data_28085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28085 _Entry.Title ; 1H, 13C, and 15N backbone assignments of the C-terminal region of the human retinoic acid induced protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-18 _Entry.Accession_date 2020-02-18 _Entry.Last_release_date 2020-02-18 _Entry.Original_release_date 2020-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Andras Lang . . . . 28085 2 Nishit Goradia . . . . 28085 3 Matthias Wilmanns . . . . 28085 4 Oliver Ohlenschlaeger . . . . 28085 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leibniz Institute on Aging / Fritz Lipmann Institute' . 28085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 28085 '15N chemical shifts' 139 28085 '1H chemical shifts' 289 28085 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 . . 2021-02-18 . original BMRB . 28085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP Q9Y5P3 'C-terminal region' 28085 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28085 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32557393 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone assignments of the C-terminal region of the human retinoic acid induced protein 2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _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 271 _Citation.Page_last 275 _Citation.Year 2020 _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 Andras Lang . . . . 28085 1 2 Nishit Goradia . . . . 28085 1 3 Harriet Wikman . . . . 28085 1 4 Stefan Werner . . . . 28085 1 5 Matthias Wilmanns . . . . 28085 1 6 Oliver Ohlenschlaeger . . . . 28085 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical shift' 28085 1 'Heteronuclear NMR' 28085 1 'Resonance assignments' 28085 1 'Retinoic acid-induced protein 2' 28085 1 'Tumor suppressor' 28085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28085 _Assembly.ID 1 _Assembly.Name RAI2 _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 16146.01 _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 RAI2 1 $RAI2 A . yes 'intrinsically disordered' no no . . . 28085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RAI2 _Entity.Sf_category entity _Entity.Sf_framecode RAI2 _Entity.Entry_ID 28085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RAI2 _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 ; GAMDSRHTVIKMGSENEALD LSMKSVPWLKAGEVSPPIFQ EDAALDLSVAAHRKSEPPPE TLYDSGASVDSSGHTVMEKL PSGMEISFAPATSHEAPAMM DSHISSSDAATEMLSQPNHP SGEVKAENNIEMVGESQAAK VIVSVEDAVPTIF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a non-native cloning artifact' _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 153 _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 UNP Q9Y5P3 . RAI2 . . . . . . . . . . . . . . 28085 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 . GLY . 28085 1 2 . ALA . 28085 1 3 . MET . 28085 1 4 . ASP . 28085 1 5 . SER . 28085 1 6 . ARG . 28085 1 7 . HIS . 28085 1 8 . THR . 28085 1 9 . VAL . 28085 1 10 . ILE . 28085 1 11 . LYS . 28085 1 12 . MET . 28085 1 13 . GLY . 28085 1 14 . SER . 