data_27435 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27435 _Entry.Title ; NMR assignments of Decorator, a phage-cementing 15 KDa monomer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-28 _Entry.Accession_date 2018-03-28 _Entry.Last_release_date 2018-03-28 _Entry.Original_release_date 2018-03-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Rebecca Newcomer . L. . . 27435 2 Helen Belato . . . . 27435 3 Carolyn Teschke . M. . . 27435 4 Andrei Alexandrescu . T. . . 27435 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Molecular and Cell Biology, University of Connecticut' . 27435 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27435 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 27435 '15N chemical shifts' 141 27435 '1H chemical shifts' 739 27435 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 . . 2018-09-19 . original BMRB . 27435 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27435 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30109462 _Citation.Full_citation . _Citation.Title ; NMR assignments for monomeric phage L decoration protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 339 _Citation.Page_last 343 _Citation.Year 2018 _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 Rebecca Newcomer . L. . . 27435 1 2 Helen Belato . . . . 27435 1 3 Carolyn Teschke . M. . . 27435 1 4 Andrei Alexandrescu . T. . . 27435 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27435 _Assembly.ID 1 _Assembly.Name 'Decorator monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15000 _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 'Decorator monomer' 1 $Decorator A . yes native no no . . . 27435 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Decorator _Entity.Sf_category entity _Entity.Sf_framecode Decorator _Entity.Entry_ID 27435 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Decorator _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMANPNFTPSWPLYKDAD GVYVSALPIKAIKYANDGSA NAEFDGPYADQYMSAQTVAV FKPEVGGYLFRSQYGELLYM SKTAFEANYTSASGSVANAE TADKLSTARTITLTGAVTGS ASFDGSANVTIETTSGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence begins with -2 (g) and ends with 134 (S).' _Entity.Polymer_author_seq_details ; The residues 'gsh' are an artifact of thrombin cleavage. The actual sequence of Dec begins with 'M...', with M being residue 1. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes GB AY795968.1 . Dec . . . . . . . . . . . . . . 27435 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Stabilize Phage L capsid shell against internal DNA pressure' 27435 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 -2 GLY . 27435 1 2 -1 SER . 27435 1 3 0 HIS . 27435 1 4 1 MET . 27435 1 5 2 ALA . 27435 1 6 3 ASN . 27435 1 7 4 PRO . 27435 1 8 5 ASN . 27435 1 9 6 PHE . 27435 1 10 7 THR . 27435 1 11 8 PRO . 27435 1 12 9 SER . 27435 1 13 10 TRP . 27435 1 14 11 PRO . 27435 1 15 12 LEU . 27435 1 16 13 TYR . 27435 1 17 14 LYS . 27435 1 18 15 ASP . 27435 1 19 16 ALA . 27435 1 20 17 ASP . 27435 1 21 18 GLY . 27435 1 22 19 VAL . 27435 1 23 20 TYR . 27435 1 24 21 VAL . 27435 1 25 22 SER . 27435 1 26 23 ALA . 27435 1 27 24 LEU . 27435 1 28 25 PRO . 27435 1 29 26 ILE . 27435 1 30 27 LYS . 27435 1 31 28 ALA . 27435 1 32 29 ILE . 27435 1 33 30 LYS . 27435 1 34 31 TYR . 27435 1 35 32 ALA . 27435 1 36 33 ASN . 27435 1 37 34 ASP . 27435 1 38 35 GLY . 27435 1 39 36 SER . 27435 1 40 37 ALA . 27435 1 41 38 ASN . 27435 1 42 39 ALA . 27435 1 43 40 GLU . 27435 1 44 41 PHE . 27435 1 45 42 ASP . 27435 1 46 43 GLY . 27435 1 47 44 PRO . 27435 1 48 45 TYR . 27435 1 49 46 ALA . 27435 1 50 47 ASP . 27435 1 51 48 GLN . 27435 1 52 49 TYR . 27435 1 53 50 MET . 27435 1 54 51 SER . 27435 1 55 52 ALA . 27435 1 56 53 GLN . 27435 1 57 54 THR . 27435 1 58 55 VAL . 27435 1 59 56 ALA . 27435 1 60 57 VAL . 27435 1 61 58 PHE . 27435 1 62 59 LYS . 27435 1 63 60 PRO . 27435 1 64 61 GLU . 27435 1 65 62 VAL . 27435 1 66 63 GLY . 27435 1 67 64 GLY . 27435 1 68 65 TYR . 27435 1 69 66 LEU . 27435 1 70 67 PHE . 27435 1 71 68 ARG . 27435 1 72 69 SER . 27435 1 73 70 GLN . 27435 1 74 71 TYR . 27435 1 75 72 GLY . 27435 1 76 73 GLU . 27435 1 77 74 LEU . 27435 1 78 75 LEU . 27435 1 79 76 TYR . 27435 1 80 77 MET . 27435 1 81 78 SER . 27435 1 82 79 LYS . 27435 1 83 80 THR . 27435 1 84 81 ALA . 27435 1 85 82 PHE . 27435 1 86 83 GLU . 27435 1 87 84 ALA . 27435 1 88 85 ASN . 27435 1 89 86 TYR . 27435 1 90 87 THR . 27435 1 91 88 SER . 27435 1 92 89 ALA . 27435 1 93 90 SER . 27435 1 94 91 GLY . 27435 1 95 92 SER . 27435 1 96 93 VAL . 27435 1 97 94 ALA . 27435 1 98 95 ASN . 27435 1 99 96 ALA . 27435 1 100 97 GLU . 27435 1 101 98 THR . 27435 1 102 99 ALA . 27435 1 103 100 ASP . 27435 1 104 101 LYS . 27435 1 105 102 LEU . 27435 1 106 103 SER . 27435 1 107 104 THR . 27435 1 108 105 ALA . 27435 1 109 106 ARG . 27435 1 110 107 THR . 27435 1 111 108 ILE . 27435 1 112 109 THR . 27435 1 113 110 LEU . 27435 1 114 111 THR . 27435 1 115 112 GLY . 27435 1 116 113 ALA . 27435 1 117 114 VAL . 27435 1 118 115 THR . 27435 1 119 116 GLY . 27435 1 120 117 SER . 27435 1 121 118 ALA . 27435 1 122 119 SER . 27435 1 123 120 PHE . 27435 1 124 121 ASP . 27435 1 125 122 GLY . 27435 1 126 123 SER . 27435 1 127 124 ALA . 27435 1 128 125 ASN . 27435 1 129 126 VAL . 27435 1 130 127 THR . 27435 1 131 128 ILE . 27435 1 132 129 GLU . 27435 1 133 130 THR . 27435 1 134 131 THR . 27435 1 135 132 SER . 27435 1 136 133 GLY . 27435 1 137 134 SER . 27435 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 27435 1 . SER 2 2 27435 1 . HIS 3 3 27435 1 . MET 4 4 27435 1 . ALA 5 5 27435 1 . ASN 6 6 27435 1 . PRO 7 7 27435 1 . ASN 8 8 27435 1 . PHE 9 9 27435 1 . THR 10 10 27435 1 . PRO 11 11 27435 1 . SER 12 12 27435 1 . TRP 13 13 27435 1 . PRO 14 14 27435 1 . LEU 15 15 27435 1 . TYR 16 16 27435 1 . LYS 17 17 27435 1 . ASP 18 18 27435 1 . ALA 19 19 27435 1 . ASP 20 20 27435 1 . GLY 21 21 27435 1 . VAL 22 22 27435 1 . TYR 23 23 27435 1 . VAL 24 24 27435 1 . SER 25 25 27435 1 . ALA 26 26 27435 1 . LEU 27 27 27435 1 . PRO 28 28 27435 1 . ILE 29 29 27435 1 . LYS 30 30 27435 1 . ALA 31 31 27435 1 . ILE 32 32 27435 1 . LYS 33 33 27435 1 . TYR 34 34 27435 1 . ALA 35 35 27435 1 . ASN 36 36 27435 1 . ASP 37 37 27435 1 . GLY 38 38 27435 1 . SER 39 39 27435 1 . ALA 40 40 27435 1 . ASN 41 41 27435 1 . ALA 42 42 27435 1 . GLU 43 43 27435 1 . PHE 44 44 27435 1 . ASP 45 45 27435 1 . GLY 46 46 27435 1 . PRO 47 47 27435 1 . TYR 48 48 27435 1 . ALA 49 49 27435 1 . ASP 50 50 27435 1 . GLN 51 51 27435 1 . TYR 52 52 27435 1 . MET 53 53 27435 1 . SER 54 54 27435 1 . ALA 55 55 27435 1 . GLN 56 56 27435 1 . THR 57 57 27435 1 . VAL 58 58 27435 1 . ALA 59 59 27435 1 . VAL 60 60 27435 1 . PHE 61 61 27435 1 . LYS 62 62 27435 1 . PRO 63 63 27435 1 . GLU 64 64 27435 1 . VAL 65 65 27435 1 . GLY 66 66 27435 1 . GLY 67 67 27435 1 . TYR 68 68 27435 1 . LEU 69 69 27435 1 . PHE 70 70 27435 1 . ARG 71 71 27435 1 . SER 72 72 27435 1 . GLN 73 73 27435 1 . TYR 74 74 27435 1 . GLY 75 75 27435 1 . GLU 76 76 27435 1 . LEU 77 77 27435 1 . LEU 78 78 27435 1 . TYR 79 79 27435 1 . MET 80 80 27435 1 . SER 81 81 27435 1 . LYS 82 82 27435 1 . THR 83 83 27435 1 . ALA 84 84 27435 1 . PHE 85 85 27435 1 . GLU 86 86 27435 1 . ALA 87 87 27435 1 . ASN 88 88 27435 1 . TYR 89 89 27435 1 . THR 90 90 27435 1 . SER 91 91 27435 1 . ALA 92 92 27435 1 . SER 93 93 27435 1 . GLY 94 94 27435 1 . SER 95 95 27435 1 . VAL 96 96 27435 1 . ALA 97 97 27435 1 . ASN 98 98 27435 1 . ALA 99 99 27435 1 . GLU 100 100 27435 1 . THR 101 101 27435 1 . ALA 102 102 27435 1 . ASP 103 103 27435 1 . LYS 104 104 27435 1 . LEU 105 105 27435 1 . SER 106 106 27435 1 . THR 107 107 27435 1 . ALA 108 108 27435 1 . ARG 109 109 27435 1 . THR 110 110 27435 1 . ILE 111 111 27435 1 . THR 112 112 27435 1 . LEU 113 113 27435 1 . THR 114 114 27435 1 . GLY 115 115 27435 1 . ALA 116 116 27435 1 . VAL 117 117 27435 1 . THR 118 118 27435 1 . GLY 119 119 27435 1 . SER 120 120 27435 1 . ALA 121 121 27435 1 . SER 122 122 27435 1 . PHE 123 123 27435 1 . ASP 124 124 27435 1 . GLY 125 125 27435 1 . SER 126 126 27435 1 . ALA 127 127 27435 1 . ASN 128 128 27435 1 . VAL 129 129 27435 1 . THR 130 130 27435 1 . ILE 131 131 27435 1 . GLU 132 132 27435 1 . THR 133 133 27435 1 . THR 134 134 27435 1 . SER 135 135 27435 1 . GLY 136 136 27435 1 . SER 137 137 27435 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 27435 _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 $Decorator . 45441 virus . 'salmonella enterica Phage L' 'Enterobacteria phage L' . . Viruses . . . LT2 . . . . . . . . . . dec . 27435 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 27435 _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 $Decorator . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pet15b . . . 27435 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27435 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The pH of the sample was lowered to 2 for a brief period, before being raised to pH 4.02.' _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 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 27435 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27435 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27435 1 4 Decorator '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Decorator . . 0.08 . . mM . . . . 27435 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27435 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Two separate samples had their pH lowered to 2 for a period of 5 minutes before being raised to 4. The two samples were pooled together and lyophilized. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 40 . . mM . . . . 27435 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27435 2 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 27435 2 4 Decorator '[U-10% 13C; U-100% 15N]' . . 1 $Decorator . . 1 . . mM . . . . 27435 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27435 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH was raised to 4.05 after being unfolded at pH 1.97 for 2 minutes.' _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 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 27435 3 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27435 3 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27435 3 4 Decorator '[U-100% 15N]' . . 1 $Decorator . . 0.15 . . mM . . . . 27435 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27435 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample was unfolded to pH 2 for a period of time before being refolded at pH 4.' _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 Decorator '[U-100% 13C; U-100% 15N; U-50% 2H]' . . 1 $Decorator . . 0.2 . . mM . . . . 27435 4 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 27435 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27435 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27435 4 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 27435 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27435 1 pH 4 . pH 27435 1 pressure 1 . atm 27435 1 temperature 273 . K 27435 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27435 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 27435 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27435 1 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 27435 _Software.ID 2 _Software.Type . _Software.Name CcpNMR_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27435 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27435 2 'peak picking' 27435 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UCONN_Health_Center_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UCONN_Health_Center_800 _NMR_spectrometer.Entry_ID 27435 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_UCONN_Chemistry_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode UCONN_Chemistry_600 _NMR_spectrometer.Entry_ID 27435 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27435 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 UCONN_Health_Center_800 Varian INOVA . 800 . . . 27435 1 2 UCONN_Chemistry_600 Varian INOVA . 600 . . . 27435 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 27435 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $UCONN_Health_Center_800 . . . . . . . . . . . . . . . . 27435 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27435 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 internal indirect 0.251449530 . . . . . 27435 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 27435 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27435 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27435 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27435 1 2 '3D HNCA' . . . 27435 1 3 '3D HN(CO)CA' . . . 27435 1 4 '3D HNCACB' . . . 27435 1 5 '3D HNCO' . . . 27435 1 6 '3D HN(CA)CO' . . . 27435 1 7 '3D HCCH-TOCSY' . . . 27435 1 8 '3D CCH-TOCSY' . . . 27435 1 9 '3D 1H-15N TOCSY' . . . 27435 1 10 '3D 1H-15N NOESY' . . . 27435 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4.323 0.000 . 1 . . . . . -2 GLY HA2 . 27435 1 2 . 1 1 1 1 GLY C C 13 174.200 0.000 . 1 . . . . . -2 GLY C . 27435 1 3 . 1 1 1 1 GLY CA C 13 45.127 0.000 . 1 . . . . . -2 GLY CA . 27435 1 4 . 1 1 2 2 SER H H 1 8.161 0.005 . 1 . . . . . -1 SER H . 27435 1 5 . 1 1 2 2 SER HA H 1 4.418 0.010 . 1 . . . . . -1 SER HA . 27435 1 6 . 1 1 2 2 SER HB2 H 1 3.871 0.009 . 1 . . . . . -1 SER HB2 . 27435 1 7 . 1 1 2 2 SER C C 13 174.236 0.000 . 1 . . . . . -1 SER C . 27435 1 8 . 1 1 2 2 SER CA C 13 58.057 0.000 . 1 . . . . . -1 SER CA . 27435 1 9 . 1 1 2 2 SER CB C 13 63.244 0.000 . 1 . . . . . -1 SER CB . 27435 1 10 . 1 1 2 2 SER N N 15 115.499 0.009 . 1 . . . . . -1 SER N . 27435 1 11 . 1 1 3 3 HIS H H 1 8.615 0.005 . 1 . . . . . 0 HIS H . 27435 1 12 . 1 1 3 3 HIS HA H 1 4.684 0.004 . 1 . . . . . 0 HIS HA . 27435 1 13 . 1 1 3 3 HIS HB2 H 1 3.116 0.004 . 2 . . . . . 0 HIS HB2 . 27435 1 14 . 1 1 3 3 HIS HB3 H 1 3.210 0.001 . 2 . . . . . 0 HIS HB3 . 27435 1 15 . 1 1 3 3 HIS HD2 H 1 7.310 0.000 . 1 . . . . . 0 HIS HD2 . 27435 1 16 . 1 1 3 3 HIS C C 13 174.240 0.000 . 1 . . . . . 0 HIS C . 27435 1 17 . 1 1 3 3 HIS CA C 13 55.160 0.000 . 1 . . . . . 0 HIS CA . 27435 1 18 . 1 1 3 3 HIS CB C 13 28.529 0.000 . 1 . . . . . 0 HIS CB . 27435 1 19 . 1 1 3 3 HIS N N 15 120.244 0.059 . 1 . . . . . 0 HIS N . 