . . . . A 101 MET HG2 . 36445 1 1073 . 1 . 1 101 101 MET HG3 H 1 2.448 0.030 . 2 . . . . A 101 MET HG3 . 36445 1 1074 . 1 . 1 101 101 MET HE1 H 1 1.530 0.030 . 1 . . . . A 101 MET HE1 . 36445 1 1075 . 1 . 1 101 101 MET HE2 H 1 1.530 0.030 . 1 . . . . A 101 MET HE2 . 36445 1 1076 . 1 . 1 101 101 MET HE3 H 1 1.530 0.030 . 1 . . . . A 101 MET HE3 . 36445 1 1077 . 1 . 1 101 101 MET C C 13 176.752 0.300 . 1 . . . . A 101 MET C . 36445 1 1078 . 1 . 1 101 101 MET CA C 13 53.995 0.300 . 1 . . . . A 101 MET CA . 36445 1 1079 . 1 . 1 101 101 MET CB C 13 27.934 0.300 . 1 . . . . A 101 MET CB . 36445 1 1080 . 1 . 1 101 101 MET CG C 13 29.978 0.300 . 1 . . . . A 101 MET CG . 36445 1 1081 . 1 . 1 101 101 MET CE C 13 15.135 0.300 . 1 . . . . A 101 MET CE . 36445 1 1082 . 1 . 1 101 101 MET N N 15 113.767 0.300 . 1 . . . . A 101 MET N . 36445 1 1083 . 1 . 1 102 102 ALA H H 1 8.025 0.030 . 1 . . . . A 102 ALA H . 36445 1 1084 . 1 . 1 102 102 ALA HA H 1 4.181 0.030 . 1 . . . . A 102 ALA HA . 36445 1 1085 . 1 . 1 102 102 ALA HB1 H 1 1.478 0.030 . 1 . . . . A 102 ALA HB1 . 36445 1 1086 . 1 . 1 102 102 ALA HB2 H 1 1.478 0.030 . 1 . . . . A 102 ALA HB2 . 36445 1 1087 . 1 . 1 102 102 ALA HB3 H 1 1.478 0.030 . 1 . . . . A 102 ALA HB3 . 36445 1 1088 . 1 . 1 102 102 ALA C C 13 178.501 0.300 . 1 . . . . A 102 ALA C . 36445 1 1089 . 1 . 1 102 102 ALA CA C 13 52.132 0.300 . 1 . . . . A 102 ALA CA . 36445 1 1090 . 1 . 1 102 102 ALA CB C 13 15.383 0.300 . 1 . . . . A 102 ALA CB . 36445 1 1091 . 1 . 1 102 102 ALA N N 15 122.314 0.300 . 1 . . . . A 102 ALA N . 36445 1 1092 . 1 . 1 103 103 GLU H H 1 8.117 0.030 . 1 . . . . A 103 GLU H . 36445 1 1093 . 1 . 1 103 103 GLU HA H 1 4.068 0.030 . 1 . . . . A 103 GLU HA . 36445 1 1094 . 1 . 1 103 103 GLU HB2 H 1 2.052 0.030 . 2 . . . . A 103 GLU HB2 . 36445 1 1095 . 1 . 1 103 103 GLU HB3 H 1 2.165 0.030 . 2 . . . . A 103 GLU HB3 . 36445 1 1096 . 1 . 1 103 103 GLU HG2 H 1 2.291 0.030 . 2 . . . . A 103 GLU HG2 . 36445 1 1097 . 1 . 1 103 103 GLU HG3 H 1 2.499 0.030 . 2 . . . . A 103 GLU HG3 . 36445 1 1098 . 1 . 1 103 103 GLU CA C 13 56.360 0.300 . 1 . . . . A 103 GLU CA . 36445 1 1099 . 1 . 1 103 103 GLU CB C 13 26.931 0.300 . 1 . . . . A 103 GLU CB . 36445 1 1100 . 1 . 1 103 103 GLU CG C 13 34.196 0.300 . 1 . . . . A 103 GLU CG . 36445 1 1101 . 1 . 1 103 103 GLU N N 15 119.728 0.300 . 1 . . . . A 103 GLU N . 36445 1 1102 . 1 . 