28085 1 15 . GLU . 28085 1 16 . ASN . 28085 1 17 . GLU . 28085 1 18 . ALA . 28085 1 19 . LEU . 28085 1 20 . ASP . 28085 1 21 . LEU . 28085 1 22 . SER . 28085 1 23 . MET . 28085 1 24 . LYS . 28085 1 25 . SER . 28085 1 26 . VAL . 28085 1 27 . PRO . 28085 1 28 . TRP . 28085 1 29 . LEU . 28085 1 30 . LYS . 28085 1 31 . ALA . 28085 1 32 . GLY . 28085 1 33 . GLU . 28085 1 34 . VAL . 28085 1 35 . SER . 28085 1 36 . PRO . 28085 1 37 . PRO . 28085 1 38 . ILE . 28085 1 39 . PHE . 28085 1 40 . GLN . 28085 1 41 . GLU . 28085 1 42 . ASP . 28085 1 43 . ALA . 28085 1 44 . ALA . 28085 1 45 . LEU . 28085 1 46 . ASP . 28085 1 47 . LEU . 28085 1 48 . SER . 28085 1 49 . VAL . 28085 1 50 . ALA . 28085 1 51 . ALA . 28085 1 52 . HIS . 28085 1 53 . ARG . 28085 1 54 . LYS . 28085 1 55 . SER . 28085 1 56 . GLU . 28085 1 57 . PRO . 28085 1 58 . PRO . 28085 1 59 . PRO . 28085 1 60 . GLU . 28085 1 61 . THR . 28085 1 62 . LEU . 28085 1 63 . TYR . 28085 1 64 . ASP . 28085 1 65 . SER . 28085 1 66 . GLY . 28085 1 67 . ALA . 28085 1 68 . SER . 28085 1 69 . VAL . 28085 1 70 . ASP . 28085 1 71 . SER . 28085 1 72 . SER . 28085 1 73 . GLY . 28085 1 74 . HIS . 28085 1 75 . THR . 28085 1 76 . VAL . 28085 1 77 . MET . 28085 1 78 . GLU . 28085 1 79 . LYS . 28085 1 80 . LEU . 28085 1 81 . PRO . 28085 1 82 . SER . 28085 1 83 . GLY . 28085 1 84 . MET . 28085 1 85 . GLU . 28085 1 86 . ILE . 28085 1 87 . SER . 28085 1 88 . PHE . 28085 1 89 . ALA . 28085 1 90 . PRO . 28085 1 91 . ALA . 28085 1 92 . THR . 28085 1 93 . SER . 28085 1 94 . HIS . 28085 1 95 . GLU . 28085 1 96 . ALA . 28085 1 97 . PRO . 28085 1 98 . ALA . 28085 1 99 . MET . 28085 1 100 . MET . 28085 1 101 . ASP . 28085 1 102 . SER . 28085 1 103 . HIS . 28085 1 104 . ILE . 28085 1 105 . SER . 28085 1 106 . SER . 28085 1 107 . SER . 28085 1 108 . ASP . 28085 1 109 . ALA . 28085 1 110 . ALA . 28085 1 111 . THR . 28085 1 112 . GLU . 28085 1 113 . MET . 28085 1 114 . LEU . 28085 1 115 . SER . 28085 1 116 . GLN . 28085 1 117 . PRO . 28085 1 118 . ASN . 28085 1 119 . HIS . 28085 1 120 . PRO . 28085 1 121 . SER . 28085 1 122 . GLY . 28085 1 123 . GLU . 28085 1 124 . VAL . 28085 1 125 . LYS . 28085 1 126 . ALA . 28085 1 127 . GLU . 28085 1 128 . ASN . 28085 1 129 . ASN . 28085 1 130 . ILE . 28085 1 131 . GLU . 28085 1 132 . MET . 28085 1 133 . VAL . 28085 1 134 . GLY . 28085 1 135 . GLU . 28085 1 136 . SER . 28085 1 137 . GLN . 28085 1 138 . ALA . 28085 1 139 . ALA . 28085 1 140 . LYS . 28085 1 141 . VAL . 28085 1 142 . ILE . 28085 1 143 . VAL . 28085 1 144 . SER . 28085 1 145 . VAL . 28085 1 146 . GLU . 28085 1 147 . ASP . 28085 1 148 . ALA . 28085 1 149 . VAL . 28085 1 150 . PRO . 28085 1 151 . THR . 28085 1 152 . ILE . 28085 1 153 . PHE . 