27435 1 20 . 1 1 4 4 MET H H 1 8.324 0.002 . 1 . . . . . 1 MET H . 27435 1 21 . 1 1 4 4 MET HA H 1 4.403 0.010 . 1 . . . . . 1 MET HA . 27435 1 22 . 1 1 4 4 MET HB2 H 1 1.910 0.005 . 2 . . . . . 1 MET HB2 . 27435 1 23 . 1 1 4 4 MET HB3 H 1 2.008 0.024 . 2 . . . . . 1 MET HB3 . 27435 1 24 . 1 1 4 4 MET HG2 H 1 2.477 0.021 . 2 . . . . . 1 MET HG2 . 27435 1 25 . 1 1 4 4 MET HG3 H 1 2.514 0.016 . 2 . . . . . 1 MET HG3 . 27435 1 26 . 1 1 4 4 MET C C 13 175.618 0.000 . 1 . . . . . 1 MET C . 27435 1 27 . 1 1 4 4 MET CA C 13 55.305 0.000 . 1 . . . . . 1 MET CA . 27435 1 28 . 1 1 4 4 MET CB C 13 32.502 0.000 . 1 . . . . . 1 MET CB . 27435 1 29 . 1 1 4 4 MET CG C 13 31.944 0.000 . 1 . . . . . 1 MET CG . 27435 1 30 . 1 1 4 4 MET N N 15 121.655 0.040 . 1 . . . . . 1 MET N . 27435 1 31 . 1 1 5 5 ALA H H 1 8.297 0.006 . 1 . . . . . 2 ALA H . 27435 1 32 . 1 1 5 5 ALA HA H 1 4.258 0.007 . 1 . . . . . 2 ALA HA . 27435 1 33 . 1 1 5 5 ALA HB1 H 1 1.348 0.038 . 1 . . . . . 2 ALA HB1 . 27435 1 34 . 1 1 5 5 ALA HB2 H 1 1.348 0.038 . 1 . . . . . 2 ALA HB2 . 27435 1 35 . 1 1 5 5 ALA HB3 H 1 1.348 0.038 . 1 . . . . . 2 ALA HB3 . 27435 1 36 . 1 1 5 5 ALA C C 13 177.068 0.000 . 1 . . . . . 2 ALA C . 27435 1 37 . 1 1 5 5 ALA CA C 13 52.084 0.000 . 1 . . . . . 2 ALA CA . 27435 1 38 . 1 1 5 5 ALA CB C 13 18.582 0.000 . 1 . . . . . 2 ALA CB . 27435 1 39 . 1 1 5 5 ALA N N 15 125.140 0.000 . 1 . . . . . 2 ALA N . 27435 1 40 . 1 1 6 6 ASN H H 1 8.291 0.002 . 1 . . . . . 3 ASN H . 27435 1 41 . 1 1 6 6 ASN HA H 1 4.914 0.000 . 1 . . . . . 3 ASN HA . 27435 1 42 . 1 1 6 6 ASN HB2 H 1 2.778 0.014 . 2 . . . . . 3 ASN HB2 . 27435 1 43 . 1 1 6 6 ASN HB3 H 1 2.651 0.010 . 2 . . . . . 3 ASN HB3 . 27435 1 44 . 1 1 6 6 ASN HD21 H 1 7.559 0.002 . 1 . . . . . 3 ASN HD21 . 27435 1 45 . 1 1 6 6 ASN HD22 H 1 6.959 0.003 . 1 . . . . . 3 ASN HD22 . 27435 1 46 . 1 1 6 6 ASN C C 13 173.801 0.000 . 1 . . . . . 3 ASN C . 27435 1 47 . 1 1 6 6 ASN CA C 13 50.826 0.000 . 1 . . . . . 3 ASN CA . 27435 1 48 . 1 1 6 6 ASN CB C 13 38.574 0.000 . 1 . . . . . 3 ASN CB . 27435 1 49 . 1 1 6 6 ASN N N 15 118.590 0.000 . 1 . . . . . 3 ASN N . 27435 1 50 . 1 1 6 6 ASN ND2 N 15 112.503 0.007 . 1 . . . . . 3 ASN ND2 . 27435 1 51 . 1 1 7 7 PRO HA H 1 4.386 0.003 . 1 . . . . . 4 PRO HA . 27435 1 52 . 1 1 7 7 PRO HB2 H 1 2.203 0.019 . 2 . . . . . 4 PRO HB2 . 27435 1 53 . 1 1 7 7 PRO HB3 H 1 1.858 0.062 . 2 . . . . . 4 PRO HB3 . 27435 1 54 . 1 1 7 7 PRO HG2 H 1 1.950 0.032 . 2 . . . . . 4 PRO HG2 . 27435 1 55 . 1 1 7 7 PRO HG3 H 1 1.906 0.012 . 2 . . . . . 4 PRO HG3 . 27435 1 56 . 1 1 7 7 PRO HD2 H 1 3.766 0.000 . 1 . . . . . 4 PRO HD2 . 27435 1 57 . 1 1 7 7 PRO C C 13 176.703 0.000 . 1 . . . . . 4 PRO C . 27435 1 58 . 1 1 7 7 PRO CA C 13 63.282 0.000 . 1 . . . . . 4 PRO CA . 27435 1 59 . 1 1 7 7 PRO CB C 13 31.482 0.000 . 1 . . . . . 4 PRO CB . 27435 1 60 . 1 1 7 7 PRO CG C 13 27.090 0.000 . 1 . . . . . 4 PRO CG . 27435 1 61 . 1 1 7 7 PRO CD C 13 50.615 0.000 . 1 . . . . . 4 PRO CD . 27435 1 62 . 1 1 8 8 ASN H H 1 8.266 0.002 . 1 . . . . . 5 ASN H . 27435 1 63 . 1 1 8 8 ASN HA H 1 4.608 0.045 . 1 . . . . . 5 ASN HA . 27435 1 64 . 1 1 8 8 ASN HB2 H 1 2.690 0.045 . 2 . . . . . 5 ASN HB2 . 27435 1 65 . 1 1 8 8 ASN HB3 H 1 2.599 0.035 . 2 . . . . . 5 ASN HB3 . 27435 1 66 . 1 1 8 8 ASN HD21 H 1 7.495 0.005 . 1 . . . . . 5 ASN HD21 . 27435 1 67 . 1 1 8 8 ASN HD22 H 1 6.867 0.005 . 1 . . . . . 5 ASN HD22 . 27435 1 68 . 1 1 8 8 ASN C C 13 174.714 0.000 . 1 . . . . . 5 ASN C . 27435 1 69 . 1 1 8 8 ASN CA C 13 53.032 0.000 . 1 . . . . . 5 ASN CA . 27435 1 70 . 1 1 8 8 ASN CB C 13 38.537 0.000 . 1 . . . . . 5 ASN CB . 27435 1 71 . 1 1 8 8 ASN N N 15 117.170 0.000 . 1 . . . . . 5 ASN N . 27435 1 72 . 1 1 8 8 ASN ND2 N 15 112.742 0.044 . 1 . . . . . 5 ASN ND2 . 27435 1 73 . 1 1 9 9 PHE H H 1 7.886 0.015 . 1 . . . . . 6 PHE H . 27435 1 74 . 1 1 9 9 PHE HA H 1 4.643 0.001 . 1 . . . . . 6 PHE HA . 27435 1 75 . 1 1 9 9 PHE HB2 H 1 3.004 0.000 . 1 . . . . . 6 PHE HB2 . 27435 1 76 . 1 1 9 9 PHE HB3 H 1 3.004 0.000 . 1 . . . . . 6 PHE HB3 . 27435 1 77 . 1 1 9 9 PHE C C 13 175.037 0.000 . 1 . . . . . 6 PHE C . 27435 1 78 . 1 1 9 9 PHE CA C 13 57.090 0.000 . 1 . . . . . 6 PHE CA . 27435 1 79 . 1 1 9 9 PHE CB C 13 39.108 0.000 . 1 . . . . . 6 PHE CB . 27435 1 80 . 1 1 9 9 PHE N N 15 120.320 0.000 . 1 . . . . . 6 PHE N . 27435 1 81 . 1 1 10 10 THR H H 1 8.006 0.003 . 1 . . . . . 7 THR H . 27435 1 82 . 1 1 10 10 THR HA H 1 4.488 0.000 . 1 . . . . . 7 THR HA . 27435 1 83 . 1 1 10 10 THR HB H 1 4.530 0.000 . 1 . . . . . 7 THR HB . 27435 1 84 . 1 1 10 10 THR HG21 H 1 1.674 0.052 . 1 . . . . . 7 THR HG21 . 27435 1 85 . 1 1 10 10 THR HG22 H 1 1.674 0.052 . 1 . . . . . 7 THR HG22 . 27435 1 86 . 1 1 10 10 THR HG23 H 1 1.674 0.052 . 1 . . . . . 7 THR HG23 . 27435 1 87 . 1 1 10 10 THR C C 13 172.223 0.000 . 1 . . . . . 7 THR C . 27435 1 88 . 1 1 10 10 THR CA C 13 58.570 0.000 . 1 . . . . . 7 THR CA . 27435 1 89 . 1 1 10 10 THR CB C 13 69.722 0.000 . 1 . . . . . 7 THR CB . 27435 1 90 . 1 1 10 10 THR N N 15 120.010 0.000 . 1 . . . . . 7 THR N . 27435 1 91 . 1 1 11 11 PRO HA H 1 4.349 0.005 . 1 . . . . . 8 PRO HA . 27435 1 92 . 1 1 11 11 PRO C C 13 176.772 0.000 . 1 . . . . . 8 PRO C . 27435 1 93 . 1 1 11 11 PRO CA C 13 62.717 0.000 . 1 . . . . . 8 PRO CA . 27435 1 94 . 1 1 11 11 PRO CB C 13 31.512 0.000 . 1 . . . . . 8 PRO CB . 27435 1 95 . 1 1 12 12 SER H H 1 8.380 0.004 . 1 . . . . . 9 SER H . 27435 1 96 . 1 1 12 12 SER HA H 1 4.507 0.023 . 1 . . . . . 9 SER HA . 27435 1 97 . 1 1 12 12 SER HB2 H 1 3.900 0.023 . 1 . . . . . 9 SER HB2 . 27435 1 98 . 1 1 12 12 SER C C 13 174.363 0.000 . 1 . . . . . 9 SER C . 27435 1 99 . 1 1 12 12 SER CA C 13 57.828 0.000 . 1 . . . . . 9 SER CA . 27435 1 100 . 1 1 12 12 SER CB C 13 63.440 0.000 . 1 . . . . . 9 SER CB . 27435 1 101 . 1 1 12 12 SER N N 15 115.973 0.000 . 1 . . . . . 9 SER N . 27435 1 102 . 1 1 13 13 TRP H H 1 8.309 0.002 . 1 . . . . . 10 TRP H . 27435 1 103 . 1 1 13 13 TRP HA H 1 5.649 0.002 . 1 . . . . . 10 TRP HA . 27435 1 104 . 1 1 13 13 TRP HB2 H 1 3.930 0.000 . 2 . . . . . 10 TRP HB2 . 27435 1 105 . 1 1 13 13 TRP HB3 H 1 2.903 0.000 . 2 . . . . . 10 TRP HB3 . 27435 1 106 . 1 1 13 13 TRP HD1 H 1 6.836 0.009 . 1 . . . . . 10 TRP HD1 . 27435 1 107 . 1 1 13 13 TRP HE1 H 1 10.283 0.000 . 1 . . . . . 10 TRP HE1 . 27435 1 108 . 1 1 13 13 TRP HE3 H 1 7.111 0.000 . 1 . . . . . 10 TRP HE3 . 27435 1 109 . 1 1 13 13 TRP HZ2 H 1 7.420 0.000 . 1 . . . . . 10 TRP HZ2 . 27435 1 110 . 1 1 13 13 TRP HZ3 H 1 7.221 0.000 . 1 . . . . . 10 TRP HZ3 . 27435 1 111 . 1 1 13 13 TRP HH2 H 1 7.333 0.000 . 1 . . . . . 10 TRP HH2 . 27435 1 112 . 1 1 13 13 TRP C C 13 173.691 0.000 . 1 . . . . . 10 TRP C . 27435 1 113 . 1 1 13 13 TRP CA C 13 53.870 0.000 . 1 . . . . . 10 TRP CA . 27435 1 114 . 1 1 13 13 TRP CB C 13 28.010 0.000 . 1 . . . . . 10 TRP CB . 27435 1 115 . 1 1 13 13 TRP N N 15 124.500 0.000 . 1 . . . . . 10 TRP N . 27435 1 116 . 1 1 13 13 TRP NE1 N 15 128.150 0.000 . 1 . . . . . 10 TRP NE1 . 27435 1 117 . 1 1 14 14 PRO HA H 1 4.388 0.009 . 1 . . . . . 11 PRO HA . 27435 1 118 . 1 1 14 14 PRO C C 13 174.704 0.000 . 1 . . . . . 11 PRO C . 27435 1 119 . 1 1 14 14 PRO CA C 13 63.514 0.000 . 1 . . . . . 11 PRO CA . 27435 1 120 . 1 1 14 14 PRO CB C 13 32.070 0.000 . 1 . . . . . 11 PRO CB . 27435 1 121 . 1 1 15 15 LEU H H 1 7.917 0.003 . 1 . . . . . 12 LEU H . 27435 1 122 . 1 1 15 15 LEU HA H 1 5.125 0.039 . 1 . . . . . 12 LEU HA . 27435 1 123 . 1 1 15 15 LEU HB2 H 1 1.495 0.000 . 2 . . . . . 12 LEU HB2 . 27435 1 124 . 1 1 15 15 LEU HB3 H 1 1.451 0.001 . 2 . . . . . 12 LEU HB3 . 27435 1 125 . 1 1 15 15 LEU HG H 1 0.962 0.041 . 1 . . . . . 12 LEU HG . 27435 1 126 . 1 1 15 15 LEU HD11 H 1 0.833 0.035 . 2 . . . . . 12 LEU HD11 . 27435 1 127 . 1 1 15 15 LEU HD12 H 1 0.833 0.035 . 2 . . . . . 12 LEU HD12 . 27435 1 128 . 1 1 15 15 LEU HD13 H 1 0.833 0.035 . 2 . . . . . 12 LEU HD13 . 27435 1 129 . 1 1 15 15 LEU HD21 H 1 0.321 0.000 . 2 . . . . . 12 LEU HD21 . 27435 1 130 . 1 1 15 15 LEU HD22 H 1 0.321 0.000 . 2 . . . . . 12 LEU HD22 . 27435 1 131 . 1 1 15 15 LEU HD23 H 1 0.321 0.000 . 2 . . . . . 12 LEU HD23 . 27435 1 132 . 1 1 15 15 LEU C C 13 177.724 0.000 . 1 . . . . . 12 LEU C . 27435 1 133 . 1 1 15 15 LEU CA C 13 54.283 0.000 . 1 . . . . . 12 LEU CA . 27435 1 134 . 1 1 15 15 LEU CB C 13 44.357 0.000 . 1 . . . . . 12 LEU CB . 27435 1 135 . 1 1 15 15 LEU CG C 13 27.609 0.000 . 1 . . . . . 12 LEU CG . 27435 1 136 . 1 1 15 15 LEU CD1 C 13 17.706 0.000 . 2 . . . . . 12 LEU CD1 . 27435 1 137 . 1 1 15 15 LEU CD2 C 13 21.095 0.000 . 2 . . . . . 12 LEU CD2 . 27435 1 138 . 1 1 15 15 LEU N N 15 119.190 0.000 . 1 . . . . . 12 LEU N . 27435 1 139 . 1 1 16 16 TYR H H 1 9.502 0.024 . 1 . . . . . 13 TYR H . 27435 1 140 . 1 1 16 16 TYR HA H 1 5.001 0.045 . 1 . . . . . 13 TYR HA . 27435 1 141 . 1 1 16 16 TYR HB2 H 1 2.358 0.061 . 1 . . . . . 13 TYR HB2 . 27435 1 142 . 1 1 16 16 TYR HD1 H 1 6.964 0.125 . 1 . . . . . 13 TYR HD1 . 27435 1 143 . 1 1 16 16 TYR HD2 H 1 6.964 0.125 . 1 . . . . . 13 TYR HD2 . 27435 1 144 . 1 1 16 16 TYR HE1 H 1 6.851 0.035 . 1 . . . . . 13 TYR HE1 . 27435 1 145 . 1 1 16 16 TYR HE2 H 1 6.851 0.035 . 1 . . . . . 13 TYR HE2 . 27435 1 146 . 1 1 16 16 TYR C C 13 173.711 0.000 . 1 . . . . . 13 TYR C . 27435 1 147 . 1 1 16 16 TYR CA C 13 56.574 0.000 . 1 . . . . . 13 TYR CA . 27435 1 148 . 1 1 16 16 TYR CB C 13 42.775 0.000 . 1 . . . . . 13 TYR CB . 27435 1 149 . 1 1 16 16 TYR N N 15 121.620 0.000 . 1 . . . . . 13 TYR N . 27435 1 150 . 1 1 17 17 LYS H H 1 9.199 0.001 . 1 . . . . . 14 LYS H . 27435 1 151 . 1 1 17 17 LYS HA H 1 5.537 0.015 . 1 . . . . . 14 LYS HA . 27435 1 152 . 1 1 17 17 LYS HB2 H 1 1.112 0.007 . 1 . . . . . 14 LYS HB2 . 27435 1 153 . 1 1 17 17 LYS C C 13 176.384 0.000 . 1 . . . . . 14 LYS C . 27435 1 154 . 1 1 17 17 LYS CA C 13 53.745 0.000 . 1 . . . . . 14 LYS CA . 27435 1 155 . 1 1 17 17 LYS CB C 13 35.289 0.000 . 1 . . . . . 14 LYS CB . 27435 1 156 . 1 1 17 17 LYS N N 15 116.230 0.000 . 1 . . . . . 14 LYS N . 27435 1 157 . 1 1 18 18 ASP H H 1 8.347 0.002 . 1 . . . . . 15 ASP H . 27435 1 158 . 1 1 18 18 ASP HA H 1 4.833 0.024 . 1 . . . . . 15 ASP HA . 27435 1 159 . 1 1 18 18 ASP HB2 H 1 2.874 0.030 . 2 . . . . . 15 ASP HB2 . 27435 1 160 . 1 1 18 18 ASP HB3 H 1 2.672 0.000 . 2 . . . . . 15 ASP HB3 . 27435 1 161 . 1 1 18 18 ASP C C 13 178.117 0.000 . 1 . . . . . 15 ASP C . 27435 1 162 . 1 1 18 18 ASP CA C 13 51.019 0.000 . 1 . . . . . 15 ASP CA . 27435 1 163 . 1 1 18 18 ASP CB C 13 40.346 0.000 . 1 . . . . . 15 ASP CB . 27435 1 164 . 1 1 18 18 ASP N N 15 122.520 0.000 . 1 . . . . . 15 ASP N . 27435 1 165 . 1 1 19 19 ALA H H 1 8.463 0.002 . 1 . . . . . 16 ALA H . 27435 1 166 . 1 1 19 19 ALA HA H 1 3.969 0.003 . 1 . . . . . 16 ALA HA . 27435 1 167 . 1 1 19 19 ALA HB1 H 1 1.283 0.006 . 1 . . . . . 16 ALA HB1 . 27435 1 168 . 1 1 19 19 ALA HB2 H 1 1.283 0.006 . 1 . . . . . 16 ALA HB2 . 27435 1 169 . 1 1 19 19 ALA HB3 H 1 1.283 0.006 . 1 . . . . . 16 ALA HB3 . 27435 1 170 . 1 1 19 19 ALA C C 13 178.639 0.000 . 1 . . . . . 16 ALA C . 27435 1 171 . 1 1 19 19 ALA CA C 13 54.075 0.000 . 1 . . . . . 16 ALA CA . 27435 1 172 . 1 1 19 19 ALA CB C 13 17.514 0.000 . 1 . . . . . 16 ALA CB . 27435 1 173 . 1 1 19 19 ALA N N 15 120.510 0.000 . 1 . . . . . 16 ALA N . 27435 1 174 . 1 1 20 20 ASP H H 1 7.853 0.008 . 1 . . . . . 17 ASP H . 27435 1 175 . 1 1 20 20 ASP HA H 1 4.715 0.002 . 1 . . . . . 17 ASP HA . 27435 1 176 . 1 1 20 20 ASP HB2 H 1 3.208 0.000 . 2 . . . . . 17 ASP HB2 . 27435 1 177 . 1 1 20 20 ASP HB3 H 1 2.742 0.019 . 2 . . . . . 17 ASP HB3 . 27435 1 178 . 1 1 20 20 ASP C C 13 175.856 0.000 . 1 . . . . . 17 ASP C . 27435 1 179 . 1 1 20 20 ASP CA C 13 52.999 0.000 . 1 . . . . . 17 ASP CA . 27435 1 180 . 1 1 20 20 ASP CB C 13 39.465 0.000 . 1 . . . . . 17 ASP CB . 27435 1 181 . 1 1 20 20 ASP N N 15 115.110 0.000 . 1 . . . . . 17 ASP N . 27435 1 182 . 1 1 21 21 GLY H H 1 8.011 0.005 . 1 . . . . . 18 GLY H . 27435 1 183 . 1 1 21 21 GLY HA2 H 1 4.119 0.000 . 2 . . . . . 18 GLY HA2 . 27435 1 184 . 1 1 21 21 GLY HA3 H 1 3.300 0.007 . 2 . . . . . 18 GLY HA3 . 27435 1 185 . 1 1 21 21 GLY C C 13 173.279 0.000 . 1 . . . . . 18 GLY C . 27435 1 186 . 1 1 21 21 GLY CA C 13 45.400 0.000 . 1 . . . . . 18 GLY CA . 27435 1 187 . 1 1 21 21 GLY N N 15 107.890 0.000 . 1 . . . . . 18 GLY N . 27435 1 188 . 1 1 22 22 VAL H H 1 8.036 0.003 . 1 . . . . . 19 VAL H . 27435 1 189 . 1 1 22 22 VAL HB H 1 2.174 0.085 . 1 . . . . . 19 VAL HB . 27435 1 190 . 1 1 22 22 VAL HG11 H 1 1.382 0.063 . 1 . . . . . 19 VAL HG11 . 27435 1 191 . 1 1 22 22 VAL HG12 H 1 1.382 0.063 . 1 . . . . . 19 VAL HG12 . 27435 1 192 . 1 1 22 22 VAL HG13 H 1 1.382 0.063 . 1 . . . . . 19 VAL HG13 . 27435 1 193 . 1 1 22 22 VAL HG21 H 1 0.908 0.004 . 1 . . . . . 19 VAL HG21 . 27435 1 194 . 1 1 22 22 VAL HG22 H 1 0.908 0.004 . 1 . . . . . 19 VAL HG22 . 27435 1 195 . 1 1 22 22 VAL HG23 H 1 0.908 0.004 . 1 . . . . . 19 VAL HG23 . 27435 1 196 . 1 1 22 22 VAL C C 13 175.633 0.000 . 1 . . . . . 19 VAL C . 27435 1 197 . 1 1 22 22 VAL CA C 13 62.728 0.000 . 1 . . . . . 19 VAL CA . 27435 1 198 . 1 1 22 22 VAL CB C 13 31.062 0.000 . 1 . . . . . 19 VAL CB . 27435 1 199 . 1 1 22 22 VAL N N 15 123.037 0.000 . 1 . . . . . 19 VAL N . 27435 1 200 . 1 1 23 23 TYR H H 1 8.477 0.000 . 1 . . . . . 20 TYR H . 27435 1 201 . 1 1 23 23 TYR HA H 1 4.877 0.000 . 1 . . . . . 20 TYR HA . 27435 1 202 . 1 1 23 23 TYR HB2 H 1 3.092 0.072 . 2 . . . . . 20 TYR HB2 . 27435 1 203 . 1 1 23 23 TYR HB3 H 1 2.755 0.040 . 2 . . . . . 20 TYR HB3 . 27435 1 204 . 1 1 23 23 TYR HD1 H 1 6.733 0.000 . 1 . . . . . 20 TYR HD1 . 27435 1 205 . 1 1 23 23 TYR HD2 H 1 6.733 0.000 . 1 . . . . . 20 TYR HD2 . 27435 1 206 . 1 1 23 23 TYR HE1 H 1 6.965 0.032 . 1 . . . . . 20 TYR HE1 . 27435 1 207 . 1 1 23 23 TYR HE2 H 1 6.965 0.032 . 1 . . . . . 20 TYR HE2 . 27435 1 208 . 1 1 23 23 TYR C C 13 174.254 0.000 . 1 . . . . . 20 TYR C . 27435 1 209 . 1 1 23 23 TYR CA C 13 53.001 0.000 . 1 . . . . . 20 TYR CA . 27435 1 210 . 1 1 23 23 TYR CB C 13 38.557 0.000 . 1 . . . . . 20 TYR CB . 27435 1 211 . 1 1 23 23 TYR N N 15 118.632 0.000 . 1 . . . . . 20 TYR N . 27435 1 212 . 1 1 24 24 VAL H H 1 8.929 0.022 . 1 . . . . . 21 VAL H . 27435 1 213 . 1 1 24 24 VAL HA H 1 3.940 0.000 . 1 . . . . . 21 VAL HA . 27435 1 214 . 1 1 24 24 VAL HB H 1 2.091 0.000 . 1 . . . . . 