1 104 104 LEU H H 1 7.830 0.030 . 1 . . . . A 104 LEU H . 36445 1 1103 . 1 . 1 104 104 LEU HA H 1 4.215 0.030 . 1 . . . . A 104 LEU HA . 36445 1 1104 . 1 . 1 104 104 LEU HB2 H 1 1.816 0.030 . 2 . . . . A 104 LEU HB2 . 36445 1 1105 . 1 . 1 104 104 LEU HB3 H 1 1.523 0.030 . 2 . . . . A 104 LEU HB3 . 36445 1 1106 . 1 . 1 104 104 LEU HG H 1 1.903 0.030 . 1 . . . . A 104 LEU HG . 36445 1 1107 . 1 . 1 104 104 LEU HD11 H 1 0.940 0.030 . 2 . . . . A 104 LEU HD11 . 36445 1 1108 . 1 . 1 104 104 LEU HD12 H 1 0.940 0.030 . 2 . . . . A 104 LEU HD12 . 36445 1 1109 . 1 . 1 104 104 LEU HD13 H 1 0.940 0.030 . 2 . . . . A 104 LEU HD13 . 36445 1 1110 . 1 . 1 104 104 LEU HD21 H 1 0.834 0.030 . 2 . . . . A 104 LEU HD21 . 36445 1 1111 . 1 . 1 104 104 LEU HD22 H 1 0.834 0.030 . 2 . . . . A 104 LEU HD22 . 36445 1 1112 . 1 . 1 104 104 LEU HD23 H 1 0.834 0.030 . 2 . . . . A 104 LEU HD23 . 36445 1 1113 . 1 . 1 104 104 LEU C C 13 174.971 0.300 . 1 . . . . A 104 LEU C . 36445 1 1114 . 1 . 1 104 104 LEU CA C 13 52.508 0.300 . 1 . . . . A 104 LEU CA . 36445 1 1115 . 1 . 1 104 104 LEU CB C 13 39.568 0.300 . 1 . . . . A 104 LEU CB . 36445 1 1116 . 1 . 1 104 104 LEU CG C 13 23.636 0.300 . 1 . . . . A 104 LEU CG . 36445 1 1117 . 1 . 1 104 104 LEU CD1 C 13 23.714 0.300 . 2 . . . . A 104 LEU CD1 . 36445 1 1118 . 1 . 1 104 104 LEU CD2 C 13 20.970 0.300 . 2 . . . . A 104 LEU CD2 . 36445 1 1119 . 1 . 1 104 104 LEU N N 15 116.907 0.300 . 1 . . . . A 104 LEU N . 36445 1 1120 . 1 . 1 105 105 GLY H H 1 7.740 0.030 . 1 . . . . A 105 GLY H . 36445 1 1121 . 1 . 1 105 105 GLY HA2 H 1 3.899 0.030 . 2 . . . . A 105 GLY HA2 . 36445 1 1122 . 1 . 1 105 105 GLY HA3 H 1 3.931 0.030 . 2 . . . . A 105 GLY HA3 . 36445 1 1123 . 1 . 1 105 105 GLY C C 13 171.621 0.300 . 1 . . . . A 105 GLY C . 36445 1 1124 . 1 . 1 105 105 GLY CA C 13 43.124 0.300 . 1 . . . . A 105 GLY CA . 36445 1 1125 . 1 . 1 105 105 GLY N N 15 107.682 0.300 . 1 . . . . A 105 GLY N . 36445 1 1126 . 1 . 1 106 106 GLU H H 1 7.953 0.030 . 1 . . . . A 106 GLU H . 36445 1 1127 . 1 . 1 106 106 GLU HA H 1 4.294 0.030 . 1 . . . . A 106 GLU HA . 36445 1 1128 . 1 . 1 106 106 GLU HB2 H 1 2.092 0.030 . 2 . . . . A 106 GLU HB2 . 36445 1 1129 . 1 . 1 106 106 GLU HB3 H 1 1.770 0.030 . 2 . . . . A 106 GLU HB3 . 36445 1 1130 . 1 . 1 106 106 GLU HG2 H 1 2.240 0.030 . 2 . . . . A 106 GLU HG2 . 36445 1 1131 . 1 . 1 106 106 GLU HG3 H 1 2.074 0.030 . 2 . . . . A 106 GLU HG3 . 