28085 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 28085 1 . ALA 2 2 28085 1 . MET 3 3 28085 1 . ASP 4 4 28085 1 . SER 5 5 28085 1 . ARG 6 6 28085 1 . HIS 7 7 28085 1 . THR 8 8 28085 1 . VAL 9 9 28085 1 . ILE 10 10 28085 1 . LYS 11 11 28085 1 . MET 12 12 28085 1 . GLY 13 13 28085 1 . SER 14 14 28085 1 . GLU 15 15 28085 1 . ASN 16 16 28085 1 . GLU 17 17 28085 1 . ALA 18 18 28085 1 . LEU 19 19 28085 1 . ASP 20 20 28085 1 . LEU 21 21 28085 1 . SER 22 22 28085 1 . MET 23 23 28085 1 . LYS 24 24 28085 1 . SER 25 25 28085 1 . VAL 26 26 28085 1 . PRO 27 27 28085 1 . TRP 28 28 28085 1 . LEU 29 29 28085 1 . LYS 30 30 28085 1 . ALA 31 31 28085 1 . GLY 32 32 28085 1 . GLU 33 33 28085 1 . VAL 34 34 28085 1 . SER 35 35 28085 1 . PRO 36 36 28085 1 . PRO 37 37 28085 1 . ILE 38 38 28085 1 . PHE 39 39 28085 1 . GLN 40 40 28085 1 . GLU 41 41 28085 1 . ASP 42 42 28085 1 . ALA 43 43 28085 1 . ALA 44 44 28085 1 . LEU 45 45 28085 1 . ASP 46 46 28085 1 . LEU 47 47 28085 1 . SER 48 48 28085 1 . VAL 49 49 28085 1 . ALA 50 50 28085 1 . ALA 51 51 28085 1 . HIS 52 52 28085 1 . ARG 53 53 28085 1 . LYS 54 54 28085 1 . SER 55 55 28085 1 . GLU 56 56 28085 1 . PRO 57 57 28085 1 . PRO 58 58 28085 1 . PRO 59 59 28085 1 . GLU 60 60 28085 1 . THR 61 61 28085 1 . LEU 62 62 28085 1 . TYR 63 63 28085 1 . ASP 64 64 28085 1 . SER 65 65 28085 1 . GLY 66 66 28085 1 . ALA 67 67 28085 1 . SER 68 68 28085 1 . VAL 69 69 28085 1 . ASP 70 70 28085 1 . SER 71 71 28085 1 . SER 72 72 28085 1 . GLY 73 73 28085 1 . HIS 74 74 28085 1 . THR 75 75 28085 1 . VAL 76 76 28085 1 . MET 77 77 28085 1 . GLU 78 78 28085 1 . LYS 79 79 28085 1 . LEU 80 80 28085 1 . PRO 81 81 28085 1 . SER 82 82 28085 1 . GLY 83 83 28085 1 . MET 84 84 28085 1 . GLU 85 85 28085 1 . ILE 86 86 28085 1 . SER 87 87 28085 1 . PHE 88 88 28085 1 . ALA 89 89 28085 1 . PRO 90 90 28085 1 . ALA 91 91 28085 1 . THR 92 92 28085 1 . SER 93 93 28085 1 . HIS 94 94 28085 1 . GLU 95 95 28085 1 . ALA 96 96 28085 1 . PRO 97 97 28085 1 . ALA 98 98 28085 1 . MET 99 99 28085 1 . MET 100 100 28085 1 . ASP 101 101 28085 1 . SER 102 102 28085 1 . HIS 103 103 28085 1 . ILE 104 104 28085 1 . SER 105 105 28085 1 . SER 106 106 28085 1 . SER 107 107 28085 1 . ASP 108 108 28085 1 . ALA 109 109 28085 1 . ALA 110 110 28085 1 . THR 111 111 28085 1 . GLU 112 112 28085 1 . MET 113 113 28085 1 . LEU 114 114 28085 1 . SER 115 115 28085 1 . GLN 116 116 28085 1 . PRO 117 117 28085 1 . ASN 118 118 28085 1 . HIS 119 119 28085 1 . PRO 120 120 28085 1 . SER 121 121 28085 1 . GLY 122 122 28085 1 . GLU 123 123 28085 1 . VAL 124 124 28085 1 . LYS 125 125 28085 1 . ALA 126 126 28085 1 . GLU 127 127 28085 1 . ASN 128 128 28085 1 . ASN 129 129 28085 1 . ILE 130 130 28085 1 . GLU 131 131 28085 1 . MET 132 132 28085 1 . VAL 133 133 28085 1 . GLY 134 134 28085 1 . GLU 135 135 28085 1 . SER 136 136 28085 1 . GLN 137 137 28085 1 . ALA 138 138 28085 1 . ALA 139 139 28085 1 . LYS 140 140 28085 1 . VAL 141 141 28085 1 . ILE 142 142 28085 1 . VAL 143 143 28085 1 . SER 144 144 28085 1 . VAL 145 145 28085 1 . GLU 146 146 28085 1 . ASP 147 147 28085 1 . ALA 148 148 28085 1 . VAL 149 149 28085 1 . PRO 150 150 28085 1 . THR 151 151 28085 1 . ILE 152 152 28085 1 . PHE 153 153 28085 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 28085 _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 $RAI2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28085 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 28085 _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 $RAI2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETGB1a . . . 