21 VAL HB . 27435 1 215 . 1 1 24 24 VAL C C 13 175.507 0.000 . 1 . . . . . 21 VAL C . 27435 1 216 . 1 1 24 24 VAL CA C 13 58.957 0.000 . 1 . . . . . 21 VAL CA . 27435 1 217 . 1 1 24 24 VAL CB C 13 31.824 0.000 . 1 . . . . . 21 VAL CB . 27435 1 218 . 1 1 24 24 VAL N N 15 131.17 0.000 . 1 . . . . . 21 VAL N . 27435 1 219 . 1 1 25 25 SER H H 1 8.008 0.004 . 1 . . . . . 22 SER H . 27435 1 220 . 1 1 25 25 SER HA H 1 4.226 0.000 . 1 . . . . . 22 SER HA . 27435 1 221 . 1 1 25 25 SER HB2 H 1 3.900 0.057 . 2 . . . . . 22 SER HB2 . 27435 1 222 . 1 1 25 25 SER HB3 H 1 4.083 0.000 . 2 . . . . . 22 SER HB3 . 27435 1 223 . 1 1 25 25 SER C C 13 172.042 0.000 . 1 . . . . . 22 SER C . 27435 1 224 . 1 1 25 25 SER CA C 13 58.186 0.000 . 1 . . . . . 22 SER CA . 27435 1 225 . 1 1 25 25 SER CB C 13 63.306 0.000 . 1 . . . . . 22 SER CB . 27435 1 226 . 1 1 25 25 SER N N 15 115.330 0.000 . 1 . . . . . 22 SER N . 27435 1 227 . 1 1 26 26 ALA H H 1 8.648 0.009 . 1 . . . . . 23 ALA H . 27435 1 228 . 1 1 26 26 ALA HA H 1 4.875 0.027 . 1 . . . . . 23 ALA HA . 27435 1 229 . 1 1 26 26 ALA HB1 H 1 0.704 0.005 . 1 . . . . . 23 ALA HB1 . 27435 1 230 . 1 1 26 26 ALA HB2 H 1 0.704 0.005 . 1 . . . . . 23 ALA HB2 . 27435 1 231 . 1 1 26 26 ALA HB3 H 1 0.704 0.005 . 1 . . . . . 23 ALA HB3 . 27435 1 232 . 1 1 26 26 ALA C C 13 174.730 0.000 . 1 . . . . . 23 ALA C . 27435 1 233 . 1 1 26 26 ALA CA C 13 50.836 0.000 . 1 . . . . . 23 ALA CA . 27435 1 234 . 1 1 26 26 ALA CB C 13 23.306 0.000 . 1 . . . . . 23 ALA CB . 27435 1 235 . 1 1 26 26 ALA N N 15 117.637 0.000 . 1 . . . . . 23 ALA N . 27435 1 236 . 1 1 27 27 LEU H H 1 8.249 0.023 . 1 . . . . . 24 LEU H . 27435 1 237 . 1 1 27 27 LEU HA H 1 5.88 0.065 . 1 . . . . . 24 LEU HA . 27435 1 238 . 1 1 27 27 LEU HB2 H 1 1.236 0.003 . 2 . . . . . 24 LEU HB2 . 27435 1 239 . 1 1 27 27 LEU HB3 H 1 1.119 0.000 . 2 . . . . . 24 LEU HB3 . 27435 1 240 . 1 1 27 27 LEU HG H 1 1.495 0.001 . 1 . . . . . 24 LEU HG . 27435 1 241 . 1 1 27 27 LEU HD11 H 1 -0.046 0.036 . 2 . . . . . 24 LEU HD11 . 27435 1 242 . 1 1 27 27 LEU HD12 H 1 -0.046 0.036 . 2 . . . . . 24 LEU HD12 . 27435 1 243 . 1 1 27 27 LEU HD13 H 1 -0.046 0.036 . 2 . . . . . 24 LEU HD13 . 27435 1 244 . 1 1 27 27 LEU HD21 H 1 -1.922 0.004 . 2 . . . . . 24 LEU HD21 . 27435 1 245 . 1 1 27 27 LEU HD22 H 1 -1.922 0.004 . 2 . . . . . 24 LEU HD22 . 27435 1 246 . 1 1 27 27 LEU HD23 H 1 -1.922 0.004 . 2 . . . . . 24 LEU HD23 . 27435 1 247 . 1 1 27 27 LEU C C 13 174.546 0.000 . 1 . . . . . 24 LEU C . 27435 1 248 . 1 1 27 27 LEU CA C 13 56.077 0.000 . 1 . . . . . 24 LEU CA . 27435 1 249 . 1 1 27 27 LEU CB C 13 41.336 0.000 . 1 . . . . . 24 LEU CB . 27435 1 250 . 1 1 27 27 LEU CG C 13 27.077 0.000 . 1 . . . . . 24 LEU CG . 27435 1 251 . 1 1 27 27 LEU CD1 C 13 22.726 0.000 . 2 . . . . . 24 LEU CD1 . 27435 1 252 . 1 1 27 27 LEU CD2 C 13 23.694 0.000 . 2 . . . . . 24 LEU CD2 . 27435 1 253 . 1 1 27 27 LEU N N 15 115.997 0.026 . 1 . . . . . 24 LEU N . 27435 1 254 . 1 1 28 28 PRO HA H 1 4.611 0.056 . 1 . . . . . 25 PRO HA . 27435 1 255 . 1 1 28 28 PRO HD2 H 1 4.104 0.020 . 1 . . . . . 25 PRO HD2 . 27435 1 256 . 1 1 28 28 PRO C C 13 175.497 0.000 . 1 . . . . . 25 PRO C . 27435 1 257 . 1 1 28 28 PRO CA C 13 61.717 0.000 . 1 . . . . . 25 PRO CA . 27435 1 258 . 1 1 28 28 PRO CB C 13 32.027 0.000 . 1 . . . . . 25 PRO CB . 27435 1 259 . 1 1 29 29 ILE H H 1 8.751 0.003 . 1 . . . . . 26 ILE H . 27435 1 260 . 1 1 29 29 ILE HA H 1 4.746 0.079 . 1 . . . . . 26 ILE HA . 27435 1 261 . 1 1 29 29 ILE HB H 1 1.158 0.076 . 1 . . . . . 26 ILE HB . 27435 1 262 . 1 1 29 29 ILE HG12 H 1 1.723 0.018 . 1 . . . . . 26 ILE HG12 . 27435 1 263 . 1 1 29 29 ILE HG21 H 1 0.558 0.004 . 1 . . . . . 26 ILE HG21 . 27435 1 264 . 1 1 29 29 ILE HG22 H 1 0.558 0.004 . 1 . . . . . 26 ILE HG22 . 27435 1 265 . 1 1 29 29 ILE HG23 H 1 0.558 0.004 . 1 . . . . . 26 ILE HG23 . 27435 1 266 . 1 1 29 29 ILE HD11 H 1 0.134 0.069 . 1 . . . . . 26 ILE HD11 . 27435 1 267 . 1 1 29 29 ILE HD12 H 1 0.134 0.069 . 1 . . . . . 26 ILE HD12 . 27435 1 268 . 1 1 29 29 ILE HD13 H 1 0.134 0.069 . 1 . . . . . 26 ILE HD13 . 27435 1 269 . 1 1 29 29 ILE C C 13 177.234 0.000 . 1 . . . . . 26 ILE C . 27435 1 270 . 1 1 29 29 ILE CA C 13 60.027 0.000 . 1 . . . . . 26 ILE CA . 27435 1 271 . 1 1 29 29 ILE CB C 13 38.645 0.000 . 1 . . . . . 26 ILE CB . 27435 1 272 . 1 1 29 29 ILE CG1 C 13 26.815 0.000 . 1 . . . . . 26 ILE CG1 . 27435 1 273 . 1 1 29 29 ILE CG2 C 13 21.639 0.000 . 1 . . . . . 26 ILE CG2 . 27435 1 274 . 1 1 29 29 ILE CD1 C 13 12.267 0.000 . 1 . . . . . 26 ILE CD1 . 27435 1 275 . 1 1 29 29 ILE N N 15 118.035 0.000 . 1 . . . . . 26 ILE N . 27435 1 276 . 1 1 30 30 LYS H H 1 9.022 0.003 . 1 . . . . . 27 LYS H . 27435 1 277 . 1 1 30 30 LYS HA H 1 4.300 0.010 . 1 . . . . . 27 LYS HA . 27435 1 278 . 1 1 30 30 LYS HB2 H 1 1.846 0.022 . 2 . . . . . 27 LYS HB2 . 27435 1 279 . 1 1 30 30 LYS HB3 H 1 1.785 0.000 . 2 . . . . . 27 LYS HB3 . 27435 1 280 . 1 1 30 30 LYS HG2 H 1 1.465 0.042 . 2 . . . . . 27 LYS HG2 . 27435 1 281 . 1 1 30 30 LYS HG3 H 1 1.468 0.042 . 2 . . . . . 27 LYS HG3 . 27435 1 282 . 1 1 30 30 LYS HD2 H 1 1.746 0.000 . 2 . . . . . 27 LYS HD2 . 27435 1 283 . 1 1 30 30 LYS HD3 H 1 1.583 0.049 . 2 . . . . . 27 LYS HD3 . 27435 1 284 . 1 1 30 30 LYS HE2 H 1 2.962 0.048 . 2 . . . . . 27 LYS HE2 . 27435 1 285 . 1 1 30 30 LYS HE3 H 1 2.969 0.056 . 2 . . . . . 27 LYS HE3 . 27435 1 286 . 1 1 30 30 LYS C C 13 175.011 0.000 . 1 . . . . . 27 LYS C . 27435 1 287 . 1 1 30 30 LYS CA C 13 57.024 0.000 . 1 . . . . . 27 LYS CA . 27435 1 288 . 1 1 30 30 LYS CB C 13 31.996 0.000 . 1 . . . . . 27 LYS CB . 27435 1 289 . 1 1 30 30 LYS CG C 13 25.296 0.000 . 1 . . . . . 27 LYS CG . 27435 1 290 . 1 1 30 30 LYS CD C 13 29.103 0.000 . 1 . . . . . 27 LYS CD . 27435 1 291 . 1 1 30 30 LYS CE C 13 42.378 0.000 . 1 . . . . . 27 LYS CE . 27435 1 292 . 1 1 30 30 LYS N N 15 130.93 0.000 . 1 . . . . . 27 LYS N . 27435 1 293 . 1 1 31 31 ALA H H 1 7.549 0.002 . 1 . . . . . 28 ALA H . 27435 1 294 . 1 1 31 31 ALA HA H 1 4.307 0.000 . 1 . . . . . 28 ALA HA . 27435 1 295 . 1 1 31 31 ALA HB1 H 1 1.178 0.005 . 1 . . . . . 28 ALA HB1 . 27435 1 296 . 1 1 31 31 ALA HB2 H 1 1.178 0.005 . 1 . . . . . 28 ALA HB2 . 27435 1 297 . 1 1 31 31 ALA HB3 H 1 1.178 0.005 . 1 . . . . . 28 ALA HB3 . 27435 1 298 . 1 1 31 31 ALA C C 13 173.937 0.000 . 1 . . . . . 28 ALA C . 27435 1 299 . 1 1 31 31 ALA CA C 13 51.131 0.000 . 1 . . . . . 28 ALA CA . 27435 1 300 . 1 1 31 31 ALA CB C 13 20.963 0.000 . 1 . . . . . 28 ALA CB . 27435 1 301 . 1 1 31 31 ALA N N 15 118.284 0.000 . 1 . . . . . 28 ALA N . 27435 1 302 . 1 1 32 32 ILE H H 1 8.382 0.002 . 1 . . . . . 29 ILE H . 27435 1 303 . 1 1 32 32 ILE HA H 1 4.309 0.002 . 1 . . . . . 29 ILE HA . 27435 1 304 . 1 1 32 32 ILE HB H 1 1.847 0.000 . 1 . . . . . 29 ILE HB . 27435 1 305 . 1 1 32 32 ILE HG12 H 1 1.133 0.049 . 2 . . . . . 29 ILE HG12 . 27435 1 306 . 1 1 32 32 ILE HG13 H 1 1.501 0.035 . 2 . . . . . 29 ILE HG13 . 27435 1 307 . 1 1 32 32 ILE HG21 H 1 0.955 0.035 . 1 . . . . . 29 ILE HG21 . 27435 1 308 . 1 1 32 32 ILE HG22 H 1 0.955 0.035 . 1 . . . . . 29 ILE HG22 . 27435 1 309 . 1 1 32 32 ILE HG23 H 1 0.955 0.035 . 1 . . . . . 29 ILE HG23 . 27435 1 310 . 1 1 32 32 ILE HD11 H 1 0.877 0.000 . 1 . . . . . 29 ILE HD11 . 27435 1 311 . 1 1 32 32 ILE HD12 H 1 0.877 0.000 . 1 . . . . . 29 ILE HD12 . 27435 1 312 . 1 1 32 32 ILE HD13 H 1 0.877 0.000 . 1 . . . . . 29 ILE HD13 . 27435 1 313 . 1 1 32 32 ILE C C 13 173.804 0.000 . 1 . . . . . 29 ILE C . 27435 1 314 . 1 1 32 32 ILE CA C 13 60.234 0.000 . 1 . . . . . 29 ILE CA . 27435 1 315 . 1 1 32 32 ILE CB C 13 40.384 0.000 . 1 . . . . . 29 ILE CB . 27435 1 316 . 1 1 32 32 ILE CG2 C 13 21.514 0.000 . 1 . . . . . 29 ILE CG2 . 27435 1 317 . 1 1 32 32 ILE CD1 C 13 12.811 0.000 . 1 . . . . . 29 ILE CD1 . 27435 1 318 . 1 1 32 32 ILE N N 15 118.780 0.000 . 1 . . . . . 29 ILE N . 27435 1 319 . 1 1 33 33 LYS H H 1 8.271 0.001 . 1 . . . . . 30 LYS H . 27435 1 320 . 1 1 33 33 LYS HA H 1 4.605 0.036 . 1 . . . . . 30 LYS HA . 27435 1 321 . 1 1 33 33 LYS HB2 H 1 1.676 0.010 . 2 . . . . . 30 LYS HB2 . 27435 1 322 . 1 1 33 33 LYS HB3 H 1 1.773 0.000 . 2 . . . . . 30 LYS HB3 . 27435 1 323 . 1 1 33 33 LYS HE2 H 1 2.988 0.091 . 1 . . . . . 30 LYS HE2 . 27435 1 324 . 1 1 33 33 LYS C C 13 176.393 0.000 . 1 . . . . . 30 LYS C . 27435 1 325 . 1 1 33 33 LYS CA C 13 53.395 0.000 . 1 . . . . . 30 LYS CA . 27435 1 326 . 1 1 33 33 LYS CB C 13 32.810 0.000 . 1 . . . . . 30 LYS CB . 27435 1 327 . 1 1 33 33 LYS CE C 13 41.639 0.000 . 1 . . . . . 30 LYS CE . 27435 1 328 . 1 1 33 33 LYS N N 15 126.720 0.000 . 1 . . . . . 30 LYS N . 27435 1 329 . 1 1 34 34 TYR H H 1 8.958 0.003 . 1 . . . . . 31 TYR H . 27435 1 330 . 1 1 34 34 TYR HA H 1 4.605 0.017 . 1 . . . . . 31 TYR HA . 27435 1 331 . 1 1 34 34 TYR HB2 H 1 2.730 0.000 . 2 . . . . . 31 TYR HB2 . 27435 1 332 . 1 1 34 34 TYR HB3 H 1 2.852 0.000 . 2 . . . . . 31 TYR HB3 . 27435 1 333 . 1 1 34 34 TYR HD1 H 1 7.066 0.007 . 1 . . . . . 31 TYR HD1 . 27435 1 334 . 1 1 34 34 TYR HD2 H 1 7.066 0.007 . 1 . . . . . 31 TYR HD2 . 27435 1 335 . 1 1 34 34 TYR HE1 H 1 6.549 0.012 . 1 . . . . . 31 TYR HE1 . 27435 1 336 . 1 1 34 34 TYR HE2 H 1 6.549 0.012 . 1 . . . . . 31 TYR HE2 . 27435 1 337 . 1 1 34 34 TYR C C 13 175.795 0.000 . 1 . . . . . 31 TYR C . 27435 1 338 . 1 1 34 34 TYR CA C 13 59.062 0.000 . 1 . . . . . 31 TYR CA . 27435 1 339 . 1 1 34 34 TYR CB C 13 38.954 0.000 . 1 . . . . . 31 TYR CB . 27435 1 340 . 1 1 34 34 TYR N N 15 127.120 0.000 . 1 . . . . . 31 TYR N . 27435 1 341 . 1 1 35 35 ALA H H 1 8.661 0.002 . 1 . . . . . 32 ALA H . 27435 1 342 . 1 1 35 35 ALA HA H 1 4.752 0.016 . 1 . . . . . 32 ALA HA . 27435 1 343 . 1 1 35 35 ALA HB1 H 1 1.500 0.017 . 1 . . . . . 32 ALA HB1 . 27435 1 344 . 1 1 35 35 ALA HB2 H 1 1.500 0.017 . 1 . . . . . 32 ALA HB2 . 27435 1 345 . 1 1 35 35 ALA HB3 H 1 1.500 0.017 . 1 . . . . . 32 ALA HB3 . 27435 1 346 . 1 1 35 35 ALA C C 13 179.610 0.000 . 1 . . . . . 32 ALA C . 27435 1 347 . 1 1 35 35 ALA CA C 13 50.148 0.000 . 1 . . . . . 32 ALA CA . 27435 1 348 . 1 1 35 35 ALA CB C 13 20.841 0.000 . 1 . . . . . 32 ALA CB . 27435 1 349 . 1 1 35 35 ALA N N 15 125.270 0.000 . 1 . . . . . 32 ALA N . 27435 1 350 . 1 1 36 36 ASN H H 1 8.814 0.001 . 1 . . . . . 33 ASN H . 27435 1 351 . 1 1 36 36 ASN HA H 1 4.547 0.069 . 1 . . . . . 33 ASN HA . 27435 1 352 . 1 1 36 36 ASN HB2 H 1 2.878 0.018 . 2 . . . . . 33 ASN HB2 . 27435 1 353 . 1 1 36 36 ASN HB3 H 1 3.113 0.000 . 2 . . . . . 33 ASN HB3 . 27435 1 354 . 1 1 36 36 ASN HD21 H 1 7.580 0.003 . 1 . . . . . 33 ASN HD21 . 27435 1 355 . 1 1 36 36 ASN HD22 H 1 6.905 0.005 . 1 . . . . . 33 ASN HD22 . 27435 1 356 . 1 1 36 36 ASN C C 13 175.579 0.000 . 1 . . . . . 33 ASN C . 27435 1 357 . 1 1 36 36 ASN CA C 13 55.139 0.000 . 1 . . . . . 33 ASN CA . 27435 1 358 . 1 1 36 36 ASN CB C 13 37.541 0.000 . 1 . . . . . 33 ASN CB . 27435 1 359 . 1 1 36 36 ASN N N 15 118.840 0.000 . 1 . . . . . 33 ASN N . 27435 1 360 . 1 1 36 36 ASN ND2 N 15 111.801 0.034 . 1 . . . . . 33 ASN ND2 . 27435 1 361 . 1 1 37 37 ASP H H 1 7.787 0.003 . 1 . . . . . 34 ASP H . 27435 1 362 . 1 1 37 37 ASP HA H 1 4.593 0.000 . 1 . . . . . 34 ASP HA . 27435 1 363 . 1 1 37 37 ASP HB2 H 1 2.591 0.019 . 2 . . . . . 34 ASP HB2 . 27435 1 364 . 1 1 37 37 ASP HB3 H 1 2.755 0.002 . 2 . . . . . 34 ASP HB3 . 27435 1 365 . 1 1 37 37 ASP C C 13 176.758 0.000 . 1 . . . . . 34 ASP C . 27435 1 366 . 1 1 37 37 ASP CA C 13 52.954 0.000 . 1 . . . . . 34 ASP CA . 27435 1 367 . 1 1 37 37 ASP CB C 13 39.441 0.000 . 1 . . . . . 34 ASP CB . 27435 1 368 . 1 1 37 37 ASP N N 15 116.186 0.000 . 1 . . . . . 34 ASP N . 27435 1 369 . 1 1 38 38 GLY H H 1 7.876 0.003 . 1 . . . . . 35 GLY H . 27435 1 370 . 1 1 38 38 GLY HA2 H 1 4.420 0.034 . 2 . . . . . 35 GLY HA2 . 27435 1 371 . 1 1 38 38 GLY HA3 H 1 3.833 0.061 . 2 . . . . . 35 GLY HA3 . 27435 1 372 . 1 1 38 38 GLY C C 13 174.734 0.000 . 1 . . . . . 35 GLY C . 27435 1 373 . 1 1 38 38 GLY CA C 13 45.223 0.000 . 1 . . . . . 35 GLY CA . 27435 1 374 . 1 1 38 38 GLY N N 15 108.060 0.000 . 1 . . . . . 35 GLY N . 27435 1 375 . 1 1 39 39 SER H H 1 8.620 0.007 . 1 . . . . . 36 SER H . 27435 1 376 . 1 1 39 39 SER HA H 1 5.447 0.056 . 1 . . . . . 36 SER HA . 27435 1 377 . 1 1 39 39 SER HB2 H 1 3.234 0.010 . 1 . . . . . 36 SER HB2 . 27435 1 378 . 1 1 39 39 SER C C 13 173.079 0.000 . 1 . . . . . 36 SER C . 27435 1 379 . 1 1 39 39 SER CA C 13 59.533 0.000 . 1 . . . . . 36 SER CA . 27435 1 380 . 1 1 39 39 SER N N 15 112.255 0.102 . 1 . . . . . 36 SER N . 27435 1 381 . 1 1 40 40 ALA H H 1 9.431 0.029 . 1 . . . . . 37 ALA H . 27435 1 382 . 1 1 40 40 ALA HA H 1 4.892 0.059 . 1 . . . . . 37 ALA HA . 27435 1 383 . 1 1 40 40 ALA HB1 H 1 1.533 0.000 . 1 . . . . . 37 ALA HB1 . 27435 1 384 . 1 1 40 40 ALA HB2 H 1 1.533 0.000 . 1 . . . . . 37 ALA HB2 . 27435 1 385 . 1 1 40 40 ALA HB3 H 1 1.533 0.000 . 1 . . . . . 37 ALA HB3 . 27435 1 386 . 1 1 40 40 ALA C C 13 173.872 0.000 . 1 . . . . . 37 ALA C . 27435 1 387 . 1 1 40 40 ALA CA C 13 50.753 0.000 . 1 . . . . . 37 ALA CA . 27435 1 388 . 1 1 40 40 ALA CB C 13 21.418 0.000 . 1 . . . . . 37 ALA CB . 27435 1 389 . 1 1 40 40 ALA N N 15 126.577 0.000 . 1 . . . . . 37 ALA N . 27435 1 390 . 1 1 41 41 ASN H H 1 8.242 0.013 . 1 . . . . . 38 ASN H . 27435 1 391 . 1 1 41 41 ASN HA H 1 5.211 0.042 . 1 . . . . . 38 ASN HA . 27435 1 392 . 1 1 41 41 ASN HB2 H 1 2.147 0.020 . 2 . . . . . 38 ASN HB2 . 27435 1 393 . 1 1 41 41 ASN HB3 H 1 2.396 0.029 . 2 . . . . . 38 ASN HB3 . 27435 1 394 . 1 1 41 41 ASN HD21 H 1 7.212 0.005 . 1 . . . . . 38 ASN HD21 . 27435 1 395 . 1 1 41 41 ASN HD22 H 1 6.719 0.009 . 1 . . . . . 38 ASN HD22 . 27435 1 396 . 1 1 41 41 ASN C C 13 174.549 0.000 . 1 . . . . . 38 ASN C . 27435 1 397 . 1 1 41 41 ASN CA C 13 51.639 0.000 . 1 . . . . . 38 ASN CA . 27435 1 398 . 1 1 41 41 ASN CB C 13 37.195 0.000 . 1 . . . . . 38 ASN CB . 27435 1 399 . 1 1 41 41 ASN N N 15 116.004 0.015 . 1 . . . . . 38 ASN N . 27435 1 400 . 1 1 41 41 ASN ND2 N 15 110.766 0.011 . 1 . . . . . 38 ASN ND2 . 27435 1 401 . 1 1 42 42 ALA H H 1 8.906 0.018 . 1 . . . . . 39 ALA H . 27435 1 402 . 1 1 42 42 ALA HA H 1 4.448 0.065 . 1 . . . . . 39 ALA HA . 27435 1 403 . 1 1 42 42 ALA HB1 H 1 1.125 0.079 . 1 . . . . . 39 ALA HB1 . 27435 1 404 . 1 1 42 42 ALA HB2 H 1 1.125 0.079 . 1 . . . . . 39 ALA HB2 . 27435 1 405 . 1 1 42 42 ALA HB3 H 1 1.125 0.079 . 