36445 1 1132 . 1 . 1 106 106 GLU C C 13 172.799 0.300 . 1 . . . . A 106 GLU C . 36445 1 1133 . 1 . 1 106 106 GLU CA C 13 52.666 0.300 . 1 . . . . A 106 GLU CA . 36445 1 1134 . 1 . 1 106 106 GLU CB C 13 28.215 0.300 . 1 . . . . A 106 GLU CB . 36445 1 1135 . 1 . 1 106 106 GLU CG C 13 33.287 0.300 . 1 . . . . A 106 GLU CG . 36445 1 1136 . 1 . 1 106 106 GLU N N 15 119.272 0.300 . 1 . . . . A 106 GLU N . 36445 1 1137 . 1 . 1 107 107 ALA H H 1 8.078 0.030 . 1 . . . . A 107 ALA H . 36445 1 1138 . 1 . 1 107 107 ALA HA H 1 4.530 0.030 . 1 . . . . A 107 ALA HA . 36445 1 1139 . 1 . 1 107 107 ALA HB1 H 1 1.270 0.030 . 1 . . . . A 107 ALA HB1 . 36445 1 1140 . 1 . 1 107 107 ALA HB2 H 1 1.270 0.030 . 1 . . . . A 107 ALA HB2 . 36445 1 1141 . 1 . 1 107 107 ALA HB3 H 1 1.270 0.030 . 1 . . . . A 107 ALA HB3 . 36445 1 1142 . 1 . 1 107 107 ALA CA C 13 47.605 0.300 . 1 . . . . A 107 ALA CA . 36445 1 1143 . 1 . 1 107 107 ALA CB C 13 15.806 0.300 . 1 . . . . A 107 ALA CB . 36445 1 1144 . 1 . 1 107 107 ALA N N 15 125.460 0.300 . 1 . . . . A 107 ALA N . 36445 1 1145 . 1 . 1 108 108 PRO HA H 1 4.417 0.030 . 1 . . . . A 108 PRO HA . 36445 1 1146 . 1 . 1 108 108 PRO HB2 H 1 1.818 0.030 . 2 . . . . A 108 PRO HB2 . 36445 1 1147 . 1 . 1 108 108 PRO HB3 H 1 2.188 0.030 . 2 . . . . A 108 PRO HB3 . 36445 1 1148 . 1 . 1 108 108 PRO HG2 H 1 1.882 0.030 . 2 . . . . A 108 PRO HG2 . 36445 1 1149 . 1 . 1 108 108 PRO HG3 H 1 1.945 0.030 . 2 . . . . A 108 PRO HG3 . 36445 1 1150 . 1 . 1 108 108 PRO HD2 H 1 3.589 0.030 . 2 . . . . A 108 PRO HD2 . 36445 1 1151 . 1 . 1 108 108 PRO HD3 H 1 3.706 0.030 . 2 . . . . A 108 PRO HD3 . 36445 1 1152 . 1 . 1 108 108 PRO C C 13 173.899 0.300 . 1 . . . . A 108 PRO C . 36445 1 1153 . 1 . 1 108 108 PRO CA C 13 59.972 0.300 . 1 . . . . A 108 PRO CA . 36445 1 1154 . 1 . 1 108 108 PRO CB C 13 29.444 0.300 . 1 . . . . A 108 PRO CB . 36445 1 1155 . 1 . 1 108 108 PRO CG C 13 24.662 0.300 . 1 . . . . A 108 PRO CG . 36445 1 1156 . 1 . 1 108 108 PRO CD C 13 47.710 0.300 . 1 . . . . A 108 PRO CD . 36445 1 1157 . 1 . 1 109 109 VAL H H 1 8.156 0.030 . 1 . . . . A 109 VAL H . 36445 1 1158 . 1 . 1 109 109 VAL HA H 1 4.312 0.030 . 1 . . . . A 109 VAL HA . 36445 1 1159 . 1 . 1 109 109 VAL HB H 1 2.009 0.030 . 1 . . . . A 109 VAL HB . 36445 1 1160 . 1 . 1 109 109 VAL HG11 H 1 0.925 0.030 . 2 . . . . A 109 VAL HG11 . 36445 1 1161 . 1 . 1 109 109 VAL HG12 H 1 0.925 0.030 . 