28085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28085 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RAI2 '[U-99% 13C; U-99% 15N]' . . 1 $RAI2 . . 1 . . mM . . . . 28085 1 2 TCEP 'natural abundance' . . . . . . 1.5 . . uM . . . . 28085 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28085 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28085 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28085 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 28085 1 pH 6.8 . pH 28085 1 pressure 1 . atm 28085 1 temperature 297 . K 28085 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28085 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28085 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28085 1 processing . 28085 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28085 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28085 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 28085 1 2 spectrometer_2 Bruker Avance . 700 . . . 28085 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 28085 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 9 '3D (H)N(COCA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 28085 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 28085 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28085 1 H 1 water protons . . . . ppm 4.782 internal direct 1 . . . . . 28085 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28085 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 28085 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 28085 1 2 '2D 1H-13C HSQC' . . . 28085 1 3 '3D HNCO' . . . 28085 1 4 '3D HNCA' . . . 28085 1 5 '3D HN(CO)CA' . . . 28085 1 6 '3D HN(CA)CO' . . . 28085 1 7 '3D CBCA(CO)NH' . . . 28085 1 8 '3D HNCACB' . . . 28085 1 9 '3D (H)N(COCA)NNH' . . . 28085 1 10 '3D 1H-15N TOCSY' . . . 28085 1 11 '3D H(CCO)NH' . . . 28085 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA C C 13 177.786 0.000 . 1 . . . . . 2 ALA C . 28085 1 2 . 1 . 1 2 2 ALA CA C 13 52.741 0.000 . 1 . . . . . 2 ALA CA . 28085 1 3 . 1 . 1 2 2 ALA CB C 13 18.894 0.000 . 1 . . . . . 2 ALA CB . 28085 1 4 . 1 . 1 3 3 MET H H 1 8.564 0.003 . 1 . . . . . 3 MET H . 28085 1 5 . 1 . 1 3 3 MET HA H 1 4.487 0.000 . 1 . . . . . 3 MET HA . 28085 1 6 . 1 . 1 3 3 MET C C 13 175.755 0.002 . 1 . . . . . 3 MET C . 28085 1 7 . 1 . 1 3 3 MET CA C 13 55.088 0.026 . 1 . . . . . 3 MET CA . 28085 1 8 . 1 . 1 3 3 MET CB C 13 32.231 0.106 . 1 . . . . . 3 MET CB . 28085 1 9 . 1 . 1 3 3 MET N N 15 118.517 0.004 . 1 . . . . . 3 MET N . 28085 1 10 . 1 . 1 4 4 ASP H H 1 8.181 0.004 . 1 . . . . . 4 ASP H . 28085 1 11 . 1 . 1 4 4 ASP HA H 1 4.608 0.001 . 1 . . . . . 4 ASP HA . 28085 1 12 . 1 . 1 4 4 ASP C C 13 176.139 0.000 . 1 . . . . . 4 ASP C . 28085 1 13 . 1 . 1 4 4 ASP CA C 13 53.921 0.015 . 1 . . . . . 4 ASP CA . 28085 1 14 . 1 . 1 4 4 ASP CB C 13 40.843 0.004 . 1 . . . . . 4 ASP CB . 28085 1 15 . 1 . 