1 . . . . . 39 ALA HB3 . 27435 1 406 . 1 1 42 42 ALA C C 13 174.663 0.000 . 1 . . . . . 39 ALA C . 27435 1 407 . 1 1 42 42 ALA CA C 13 52.589 0.000 . 1 . . . . . 39 ALA CA . 27435 1 408 . 1 1 42 42 ALA CB C 13 19.448 0.000 . 1 . . . . . 39 ALA CB . 27435 1 409 . 1 1 42 42 ALA N N 15 125.732 0.021 . 1 . . . . . 39 ALA N . 27435 1 410 . 1 1 43 43 GLU H H 1 8.370 0.004 . 1 . . . . . 40 GLU H . 27435 1 411 . 1 1 43 43 GLU HA H 1 4.862 0.000 . 1 . . . . . 40 GLU HA . 27435 1 412 . 1 1 43 43 GLU HB2 H 1 1.827 0.015 . 1 . . . . . 40 GLU HB2 . 27435 1 413 . 1 1 43 43 GLU HB3 H 1 1.827 0.015 . 1 . . . . . 40 GLU HB3 . 27435 1 414 . 1 1 43 43 GLU C C 13 174.780 0.000 . 1 . . . . . 40 GLU C . 27435 1 415 . 1 1 43 43 GLU CA C 13 52.807 0.000 . 1 . . . . . 40 GLU CA . 27435 1 416 . 1 1 43 43 GLU CB C 13 30.539 0.000 . 1 . . . . . 40 GLU CB . 27435 1 417 . 1 1 43 43 GLU N N 15 124.891 0.172 . 1 . . . . . 40 GLU N . 27435 1 418 . 1 1 44 44 PHE H H 1 8.916 0.003 . 1 . . . . . 41 PHE H . 27435 1 419 . 1 1 44 44 PHE HA H 1 4.239 0.058 . 1 . . . . . 41 PHE HA . 27435 1 420 . 1 1 44 44 PHE HB2 H 1 2.512 0.010 . 2 . . . . . 41 PHE HB2 . 27435 1 421 . 1 1 44 44 PHE HB3 H 1 3.226 0.023 . 2 . . . . . 41 PHE HB3 . 27435 1 422 . 1 1 44 44 PHE HD1 H 1 7.109 0.000 . 1 . . . . . 41 PHE HD1 . 27435 1 423 . 1 1 44 44 PHE HD2 H 1 7.109 0.000 . 1 . . . . . 41 PHE HD2 . 27435 1 424 . 1 1 44 44 PHE C C 13 175.225 0.000 . 1 . . . . . 41 PHE C . 27435 1 425 . 1 1 44 44 PHE CA C 13 56.082 0.000 . 1 . . . . . 41 PHE CA . 27435 1 426 . 1 1 44 44 PHE CB C 13 42.748 0.000 . 1 . . . . . 41 PHE CB . 27435 1 427 . 1 1 44 44 PHE N N 15 121.020 0.000 . 1 . . . . . 41 PHE N . 27435 1 428 . 1 1 45 45 ASP H H 1 9.042 0.003 . 1 . . . . . 42 ASP H . 27435 1 429 . 1 1 45 45 ASP HA H 1 4.869 0.010 . 1 . . . . . 42 ASP HA . 27435 1 430 . 1 1 45 45 ASP HB2 H 1 2.815 0.002 . 2 . . . . . 42 ASP HB2 . 27435 1 431 . 1 1 45 45 ASP HB3 H 1 2.936 0.022 . 2 . . . . . 42 ASP HB3 . 27435 1 432 . 1 1 45 45 ASP C C 13 176.254 0.000 . 1 . . . . . 42 ASP C . 27435 1 433 . 1 1 45 45 ASP CA C 13 53.850 0.000 . 1 . . . . . 42 ASP CA . 27435 1 434 . 1 1 45 45 ASP CB C 13 41.315 0.000 . 1 . . . . . 42 ASP CB . 27435 1 435 . 1 1 45 45 ASP N N 15 119.877 0.000 . 1 . . . . . 42 ASP N . 27435 1 436 . 1 1 46 46 GLY H H 1 8.186 0.003 . 1 . . . . . 43 GLY H . 27435 1 437 . 1 1 46 46 GLY HA2 H 1 4.475 0.000 . 2 . . . . . 43 GLY HA2 . 27435 1 438 . 1 1 46 46 GLY HA3 H 1 3.816 0.048 . 2 . . . . . 43 GLY HA3 . 27435 1 439 . 1 1 46 46 GLY C C 13 173.620 0.000 . 1 . . . . . 43 GLY C . 27435 1 440 . 1 1 46 46 GLY CA C 13 44.124 0.000 . 1 . . . . . 43 GLY CA . 27435 1 441 . 1 1 46 46 GLY N N 15 108.706 0.016 . 1 . . . . . 43 GLY N . 27435 1 442 . 1 1 47 47 PRO HA H 1 4.572 0.000 . 1 . . . . . 44 PRO HA . 27435 1 443 . 1 1 47 47 PRO HB2 H 1 1.741 0.000 . 2 . . . . . 44 PRO HB2 . 27435 1 444 . 1 1 47 47 PRO HB3 H 1 1.675 0.000 . 2 . . . . . 44 PRO HB3 . 27435 1 445 . 1 1 47 47 PRO HG2 H 1 1.326 0.000 . 2 . . . . . 44 PRO HG2 . 27435 1 446 . 1 1 47 47 PRO HG3 H 1 1.260 0.000 . 2 . . . . . 44 PRO HG3 . 27435 1 447 . 1 1 47 47 PRO HD2 H 1 3.078 0.000 . 1 . . . . . 44 PRO HD2 . 27435 1 448 . 1 1 47 47 PRO C C 13 174.874 0.000 . 1 . . . . . 44 PRO C . 27435 1 449 . 1 1 47 47 PRO CA C 13 62.641 0.000 . 1 . . . . . 44 PRO CA . 27435 1 450 . 1 1 47 47 PRO CB C 13 28.970 0.000 . 1 . . . . . 44 PRO CB . 27435 1 451 . 1 1 47 47 PRO CG C 13 24.451 0.000 . 1 . . . . . 44 PRO CG . 27435 1 452 . 1 1 48 48 TYR H H 1 7.459 0.002 . 1 . . . . . 45 TYR H . 27435 1 453 . 1 1 48 48 TYR HA H 1 4.561 0.031 . 1 . . . . . 45 TYR HA . 27435 1 454 . 1 1 48 48 TYR HB2 H 1 2.378 0.000 . 2 . . . . . 45 TYR HB2 . 27435 1 455 . 1 1 48 48 TYR HB3 H 1 2.296 0.000 . 2 . . . . . 45 TYR HB3 . 27435 1 456 . 1 1 48 48 TYR HD1 H 1 7.077 0.015 . 1 . . . . . 45 TYR HD1 . 27435 1 457 . 1 1 48 48 TYR HD2 H 1 7.077 0.015 . 1 . . . . . 45 TYR HD2 . 27435 1 458 . 1 1 48 48 TYR HE1 H 1 6.858 0.035 . 1 . . . . . 45 TYR HE1 . 27435 1 459 . 1 1 48 48 TYR HE2 H 1 6.858 0.035 . 1 . . . . . 45 TYR HE2 . 27435 1 460 . 1 1 48 48 TYR C C 13 175.674 0.000 . 1 . . . . . 45 TYR C . 27435 1 461 . 1 1 48 48 TYR CA C 13 56.657 0.000 . 1 . . . . . 45 TYR CA . 27435 1 462 . 1 1 48 48 TYR CB C 13 40.421 0.000 . 1 . . . . . 45 TYR CB . 27435 1 463 . 1 1 48 48 TYR N N 15 120.290 0.000 . 1 . . . . . 45 TYR N . 27435 1 464 . 1 1 49 49 ALA H H 1 8.509 0.000 . 1 . . . . . 46 ALA H . 27435 1 465 . 1 1 49 49 ALA HA H 1 4.346 0.020 . 1 . . . . . 46 ALA HA . 27435 1 466 . 1 1 49 49 ALA HB1 H 1 1.546 0.011 . 1 . . . . . 46 ALA HB1 . 27435 1 467 . 1 1 49 49 ALA HB2 H 1 1.546 0.011 . 1 . . . . . 46 ALA HB2 . 27435 1 468 . 1 1 49 49 ALA HB3 H 1 1.546 0.011 . 1 . . . . . 46 ALA HB3 . 27435 1 469 . 1 1 49 49 ALA C C 13 177.075 0.000 . 1 . . . . . 46 ALA C . 27435 1 470 . 1 1 49 49 ALA CA C 13 51.532 0.000 . 1 . . . . . 46 ALA CA . 27435 1 471 . 1 1 49 49 ALA CB C 13 18.934 0.000 . 1 . . . . . 46 ALA CB . 27435 1 472 . 1 1 49 49 ALA N N 15 127.230 0.000 . 1 . . . . . 46 ALA N . 27435 1 473 . 1 1 50 50 ASP H H 1 8.374 0.005 . 1 . . . . . 47 ASP H . 27435 1 474 . 1 1 50 50 ASP HA H 1 4.701 0.036 . 1 . . . . . 47 ASP HA . 27435 1 475 . 1 1 50 50 ASP HB2 H 1 2.579 0.000 . 1 . . . . . 47 ASP HB2 . 27435 1 476 . 1 1 50 50 ASP HB3 H 1 2.579 0.000 . 1 . . . . . 47 ASP HB3 . 27435 1 477 . 1 1 50 50 ASP C C 13 176.070 0.000 . 1 . . . . . 47 ASP C . 27435 1 478 . 1 1 50 50 ASP CA C 13 53.801 0.000 . 1 . . . . . 47 ASP CA . 27435 1 479 . 1 1 50 50 ASP CB C 13 39.517 0.000 . 1 . . . . . 47 ASP CB . 27435 1 480 . 1 1 50 50 ASP N N 15 117.612 0.000 . 1 . . . . . 47 ASP N . 27435 1 481 . 1 1 51 51 GLN H H 1 8.730 0.003 . 1 . . . . . 48 GLN H . 27435 1 482 . 1 1 51 51 GLN HA H 1 4.934 0.026 . 1 . . . . . 48 GLN HA . 27435 1 483 . 1 1 51 51 GLN HB2 H 1 2.162 0.026 . 1 . . . . . 48 GLN HB2 . 27435 1 484 . 1 1 51 51 GLN HG2 H 1 2.557 0.038 . 1 . . . . . 48 GLN HG2 . 27435 1 485 . 1 1 51 51 GLN HE21 H 1 6.971 0.002 . 1 . . . . . 48 GLN HE21 . 27435 1 486 . 1 1 51 51 GLN HE22 H 1 6.880 0.002 . 1 . . . . . 48 GLN HE22 . 27435 1 487 . 1 1 51 51 GLN C C 13 174.198 0.000 . 1 . . . . . 48 GLN C . 27435 1 488 . 1 1 51 51 GLN CA C 13 56.331 0.000 . 1 . . . . . 48 GLN CA . 27435 1 489 . 1 1 51 51 GLN CB C 13 31.979 0.000 . 1 . . . . . 48 GLN CB . 27435 1 490 . 1 1 51 51 GLN CG C 13 33.364 0.000 . 1 . . . . . 48 GLN CG . 27435 1 491 . 1 1 51 51 GLN N N 15 120.374 0.105 . 1 . . . . . 48 GLN N . 27435 1 492 . 1 1 51 51 GLN NE2 N 15 114.104 0.062 . 1 . . . . . 48 GLN NE2 . 27435 1 493 . 1 1 52 52 TYR H H 1 8.069 0.003 . 1 . . . . . 49 TYR H . 27435 1 494 . 1 1 52 52 TYR HA H 1 4.406 0.069 . 1 . . . . . 49 TYR HA . 27435 1 495 . 1 1 52 52 TYR HB2 H 1 1.704 0.000 . 2 . . . . . 49 TYR HB2 . 27435 1 496 . 1 1 52 52 TYR HB3 H 1 1.652 0.000 . 2 . . . . . 49 TYR HB3 . 27435 1 497 . 1 1 52 52 TYR C C 13 177.838 0.000 . 1 . . . . . 49 TYR C . 27435 1 498 . 1 1 52 52 TYR CA C 13 55.030 0.000 . 1 . . . . . 49 TYR CA . 27435 1 499 . 1 1 52 52 TYR CB C 13 41.328 0.000 . 1 . . . . . 49 TYR CB . 27435 1 500 . 1 1 52 52 TYR N N 15 121.463 0.000 . 1 . . . . . 49 TYR N . 27435 1 501 . 1 1 53 53 MET H H 1 8.167 0.003 . 1 . . . . . 50 MET H . 27435 1 502 . 1 1 53 53 MET HA H 1 4.287 0.024 . 1 . . . . . 50 MET HA . 27435 1 503 . 1 1 53 53 MET C C 13 172.844 0.000 . 1 . . . . . 50 MET C . 27435 1 504 . 1 1 53 53 MET CA C 13 58.154 0.000 . 1 . . . . . 50 MET CA . 27435 1 505 . 1 1 53 53 MET CB C 13 29.618 0.000 . 1 . . . . . 50 MET CB . 27435 1 506 . 1 1 53 53 MET N N 15 115.880 0.000 . 1 . . . . . 50 MET N . 27435 1 507 . 1 1 54 54 SER H H 1 8.554 0.003 . 1 . . . . . 51 SER H . 27435 1 508 . 1 1 54 54 SER HA H 1 4.424 0.001 . 1 . . . . . 51 SER HA . 27435 1 509 . 1 1 54 54 SER HB2 H 1 4.091 0.030 . 2 . . . . . 51 SER HB2 . 27435 1 510 . 1 1 54 54 SER HB3 H 1 3.906 0.018 . 2 . . . . . 51 SER HB3 . 27435 1 511 . 1 1 54 54 SER C C 13 173.517 0.000 . 1 . . . . . 51 SER C . 27435 1 512 . 1 1 54 54 SER CA C 13 56.986 0.000 . 1 . . . . . 51 SER CA . 27435 1 513 . 1 1 54 54 SER CB C 13 64.202 0.000 . 1 . . . . . 51 SER CB . 27435 1 514 . 1 1 54 54 SER N N 15 117.637 0.000 . 1 . . . . . 51 SER N . 27435 1 515 . 1 1 55 55 ALA H H 1 8.957 0.002 . 1 . . . . . 52 ALA H . 27435 1 516 . 1 1 55 55 ALA HA H 1 4.570 0.000 . 1 . . . . . 52 ALA HA . 27435 1 517 . 1 1 55 55 ALA HB1 H 1 1.369 0.005 . 1 . . . . . 52 ALA HB1 . 27435 1 518 . 1 1 55 55 ALA HB2 H 1 1.369 0.005 . 1 . . . . . 52 ALA HB2 . 27435 1 519 . 1 1 55 55 ALA HB3 H 1 1.369 0.005 . 1 . . . . . 52 ALA HB3 . 27435 1 520 . 1 1 55 55 ALA C C 13 170.941 0.000 . 1 . . . . . 52 ALA C . 27435 1 521 . 1 1 55 55 ALA CA C 13 54.858 0.000 . 1 . . . . . 52 ALA CA . 27435 1 522 . 1 1 55 55 ALA CB C 13 17.097 0.000 . 1 . . . . . 52 ALA CB . 27435 1 523 . 1 1 55 55 ALA N N 15 122.080 0.000 . 1 . . . . . 52 ALA N . 27435 1 524 . 1 1 56 56 GLN H H 1 8.258 0.006 . 1 . . . . . 53 GLN H . 27435 1 525 . 1 1 56 56 GLN HA H 1 4.107 0.049 . 1 . . . . . 53 GLN HA . 27435 1 526 . 1 1 56 56 GLN HB2 H 1 2.148 0.000 . 2 . . . . . 53 GLN HB2 . 27435 1 527 . 1 1 56 56 GLN HB3 H 1 2.029 0.060 . 2 . . . . . 53 GLN HB3 . 27435 1 528 . 1 1 56 56 GLN HG2 H 1 2.382 0.026 . 1 . . . . . 53 GLN HG2 . 27435 1 529 . 1 1 56 56 GLN HE21 H 1 7.396 0.001 . 1 . . . . . 53 GLN HE21 . 27435 1 530 . 1 1 56 56 GLN HE22 H 1 6.820 0.003 . 1 . . . . . 53 GLN HE22 . 27435 1 531 . 1 1 56 56 GLN C C 13 177.638 0.000 . 1 . . . . . 53 GLN C . 27435 1 532 . 1 1 56 56 GLN CA C 13 58.600 0.000 . 1 . . . . . 53 GLN CA . 27435 1 533 . 1 1 56 56 GLN CB C 13 27.396 0.000 . 1 . . . . . 53 GLN CB . 27435 1 534 . 1 1 56 56 GLN CG C 13 33.564 0.000 . 1 . . . . . 53 GLN CG . 27435 1 535 . 1 1 56 56 GLN N N 15 116.693 0.000 . 1 . . . . . 53 GLN N . 27435 1 536 . 1 1 56 56 GLN NE2 N 15 111.577 0.030 . 1 . . . . . 53 GLN NE2 . 27435 1 537 . 1 1 57 57 THR H H 1 7.640 0.005 . 1 . . . . . 54 THR H . 27435 1 538 . 1 1 57 57 THR HA H 1 3.639 0.023 . 1 . . . . . 54 THR HA . 27435 1 539 . 1 1 57 57 THR HB H 1 4.101 0.004 . 1 . . . . . 54 THR HB . 27435 1 540 . 1 1 57 57 THR HG21 H 1 0.863 0.000 . 1 . . . . . 54 THR HG21 . 27435 1 541 . 1 1 57 57 THR HG22 H 1 0.863 0.000 . 1 . . . . . 54 THR HG22 . 27435 1 542 . 1 1 57 57 THR HG23 H 1 0.863 0.000 . 1 . . . . . 54 THR HG23 . 27435 1 543 . 1 1 57 57 THR C C 13 176.145 0.000 . 1 . . . . . 54 THR C . 27435 1 544 . 1 1 57 57 THR CA C 13 66.048 0.000 . 1 . . . . . 54 THR CA . 27435 1 545 . 1 1 57 57 THR CB C 13 67.502 0.000 . 1 . . . . . 54 THR CB . 27435 1 546 . 1 1 57 57 THR N N 15 118.870 0.000 . 1 . . . . . 54 THR N . 27435 1 547 . 1 1 58 58 VAL H H 1 8.403 0.005 . 1 . . . . . 55 VAL H . 27435 1 548 . 1 1 58 58 VAL HA H 1 3.144 0.000 . 1 . . . . . 55 VAL HA . 27435 1 549 . 1 1 58 58 VAL HB H 1 2.101 0.004 . 1 . . . . . 55 VAL HB . 27435 1 550 . 1 1 58 58 VAL HG11 H 1 0.862 0.025 . 2 . . . . . 55 VAL HG11 . 27435 1 551 . 1 1 58 58 VAL HG12 H 1 0.862 0.025 . 2 . . . . . 55 VAL HG12 . 27435 1 552 . 1 1 58 58 VAL HG13 H 1 0.862 0.025 . 2 . . . . . 55 VAL HG13 . 27435 1 553 . 1 1 58 58 VAL HG21 H 1 0.135 0.089 . 2 . . . . . 55 VAL HG21 . 27435 1 554 . 1 1 58 58 VAL HG22 H 1 0.135 0.089 . 2 . . . . . 55 VAL HG22 . 27435 1 555 . 1 1 58 58 VAL HG23 H 1 0.135 0.089 . 2 . . . . . 55 VAL HG23 . 27435 1 556 . 1 1 58 58 VAL C C 13 178.466 0.000 . 1 . . . . . 55 VAL C . 27435 1 557 . 1 1 58 58 VAL CA C 13 66.770 0.000 . 1 . . . . . 55 VAL CA . 27435 1 558 . 1 1 58 58 VAL CB C 13 31.114 0.000 . 1 . . . . . 55 VAL CB . 27435 1 559 . 1 1 58 58 VAL CG1 C 13 18.375 0.000 . 2 . . . . . 55 VAL CG1 . 27435 1 560 . 1 1 58 58 VAL CG2 C 13 21.609 0.000 . 2 . . . . . 55 VAL CG2 . 27435 1 561 . 1 1 58 58 VAL N N 15 121.160 0.000 . 1 . . . . . 55 VAL N . 27435 1 562 . 1 1 59 59 ALA H H 1 7.725 0.003 . 1 . . . . . 56 ALA H . 27435 1 563 . 1 1 59 59 ALA HA H 1 4.079 0.032 . 1 . . . . . 56 ALA HA . 27435 1 564 . 1 1 59 59 ALA HB1 H 1 1.440 0.000 . 1 . . . . . 56 ALA HB1 . 27435 1 565 . 1 1 59 59 ALA HB2 H 1 1.440 0.000 . 1 . . . . . 56 ALA HB2 . 27435 1 566 . 1 1 59 59 ALA HB3 H 1 1.440 0.000 . 1 . . . . . 56 ALA HB3 . 27435 1 567 . 1 1 59 59 ALA C C 13 179.384 0.000 . 1 . . . . . 56 ALA C . 27435 1 568 . 1 1 59 59 ALA CA C 13 54.390 0.000 . 1 . . . . . 56 ALA CA . 27435 1 569 . 1 1 59 59 ALA CB C 13 17.588 0.000 . 1 . . . . . 56 ALA CB . 27435 1 570 . 1 1 59 59 ALA N N 15 120.520 0.000 . 1 . . . . . 56 ALA N . 27435 1 571 . 1 1 60 60 VAL H H 1 7.618 0.007 . 1 . . . . . 57 VAL H . 27435 1 572 . 1 1 60 60 VAL HA H 1 3.802 0.000 . 1 . . . . . 57 VAL HA . 27435 1 573 . 1 1 60 60 VAL HB H 1 1.842 0.000 . 1 . . . . . 57 VAL HB . 27435 1 574 . 1 1 60 60 VAL HG11 H 1 0.956 0.039 . 2 . . . . . 57 VAL HG11 . 27435 1 575 . 1 1 60 60 VAL HG12 H 1 0.956 0.039 . 2 . . . . . 57 VAL HG12 . 27435 1 576 . 1 1 60 60 VAL HG13 H 1 0.956 0.039 . 2 . . . . . 57 VAL HG13 . 27435 1 577 . 1 1 60 60 VAL HG21 H 1 0.655 0.018 . 2 . . . . . 57 VAL HG21 . 27435 1 578 . 1 1 60 60 VAL HG22 H 1 0.655 0.018 . 2 . . . . . 57 VAL HG22 . 27435 1 579 . 1 1 60 60 VAL HG23 H 1 0.655 0.018 . 2 . . . . . 57 VAL HG23 . 27435 1 580 . 1 1 60 60 VAL C C 13 178.307 0.000 . 1 . . . . . 57 VAL C . 27435 1 581 . 1 1 60 60 VAL CA C 13 64.303 0.000 . 1 . . . . . 57 VAL CA . 27435 1 582 . 1 1 60 60 VAL CB C 13 31.599 0.000 . 1 . . . . . 57 VAL CB . 27435 1 583 . 1 1 60 60 VAL CG1 C 13 20.459 0.000 . 2 . . . . . 57 VAL CG1 . 27435 1 584 . 1 1 60 60 VAL CG2 C 13 22.091 0.000 . 2 . . . . . 57 VAL CG2 . 27435 1 585 . 1 1 60 60 VAL N N 15 115.140 0.000 . 1 . . . . . 57 VAL N . 27435 1 586 . 1 1 61 61 PHE H H 1 8.224 0.007 . 1 . . . . . 58 PHE H . 27435 1 587 . 1 1 61 61 PHE HA H 1 4.570 0.006 . 1 . . . . . 58 PHE HA . 27435 1 588 . 1 1 61 61 PHE HB2 H 1 2.745 0.031 . 2 . . . . . 58 PHE HB2 . 27435 1 589 . 1 1 61 61 PHE HB3 H 1 3.446 0.000 . 2 . . . . . 58 PHE HB3 . 27435 1 590 . 1 1 61 61 PHE C C 13 175.351 0.000 . 1 . . . . . 58 PHE C . 27435 1 591 . 1 1 61 61 PHE CA C 13 57.639 0.000 . 1 . . . . . 58 PHE CA . 27435 1 592 . 1 1 61 61 PHE CB C 13 38.560 0.000 . 1 . . . . . 58 PHE CB . 27435 1 593 . 1 1 61 61 PHE N N 15 116.750 0.000 . 1 . . . . . 58 PHE N . 27435 1 594 . 1 1 62 62 LYS H H 1 8.174 0.005 . 1 . . . . . 59 LYS H . 27435 1 595 . 1 1 62 62 LYS HA H 1 3.911 0.000 . 1 . . . . . 59 LYS HA . 27435 1 596 . 1 1 62 62 LYS HB2 H 1 1.940 0.000 . 