2 . . . . A 109 VAL HG12 . 36445 1 1162 . 1 . 1 109 109 VAL HG13 H 1 0.925 0.030 . 2 . . . . A 109 VAL HG13 . 36445 1 1163 . 1 . 1 109 109 VAL HG21 H 1 0.934 0.030 . 2 . . . . A 109 VAL HG21 . 36445 1 1164 . 1 . 1 109 109 VAL HG22 H 1 0.934 0.030 . 2 . . . . A 109 VAL HG22 . 36445 1 1165 . 1 . 1 109 109 VAL HG23 H 1 0.934 0.030 . 2 . . . . A 109 VAL HG23 . 36445 1 1166 . 1 . 1 109 109 VAL CA C 13 57.210 0.300 . 1 . . . . A 109 VAL CA . 36445 1 1167 . 1 . 1 109 109 VAL CB C 13 29.926 0.300 . 1 . . . . A 109 VAL CB . 36445 1 1168 . 1 . 1 109 109 VAL CG1 C 13 17.789 0.300 . 2 . . . . A 109 VAL CG1 . 36445 1 1169 . 1 . 1 109 109 VAL CG2 C 13 18.359 0.300 . 2 . . . . A 109 VAL CG2 . 36445 1 1170 . 1 . 1 109 109 VAL N N 15 121.629 0.300 . 1 . . . . A 109 VAL N . 36445 1 1171 . 1 . 1 110 110 PRO HA H 1 4.306 0.030 . 1 . . . . A 110 PRO HA . 36445 1 1172 . 1 . 1 110 110 PRO HB2 H 1 2.185 0.030 . 2 . . . . A 110 PRO HB2 . 36445 1 1173 . 1 . 1 110 110 PRO HB3 H 1 1.885 0.030 . 2 . . . . A 110 PRO HB3 . 36445 1 1174 . 1 . 1 110 110 PRO HG2 H 1 1.877 0.030 . 2 . . . . A 110 PRO HG2 . 36445 1 1175 . 1 . 1 110 110 PRO HG3 H 1 2.011 0.030 . 2 . . . . A 110 PRO HG3 . 36445 1 1176 . 1 . 1 110 110 PRO HD2 H 1 3.586 0.030 . 2 . . . . A 110 PRO HD2 . 36445 1 1177 . 1 . 1 110 110 PRO HD3 H 1 3.782 0.030 . 2 . . . . A 110 PRO HD3 . 36445 1 1178 . 1 . 1 110 110 PRO C C 13 172.941 0.300 . 1 . . . . A 110 PRO C . 36445 1 1179 . 1 . 1 110 110 PRO CA C 13 60.667 0.300 . 1 . . . . A 110 PRO CA . 36445 1 1180 . 1 . 1 110 110 PRO CB C 13 29.294 0.300 . 1 . . . . A 110 PRO CB . 36445 1 1181 . 1 . 1 110 110 PRO CG C 13 24.655 0.300 . 1 . . . . A 110 PRO CG . 36445 1 1182 . 1 . 1 110 110 PRO CD C 13 48.354 0.300 . 1 . . . . A 110 PRO CD . 36445 1 1183 . 1 . 1 111 111 ALA H H 1 7.872 0.030 . 1 . . . . A 111 ALA H . 36445 1 1184 . 1 . 1 111 111 ALA HA H 1 4.054 0.030 . 1 . . . . A 111 ALA HA . 36445 1 1185 . 1 . 1 111 111 ALA HB1 H 1 1.273 0.030 . 1 . . . . A 111 ALA HB1 . 36445 1 1186 . 1 . 1 111 111 ALA HB2 H 1 1.273 0.030 . 1 . . . . A 111 ALA HB2 . 36445 1 1187 . 1 . 1 111 111 ALA HB3 H 1 1.273 0.030 . 1 . . . . A 111 ALA HB3 . 36445 1 1188 . 1 . 1 111 111 ALA CA C 13 51.121 0.300 . 1 . . . . A 111 ALA CA . 36445 1 1189 . 1 . 1 111 111 ALA CB C 13 17.511 0.300 . 1 . . . . A 111 ALA CB . 36445 1 1190 . 1 . 1 111 111 ALA N N 15 130.254 0.300 . 1 . . . . A 111 ALA N . 36445 1 stop_ save_