1 4 4 ASP N N 15 121.305 0.008 . 1 . . . . . 4 ASP N . 28085 1 16 . 1 . 1 5 5 SER H H 1 8.318 0.002 . 1 . . . . . 5 SER H . 28085 1 17 . 1 . 1 5 5 SER HA H 1 4.394 0.010 . 1 . . . . . 5 SER HA . 28085 1 18 . 1 . 1 5 5 SER C C 13 174.457 0.002 . 1 . . . . . 5 SER C . 28085 1 19 . 1 . 1 5 5 SER CA C 13 58.345 0.025 . 1 . . . . . 5 SER CA . 28085 1 20 . 1 . 1 5 5 SER CB C 13 63.197 0.045 . 1 . . . . . 5 SER CB . 28085 1 21 . 1 . 1 5 5 SER N N 15 116.819 0.026 . 1 . . . . . 5 SER N . 28085 1 22 . 1 . 1 6 6 ARG H H 1 8.276 0.006 . 1 . . . . . 6 ARG H . 28085 1 23 . 1 . 1 6 6 ARG HA H 1 4.313 0.000 . 1 . . . . . 6 ARG HA . 28085 1 24 . 1 . 1 6 6 ARG C C 13 175.878 0.001 . 1 . . . . . 6 ARG C . 28085 1 25 . 1 . 1 6 6 ARG CA C 13 56.075 0.018 . 1 . . . . . 6 ARG CA . 28085 1 26 . 1 . 1 6 6 ARG CB C 13 30.168 0.020 . 1 . . . . . 6 ARG CB . 28085 1 27 . 1 . 1 6 6 ARG N N 15 122.026 0.001 . 1 . . . . . 6 ARG N . 28085 1 28 . 1 . 1 7 7 HIS H H 1 8.256 0.002 . 1 . . . . . 7 HIS H . 28085 1 29 . 1 . 1 7 7 HIS C C 13 174.246 0.135 . 1 . . . . . 7 HIS C . 28085 1 30 . 1 . 1 7 7 HIS CA C 13 55.274 0.082 . 1 . . . . . 7 HIS CA . 28085 1 31 . 1 . 1 7 7 HIS CB C 13 29.274 0.008 . 1 . . . . . 7 HIS CB . 28085 1 32 . 1 . 1 7 7 HIS N N 15 116.782 0.000 . 1 . . . . . 7 HIS N . 28085 1 33 . 1 . 1 8 8 THR H H 1 8.121 0.012 . 1 . . . . . 8 THR H . 28085 1 34 . 1 . 1 8 8 THR HA H 1 4.308 0.000 . 1 . . . . . 8 THR HA . 28085 1 35 . 1 . 1 8 8 THR C C 13 173.732 0.010 . 1 . . . . . 8 THR C . 28085 1 36 . 1 . 1 8 8 THR CA C 13 61.795 0.058 . 1 . . . . . 8 THR CA . 28085 1 37 . 1 . 1 8 8 THR CB C 13 69.474 0.010 . 1 . . . . . 8 THR CB . 28085 1 38 . 1 . 1 8 8 THR N N 15 116.512 0.030 . 1 . . . . . 8 THR N . 28085 1 39 . 1 . 1 9 9 VAL H H 1 8.238 0.008 . 1 . . . . . 9 VAL H . 28085 1 40 . 1 . 1 9 9 VAL HA H 1 4.317 0.000 . 1 . . . . . 9 VAL HA . 28085 1 41 . 1 . 1 9 9 VAL C C 13 175.424 0.006 . 1 . . . . . 9 VAL C . 28085 1 42 . 1 . 1 9 9 VAL CA C 13 62.032 0.013 . 1 . . . . . 9 VAL CA . 28085 1 43 . 1 . 1 9 9 VAL CB C 13 32.489 0.010 . 1 . . . . . 9 VAL CB . 28085 1 44 . 1 . 1 9 9 VAL N N 15 123.527 0.005 . 1 . . . . . 9 VAL N . 28085 1 45 . 1 . 1 10 10 ILE H H 1 8.263 0.003 . 1 . . . . . 10 ILE H . 28085 1 46 . 1 . 1 10 10 ILE HA H 1 4.124 0.000 . 1 . . . . . 10 ILE HA . 28085 1 47 . 1 . 1 10 10 ILE C C 13 175.477 0.002 . 1 . . . . . 10 ILE C . 28085 1 48 . 1 . 1 10 10 ILE CA C 13 60.454 0.009 . 1 . . . . . 10 ILE CA . 28085 1 49 . 1 . 1 10 10 ILE CB C 13 38.247 0.044 . 1 . . . . . 10 ILE CB . 28085 1 50 . 1 . 1 10 10 ILE N N 15 125.747 0.002 . 1 . . . . . 10 ILE N . 28085 1 51 . 1 . 1 11 11 LYS H H 1 8.425 0.011 . 1 . . . . . 11 LYS H . 28085 1 52 . 1 . 1 11 11 LYS HA H 1 4.343 0.000 . 1 . . . . . 11 LYS HA . 28085 1 53 . 1 . 1 11 11 LYS C C 13 175.814 0.001 . 1 . . . . . 11 LYS C . 28085 1 54 . 1 . 1 11 11 LYS CA C 13 55.571 0.064 . 1 . . . . . 11 LYS CA . 28085 1 55 . 1 . 1 11 11 LYS CB C 13 32.654 0.006 . 1 . . . . . 11 LYS CB . 28085 1 56 . 1 . 1 11 11 LYS N N 15 126.477 0.003 . 1 . . . . . 11 LYS N . 28085 1 57 . 1 . 1 12 12 MET H H 1 8.574 0.006 . 