2 . . . . . 59 LYS HB2 . 27435 1 597 . 1 1 62 62 LYS HB3 H 1 2.125 0.000 . 2 . . . . . 59 LYS HB3 . 27435 1 598 . 1 1 62 62 LYS HG2 H 1 1.294 0.000 . 2 . . . . . 59 LYS HG2 . 27435 1 599 . 1 1 62 62 LYS HG3 H 1 1.674 0.000 . 2 . . . . . 59 LYS HG3 . 27435 1 600 . 1 1 62 62 LYS C C 13 173.360 0.000 . 1 . . . . . 59 LYS C . 27435 1 601 . 1 1 62 62 LYS CA C 13 55.843 0.000 . 1 . . . . . 59 LYS CA . 27435 1 602 . 1 1 62 62 LYS CB C 13 29.305 0.000 . 1 . . . . . 59 LYS CB . 27435 1 603 . 1 1 62 62 LYS N N 15 112.283 0.000 . 1 . . . . . 59 LYS N . 27435 1 604 . 1 1 63 63 PRO C C 13 175.203 0.000 . 1 . . . . . 60 PRO C . 27435 1 605 . 1 1 63 63 PRO CA C 13 62.236 0.000 . 1 . . . . . 60 PRO CA . 27435 1 606 . 1 1 63 63 PRO CB C 13 31.581 0.000 . 1 . . . . . 60 PRO CB . 27435 1 607 . 1 1 64 64 GLU H H 1 7.270 0.001 . 1 . . . . . 61 GLU H . 27435 1 608 . 1 1 64 64 GLU HA H 1 4.550 0.017 . 1 . . . . . 61 GLU HA . 27435 1 609 . 1 1 64 64 GLU HB2 H 1 1.820 0.036 . 1 . . . . . 61 GLU HB2 . 27435 1 610 . 1 1 64 64 GLU HG2 H 1 2.386 0.065 . 1 . . . . . 61 GLU HG2 . 27435 1 611 . 1 1 64 64 GLU C C 13 175.705 0.000 . 1 . . . . . 61 GLU C . 27435 1 612 . 1 1 64 64 GLU CA C 13 52.951 0.000 . 1 . . . . . 61 GLU CA . 27435 1 613 . 1 1 64 64 GLU CB C 13 32.493 0.000 . 1 . . . . . 61 GLU CB . 27435 1 614 . 1 1 64 64 GLU N N 15 115.053 0.000 . 1 . . . . . 61 GLU N . 27435 1 615 . 1 1 65 65 VAL H H 1 8.461 0.007 . 1 . . . . . 62 VAL H . 27435 1 616 . 1 1 65 65 VAL HA H 1 3.170 0.018 . 1 . . . . . 62 VAL HA . 27435 1 617 . 1 1 65 65 VAL HB H 1 2.072 0.003 . 1 . . . . . 62 VAL HB . 27435 1 618 . 1 1 65 65 VAL HG11 H 1 0.898 0.012 . 1 . . . . . 62 VAL HG11 . 27435 1 619 . 1 1 65 65 VAL HG12 H 1 0.898 0.012 . 1 . . . . . 62 VAL HG12 . 27435 1 620 . 1 1 65 65 VAL HG13 H 1 0.898 0.012 . 1 . . . . . 62 VAL HG13 . 27435 1 621 . 1 1 65 65 VAL C C 13 177.488 0.000 . 1 . . . . . 62 VAL C . 27435 1 622 . 1 1 65 65 VAL CA C 13 65.183 0.000 . 1 . . . . . 62 VAL CA . 27435 1 623 . 1 1 65 65 VAL CB C 13 30.781 0.000 . 1 . . . . . 62 VAL CB . 27435 1 624 . 1 1 65 65 VAL N N 15 120.930 0.000 . 1 . . . . . 62 VAL N . 27435 1 625 . 1 1 66 66 GLY H H 1 8.925 0.006 . 1 . . . . . 63 GLY H . 27435 1 626 . 1 1 66 66 GLY HA2 H 1 3.422 0.008 . 2 . . . . . 63 GLY HA2 . 27435 1 627 . 1 1 66 66 GLY HA3 H 1 4.349 0.013 . 2 . . . . . 63 GLY HA3 . 27435 1 628 . 1 1 66 66 GLY C C 13 174.393 0.000 . 1 . . . . . 63 GLY C . 27435 1 629 . 1 1 66 66 GLY CA C 13 44.559 0.000 . 1 . . . . . 63 GLY CA . 27435 1 630 . 1 1 66 66 GLY N N 15 117.505 0.013 . 1 . . . . . 63 GLY N . 27435 1 631 . 1 1 67 67 GLY H H 1 7.899 0.003 . 1 . . . . . 64 GLY H . 27435 1 632 . 1 1 67 67 GLY HA2 H 1 4.193 0.032 . 2 . . . . . 64 GLY HA2 . 27435 1 633 . 1 1 67 67 GLY HA3 H 1 4.262 0.021 . 2 . . . . . 64 GLY HA3 . 27435 1 634 . 1 1 67 67 GLY C C 13 170.972 0.000 . 1 . . . . . 64 GLY C . 27435 1 635 . 1 1 67 67 GLY CA C 13 44.117 0.000 . 1 . . . . . 64 GLY CA . 27435 1 636 . 1 1 67 67 GLY N N 15 103.953 0.000 . 1 . . . . . 64 GLY N . 27435 1 637 . 1 1 68 68 TYR H H 1 8.412 0.004 . 1 . . . . . 65 TYR H . 27435 1 638 . 1 1 68 68 TYR HA H 1 4.702 0.004 . 1 . . . . . 65 TYR HA . 27435 1 639 . 1 1 68 68 TYR HB2 H 1 2.552 0.000 . 2 . . . . . 65 TYR HB2 . 27435 1 640 . 1 1 68 68 TYR HB3 H 1 3.613 0.047 . 2 . . . . . 65 TYR HB3 . 27435 1 641 . 1 1 68 68 TYR HD1 H 1 6.092 0.040 . 1 . . . . . 65 TYR HD1 . 27435 1 642 . 1 1 68 68 TYR HD2 H 1 6.092 0.040 . 1 . . . . . 65 TYR HD2 . 27435 1 643 . 1 1 68 68 TYR HE1 H 1 5.836 0.054 . 1 . . . . . 65 TYR HE1 . 27435 1 644 . 1 1 68 68 TYR HE2 H 1 5.836 0.054 . 1 . . . . . 65 TYR HE2 . 27435 1 645 . 1 1 68 68 TYR C C 13 175.946 0.000 . 1 . . . . . 65 TYR C . 27435 1 646 . 1 1 68 68 TYR CA C 13 57.214 0.000 . 1 . . . . . 65 TYR CA . 27435 1 647 . 1 1 68 68 TYR CB C 13 39.033 0.000 . 1 . . . . . 65 TYR CB . 27435 1 648 . 1 1 68 68 TYR N N 15 115.282 0.127 . 1 . . . . . 65 TYR N . 27435 1 649 . 1 1 69 69 LEU H H 1 7.995 0.018 . 1 . . . . . 66 LEU H . 27435 1 650 . 1 1 69 69 LEU HA H 1 5.236 0.058 . 1 . . . . . 66 LEU HA . 27435 1 651 . 1 1 69 69 LEU HB2 H 1 1.635 0.014 . 2 . . . . . 66 LEU HB2 . 27435 1 652 . 1 1 69 69 LEU HB3 H 1 1.795 0.000 . 2 . . . . . 66 LEU HB3 . 27435 1 653 . 1 1 69 69 LEU HD11 H 1 1.088 0.066 . 2 . . . . . 66 LEU HD11 . 27435 1 654 . 1 1 69 69 LEU HD12 H 1 1.088 0.066 . 2 . . . . . 66 LEU HD12 . 27435 1 655 . 1 1 69 69 LEU HD13 H 1 1.088 0.066 . 2 . . . . . 66 LEU HD13 . 27435 1 656 . 1 1 69 69 LEU HD21 H 1 0.967 0.000 . 2 . . . . . 66 LEU HD21 . 27435 1 657 . 1 1 69 69 LEU HD22 H 1 0.967 0.000 . 2 . . . . . 66 LEU HD22 . 27435 1 658 . 1 1 69 69 LEU HD23 H 1 0.967 0.000 . 2 . . . . . 66 LEU HD23 . 27435 1 659 . 1 1 69 69 LEU C C 13 175.779 0.000 . 1 . . . . . 66 LEU C . 27435 1 660 . 1 1 69 69 LEU CA C 13 58.665 0.000 . 1 . . . . . 66 LEU CA . 27435 1 661 . 1 1 69 69 LEU CB C 13 45.032 0.000 . 1 . . . . . 66 LEU CB . 27435 1 662 . 1 1 69 69 LEU N N 15 120.333 0.169 . 1 . . . . . 66 LEU N . 27435 1 663 . 1 1 70 70 PHE H H 1 8.936 0.005 . 1 . . . . . 67 PHE H . 27435 1 664 . 1 1 70 70 PHE HA H 1 5.977 0.042 . 1 . . . . . 67 PHE HA . 27435 1 665 . 1 1 70 70 PHE HB2 H 1 2.118 0.000 . 2 . . . . . 67 PHE HB2 . 27435 1 666 . 1 1 70 70 PHE HB3 H 1 3.823 0.042 . 2 . . . . . 67 PHE HB3 . 27435 1 667 . 1 1 70 70 PHE HD1 H 1 6.596 0.021 . 1 . . . . . 67 PHE HD1 . 27435 1 668 . 1 1 70 70 PHE HD2 H 1 6.596 0.021 . 1 . . . . . 67 PHE HD2 . 27435 1 669 . 1 1 70 70 PHE C C 13 172.668 0.000 . 1 . . . . . 67 PHE C . 27435 1 670 . 1 1 70 70 PHE CA C 13 55.267 0.000 . 1 . . . . . 67 PHE CA . 27435 1 671 . 1 1 70 70 PHE CB C 13 41.986 0.000 . 1 . . . . . 67 PHE CB . 27435 1 672 . 1 1 70 70 PHE N N 15 116.140 0.000 . 1 . . . . . 67 PHE N . 27435 1 673 . 1 1 71 71 ARG H H 1 9.195 0.002 . 1 . . . . . 68 ARG H . 27435 1 674 . 1 1 71 71 ARG HA H 1 5.394 0.034 . 1 . . . . . 68 ARG HA . 27435 1 675 . 1 1 71 71 ARG HB2 H 1 2.139 0.000 . 2 . . . . . 68 ARG HB2 . 27435 1 676 . 1 1 71 71 ARG HB3 H 1 2.008 0.062 . 2 . . . . . 68 ARG HB3 . 27435 1 677 . 1 1 71 71 ARG HG2 H 1 1.769 0.000 . 2 . . . . . 68 ARG HG2 . 27435 1 678 . 1 1 71 71 ARG HG3 H 1 1.930 0.051 . 2 . . . . . 68 ARG HG3 . 27435 1 679 . 1 1 71 71 ARG HD2 H 1 3.200 0.000 . 1 . . . . . 68 ARG HD2 . 27435 1 680 . 1 1 71 71 ARG C C 13 177.715 0.000 . 1 . . . . . 68 ARG C . 27435 1 681 . 1 1 71 71 ARG CA C 13 52.895 0.000 . 1 . . . . . 68 ARG CA . 27435 1 682 . 1 1 71 71 ARG CB C 13 31.990 0.000 . 1 . . . . . 68 ARG CB . 27435 1 683 . 1 1 71 71 ARG CG C 13 30.336 0.000 . 1 . . . . . 68 ARG CG . 27435 1 684 . 1 1 71 71 ARG CD C 13 43.551 0.000 . 1 . . . . . 68 ARG CD . 27435 1 685 . 1 1 71 71 ARG N N 15 117.753 0.000 . 1 . . . . . 68 ARG N . 27435 1 686 . 1 1 72 72 SER H H 1 8.749 0.003 . 1 . . . . . 69 SER H . 27435 1 687 . 1 1 72 72 SER HA H 1 4.813 0.007 . 1 . . . . . 69 SER HA . 27435 1 688 . 1 1 72 72 SER HB2 H 1 4.061 0.082 . 2 . . . . . 69 SER HB2 . 27435 1 689 . 1 1 72 72 SER HB3 H 1 4.056 0.067 . 2 . . . . . 69 SER HB3 . 27435 1 690 . 1 1 72 72 SER C C 13 176.189 0.000 . 1 . . . . . 69 SER C . 27435 1 691 . 1 1 72 72 SER CA C 13 56.351 0.000 . 1 . . . . . 69 SER CA . 27435 1 692 . 1 1 72 72 SER CB C 13 65.497 0.000 . 1 . . . . . 69 SER CB . 27435 1 693 . 1 1 72 72 SER N N 15 118.080 0.000 . 1 . . . . . 69 SER N . 27435 1 694 . 1 1 73 73 GLN H H 1 9.487 0.002 . 1 . . . . . 70 GLN H . 27435 1 695 . 1 1 73 73 GLN HA H 1 3.996 0.017 . 1 . . . . . 70 GLN HA . 27435 1 696 . 1 1 73 73 GLN HB2 H 1 1.860 0.000 . 1 . . . . . 70 GLN HB2 . 27435 1 697 . 1 1 73 73 GLN HE21 H 1 6.407 0.000 . 1 . . . . . 70 GLN HE21 . 27435 1 698 . 1 1 73 73 GLN HE22 H 1 6.305 0.001 . 1 . . . . . 70 GLN HE22 . 27435 1 699 . 1 1 73 73 GLN C C 13 175.947 0.000 . 1 . . . . . 70 GLN C . 27435 1 700 . 1 1 73 73 GLN CA C 13 57.674 0.000 . 1 . . . . . 70 GLN CA . 27435 1 701 . 1 1 73 73 GLN CB C 13 27.568 0.000 . 1 . . . . . 70 GLN CB . 27435 1 702 . 1 1 73 73 GLN N N 15 120.271 0.029 . 1 . . . . . 70 GLN N . 27435 1 703 . 1 1 73 73 GLN NE2 N 15 112.743 0.028 . 1 . . . . . 70 GLN NE2 . 27435 1 704 . 1 1 74 74 TYR H H 1 7.599 0.008 . 1 . . . . . 71 TYR H . 27435 1 705 . 1 1 74 74 TYR HA H 1 4.704 0.020 . 1 . . . . . 71 TYR HA . 27435 1 706 . 1 1 74 74 TYR HB2 H 1 2.665 0.000 . 1 . . . . . 71 TYR HB2 . 27435 1 707 . 1 1 74 74 TYR HB3 H 1 2.665 0.000 . 1 . . . . . 71 TYR HB3 . 27435 1 708 . 1 1 74 74 TYR C C 13 176.353 0.000 . 1 . . . . . 71 TYR C . 27435 1 709 . 1 1 74 74 TYR CA C 13 56.664 0.000 . 1 . . . . . 71 TYR CA . 27435 1 710 . 1 1 74 74 TYR CB C 13 37.297 0.000 . 1 . . . . . 71 TYR CB . 27435 1 711 . 1 1 74 74 TYR N N 15 116.268 0.087 . 1 . . . . . 71 TYR N . 27435 1 712 . 1 1 75 75 GLY H H 1 7.912 0.006 . 1 . . . . . 72 GLY H . 27435 1 713 . 1 1 75 75 GLY HA2 H 1 4.036 0.000 . 2 . . . . . 72 GLY HA2 . 27435 1 714 . 1 1 75 75 GLY HA3 H 1 3.366 0.038 . 2 . . . . . 72 GLY HA3 . 27435 1 715 . 1 1 75 75 GLY C C 13 174.076 0.000 . 1 . . . . . 72 GLY C . 27435 1 716 . 1 1 75 75 GLY CA C 13 45.026 0.000 . 1 . . . . . 72 GLY CA . 27435 1 717 . 1 1 75 75 GLY N N 15 107.904 0.111 . 1 . . . . . 72 GLY N . 27435 1 718 . 1 1 76 76 GLU H H 1 7.392 0.009 . 1 . . . . . 73 GLU H . 27435 1 719 . 1 1 76 76 GLU HA H 1 4.224 0.000 . 1 . . . . . 73 GLU HA . 27435 1 720 . 1 1 76 76 GLU HB2 H 1 1.931 0.000 . 2 . . . . . 73 GLU HB2 . 27435 1 721 . 1 1 76 76 GLU HB3 H 1 1.914 0.022 . 2 . . . . . 73 GLU HB3 . 27435 1 722 . 1 1 76 76 GLU HG2 H 1 2.279 0.000 . 2 . . . . . 73 GLU HG2 . 27435 1 723 . 1 1 76 76 GLU HG3 H 1 2.407 0.000 . 2 . . . . . 73 GLU HG3 . 27435 1 724 . 1 1 76 76 GLU C C 13 174.703 0.000 . 1 . . . . . 73 GLU C . 27435 1 725 . 1 1 76 76 GLU CA C 13 55.459 0.000 . 1 . . . . . 73 GLU CA . 27435 1 726 . 1 1 76 76 GLU CB C 13 29.659 0.000 . 1 . . . . . 73 GLU CB . 27435 1 727 . 1 1 76 76 GLU CG C 13 34.193 0.000 . 1 . . . . . 73 GLU CG . 27435 1 728 . 1 1 76 76 GLU N N 15 120.750 0.000 . 1 . . . . . 73 GLU N . 27435 1 729 . 1 1 77 77 LEU H H 1 8.405 0.022 . 1 . . . . . 74 LEU H . 27435 1 730 . 1 1 77 77 LEU HA H 1 4.588 0.058 . 1 . . . . . 74 LEU HA . 27435 1 731 . 1 1 77 77 LEU HB2 H 1 1.991 0.000 . 2 . . . . . 74 LEU HB2 . 27435 1 732 . 1 1 77 77 LEU HB3 H 1 1.876 0.000 . 2 . . . . . 74 LEU HB3 . 27435 1 733 . 1 1 77 77 LEU HG H 1 1.493 0.061 . 1 . . . . . 74 LEU HG . 27435 1 734 . 1 1 77 77 LEU HD11 H 1 0.489 0.063 . 2 . . . . . 74 LEU HD11 . 27435 1 735 . 1 1 77 77 LEU HD12 H 1 0.489 0.063 . 2 . . . . . 74 LEU HD12 . 27435 1 736 . 1 1 77 77 LEU HD13 H 1 0.489 0.063 . 2 . . . . . 74 LEU HD13 . 27435 1 737 . 1 1 77 77 LEU HD21 H 1 1.176 0.029 . 2 . . . . . 74 LEU HD21 . 27435 1 738 . 1 1 77 77 LEU HD22 H 1 1.176 0.029 . 2 . . . . . 74 LEU HD22 . 27435 1 739 . 1 1 77 77 LEU HD23 H 1 1.176 0.029 . 2 . . . . . 74 LEU HD23 . 27435 1 740 . 1 1 77 77 LEU C C 13 174.396 0.000 . 1 . . . . . 74 LEU C . 27435 1 741 . 1 1 77 77 LEU CA C 13 54.396 0.000 . 1 . . . . . 74 LEU CA . 27435 1 742 . 1 1 77 77 LEU CB C 13 41.969 0.000 . 1 . . . . . 74 LEU CB . 27435 1 743 . 1 1 77 77 LEU CG C 13 28.782 0.000 . 1 . . . . . 74 LEU CG . 27435 1 744 . 1 1 77 77 LEU CD1 C 13 25.446 0.000 . 1 . . . . . 74 LEU CD1 . 27435 1 745 . 1 1 77 77 LEU N N 15 126.100 0.000 . 1 . . . . . 74 LEU N . 27435 1 746 . 1 1 78 78 LEU H H 1 9.005 0.001 . 1 . . . . . 75 LEU H . 27435 1 747 . 1 1 78 78 LEU HA H 1 4.233 0.001 . 1 . . . . . 75 LEU HA . 27435 1 748 . 1 1 78 78 LEU HB2 H 1 1.343 0.038 . 1 . . . . . 75 LEU HB2 . 27435 1 749 . 1 1 78 78 LEU HG H 1 1.388 0.001 . 1 . . . . . 75 LEU HG . 27435 1 750 . 1 1 78 78 LEU HD11 H 1 1.403 0.014 . 2 . . . . . 75 LEU HD11 . 27435 1 751 . 1 1 78 78 LEU HD12 H 1 1.403 0.014 . 2 . . . . . 75 LEU HD12 . 27435 1 752 . 1 1 78 78 LEU HD13 H 1 1.403 0.014 . 2 . . . . . 75 LEU HD13 . 27435 1 753 . 1 1 78 78 LEU HD21 H 1 0.737 0.005 . 2 . . . . . 75 LEU HD21 . 27435 1 754 . 1 1 78 78 LEU HD22 H 1 0.737 0.005 . 2 . . . . . 75 LEU HD22 . 27435 1 755 . 1 1 78 78 LEU HD23 H 1 0.737 0.005 . 2 . . . . . 75 LEU HD23 . 27435 1 756 . 1 1 78 78 LEU C C 13 173.073 0.000 . 1 . . . . . 75 LEU C . 27435 1 757 . 1 1 78 78 LEU CA C 13 53.221 0.000 . 1 . . . . . 75 LEU CA . 27435 1 758 . 1 1 78 78 LEU CB C 13 44.522 0.000 . 1 . . . . . 75 LEU CB . 27435 1 759 . 1 1 78 78 LEU CG C 13 25.179 0.000 . 1 . . . . . 75 LEU CG . 27435 1 760 . 1 1 78 78 LEU CD1 C 13 19.213 0.000 . 1 . . . . . 75 LEU CD1 . 27435 1 761 . 1 1 78 78 LEU N N 15 128.807 0.000 . 1 . . . . . 75 LEU N . 27435 1 762 . 1 1 79 79 TYR H H 1 6.076 0.048 . 1 . . . . . 76 TYR H . 27435 1 763 . 1 1 79 79 TYR HA H 1 5.493 0.036 . 1 . . . . . 76 TYR HA . 27435 1 764 . 1 1 79 79 TYR HB2 H 1 3.111 0.000 . 2 . . . . . 76 TYR HB2 . 27435 1 765 . 1 1 79 79 TYR HB3 H 1 2.800 0.011 . 2 . . . . . 76 TYR HB3 . 27435 1 766 . 1 1 79 79 TYR HD1 H 1 6.838 0.000 . 1 . . . . . 76 TYR HD1 . 27435 1 767 . 1 1 79 79 TYR HD2 H 1 6.838 0.000 . 1 . . . . . 76 TYR HD2 . 27435 1 768 . 1 1 79 79 TYR C C 13 175.025 0.000 . 1 . . . . . 76 TYR C . 27435 1 769 . 1 1 79 79 TYR CA C 13 55.337 0.000 . 1 . . . . . 76 TYR CA . 27435 1 770 . 1 1 79 79 TYR CB C 13 41.662 0.000 . 1 . . . . . 76 TYR CB . 27435 1 771 . 1 1 79 79 TYR N N 15 115.560 0.098 . 1 . . . . . 76 TYR N . 27435 1 772 . 1 1 80 80 MET H H 1 8.193 0.003 . 1 . . . . . 77 MET H . 27435 1 773 . 1 1 80 80 MET HA H 1 4.223 0.067 . 1 . . . . . 77 MET HA . 27435 1 774 . 1 1 80 80 MET HB2 H 1 2.440 0.000 . 2 . . . . . 77 MET HB2 . 27435 1 775 . 1 1 80 80 MET HB3 H 1 2.463 0.000 . 2 . . . . . 77 MET HB3 . 27435 1 776 . 1 1 80 80 MET HE1 H 1 2.099 0.020 . 1 . . . . . 77 MET HE1 . 27435 1 777 . 1 1 80 80 MET HE2 H 1 2.099 0.020 . 1 . . . . . 77 MET HE2 . 27435 1 778 . 1 1 80 80 MET HE3 H 1 2.099 0.020 . 1 . . . . . 77 MET HE3 . 27435 1 779 . 1 1 80 80 MET C C 13 172.571 0.000 . 1 . . . . . 77 MET C . 27435 1 780 . 1 1 80 80 MET CA C 13 54.889 0.000 . 1 . . . . . 77 MET CA . 27435 1 781 . 1 1 80 80 MET CB C 13 38.547 0.000 . 1 . . . . . 77 MET CB . 27435 1 782 . 1 1 80 80 MET N N 15 127.440 0.000 . 1 . . . . . 77 MET N . 27435 1 783 . 1 1 81 81 SER H H 1 8.449 0.003 . 1 . . . . . 78 SER H . 27435 1 784 . 1 1 81 81 SER HA H 1 4.469 0.000 . 1 . . . . . 78 SER HA . 27435 1 785 . 1 1 81 81 SER HB2 H 1 3.903 0.000 . 2 . . . . . 78 SER HB2 . 27435 1 786 . 1 1 81 81 SER HB3 H 1 3.854 0.000 . 2 . . . . . 78 SER HB3 . 27435 1 787 . 1 1 81 81 SER C C 13 173.168 0.000 . 