1 . . . . . 12 MET H . 28085 1 58 . 1 . 1 12 12 MET HA H 1 4.509 0.000 . 1 . . . . . 12 MET HA . 28085 1 59 . 1 . 1 12 12 MET C C 13 176.360 0.001 . 1 . . . . . 12 MET C . 28085 1 60 . 1 . 1 12 12 MET CA C 13 55.191 0.014 . 1 . . . . . 12 MET CA . 28085 1 61 . 1 . 1 12 12 MET CB C 13 32.707 0.006 . 1 . . . . . 12 MET CB . 28085 1 62 . 1 . 1 12 12 MET N N 15 123.205 0.001 . 1 . . . . . 12 MET N . 28085 1 63 . 1 . 1 13 13 GLY H H 1 8.613 0.005 . 1 . . . . . 13 GLY H . 28085 1 64 . 1 . 1 13 13 GLY HA2 H 1 4.025 0.000 . 1 . . . . . 13 GLY HA2 . 28085 1 65 . 1 . 1 13 13 GLY HA3 H 1 4.025 0.000 . 1 . . . . . 13 GLY HA3 . 28085 1 66 . 1 . 1 13 13 GLY C C 13 173.925 0.002 . 1 . . . . . 13 GLY C . 28085 1 67 . 1 . 1 13 13 GLY CA C 13 45.047 0.015 . 1 . . . . . 13 GLY CA . 28085 1 68 . 1 . 1 13 13 GLY N N 15 111.069 0.024 . 1 . . . . . 13 GLY N . 28085 1 69 . 1 . 1 14 14 SER H H 1 8.271 0.002 . 1 . . . . . 14 SER H . 28085 1 70 . 1 . 1 14 14 SER HA H 1 4.482 0.000 . 1 . . . . . 14 SER HA . 28085 1 71 . 1 . 1 14 14 SER C C 13 174.555 0.006 . 1 . . . . . 14 SER C . 28085 1 72 . 1 . 1 14 14 SER CA C 13 58.041 0.066 . 1 . . . . . 14 SER CA . 28085 1 73 . 1 . 1 14 14 SER CB C 13 63.611 0.010 . 1 . . . . . 14 SER CB . 28085 1 74 . 1 . 1 14 14 SER N N 15 115.712 0.004 . 1 . . . . . 14 SER N . 28085 1 75 . 1 . 1 15 15 GLU H H 1 8.770 0.003 . 1 . . . . . 15 GLU H . 28085 1 76 . 1 . 1 15 15 GLU HA H 1 4.270 0.000 . 1 . . . . . 15 GLU HA . 28085 1 77 . 1 . 1 15 15 GLU C C 13 176.134 0.003 . 1 . . . . . 15 GLU C . 28085 1 78 . 1 . 1 15 15 GLU CA C 13 56.942 0.026 . 1 . . . . . 15 GLU CA . 28085 1 79 . 1 . 1 15 15 GLU CB C 13 29.350 0.054 . 1 . . . . . 15 GLU CB . 28085 1 80 . 1 . 1 15 15 GLU N N 15 122.573 0.006 . 1 . . . . . 15 GLU N . 28085 1 81 . 1 . 1 16 16 ASN H H 1 8.381 0.003 . 1 . . . . . 16 ASN H . 28085 1 82 . 1 . 1 16 16 ASN HA H 1 4.709 0.000 . 1 . . . . . 16 ASN HA . 28085 1 83 . 1 . 1 16 16 ASN C C 13 174.880 0.000 . 1 . . . . . 16 ASN C . 28085 1 84 . 1 . 1 16 16 ASN CA C 13 53.180 0.077 . 1 . . . . . 16 ASN CA . 28085 1 85 . 1 . 1 16 16 ASN CB C 13 38.620 0.038 . 1 . . . . . 16 ASN CB . 28085 1 86 . 1 . 1 16 16 ASN N N 15 118.500 0.002 . 1 . . . . . 16 ASN N . 28085 1 87 . 1 . 1 17 17 GLU H H 1 8.268 0.002 . 1 . . . . . 17 GLU H . 28085 1 88 . 1 . 1 17 17 GLU HA H 1 4.231 0.000 . 1 . . . . . 17 GLU HA . 28085 1 89 . 1 . 1 17 17 GLU C C 13 175.866 0.000 . 1 . . . . . 17 GLU C . 28085 1 90 . 1 . 1 17 17 GLU CA C 13 56.519 0.054 . 1 . . . . . 17 GLU CA . 28085 1 91 . 1 . 1 17 17 GLU CB C 13 29.879 0.011 . 1 . . . . . 17 GLU CB . 28085 1 92 . 1 . 1 17 17 GLU N N 15 121.402 0.002 . 1 . . . . . 17 GLU N . 28085 1 93 . 1 . 1 18 18 ALA H H 1 8.239 0.006 . 1 . . . . . 18 ALA H . 28085 1 94 . 1 . 1 18 18 ALA HA H 1 4.298 0.000 . 1 . . . . . 18 ALA HA . 28085 1 95 . 1 . 1 18 18 ALA C C 13 177.430 0.007 . 1 . . . . . 18 ALA C . 28085 1 96 . 1 . 1 18 18 ALA CA C 13 52.105 0.055 . 1 . . . . . 18 ALA CA . 28085 1 97 . 1 . 1 18 18 ALA CB C 13 18.709 0.040 . 1 . . . . . 18 ALA CB . 28085 1 98 . 1 . 1 18 18 ALA N N 15 124.296 0.003 . 1 . . . . . 18 ALA N . 28085 1 99 . 1 . 1 19 19 LEU H H 1 8.052 0.010 . 1 . . . . . 19 LEU H . 28085 1 100 . 1 . 1 19 19 LEU HA H 1 4.174 0.000 . 1 . . . . . 19 LEU HA . 28085 1 101 . 1 . 1 19 19 LEU C C 13 176.746 0.002 . 1 . . . . . 19 LEU C . 28085 1 102 . 1 . 1 19 19 LEU CA C 13 54.973 0.067 . 1 . . . . . 19 LEU CA . 28085 1 103 . 1 . 1 19 19 LEU CB C 13 42.111 0.041 . 1 . . . . . 19 LEU CB . 28085 1 104 . 1 . 1 19 19 LEU N N 15 121.216 0.003 . 1 . . . . . 19 LEU N . 28085 1 105 . 1 . 1 20 20 ASP H H 1 8.269 0.013 . 1 . . . . . 20 ASP H . 28085 1 106 . 1 . 1 20 20 ASP HA H 1 4.612 0.000 . 1 . . . . . 20 ASP HA . 28085 1 107 . 1 . 1 20 20 ASP C C 13 176.408 0.001 . 1 . . . . . 20 ASP C . 28085 1 108 . 1 . 1 20 20 ASP CA C 13 53.833 0.062 . 1 . . . . . 20 ASP CA . 28085 1 109 . 1 . 1 20 20 ASP CB C 13 40.691 0.115 . 1 . . . . . 20 ASP CB . 28085 1 110 . 1 . 1 20 20 ASP N N 15 121.072 0.003 . 1 . . . . . 20 ASP N . 28085 1 111 . 1 . 1 21 21 LEU H H 1 8.295 0.006 . 1 . . . . . 21 LEU H . 28085 1 112 . 1 . 1 21 21 LEU HA H 1 4.334 0.000 . 1 . . . . . 21 LEU HA . 28085 1 113 . 1 . 1 21 21 LEU C C 13 177.810 0.021 . 1 . . . . . 21 LEU C . 28085 1 114 . 1 . 1 21 21 LEU CA C 13 55.073 0.018 . 1 . . . . . 21 LEU CA . 28085 1 115 . 1 . 1 21 21 LEU CB C 13 41.437 0.014 . 1 . . . . . 21 LEU CB . 28085 1 116 . 1 . 1 21 21 LEU N N 15 123.559 0.021 . 1 . . . . . 21 LEU N . 28085 1 117 . 1 . 1 22 22 SER H H 1 8.345 0.003 . 1 . . . . . 22 SER H . 28085 1 118 . 1 . 1 22 22 SER HA H 1 4.346 0.000 . 1 . . . . . 22 SER HA . 28085 1 119 . 1 . 1 22 22 SER C C 13 174.229 0.027 . 1 . . . . . 22 SER C . 28085 1 120 . 1 . 1 22 22 SER CA C 13 58.817 0.116 . 1 . . . . . 22 SER CA . 28085 1 121 . 1 . 1 22 22 SER CB C 13 63.290 0.008 . 1 . . . . . 22 SER CB . 28085 1 122 . 1 . 1 22 22 SER N N 15 115.970 0.006 . 1 . . . . . 22 SER N . 28085 1 123 . 1 . 1 23 23 MET H H 1 8.115 0.003 . 1 . . . . . 23 MET H . 28085 1 124 . 1 . 1 23 23 MET HA H 1 4.560 0.000 . 1 . . . . . 23 MET HA . 28085 1 125 . 1 . 1 23 23 MET C C 13 175.918 0.000 . 1 . . . . . 23 MET C . 28085 1 126 . 1 . 1 23 23 MET CA C 13 54.819 0.034 . 1 . . . . . 23 MET CA . 28085 1 127 . 1 . 1 23 23 MET CB C 13 32.399 0.007 . 1 . . . . . 23 MET CB . 28085 1 128 . 1 . 1 23 23 MET N N 15 120.937 0.012 . 1 . . . . . 23 MET N . 28085 1 129 . 1 . 1 24 24 LYS H H 1 8.067 0.001 . 1 . . . . . 24 LYS H . 28085 1 130 . 1 . 1 24 24 LYS C C 13 176.123 0.003 . 1 . . . . . 24 LYS C . 28085 1 131 . 1 . 1 24 24 LYS CA C 13 56.076 0.051 . 1 . . . . . 24 LYS CA . 28085 1 132 . 1 . 1 24 24 LYS CB C 13 42.173 0.031 . 1 . . . . . 24 LYS CB . 28085 1 133 . 1 . 1 24 24 LYS N N 15 121.365 0.038 . 1 . . . . . 24 LYS N . 28085 1 134 . 1 . 1 25 25 SER H H 1 8.173 0.005 . 1 . . . . . 25 SER H . 28085 1 135 . 1 . 1 25 25 SER HA H 1 4.425 0.000 . 1 . . . . . 25 SER HA . 28085 1 136 . 1 . 1 25 25 SER C C 13 173.684 0.006 . 1 . . . . . 25 SER C . 28085 1 137 . 1 . 1 25 25 SER CA C 13 57.775 0.012 . 1 . . . . . 25 SER CA . 28085 1 138 . 1 . 1 25 25 SER CB C 13 63.220 0.034 . 1 . . . . . 