1 . . . . . 78 SER C . 27435 1 788 . 1 1 81 81 SER CA C 13 57.358 0.000 . 1 . . . . . 78 SER CA . 27435 1 789 . 1 1 81 81 SER CB C 13 63.931 0.000 . 1 . . . . . 78 SER CB . 27435 1 790 . 1 1 81 81 SER N N 15 116.690 0.000 . 1 . . . . . 78 SER N . 27435 1 791 . 1 1 82 82 LYS H H 1 8.989 0.003 . 1 . . . . . 79 LYS H . 27435 1 792 . 1 1 82 82 LYS HA H 1 4.279 0.000 . 1 . . . . . 79 LYS HA . 27435 1 793 . 1 1 82 82 LYS HB2 H 1 2.037 0.065 . 2 . . . . . 79 LYS HB2 . 27435 1 794 . 1 1 82 82 LYS HB3 H 1 1.973 0.077 . 2 . . . . . 79 LYS HB3 . 27435 1 795 . 1 1 82 82 LYS HG2 H 1 1.108 0.000 . 2 . . . . . 79 LYS HG2 . 27435 1 796 . 1 1 82 82 LYS HG3 H 1 1.734 0.008 . 2 . . . . . 79 LYS HG3 . 27435 1 797 . 1 1 82 82 LYS C C 13 178.359 0.000 . 1 . . . . . 79 LYS C . 27435 1 798 . 1 1 82 82 LYS CA C 13 60.555 0.000 . 1 . . . . . 79 LYS CA . 27435 1 799 . 1 1 82 82 LYS CB C 13 32.088 0.000 . 1 . . . . . 79 LYS CB . 27435 1 800 . 1 1 82 82 LYS CG C 13 27.247 0.000 . 1 . . . . . 79 LYS CG . 27435 1 801 . 1 1 82 82 LYS N N 15 121.540 0.000 . 1 . . . . . 79 LYS N . 27435 1 802 . 1 1 83 83 THR H H 1 8.080 0.008 . 1 . . . . . 80 THR H . 27435 1 803 . 1 1 83 83 THR HA H 1 3.940 0.000 . 1 . . . . . 80 THR HA . 27435 1 804 . 1 1 83 83 THR HB H 1 4.057 0.002 . 1 . . . . . 80 THR HB . 27435 1 805 . 1 1 83 83 THR HG21 H 1 1.239 0.004 . 1 . . . . . 80 THR HG21 . 27435 1 806 . 1 1 83 83 THR HG22 H 1 1.239 0.004 . 1 . . . . . 80 THR HG22 . 27435 1 807 . 1 1 83 83 THR HG23 H 1 1.239 0.004 . 1 . . . . . 80 THR HG23 . 27435 1 808 . 1 1 83 83 THR C C 13 177.335 0.000 . 1 . . . . . 80 THR C . 27435 1 809 . 1 1 83 83 THR CA C 13 64.701 0.000 . 1 . . . . . 80 THR CA . 27435 1 810 . 1 1 83 83 THR CB C 13 68.192 0.000 . 1 . . . . . 80 THR CB . 27435 1 811 . 1 1 83 83 THR N N 15 108.410 0.000 . 1 . . . . . 80 THR N . 27435 1 812 . 1 1 84 84 ALA H H 1 7.486 0.004 . 1 . . . . . 81 ALA H . 27435 1 813 . 1 1 84 84 ALA HA H 1 4.082 0.011 . 1 . . . . . 81 ALA HA . 27435 1 814 . 1 1 84 84 ALA HB1 H 1 1.408 0.007 . 1 . . . . . 81 ALA HB1 . 27435 1 815 . 1 1 84 84 ALA HB2 H 1 1.408 0.007 . 1 . . . . . 81 ALA HB2 . 27435 1 816 . 1 1 84 84 ALA HB3 H 1 1.408 0.007 . 1 . . . . . 81 ALA HB3 . 27435 1 817 . 1 1 84 84 ALA C C 13 179.705 0.000 . 1 . . . . . 81 ALA C . 27435 1 818 . 1 1 84 84 ALA CA C 13 54.295 0.000 . 1 . . . . . 81 ALA CA . 27435 1 819 . 1 1 84 84 ALA CB C 13 17.602 0.000 . 1 . . . . . 81 ALA CB . 27435 1 820 . 1 1 84 84 ALA N N 15 124.120 0.000 . 1 . . . . . 81 ALA N . 27435 1 821 . 1 1 85 85 PHE H H 1 8.926 0.006 . 1 . . . . . 82 PHE H . 27435 1 822 . 1 1 85 85 PHE HA H 1 4.904 0.004 . 1 . . . . . 82 PHE HA . 27435 1 823 . 1 1 85 85 PHE HB2 H 1 2.478 0.006 . 2 . . . . . 82 PHE HB2 . 27435 1 824 . 1 1 85 85 PHE HB3 H 1 2.870 0.000 . 2 . . . . . 82 PHE HB3 . 27435 1 825 . 1 1 85 85 PHE C C 13 178.112 0.000 . 1 . . . . . 82 PHE C . 27435 1 826 . 1 1 85 85 PHE CA C 13 62.282 0.000 . 1 . . . . . 82 PHE CA . 27435 1 827 . 1 1 85 85 PHE N N 15 120.357 0.042 . 1 . . . . . 82 PHE N . 27435 1 828 . 1 1 86 86 GLU H H 1 8.101 0.002 . 1 . . . . . 83 GLU H . 27435 1 829 . 1 1 86 86 GLU HA H 1 3.958 0.000 . 1 . . . . . 83 GLU HA . 27435 1 830 . 1 1 86 86 GLU HB2 H 1 2.278 0.000 . 1 . . . . . 83 GLU HB2 . 27435 1 831 . 1 1 86 86 GLU HB3 H 1 2.278 0.000 . 1 . . . . . 83 GLU HB3 . 27435 1 832 . 1 1 86 86 GLU HG2 H 1 2.620 0.000 . 2 . . . . . 83 GLU HG2 . 27435 1 833 . 1 1 86 86 GLU HG3 H 1 2.472 0.002 . 2 . . . . . 83 GLU HG3 . 27435 1 834 . 1 1 86 86 GLU C C 13 177.691 0.000 . 1 . . . . . 83 GLU C . 27435 1 835 . 1 1 86 86 GLU CA C 13 57.449 0.000 . 1 . . . . . 83 GLU CA . 27435 1 836 . 1 1 86 86 GLU CB C 13 27.778 0.000 . 1 . . . . . 83 GLU CB . 27435 1 837 . 1 1 86 86 GLU CG C 13 34.568 0.000 . 1 . . . . . 83 GLU CG . 27435 1 838 . 1 1 86 86 GLU N N 15 114.163 0.000 . 1 . . . . . 83 GLU N . 27435 1 839 . 1 1 87 87 ALA H H 1 7.235 0.002 . 1 . . . . . 84 ALA H . 27435 1 840 . 1 1 87 87 ALA HA H 1 4.223 0.000 . 1 . . . . . 84 ALA HA . 27435 1 841 . 1 1 87 87 ALA HB1 H 1 1.357 0.001 . 1 . . . . . 84 ALA HB1 . 27435 1 842 . 1 1 87 87 ALA HB2 H 1 1.357 0.001 . 1 . . . . . 84 ALA HB2 . 27435 1 843 . 1 1 87 87 ALA HB3 H 1 1.357 0.001 . 1 . . . . . 84 ALA HB3 . 27435 1 844 . 1 1 87 87 ALA C C 13 178.301 0.000 . 1 . . . . . 84 ALA C . 27435 1 845 . 1 1 87 87 ALA CA C 13 52.869 0.000 . 1 . . . . . 84 ALA CA . 27435 1 846 . 1 1 87 87 ALA CB C 13 18.452 0.000 . 1 . . . . . 84 ALA CB . 27435 1 847 . 1 1 87 87 ALA N N 15 117.940 0.000 . 1 . . . . . 84 ALA N . 27435 1 848 . 1 1 88 88 ASN H H 1 7.136 0.002 . 1 . . . . . 85 ASN H . 27435 1 849 . 1 1 88 88 ASN HA H 1 4.452 0.039 . 1 . . . . . 85 ASN HA . 27435 1 850 . 1 1 88 88 ASN HB2 H 1 2.215 0.052 . 2 . . . . . 85 ASN HB2 . 27435 1 851 . 1 1 88 88 ASN HB3 H 1 1.843 0.003 . 2 . . . . . 85 ASN HB3 . 27435 1 852 . 1 1 88 88 ASN HD21 H 1 7.565 0.072 . 1 . . . . . 85 ASN HD21 . 27435 1 853 . 1 1 88 88 ASN HD22 H 1 6.836 0.009 . 1 . . . . . 85 ASN HD22 . 27435 1 854 . 1 1 88 88 ASN C C 13 173.898 0.000 . 1 . . . . . 85 ASN C . 27435 1 855 . 1 1 88 88 ASN CA C 13 54.170 0.000 . 1 . . . . . 85 ASN CA . 27435 1 856 . 1 1 88 88 ASN CB C 13 42.195 0.000 . 1 . . . . . 85 ASN CB . 27435 1 857 . 1 1 88 88 ASN N N 15 114.470 0.000 . 1 . . . . . 85 ASN N . 27435 1 858 . 1 1 88 88 ASN ND2 N 15 112.296 0.038 . 1 . . . . . 85 ASN ND2 . 27435 1 859 . 1 1 89 89 TYR H H 1 7.823 0.006 . 1 . . . . . 86 TYR H . 27435 1 860 . 1 1 89 89 TYR HA H 1 4.497 0.025 . 1 . . . . . 86 TYR HA . 27435 1 861 . 1 1 89 89 TYR HB2 H 1 3.171 0.030 . 1 . . . . . 86 TYR HB2 . 27435 1 862 . 1 1 89 89 TYR HD1 H 1 6.838 0.005 . 1 . . . . . 86 TYR HD1 . 27435 1 863 . 1 1 89 89 TYR HD2 H 1 6.838 0.005 . 1 . . . . . 86 TYR HD2 . 27435 1 864 . 1 1 89 89 TYR HE1 H 1 5.982 0.042 . 1 . . . . . 86 TYR HE1 . 27435 1 865 . 1 1 89 89 TYR HE2 H 1 5.982 0.042 . 1 . . . . . 86 TYR HE2 . 27435 1 866 . 1 1 89 89 TYR C C 13 174.861 0.000 . 1 . . . . . 86 TYR C . 27435 1 867 . 1 1 89 89 TYR CA C 13 57.214 0.000 . 1 . . . . . 86 TYR CA . 27435 1 868 . 1 1 89 89 TYR CB C 13 39.621 0.000 . 1 . . . . . 86 TYR CB . 27435 1 869 . 1 1 89 89 TYR N N 15 117.490 0.000 . 1 . . . . . 86 TYR N . 27435 1 870 . 1 1 90 90 THR H H 1 8.581 0.003 . 1 . . . . . 87 THR H . 27435 1 871 . 1 1 90 90 THR HA H 1 4.642 0.000 . 1 . . . . . 87 THR HA . 27435 1 872 . 1 1 90 90 THR HB H 1 4.483 0.000 . 1 . . . . . 87 THR HB . 27435 1 873 . 1 1 90 90 THR HG21 H 1 1.141 0.026 . 1 . . . . . 87 THR HG21 . 27435 1 874 . 1 1 90 90 THR HG22 H 1 1.141 0.026 . 1 . . . . . 87 THR HG22 . 27435 1 875 . 1 1 90 90 THR HG23 H 1 1.141 0.026 . 1 . . . . . 87 THR HG23 . 27435 1 876 . 1 1 90 90 THR C C 13 174.279 0.000 . 1 . . . . . 87 THR C . 27435 1 877 . 1 1 90 90 THR CA C 13 59.895 0.000 . 1 . . . . . 87 THR CA . 27435 1 878 . 1 1 90 90 THR CB C 13 71.165 0.000 . 1 . . . . . 87 THR CB . 27435 1 879 . 1 1 90 90 THR CG2 C 13 21.430 0.000 . 1 . . . . . 87 THR CG2 . 27435 1 880 . 1 1 90 90 THR N N 15 113.180 0.000 . 1 . . . . . 87 THR N . 27435 1 881 . 1 1 91 91 SER H H 1 8.946 0.003 . 1 . . . . . 88 SER H . 27435 1 882 . 1 1 91 91 SER HA H 1 5.007 0.039 . 1 . . . . . 88 SER HA . 27435 1 883 . 1 1 91 91 SER HB2 H 1 3.674 0.004 . 2 . . . . . 88 SER HB2 . 27435 1 884 . 1 1 91 91 SER HB3 H 1 3.812 0.000 . 2 . . . . . 88 SER HB3 . 27435 1 885 . 1 1 91 91 SER C C 13 175.006 0.000 . 1 . . . . . 88 SER C . 27435 1 886 . 1 1 91 91 SER CA C 13 59.492 0.000 . 1 . . . . . 88 SER CA . 27435 1 887 . 1 1 91 91 SER CB C 13 62.763 0.000 . 1 . . . . . 88 SER CB . 27435 1 888 . 1 1 91 91 SER N N 15 119.783 0.000 . 1 . . . . . 88 SER N . 27435 1 889 . 1 1 92 92 ALA H H 1 8.297 0.005 . 1 . . . . . 89 ALA H . 27435 1 890 . 1 1 92 92 ALA HA H 1 4.484 0.008 . 1 . . . . . 89 ALA HA . 27435 1 891 . 1 1 92 92 ALA HB1 H 1 1.257 0.000 . 1 . . . . . 89 ALA HB1 . 27435 1 892 . 1 1 92 92 ALA HB2 H 1 1.257 0.000 . 1 . . . . . 89 ALA HB2 . 27435 1 893 . 1 1 92 92 ALA HB3 H 1 1.257 0.000 . 1 . . . . . 89 ALA HB3 . 27435 1 894 . 1 1 92 92 ALA C C 13 176.868 0.000 . 1 . . . . . 89 ALA C . 27435 1 895 . 1 1 92 92 ALA CA C 13 51.450 0.000 . 1 . . . . . 89 ALA CA . 27435 1 896 . 1 1 92 92 ALA CB C 13 19.144 0.000 . 1 . . . . . 89 ALA CB . 27435 1 897 . 1 1 92 92 ALA N N 15 128.480 0.000 . 1 . . . . . 89 ALA N . 27435 1 898 . 1 1 93 93 SER H H 1 8.016 0.006 . 1 . . . . . 90 SER H . 27435 1 899 . 1 1 93 93 SER HA H 1 4.435 0.000 . 1 . . . . . 90 SER HA . 27435 1 900 . 1 1 93 93 SER HB2 H 1 3.863 0.000 . 1 . . . . . 90 SER HB2 . 27435 1 901 . 1 1 93 93 SER HB3 H 1 3.863 0.000 . 1 . . . . . 90 SER HB3 . 27435 1 902 . 1 1 93 93 SER C C 13 175.015 0.000 . 1 . . . . . 90 SER C . 27435 1 903 . 1 1 93 93 SER CA C 13 58.124 0.000 . 1 . . . . . 90 SER CA . 27435 1 904 . 1 1 93 93 SER CB C 13 63.251 0.000 . 1 . . . . . 90 SER CB . 27435 1 905 . 1 1 93 93 SER N N 15 114.160 0.000 . 1 . . . . . 90 SER N . 27435 1 906 . 1 1 94 94 GLY H H 1 8.316 0.002 . 1 . . . . . 91 GLY H . 27435 1 907 . 1 1 94 94 GLY HA2 H 1 3.974 0.008 . 1 . . . . . 91 GLY HA2 . 27435 1 908 . 1 1 94 94 GLY C C 13 174.212 0.000 . 1 . . . . . 91 GLY C . 27435 1 909 . 1 1 94 94 GLY CA C 13 45.018 0.000 . 1 . . . . . 91 GLY CA . 27435 1 910 . 1 1 94 94 GLY N N 15 110.173 0.051 . 1 . . . . . 91 GLY N . 27435 1 911 . 1 1 95 95 SER H H 1 8.149 0.000 . 1 . . . . . 92 SER H . 27435 1 912 . 1 1 95 95 SER HA H 1 4.466 0.000 . 1 . . . . . 92 SER HA . 27435 1 913 . 1 1 95 95 SER HB2 H 1 3.918 0.000 . 2 . . . . . 92 SER HB2 . 27435 1 914 . 1 1 95 95 SER HB3 H 1 3.854 0.000 . 2 . . . . . 92 SER HB3 . 27435 1 915 . 1 1 95 95 SER C C 13 174.690 0.000 . 1 . . . . . 92 SER C . 27435 1 916 . 1 1 95 95 SER CA C 13 58.130 0.000 . 1 . . . . . 92 SER CA . 27435 1 917 . 1 1 95 95 SER CB C 13 63.246 0.000 . 1 . . . . . 92 SER CB . 27435 1 918 . 1 1 95 95 SER N N 15 115.570 0.000 . 1 . . . . . 92 SER N . 27435 1 919 . 1 1 96 96 VAL H H 1 8.046 0.002 . 1 . . . . . 93 VAL H . 27435 1 920 . 1 1 96 96 VAL HA H 1 4.113 0.024 . 1 . . . . . 93 VAL HA . 27435 1 921 . 1 1 96 96 VAL HB H 1 2.049 0.000 . 1 . . . . . 93 VAL HB . 27435 1 922 . 1 1 96 96 VAL HG11 H 1 0.862 0.000 . 2 . . . . . 93 VAL HG11 . 27435 1 923 . 1 1 96 96 VAL HG12 H 1 0.862 0.000 . 2 . . . . . 93 VAL HG12 . 27435 1 924 . 1 1 96 96 VAL HG13 H 1 0.862 0.000 . 2 . . . . . 93 VAL HG13 . 27435 1 925 . 1 1 96 96 VAL HG21 H 1 0.693 0.000 . 2 . . . . . 93 VAL HG21 . 27435 1 926 . 1 1 96 96 VAL HG22 H 1 0.693 0.000 . 2 . . . . . 93 VAL HG22 . 27435 1 927 . 1 1 96 96 VAL HG23 H 1 0.693 0.000 . 2 . . . . . 93 VAL HG23 . 27435 1 928 . 1 1 96 96 VAL C C 13 176.126 0.000 . 1 . . . . . 93 VAL C . 27435 1 929 . 1 1 96 96 VAL CA C 13 61.966 0.000 . 1 . . . . . 93 VAL CA . 27435 1 930 . 1 1 96 96 VAL CB C 13 32.012 0.000 . 1 . . . . . 93 VAL CB . 27435 1 931 . 1 1 96 96 VAL CG1 C 13 21.025 0.000 . 2 . . . . . 93 VAL CG1 . 27435 1 932 . 1 1 96 96 VAL CG2 C 13 21.087 0.000 . 2 . . . . . 93 VAL CG2 . 27435 1 933 . 1 1 96 96 VAL N N 15 121.250 0.000 . 1 . . . . . 93 VAL N . 27435 1 934 . 1 1 97 97 ALA H H 1 8.224 0.001 . 1 . . . . . 94 ALA H . 27435 1 935 . 1 1 97 97 ALA HA H 1 4.232 0.000 . 1 . . . . . 94 ALA HA . 27435 1 936 . 1 1 97 97 ALA HB1 H 1 1.314 0.001 . 1 . . . . . 94 ALA HB1 . 27435 1 937 . 1 1 97 97 ALA HB2 H 1 1.314 0.001 . 1 . . . . . 94 ALA HB2 . 27435 1 938 . 1 1 97 97 ALA HB3 H 1 1.314 0.001 . 1 . . . . . 94 ALA HB3 . 27435 1 939 . 1 1 97 97 ALA C C 13 177.666 0.000 . 1 . . . . . 94 ALA C . 27435 1 940 . 1 1 97 97 ALA CA C 13 52.386 0.000 . 1 . . . . . 94 ALA CA . 27435 1 941 . 1 1 97 97 ALA CB C 13 18.497 0.000 . 1 . . . . . 94 ALA CB . 27435 1 942 . 1 1 97 97 ALA N N 15 126.510 0.000 . 1 . . . . . 94 ALA N . 27435 1 943 . 1 1 98 98 ASN H H 1 8.199 0.002 . 1 . . . . . 95 ASN H . 27435 1 944 . 1 1 98 98 ASN HA H 1 4.643 0.029 . 1 . . . . . 95 ASN HA . 27435 1 945 . 1 1 98 98 ASN HB2 H 1 2.783 0.004 . 1 . . . . . 95 ASN HB2 . 27435 1 946 . 1 1 98 98 ASN HB3 H 1 2.783 0.004 . 1 . . . . . 95 ASN HB3 . 27435 1 947 . 1 1 98 98 ASN HD21 H 1 7.556 0.039 . 1 . . . . . 95 ASN HD21 . 27435 1 948 . 1 1 98 98 ASN HD22 H 1 6.857 0.047 . 1 . . . . . 95 ASN HD22 . 27435 1 949 . 1 1 98 98 ASN C C 13 175.178 0.000 . 1 . . . . . 95 ASN C . 27435 1 950 . 1 1 98 98 ASN CA C 13 52.979 0.000 . 1 . . . . . 95 ASN CA . 27435 1 951 . 1 1 98 98 ASN CB C 13 38.518 0.000 . 1 . . . . . 95 ASN CB . 27435 1 952 . 1 1 98 98 ASN N N 15 117.400 0.000 . 1 . . . . . 95 ASN N . 27435 1 953 . 1 1 98 98 ASN ND2 N 15 111.418 0.176 . 1 . . . . . 95 ASN ND2 . 27435 1 954 . 1 1 99 99 ALA H H 1 8.164 0.001 . 1 . . . . . 96 ALA H . 27435 1 955 . 1 1 99 99 ALA HA H 1 4.228 0.000 . 1 . . . . . 96 ALA HA . 27435 1 956 . 1 1 99 99 ALA HB1 H 1 1.360 0.000 . 1 . . . . . 96 ALA HB1 . 27435 1 957 . 1 1 99 99 ALA HB2 H 1 1.360 0.000 . 1 . . . . . 96 ALA HB2 . 27435 1 958 . 1 1 99 99 ALA HB3 H 1 1.360 0.000 . 1 . . . . . 96 ALA HB3 . 27435 1 959 . 1 1 99 99 ALA C C 13 178.005 0.000 . 1 . . . . . 96 ALA C . 27435 1 960 . 1 1 99 99 ALA CA C 13 52.603 0.000 . 1 . . . . . 96 ALA CA . 27435 1 961 . 1 1 99 99 ALA CB C 13 18.493 0.000 . 1 . . . . . 96 ALA CB . 27435 1 962 . 1 1 99 99 ALA N N 15 123.800 0.000 . 1 . . . . . 96 ALA N . 27435 1 963 . 1 1 100 100 GLU H H 1 8.271 0.001 . 1 . . . . . 97 GLU H . 27435 1 964 . 1 1 100 100 GLU HA H 1 4.390 0.000 . 1 . . . . . 97 GLU HA . 27435 1 965 . 1 1 100 100 GLU HB2 H 1 2.003 0.000 . 2 . . . . . 97 GLU HB2 . 27435 1 966 . 1 1 100 100 GLU HB3 H 1 1.904 0.000 . 2 . . . . . 97 GLU HB3 . 27435 1 967 . 1 1 100 100 GLU HG2 H 1 2.394 0.012 . 2 . . . . . 97 GLU HG2 . 27435 1 968 . 1 1 100 100 GLU HG3 H 1 2.407 0.020 . 2 . . . . . 97 GLU HG3 . 27435 1 969 . 1 1 100 100 GLU C C 13 176.758 0.000 . 1 . . . . . 97 GLU C . 27435 1 970 . 1 1 100 100 GLU CA C 13 56.060 0.000 . 1 . . . . . 97 GLU CA . 27435 1 971 . 1 1 100 100 GLU CB C 13 28.467 0.000 . 1 . . . . . 97 GLU CB . 27435 1 972 . 1 1 100 100 GLU CG C 13 33.773 0.000 . 1 . . . . . 97 GLU CG . 27435 1 973 . 1 1 100 100 GLU N N 15 118.560 0.000 . 1 . . . . . 97 GLU N . 27435 1 974 . 1 1 101 101 THR H H 1 7.939 0.001 . 1 . . . . . 98 THR H . 27435 1 975 . 1 1 101 101 THR HA H 1 4.258 0.000 . 1 . . . . . 98 THR HA . 27435 1 976 . 1 1 101 101 THR HB H 1 3.548 0.000 . 1 . . . . . 98 THR HB . 27435 1 977 . 1 1 101 101 THR HG21 H 1 0.915 0.000 . 1 . . . . . 98 THR HG21 . 27435 1 978 . 1 1 101 101 THR HG22 H 1 0.915 0.000 . 1 . . . . . 98 THR HG22 . 27435 1 979 . 1 1 101 101 THR HG23 H 1 0.915 0.000 . 1 . . . . . 98 THR HG23 . 27435 1 980 . 1 1 101 101 THR C C 13 174.750 0.000 . 1 . . . . . 98 THR C . 27435 1 981 . 1 1 101 101 THR CA C 13 61.636 0.000 . 1 . . . . . 98 THR CA . 27435 1 982 . 1 1 101 101 THR CB C 13 69.313 0.000 . 1 . . . . . 98 THR CB . 27435 1 983 . 1 1 101 101 THR CG2 C 13 21.139 0.000 . 1 . . . . . 98 THR CG2 . 27435 1 984 . 1 1 101 101 THR N N 15 113.940 0.000 . 1 . . . . . 98 THR N . 27435 1 985 . 1 1 102 102 ALA H H 1 8.179 0.001 . 1 . . . . . 99 ALA H . 27435 1 986 . 1 1 102 102 ALA HA H 1 4.246 0.011 . 1 . . . . . 99 ALA HA . 27435 1 987 . 1 1 102 102 ALA HB1 H 1 1.369 0.000 . 1 . . . . . 99 ALA HB1 . 27435 1 988 . 1 1 102 102 ALA HB2 H 1 1.369 0.000 . 1 . . . . . 99 ALA HB2 . 27435 1 989 . 1 1 102 102 ALA HB3 H 1 1.369 0.000 . 1 . . . . . 99 ALA HB3 . 27435 1 990 . 1 1 102 102 ALA C C 13 177.836 0.000 . 1 . . . . . 99 ALA C . 27435 1 991 . 1 1 102 102 ALA CA C 13 52.795 0.000 . 1 . . . . . 99 ALA CA . 27435 1 992 . 1 1 102 102 ALA CB C 13 18.494 0.000 . 1 . . . . . 99 ALA CB . 27435 1 993 . 1 1 102 102 ALA N N 15 125.200 0.000 . 1 . . . . . 99 ALA N . 27435 1 994 . 1 1 103 103 ASP H H 1 8.228 0.000 . 1 . . . . . 100 ASP H . 27435 1 995 . 1 1 103 103 ASP HA H 1 4.543 0.000 . 1 . . . . . 100 ASP HA . 27435 1 996 . 1 1 103 103 ASP HB2 H 1 2.727 0.003 . 1 . . . . . 100 ASP HB2 . 27435 1 997 . 1 1 103 103 ASP HB3 H 1 2.727 0.003 . 1 . . . . . 100 ASP HB3 . 27435 1 998 . 1 1 103 103 ASP C C 13 176.133 0.000 . 1 . . . . . 100 ASP C . 27435 1 999 . 1 1 103 103 ASP CA C 13 53.909 0.000 . 1 . . . . . 100 ASP CA . 27435 1 1000 . 1 1 103 103 ASP CB C 13 39.214 0.000 . 1 . . . . . 100 ASP CB . 27435 1 1001 . 1 1 103 103 ASP N N 15 117.960 0.000 . 1 . . . . . 100 ASP N . 27435 1 1002 . 1 1 104 104 LYS H H 1 8.065 0.003 . 1 . . . . . 101 LYS H . 27435 1 1003 . 1 1 104 104 LYS HA H 1 4.247 0.000 . 1 . . . . . 101 LYS HA . 27435 1 1004 . 1 1 104 104 LYS HB2 H 1 1.762 0.014 . 2 . . . . . 101 LYS HB2 . 27435 1 1005 . 1 1 104 104 LYS HB3 H 1 1.804 0.028 . 2 . . . . . 101 LYS HB3 . 27435 1 1006 . 1 1 104 104 LYS HG2 H 1 1.455 0.039 . 1 . . . . . 101 LYS HG2 . 27435 1 1007 . 1 1 104 104 LYS HD2 H 1 1.675 0.000 . 1 . . . . . 101 LYS HD2 . 27435 1 1008 . 1 1 104 104 LYS HE2 H 1 3.001 0.000 . 1 . . . . . 101 LYS HE2 . 27435 1 1009 . 1 1 104 104 LYS C C 13 176.223 0.000 . 1 . . . . . 101 LYS C . 27435 1 1010 . 1 1 104 104 LYS CA C 13 56.284 0.000 . 1 . . . . . 101 LYS CA . 27435 1 1011 . 1 1 104 104 LYS CB C 13 31.941 0.000 . 1 . . . . . 101 LYS CB . 27435 1 1012 . 1 1 104 104 LYS CG C 13 24.984 0.000 . 1 . . . . . 101 LYS CG . 27435 1 1013 . 1 1 104 104 LYS CD C 13 28.856 0.000 . 1 . . . . . 101 LYS CD . 27435 1 1014 . 1 1 104 104 LYS CE C 13 41.973 0.000 . 1 . . . . . 101 LYS CE . 27435 1 1015 . 1 1 104 104 LYS N N 15 120.779 0.002 . 1 . . . . . 101 LYS N . 27435 1 1016 . 1 1 105 105 LEU H H 1 8.165 0.000 . 1 . . . . . 102 LEU H . 27435 1 1017 . 1 1 105 105 LEU HA H 1 4.262 0.000 . 1 . . . . . 102 LEU HA . 27435 1 1018 . 1 1 105 105 LEU C C 13 177.796 0.000 . 1 . . . . . 102 LEU C . 27435 1 1019 . 1 1 105 105 LEU CA C 13 55.014 0.000 . 1 . . . . . 102 LEU CA . 27435 1 1020 . 1 1 105 105 LEU CB C 13 41.350 0.000 . 1 . . . . . 102 LEU CB . 27435 1 1021 . 1 1 105 105 LEU N N 15 115.526 0.000 . 1 . . . . . 102 LEU N . 27435 1 1022 . 1 1 106 106 SER H H 1 8.015 0.002 . 1 . . . . . 103 SER H . 27435 1 1023 . 1 1 106 106 SER HA H 1 4.455 0.026 . 1 . . . . . 103 SER HA . 27435 1 1024 . 1 1 106 106 SER HB2 H 1 3.878 0.029 . 1 . . . . . 103 SER HB2 . 27435 1 1025 . 1 1 106 106 SER HB3 H 1 3.878 0.029 . 1 . . . . . 103 SER HB3 . 27435 1 1026 . 1 1 106 106 SER C C 13 175.190 0.000 . 1 . . . . . 103 SER C . 27435 1 1027 . 1 1 106 106 SER CA C 13 58.477 0.000 . 1 . . . . . 103 SER CA . 27435 1 1028 . 1 1 106 106 SER CB C 13 63.024 0.000 . 1 . . . . . 103 SER CB . 27435 1 1029 . 1 1 106 106 SER N N 15 114.180 0.000 . 1 . . . . . 103 SER N . 27435 1 1030 . 1 1 107 107 THR H H 1 8.010 0.005 . 1 . . . . . 104 THR H . 27435 1 1031 . 1 1 107 107 THR HA H 1 4.269 0.011 . 1 . . . . . 104 THR HA . 27435 1 1032 . 1 1 107 107 THR HB H 1 4.134 0.000 . 1 . . . . . 104 THR HB . 27435 1 1033 . 1 1 107 107 THR HG21 H 1 1.237 0.020 . 1 . . . . . 104 THR HG21 . 27435 1 1034 . 1 1 107 107 THR HG22 H 1 1.237 0.020 . 1 . . . . . 104 THR HG22 . 27435 1 1035 . 1 1 107 107 THR HG23 H 1 1.237 0.020 . 1 . . . . . 104 THR HG23 . 27435 1 1036 . 1 1 107 107 THR C C 13 174.543 0.000 . 1 . . . . . 104 THR C . 27435 1 1037 . 1 1 107 107 THR CA C 13 61.458 0.000 . 1 . . . . . 104 THR CA . 27435 1 1038 . 1 1 107 107 THR CB C 13 69.306 0.000 . 1 . . . . . 104 THR CB . 27435 1 1039 . 1 1 107 107 THR CG2 C 13 21.204 0.000 . 1 . . . . . 104 THR CG2 . 27435 1 1040 . 1 1 107 107 THR N N 15 115.003 0.000 . 1 . . . . . 104 THR N . 27435 1 1041 . 1 1 108 108 ALA H H 1 8.092 0.000 . 1 . . . . . 105 ALA H . 27435 1 1042 . 1 1 108 108 ALA HA H 1 4.286 0.005 . 1 . . . . . 105 ALA HA . 27435 1 1043 . 1 1 108 108 ALA HB1 H 1 1.346 0.000 . 1 . . . . . 105 ALA HB1 . 27435 1 1044 . 1 1 108 108 ALA HB2 H 1 1.346 0.000 . 1 . . . . . 105 ALA HB2 . 27435 1 1045 . 1 1 108 108 ALA HB3 H 1 1.346 0.000 . 1 . . . . . 105 ALA HB3 . 27435 1 1046 . 1 1 108 108 ALA C C 13 177.792 0.000 . 1 . . . . . 105 ALA C . 27435 1 1047 . 1 1 108 108 ALA CA C 13 52.511 0.000 . 1 . . . . . 105 ALA CA . 27435 1 1048 . 1 1 108 108 ALA CB C 13 18.608 0.000 . 1 . . . . . 105 ALA CB . 27435 1 1049 . 1 1 108 108 ALA N N 15 125.590 0.000 . 1 . . . . . 105 ALA N . 27435 1 1050 . 1 1 109 109 ARG H H 1 8.158 0.005 . 1 . . . . . 106 ARG H . 27435 1 1051 . 1 1 109 109 ARG HA H 1 4.348 0.000 . 1 . . . . . 106 ARG HA . 27435 1 1052 . 1 1 109 109 ARG HB2 H 1 1.791 0.000 . 2 . . . . . 106 ARG HB2 . 27435 1 1053 . 1 1 109 109 ARG HB3 H 1 1.839 0.000 . 2 . . . . . 106 ARG HB3 . 27435 1 1054 . 1 1 109 109 ARG HG2 H 1 1.668 0.000 . 2 . . . . . 106 ARG HG2 . 27435 1 1055 . 1 1 109 109 ARG HG3 H 1 1.612 0.025 . 2 . . . . . 106 ARG HG3 . 27435 1 1056 . 1 1 109 109 ARG HD2 H 1 3.208 0.000 . 1 . . . . . 106 ARG HD2 . 27435 1 1057 . 1 1 109 109 ARG HD3 H 1 3.208 0.000 . 1 . . . . . 106 ARG HD3 . 27435 1 1058 . 1 1 109 109 ARG C C 13 176.543 0.000 . 1 . . . . . 106 ARG C . 27435 1 1059 . 1 1 109 109 ARG CA C 13 55.789 0.000 . 1 . . . . . 106 ARG CA . 27435 1 1060 . 1 1 109 109 ARG CB C 13 30.148 0.000 . 1 . . . . . 106 ARG CB . 27435 1 1061 . 1 1 109 109 ARG CG C 13 27.133 0.000 . 1 . . . . . 106 ARG CG . 27435 1 1062 . 1 1 109 109 ARG CD C 13 43.315 0.000 . 1 . . . . . 106 ARG CD . 27435 1 1063 . 1 1 109 109 ARG N N 15 119.730 0.000 . 1 . . . . . 106 ARG N . 27435 1 1064 . 1 1 110 110 THR H H 1 8.090 0.001 . 1 . . . . . 107 THR H . 27435 1 1065 . 1 1 110 110 THR HA H 1 4.282 0.000 . 1 . . . . . 107 THR HA . 27435 1 1066 . 1 1 110 110 THR HB H 1 4.134 0.000 . 1 . . . . . 107 THR HB . 27435 1 1067 . 1 1 110 110 THR HG21 H 1 0.919 0.000 . 1 . . . . . 107 THR HG21 . 27435 1 1068 . 1 1 110 110 THR HG22 H 1 0.919 0.000 . 1 . . . . . 107 THR HG22 . 27435 1 1069 . 1 1 110 110 THR HG23 H 1 0.919 0.000 . 1 . . . . . 107 THR HG23 . 27435 1 1070 . 1 1 110 110 THR C C 13 174.538 0.000 . 1 . . . . . 107 THR C . 27435 1 1071 . 1 1 110 110 THR CA C 13 61.832 0.000 . 1 . . . . . 107 THR CA . 27435 1 1072 . 1 1 110 110 THR CB C 13 69.307 0.000 . 1 . . . . . 107 THR CB . 27435 1 1073 . 1 1 110 110 THR CG2 C 13 20.506 0.000 . 1 . . . . . 107 THR CG2 . 27435 1 1074 . 1 1 110 110 THR N N 15 115.660 0.000 . 1 . . . . . 107 THR N . 27435 1 1075 . 1 1 111 111 ILE H H 1 8.145 0.000 . 1 . . . . . 108 ILE H . 27435 1 1076 . 1 1 111 111 ILE HA H 1 4.200 0.029 . 1 . . . . . 108 ILE HA . 27435 1 1077 . 1 1 111 111 ILE HB H 1 1.836 0.000 . 1 . . . . . 108 ILE HB . 27435 1 1078 . 1 1 111 111 ILE HG12 H 1 0.918 0.000 . 1 . . . . . 108 ILE HG12 . 27435 1 1079 . 1 1 111 111 ILE HD11 H 1 0.794 0.000 . 1 . . . . . 108 ILE HD11 . 27435 1 1080 . 1 1 111 111 ILE HD12 H 1 0.794 0.000 . 1 . . . . . 108 ILE HD12 . 27435 1 1081 . 1 1 111 111 ILE HD13 H 1 0.794 0.000 . 1 . . . . . 108 ILE HD13 . 27435 1 1082 . 1 1 111 111 ILE C C 13 176.255 0.000 . 1 . . . . . 108 ILE C . 27435 1 1083 . 1 1 111 111 ILE CA C 13 60.914 0.000 . 1 . . . . . 108 ILE CA . 27435 1 1084 . 1 1 111 111 ILE CB C 13 38.067 0.000 . 1 . . . . . 108 ILE CB . 27435 1 1085 . 1 1 111 111 ILE CG1 C 13 28.321 0.000 . 1 . . . . . 108 ILE CG1 . 27435 1 1086 . 1 1 111 111 ILE CG2 C 13 18.510 0.000 . 1 . . . . . 108 ILE CG2 . 27435 1 1087 . 1 1 111 111 ILE CD1 C 13 13.742 0.000 . 1 . . . . . 108 ILE CD1 . 27435 1 1088 . 1 1 111 111 ILE N N 15 123.300 0.000 . 1 . . . . . 108 ILE N . 27435 1 1089 . 1 1 112 112 THR H H 1 8.168 0.000 . 1 . . . . . 109 THR H . 27435 1 1090 . 1 1 112 112 THR HA H 1 4.319 0.000 . 1 . . . . . 109 THR HA . 27435 1 1091 . 1 1 112 112 THR HB H 1 4.075 0.037 . 1 . . . . . 109 THR HB . 27435 1 1092 . 1 1 112 112 THR HG21 H 1 1.260 0.000 . 1 . . . . . 109 THR HG21 . 27435 1 1093 . 1 1 112 112 THR HG22 H 1 1.260 0.000 . 1 . . . . . 109 THR HG22 . 27435 1 1094 . 1 1 112 112 THR HG23 H 1 1.260 0.000 . 1 . . . . . 109 THR HG23 . 27435 1 1095 . 1 1 112 112 THR C C 13 174.530 0.000 . 1 . . . . . 109 THR C . 27435 1 1096 . 1 1 112 112 THR CA C 13 61.290 0.000 . 1 . . . . . 109 THR CA . 27435 1 1097 . 1 1 112 112 THR CB C 13 69.350 0.000 . 1 . . . . . 109 THR CB . 27435 1 1098 . 1 1 112 112 THR N N 15 118.660 0.000 . 1 . . . . . 109 THR N . 27435 1 1099 . 1 1 113 113 LEU H H 1 8.311 0.006 . 1 . . . . . 110 LEU H . 27435 1 1100 . 1 1 113 113 LEU HA H 1 4.425 0.000 . 1 . . . . . 110 LEU HA . 27435 1 1101 . 1 1 113 113 LEU HB2 H 1 1.682 0.000 . 2 . . . . . 110 LEU HB2 . 27435 1 1102 . 1 1 113 113 LEU HB3 H 1 1.624 0.012 . 2 . . . . . 110 LEU HB3 . 27435 1 1103 . 1 1 113 113 LEU HG H 1 1.638 0.001 . 1 . . . . . 110 LEU HG . 27435 1 1104 . 1 1 113 113 LEU HD11 H 1 0.919 0.000 . 2 . . . . . 110 LEU HD11 . 27435 1 1105 . 1 1 113 113 LEU HD12 H 1 0.919 0.000 . 2 . . . . . 110 LEU HD12 . 27435 1 1106 . 1 1 113 113 LEU HD13 H 1 0.919 0.000 . 2 . . . . . 110 LEU HD13 . 27435 1 1107 . 1 1 113 113 LEU HD21 H 1 0.859 0.000 . 2 . . . . . 110 LEU HD21 . 27435 1 1108 . 1 1 113 113 LEU HD22 H 1 0.859 0.000 . 2 . . . . . 110 LEU HD22 . 27435 1 1109 . 1 1 113 113 LEU HD23 H 1 0.859 0.000 . 2 . . . . . 110 LEU HD23 . 27435 1 1110 . 1 1 113 113 LEU C C 13 177.522 0.000 . 1 . . . . . 110 LEU C . 27435 1 1111 . 1 1 113 113 LEU CA C 13 54.850 0.000 . 1 . . . . . 110 LEU CA . 27435 1 1112 . 1 1 113 113 LEU CB C 13 42.418 0.000 . 1 . . . . . 110 LEU CB . 27435 1 1113 . 1 1 113 113 LEU CG C 13 27.217 0.000 . 1 . . . . . 110 LEU CG . 27435 1 1114 . 1 1 113 113 LEU CD1 C 13 25.105 0.000 . 2 . . . . . 110 LEU CD1 . 27435 1 1115 . 1 1 113 113 LEU CD2 C 13 23.339 0.000 . 2 . . . . . 110 LEU CD2 . 27435 1 1116 . 1 1 113 113 LEU N N 15 124.702 0.231 . 1 . . . . . 110 LEU N . 27435 1 1117 . 1 1 114 114 THR H H 1 8.024 0.000 . 1 . . . . . 111 THR H . 27435 1 1118 . 1 1 114 114 THR HA H 1 4.323 0.000 . 1 . . . . . 111 THR HA . 27435 1 1119 . 1 1 114 114 THR HB H 1 4.235 0.000 . 1 . . . . . 111 THR HB . 27435 1 1120 . 1 1 114 114 THR HG21 H 1 1.196 0.000 . 1 . . . . . 111 THR HG21 . 27435 1 1121 . 1 1 114 114 THR HG22 H 1 1.196 0.000 . 1 . . . . . 111 THR HG22 . 27435 1 1122 . 1 1 114 114 THR HG23 H 1 1.196 0.000 . 1 . . . . . 111 THR HG23 . 27435 1 1123 . 1 1 114 114 THR C C 13 175.163 0.000 . 1 . . . . . 111 THR C . 27435 1 1124 . 1 1 114 114 THR CA C 13 61.472 0.000 . 1 . . . . . 111 THR CA . 27435 1 1125 . 1 1 114 114 THR CB C 13 69.340 0.000 . 1 . . . . . 111 THR CB . 27435 1 1126 . 1 1 114 114 THR CG2 C 13 21.212 0.000 . 1 . . . . . 111 THR CG2 . 27435 1 1127 . 1 1 114 114 THR N N 15 113.800 0.000 . 1 . . . . . 111 THR N . 27435 1 1128 . 1 1 115 115 GLY H H 1 8.272 0.001 . 1 . . . . . 112 GLY H . 27435 1 1129 . 1 1 115 115 GLY HA2 H 1 3.928 0.008 . 2 . . . . . 112 GLY HA2 . 27435 1 1130 . 1 1 115 115 GLY HA3 H 1 3.936 0.000 . 2 . . . . . 112 GLY HA3 . 27435 1 1131 . 1 1 115 115 GLY C C 13 173.777 0.000 . 1 . . . . . 112 GLY C . 27435 1 1132 . 1 1 115 115 GLY CA C 13 45.026 0.000 . 1 . . . . . 112 GLY CA . 27435 1 1133 . 1 1 115 115 GLY N N 15 110.800 0.000 . 1 . . . . . 112 GLY N . 27435 1 1134 . 1 1 116 116 ALA H H 1 8.025 0.010 . 1 . . . . . 113 ALA H . 27435 1 1135 . 1 1 116 116 ALA HA H 1 4.362 0.028 . 1 . . . . . 113 ALA HA . 27435 1 1136 . 1 1 116 116 ALA HB1 H 1 1.348 0.000 . 1 . . . . . 113 ALA HB1 . 27435 1 1137 . 1 1 116 116 ALA HB2 H 1 1.348 0.000 . 1 . . . . . 113 ALA HB2 . 27435 1 1138 . 1 1 116 116 ALA HB3 H 1 1.348 0.000 . 1 . . . . . 113 ALA HB3 . 27435 1 1139 . 1 1 116 116 ALA C C 13 177.886 0.000 . 1 . . . . . 113 ALA C . 27435 1 1140 . 1 1 116 116 ALA CA C 13 52.082 0.000 . 1 . . . . . 113 ALA CA . 27435 1 1141 . 1 1 116 116 ALA CB C 13 18.784 0.000 . 1 . . . . . 113 ALA CB . 27435 1 1142 . 1 1 116 116 ALA N N 15 123.188 0.107 . 1 . . . . . 113 ALA N . 27435 1 1143 . 1 1 117 117 VAL H H 1 8.108 0.000 . 1 . . . . . 114 VAL H . 27435 1 1144 . 1 1 117 117 VAL HA H 1 4.231 0.000 . 1 . . . . . 114 VAL HA . 27435 1 1145 . 1 1 117 117 VAL HB H 1 2.120 0.000 . 1 . . . . . 114 VAL HB . 27435 1 1146 . 1 1 117 117 VAL HG11 H 1 0.962 0.000 . 2 . . . . . 114 VAL HG11 . 27435 1 1147 . 1 1 117 117 VAL HG12 H 1 0.962 0.000 . 2 . . . . . 114 VAL HG12 . 27435 1 1148 . 1 1 117 117 VAL HG13 H 1 0.962 0.000 . 2 . . . . . 114 VAL HG13 . 27435 1 1149 . 1 1 117 117 VAL HG21 H 1 0.932 0.000 . 2 . . . . . 114 VAL HG21 . 27435 1 1150 . 1 1 117 117 VAL HG22 H 1 0.932 0.000 . 2 . . . . . 114 VAL HG22 . 27435 1 1151 . 1 1 117 117 VAL HG23 H 1 0.932 0.000 . 2 . . . . . 114 VAL HG23 . 27435 1 1152 . 1 1 117 117 VAL C C 13 176.581 0.000 . 1 . . . . . 114 VAL C . 27435 1 1153 . 1 1 117 117 VAL CA C 13 61.860 0.000 . 1 . . . . . 114 VAL CA . 27435 1 1154 . 1 1 117 117 VAL CB C 13 32.003 0.000 . 1 . . . . . 114 VAL CB . 27435 1 1155 . 1 1 117 117 VAL CG1 C 13 21.139 0.000 . 2 . . . . . 114 VAL CG1 . 27435 1 1156 . 1 1 117 117 VAL CG2 C 13 21.247 0.000 . 2 . . . . . 114 VAL CG2 . 27435 1 1157 . 1 1 117 117 VAL N N 15 118.930 0.000 . 1 . . . . . 114 VAL N . 27435 1 1158 . 1 1 118 118 THR H H 1 8.135 0.000 . 1 . . . . . 115 THR H . 27435 1 1159 . 1 1 118 118 THR HA H 1 4.330 0.000 . 1 . . . . . 115 THR HA . 27435 1 1160 . 1 1 118 118 THR HB H 1 4.235 0.000 . 1 . . . . . 115 THR HB . 27435 1 1161 . 1 1 118 118 THR HG21 H 1 1.196 0.000 . 1 . . . . . 115 THR HG21 . 27435 1 1162 . 1 1 118 118 THR HG22 H 1 1.196 0.000 . 1 . . . . . 115 THR HG22 . 27435 1 1163 . 1 1 118 118 THR HG23 H 1 1.196 0.000 . 1 . . . . . 115 THR HG23 . 27435 1 1164 . 1 1 118 118 THR C C 13 175.175 0.000 . 1 . . . . . 115 THR C . 27435 1 1165 . 1 1 118 118 THR CA C 13 61.438 0.000 . 1 . . . . . 115 THR CA . 27435 1 1166 . 1 1 118 118 THR CB C 13 69.516 0.000 . 1 . . . . . 115 THR CB . 27435 1 1167 . 1 1 118 118 THR CG2 C 13 21.368 0.000 . 1 . . . . . 115 THR CG2 . 27435 1 1168 . 1 1 118 118 THR N N 15 117.056 0.000 . 1 . . . . . 115 THR N . 27435 1 1169 . 1 1 119 119 GLY H H 1 8.321 0.002 . 1 . . . . . 116 GLY H . 27435 1 1170 . 1 1 119 119 GLY HA2 H 1 3.996 0.000 . 1 . . . . . 116 GLY HA2 . 27435 1 1171 . 1 1 119 119 GLY HA3 H 1 3.996 0.000 . 1 . . . . . 116 GLY HA3 . 27435 1 1172 . 1 1 119 119 GLY C C 13 173.923 0.000 . 1 . . . . . 116 GLY C . 27435 1 1173 . 1 1 119 119 GLY CA C 13 43.158 0.000 . 1 . . . . . 116 GLY CA . 27435 1 1174 . 1 1 119 119 GLY N N 15 110.883 0.066 . 1 . . . . . 116 GLY N . 27435 1 1175 . 1 1 120 120 SER H H 1 8.560 0.001 . 1 . . . . . 117 SER H . 27435 1 1176 . 1 1 120 120 SER HA H 1 4.674 0.000 . 1 . . . . . 117 SER HA . 27435 1 1177 . 1 1 120 120 SER HB2 H 1 4.480 0.000 . 2 . . . . . 117 SER HB2 . 27435 1 1178 . 1 1 120 120 SER HB3 H 1 3.860 0.000 . 2 . . . . . 117 SER HB3 . 27435 1 1179 . 1 1 120 120 SER C C 13 174.375 0.000 . 1 . . . . . 117 SER C . 27435 1 1180 . 1 1 120 120 SER CA C 13 57.776 0.000 . 1 . . . . . 117 SER CA . 27435 1 1181 . 1 1 120 120 SER CB C 13 63.333 0.000 . 1 . . . . . 117 SER CB . 27435 1 1182 . 1 1 120 120 SER N N 15 115.027 0.000 . 1 . . . . . 117 SER N . 27435 1 1183 . 1 1 121 121 ALA H H 1 8.309 0.000 . 1 . . . . . 118 ALA H . 27435 1 1184 . 1 1 121 121 ALA HA H 1 4.316 0.000 . 1 . . . . . 118 ALA HA . 27435 1 1185 . 1 1 121 121 ALA HB1 H 1 1.321 0.000 . 1 . . . . . 118 ALA HB1 . 27435 1 1186 . 1 1 121 121 ALA HB2 H 1 1.321 0.000 . 1 . . . . . 118 ALA HB2 . 27435 1 1187 . 1 1 121 121 ALA HB3 H 1 1.321 0.000 . 1 . . . . . 118 ALA HB3 . 27435 1 1188 . 1 1 121 121 ALA C C 13 177.675 0.000 . 1 . . . . . 118 ALA C . 27435 1 1189 . 1 1 121 121 ALA CA C 13 52.392 0.000 . 1 . . . . . 118 ALA CA . 27435 1 1190 . 1 1 121 121 ALA CB C 13 18.499 0.000 . 1 . . . . . 118 ALA CB . 27435 1 1191 . 1 1 121 121 ALA N N 15 125.640 0.000 . 1 . . . . . 118 ALA N . 27435 1 1192 . 1 1 122 122 SER H H 1 8.079 0.001 . 1 . . . . . 119 SER H . 27435 1 1193 . 1 1 122 122 SER HA H 1 4.376 0.000 . 1 . . . . . 119 SER HA . 27435 1 1194 . 1 1 122 122 SER HB2 H 1 3.701 0.000 . 1 . . . . . 119 SER HB2 . 27435 1 1195 . 1 1 122 122 SER HB3 H 1 3.701 0.000 . 1 . . . . . 119 SER HB3 . 27435 1 1196 . 1 1 122 122 SER C C 13 174.377 0.000 . 1 . . . . . 119 SER C . 27435 1 1197 . 1 1 122 122 SER CA C 13 57.886 0.000 . 1 . . . . . 119 SER CA . 27435 1 1198 . 1 1 122 122 SER CB C 13 63.250 0.000 . 1 . . . . . 119 SER CB . 27435 1 1199 . 1 1 122 122 SER N N 15 113.963 0.000 . 1 . . . . . 119 SER N . 27435 1 1200 . 1 1 123 123 PHE H H 1 8.135 0.001 . 1 . . . . . 120 PHE H . 27435 1 1201 . 1 1 123 123 PHE HA H 1 4.673 0.000 . 1 . . . . . 120 PHE HA . 27435 1 1202 . 1 1 123 123 PHE HB2 H 1 3.113 0.000 . 2 . . . . . 120 PHE HB2 . 27435 1 1203 . 1 1 123 123 PHE HB3 H 1 3.118 0.000 . 2 . . . . . 120 PHE HB3 . 27435 1 1204 . 1 1 123 123 PHE HD1 H 1 7.268 0.003 . 1 . . . . . 120 PHE HD1 . 27435 1 1205 . 1 1 123 123 PHE HD2 H 1 7.268 0.003 . 1 . . . . . 120 PHE HD2 . 27435 1 1206 . 1 1 123 123 PHE C C 13 175.624 0.000 . 1 . . . . . 120 PHE C . 27435 1 1207 . 1 1 123 123 PHE CA C 13 57.430 0.000 . 1 . . . . . 120 PHE CA . 27435 1 1208 . 1 1 123 123 PHE CB C 13 39.006 0.000 . 1 . . . . . 120 PHE CB . 27435 1 1209 . 1 1 123 123 PHE N N 15 121.687 0.113 . 1 . . . . . 120 PHE N . 27435 1 1210 . 1 1 124 124 ASP H H 1 8.242 0.000 . 1 . . . . . 121 ASP H . 27435 1 1211 . 1 1 124 124 ASP HA H 1 4.618 0.000 . 1 . . . . . 121 ASP HA . 27435 1 1212 . 1 1 124 124 ASP HB2 H 1 2.741 0.000 . 2 . . . . . 121 ASP HB2 . 27435 1 1213 . 1 1 124 124 ASP HB3 H 1 2.764 0.000 . 2 . . . . . 121 ASP HB3 . 27435 1 1214 . 1 1 124 124 ASP C C 13 176.113 0.000 . 1 . . . . . 121 ASP C . 27435 1 1215 . 1 1 124 124 ASP CA C 13 53.220 0.000 . 1 . . . . . 121 ASP CA . 27435 1 1216 . 1 1 124 124 ASP CB C 13 39.460 0.000 . 1 . . . . . 121 ASP CB . 27435 1 1217 . 1 1 124 124 ASP N N 15 121.563 0.000 . 1 . . . . . 121 ASP N . 27435 1 1218 . 1 1 125 125 GLY H H 1 7.880 0.001 . 1 . . . . . 122 GLY H . 27435 1 1219 . 1 1 125 125 GLY HA2 H 1 3.891 0.000 . 1 . . . . . 122 GLY HA2 . 27435 1 1220 . 1 1 125 125 GLY HA3 H 1 3.891 0.000 . 1 . . . . . 122 GLY HA3 . 27435 1 1221 . 1 1 125 125 GLY C C 13 174.551 0.000 . 1 . . . . . 122 GLY C . 27435 1 1222 . 1 1 125 125 GLY CA C 13 45.487 0.000 . 1 . . . . . 122 GLY CA . 27435 1 1223 . 1 1 125 125 GLY N N 15 108.933 0.000 . 1 . . . . . 122 GLY N . 27435 1 1224 . 1 1 126 126 SER H H 1 8.109 0.000 . 1 . . . . . 123 SER H . 27435 1 1225 . 1 1 126 126 SER HA H 1 4.389 0.000 . 1 . . . . . 123 SER HA . 27435 1 1226 . 1 1 126 126 SER HB2 H 1 3.860 0.000 . 2 . . . . . 123 SER HB2 . 27435 1 1227 . 1 1 126 126 SER HB3 H 1 3.925 0.000 . 2 . . . . . 123 SER HB3 . 27435 1 1228 . 1 1 126 126 SER C C 13 174.421 0.000 . 1 . . . . . 123 SER C . 27435 1 1229 . 1 1 126 126 SER CA C 13 58.161 0.000 . 1 . . . . . 123 SER CA . 27435 1 1230 . 1 1 126 126 SER CB C 13 63.249 0.000 . 1 . . . . . 123 SER CB . 27435 1 1231 . 1 1 126 126 SER N N 15 115.698 0.000 . 1 . . . . . 123 SER N . 27435 1 1232 . 1 1 127 127 ALA H H 1 8.177 0.000 . 1 . . . . . 124 ALA H . 27435 1 1233 . 1 1 127 127 ALA HA H 1 4.326 0.000 . 1 . . . . . 124 ALA HA . 27435 1 1234 . 1 1 127 127 ALA HB1 H 1 1.351 0.007 . 1 . . . . . 124 ALA HB1 . 27435 1 1235 . 1 1 127 127 ALA HB2 H 1 1.351 0.007 . 1 . . . . . 124 ALA HB2 . 27435 1 1236 . 1 1 127 127 ALA HB3 H 1 1.351 0.007 . 1 . . . . . 124 ALA HB3 . 27435 1 1237 . 1 1 127 127 ALA C C 13 177.379 0.000 . 1 . . . . . 124 ALA C . 27435 1 1238 . 1 1 127 127 ALA CA C 13 52.277 0.000 . 1 . . . . . 124 ALA CA . 27435 1 1239 . 1 1 127 127 ALA CB C 13 18.553 0.000 . 1 . . . . . 124 ALA CB . 27435 1 1240 . 1 1 127 127 ALA N N 15 124.890 0.000 . 1 . . . . . 124 ALA N . 27435 1 1241 . 1 1 128 128 ASN H H 1 8.230 0.008 . 1 . . . . . 125 ASN H . 27435 1 1242 . 1 1 128 128 ASN HA H 1 4.724 0.000 . 1 . . . . . 125 ASN HA . 27435 1 1243 . 1 1 128 128 ASN HB2 H 1 2.784 0.000 . 2 . . . . . 125 ASN HB2 . 27435 1 1244 . 1 1 128 128 ASN HB3 H 1 2.694 0.020 . 2 . . . . . 125 ASN HB3 . 27435 1 1245 . 1 1 128 128 ASN HD21 H 1 7.300 0.010 . 1 . . . . . 125 ASN HD21 . 27435 1 1246 . 1 1 128 128 ASN HD22 H 1 6.906 0.000 . 1 . . . . . 125 ASN HD22 . 27435 1 1247 . 1 1 128 128 ASN C C 13 175.136 0.000 . 1 . . . . . 125 ASN C . 27435 1 1248 . 1 1 128 128 ASN CA C 13 52.996 0.000 . 1 . . . . . 125 ASN CA . 27435 1 1249 . 1 1 128 128 ASN CB C 13 38.526 0.000 . 1 . . . . . 125 ASN CB . 27435 1 1250 . 1 1 128 128 ASN N N 15 117.490 0.000 . 1 . . . . . 125 ASN N . 27435 1 1251 . 1 1 128 128 ASN ND2 N 15 111.877 0.057 . 1 . . . . . 125 ASN ND2 . 27435 1 1252 . 1 1 129 129 VAL H H 1 7.962 0.000 . 1 . . . . . 126 VAL H . 27435 1 1253 . 1 1 129 129 VAL HA H 1 4.240 0.000 . 1 . . . . . 126 VAL HA . 27435 1 1254 . 1 1 129 129 VAL HB H 1 2.125 0.000 . 1 . . . . . 126 VAL HB . 27435 1 1255 . 1 1 129 129 VAL HG11 H 1 0.943 0.000 . 2 . . . . . 126 VAL HG11 . 27435 1 1256 . 1 1 129 129 VAL HG12 H 1 0.943 0.000 . 2 . . . . . 126 VAL HG12 . 27435 1 1257 . 1 1 129 129 VAL HG13 H 1 0.943 0.000 . 2 . . . . . 126 VAL HG13 . 27435 1 1258 . 1 1 129 129 VAL HG21 H 1 0.871 0.006 . 2 . . . . . 126 VAL HG21 . 27435 1 1259 . 1 1 129 129 VAL HG22 H 1 0.871 0.006 . 2 . . . . . 126 VAL HG22 . 27435 1 1260 . 1 1 129 129 VAL HG23 H 1 0.871 0.006 . 2 . . . . . 126 VAL HG23 . 27435 1 1261 . 1 1 129 129 VAL C C 13 176.267 0.000 . 1 . . . . . 126 VAL C . 27435 1 1262 . 1 1 129 129 VAL CA C 13 61.803 0.000 . 1 . . . . . 126 VAL CA . 27435 1 1263 . 1 1 129 129 VAL CB C 13 32.060 0.000 . 1 . . . . . 126 VAL CB . 27435 1 1264 . 1 1 129 129 VAL CG1 C 13 25.064 0.000 . 2 . . . . . 126 VAL CG1 . 27435 1 1265 . 1 1 129 129 VAL CG2 C 13 21.895 0.000 . 2 . . . . . 126 VAL CG2 . 27435 1 1266 . 1 1 129 129 VAL N N 15 119.807 0.000 . 1 . . . . . 126 VAL N . 27435 1 1267 . 1 1 130 130 THR H H 1 8.249 0.006 . 1 . . . . . 127 THR H . 27435 1 1268 . 1 1 130 130 THR HA H 1 4.350 0.024 . 1 . . . . . 127 THR HA . 27435 1 1269 . 1 1 130 130 THR HB H 1 4.159 0.000 . 1 . . . . . 127 THR HB . 27435 1 1270 . 1 1 130 130 THR HG21 H 1 1.196 0.003 . 1 . . . . . 127 THR HG21 . 27435 1 1271 . 1 1 130 130 THR HG22 H 1 1.196 0.003 . 1 . . . . . 127 THR HG22 . 27435 1 1272 . 1 1 130 130 THR HG23 H 1 1.196 0.003 . 1 . . . . . 127 THR HG23 . 27435 1 1273 . 1 1 130 130 THR C C 13 174.403 0.000 . 1 . . . . . 127 THR C . 27435 1 1274 . 1 1 130 130 THR CA C 13 61.577 0.000 . 1 . . . . . 127 THR CA . 27435 1 1275 . 1 1 130 130 THR CB C 13 69.334 0.000 . 1 . . . . . 127 THR CB . 27435 1 1276 . 1 1 130 130 THR CG2 C 13 21.724 0.000 . 1 . . . . . 127 THR CG2 . 27435 1 1277 . 1 1 130 130 THR N N 15 118.460 0.000 . 1 . . . . . 127 THR N . 27435 1 1278 . 1 1 131 131 ILE H H 1 8.118 0.000 . 1 . . . . . 128 ILE H . 27435 1 1279 . 1 1 131 131 ILE HA H 1 4.229 0.000 . 1 . . . . . 128 ILE HA . 27435 1 1280 . 1 1 131 131 ILE HB H 1 1.879 0.000 . 1 . . . . . 128 ILE HB . 27435 1 1281 . 1 1 131 131 ILE HG12 H 1 1.464 0.000 . 2 . . . . . 128 ILE HG12 . 27435 1 1282 . 1 1 131 131 ILE HG13 H 1 1.169 0.000 . 2 . . . . . 128 ILE HG13 . 27435 1 1283 . 1 1 131 131 ILE HG21 H 1 0.895 0.000 . 1 . . . . . 128 ILE HG21 . 27435 1 1284 . 1 1 131 131 ILE HG22 H 1 0.895 0.000 . 1 . . . . . 128 ILE HG22 . 27435 1 1285 . 1 1 131 131 ILE HG23 H 1 0.895 0.000 . 1 . . . . . 128 ILE HG23 . 27435 1 1286 . 1 1 131 131 ILE HD11 H 1 0.844 0.000 . 1 . . . . . 128 ILE HD11 . 27435 1 1287 . 1 1 131 131 ILE HD12 H 1 0.844 0.000 . 1 . . . . . 128 ILE HD12 . 27435 1 1288 . 1 1 131 131 ILE HD13 H 1 0.844 0.000 . 1 . . . . . 128 ILE HD13 . 27435 1 1289 . 1 1 131 131 ILE C C 13 176.136 0.000 . 1 . . . . . 128 ILE C . 27435 1 1290 . 1 1 131 131 ILE CA C 13 60.547 0.000 . 1 . . . . . 128 ILE CA . 27435 1 1291 . 1 1 131 131 ILE CB C 13 38.070 0.000 . 1 . . . . . 128 ILE CB . 27435 1 1292 . 1 1 131 131 ILE CG1 C 13 27.311 0.000 . 1 . . . . . 128 ILE CG1 . 27435 1 1293 . 1 1 131 131 ILE CG2 C 13 17.536 0.000 . 1 . . . . . 128 ILE CG2 . 27435 1 1294 . 1 1 131 131 ILE CD1 C 13 13.024 0.000 . 1 . . . . . 128 ILE CD1 . 27435 1 1295 . 1 1 131 131 ILE N N 15 123.173 0.000 . 1 . . . . . 128 ILE N . 27435 1 1296 . 1 1 132 132 GLU H H 1 8.379 0.002 . 1 . . . . . 129 GLU H . 27435 1 1297 . 1 1 132 132 GLU HA H 1 4.429 0.000 . 1 . . . . . 129 GLU HA . 27435 1 1298 . 1 1 132 132 GLU HB2 H 1 2.142 0.000 . 2 . . . . . 129 GLU HB2 . 27435 1 1299 . 1 1 132 132 GLU HB3 H 1 2.000 0.000 . 2 . . . . . 129 GLU HB3 . 27435 1 1300 . 1 1 132 132 GLU HG2 H 1 2.435 0.000 . 1 . . . . . 129 GLU HG2 . 27435 1 1301 . 1 1 132 132 GLU C C 13 176.262 0.000 . 1 . . . . . 129 GLU C . 27435 1 1302 . 1 1 132 132 GLU CA C 13 55.516 0.000 . 1 . . . . . 129 GLU CA . 27435 1 1303 . 1 1 132 132 GLU CB C 13 28.722 0.000 . 1 . . . . . 129 GLU CB . 27435 1 1304 . 1 1 132 132 GLU CG C 13 33.743 0.000 . 1 . . . . . 129 GLU CG . 27435 1 1305 . 1 1 132 132 GLU N N 15 124.178 0.095 . 1 . . . . . 129 GLU N . 27435 1 1306 . 1 1 133 133 THR H H 1 8.203 0.000 . 1 . . . . . 130 THR H . 27435 1 1307 . 1 1 133 133 THR HA H 1 4.434 0.000 . 1 . . . . . 130 THR HA . 27435 1 1308 . 1 1 133 133 THR HB H 1 4.378 0.056 . 1 . . . . . 130 THR HB . 27435 1 1309 . 1 1 133 133 THR C C 13 174.853 0.000 . 1 . . . . . 130 THR C . 27435 1 1310 . 1 1 133 133 THR CA C 13 61.327 0.000 . 1 . . . . . 130 THR CA . 27435 1 1311 . 1 1 133 133 THR CB C 13 69.376 0.000 . 1 . . . . . 130 THR CB . 27435 1 1312 . 1 1 133 133 THR N N 15 115.450 0.000 . 1 . . . . . 130 THR N . 27435 1 1313 . 1 1 134 134 THR H H 1 8.160 0.000 . 1 . . . . . 131 THR H . 27435 1 1314 . 1 1 134 134 THR HA H 1 4.470 0.000 . 1 . . . . . 131 THR HA . 27435 1 1315 . 1 1 134 134 THR HB H 1 3.895 0.000 . 1 . . . . . 131 THR HB . 27435 1 1316 . 1 1 134 134 THR C C 13 174.692 0.000 . 1 . . . . . 131 THR C . 27435 1 1317 . 1 1 134 134 THR CA C 13 61.205 0.000 . 1 . . . . . 131 THR CA . 27435 1 1318 . 1 1 134 134 THR CB C 13 69.310 0.000 . 1 . . . . . 131 THR CB . 27435 1 1319 . 1 1 134 134 THR N N 15 115.810 0.000 . 1 . . . . . 131 THR N . 27435 1 1320 . 1 1 135 135 SER H H 1 8.329 0.000 . 1 . . . . . 132 SER H . 27435 1 1321 . 1 1 135 135 SER HA H 1 4.518 0.000 . 1 . . . . . 132 SER HA . 27435 1 1322 . 1 1 135 135 SER HB2 H 1 3.896 0.000 . 2 . . . . . 132 SER HB2 . 27435 1 1323 . 1 1 135 135 SER HB3 H 1 3.952 0.000 . 2 . . . . . 132 SER HB3 . 27435 1 1324 . 1 1 135 135 SER C C 13 175.027 0.000 . 1 . . . . . 132 SER C . 27435 1 1325 . 1 1 135 135 SER CA C 13 58.213 0.000 . 1 . . . . . 132 SER CA . 27435 1 1326 . 1 1 135 135 SER CB C 13 63.251 0.000 . 1 . . . . . 132 SER CB . 27435 1 1327 . 1 1 135 135 SER N N 15 117.753 0.000 . 1 . . . . . 132 SER N . 27435 1 1328 . 1 1 136 136 GLY H H 1 8.360 0.000 . 1 . . . . . 133 GLY H . 27435 1 1329 . 1 1 136 136 GLY HA2 H 1 4.080 0.000 . 1 . . . . . 133 GLY HA2 . 27435 1 1330 . 1 1 136 136 GLY HA3 H 1 4.080 0.000 . 1 . . . . . 133 GLY HA3 . 27435 1 1331 . 1 1 136 136 GLY C C 13 173.555 0.000 . 1 . . . . . 133 GLY C . 27435 1 1332 . 1 1 136 136 GLY CA C 13 45.109 0.000 . 1 . . . . . 133 GLY CA . 27435 1 1333 . 1 1 136 136 GLY N N 15 111.214 0.000 . 1 . . . . . 133 GLY N . 27435 1 1334 . 1 1 137 137 SER H H 1 7.863 0.002 . 1 . . . . . 134 SER H . 27435 1 1335 . 1 1 137 137 SER HA H 1 4.303 0.000 . 1 . . . . . 134 SER HA . 27435 1 1336 . 1 1 137 137 SER HB2 H 1 3.856 0.000 . 1 . . . . . 134 SER HB2 . 27435 1 1337 . 1 1 137 137 SER C C 13 178.296 0.000 . 1 . . . . . 134 SER C . 27435 1 1338 . 1 1 137 137 SER CA C 13 59.068 0.000 . 1 . . . . . 134 SER CA . 27435 1 1339 . 1 1 137 137 SER CB C 13 64.184 0.000 . 1 . . . . . 134 SER CB . 27435 1 1340 . 1 1 137 137 SER N N 15 119.977 0.000 . 1 . . . . . 134 SER N . 27435 1 stop_ save_