25 SER CB . 28085 1 139 . 1 . 1 25 25 SER N N 15 116.304 0.004 . 1 . . . . . 25 SER N . 28085 1 140 . 1 . 1 26 26 VAL H H 1 7.995 0.013 . 1 . . . . . 26 VAL H . 28085 1 141 . 1 . 1 26 26 VAL HA H 1 4.450 0.000 . 1 . . . . . 26 VAL HA . 28085 1 142 . 1 . 1 26 26 VAL C C 13 174.507 0.000 . 1 . . . . . 26 VAL C . 28085 1 143 . 1 . 1 26 26 VAL CA C 13 59.354 0.011 . 1 . . . . . 26 VAL CA . 28085 1 144 . 1 . 1 26 26 VAL CB C 13 32.180 0.000 . 1 . . . . . 26 VAL CB . 28085 1 145 . 1 . 1 26 26 VAL N N 15 121.868 0.015 . 1 . . . . . 26 VAL N . 28085 1 146 . 1 . 1 27 27 PRO HA H 1 4.352 0.000 . 1 . . . . . 27 PRO HA . 28085 1 147 . 1 . 1 27 27 PRO C C 13 176.273 0.000 . 1 . . . . . 27 PRO C . 28085 1 148 . 1 . 1 27 27 PRO CA C 13 63.516 0.000 . 1 . . . . . 27 PRO CA . 28085 1 149 . 1 . 1 27 27 PRO CB C 13 31.437 0.000 . 1 . . . . . 27 PRO CB . 28085 1 150 . 1 . 1 28 28 TRP H H 1 7.640 0.004 . 1 . . . . . 28 TRP H . 28085 1 151 . 1 . 1 28 28 TRP HA H 1 4.706 0.000 . 1 . . . . . 28 TRP HA . 28085 1 152 . 1 . 1 28 28 TRP C C 13 175.510 0.016 . 1 . . . . . 28 TRP C . 28085 1 153 . 1 . 1 28 28 TRP CA C 13 56.695 0.034 . 1 . . . . . 28 TRP CA . 28085 1 154 . 1 . 1 28 28 TRP CB C 13 28.323 0.024 . 1 . . . . . 28 TRP CB . 28085 1 155 . 1 . 1 28 28 TRP N N 15 118.838 0.013 . 1 . . . . . 28 TRP N . 28085 1 156 . 1 . 1 29 29 LEU H H 1 7.685 0.009 . 1 . . . . . 29 LEU H . 28085 1 157 . 1 . 1 29 29 LEU HA H 1 4.308 0.000 . 1 . . . . . 29 LEU HA . 28085 1 158 . 1 . 1 29 29 LEU C C 13 176.363 0.003 . 1 . . . . . 29 LEU C . 28085 1 159 . 1 . 1 29 29 LEU CA C 13 54.539 0.032 . 1 . . . . . 29 LEU CA . 28085 1 160 . 1 . 1 29 29 LEU CB C 13 42.219 0.058 . 1 . . . . . 29 LEU CB . 28085 1 161 . 1 . 1 29 29 LEU N N 15 123.729 0.008 . 1 . . . . . 29 LEU N . 28085 1 162 . 1 . 1 30 30 LYS H H 1 8.117 0.006 . 1 . . . . . 30 LYS H . 28085 1 163 . 1 . 1 30 30 LYS HA H 1 4.256 0.000 . 1 . . . . . 30 LYS HA . 28085 1 164 . 1 . 1 30 30 LYS C C 13 175.811 0.003 . 1 . . . . . 30 LYS C . 28085 1 165 . 1 . 1 30 30 LYS CA C 13 55.628 0.011 . 1 . . . . . 30 LYS CA . 28085 1 166 . 1 . 1 30 30 LYS CB C 13 32.601 0.068 . 1 . . . . . 30 LYS CB . 28085 1 167 . 1 . 1 30 30 LYS N N 15 122.566 0.003 . 1 . . . . . 30 LYS N . 28085 1 168 . 1 . 1 31 31 ALA H H 1 8.296 0.007 . 1 . . . . . 31 ALA H . 28085 1 169 . 1 . 1 31 31 ALA HA H 1 4.181 0.000 . 1 . . . . . 31 ALA HA . 28085 1 170 . 1 . 1 31 31 ALA C C 13 177.891 0.001 . 1 . . . . . 31 ALA C . 28085 1 171 . 1 . 1 31 31 ALA CA C 13 52.562 0.017 . 1 . . . . . 31 ALA CA . 28085 1 172 . 1 . 1 31 31 ALA CB C 13 18.672 0.043 . 1 . . . . . 31 ALA CB . 28085 1 173 . 1 . 1 31 31 ALA N N 15 125.451 0.002 . 1 . . . . . 31 ALA N . 28085 1 174 . 1 . 1 32 32 GLY H H 1 8.382 0.004 . 1 . . . . . 32 GLY H . 28085 1 175 . 1 . 1 32 32 GLY HA2 H 1 3.956 0.000 . 1 . . . . . 32 GLY HA2 . 28085 1 176 . 1 . 1 32 32 GLY HA3 H 1 3.956 0.000 . 1 . . . . . 32 GLY HA3 . 28085 1 177 . 1 . 1 32 32 GLY C C 13 173.675 0.003 . 1 . . . . . 32 GLY C . 28085 1 178 . 1 . 1 32 32 GLY CA C 13 44.841 0.012 . 1 . . . . . 32 GLY CA . 28085 1 179 . 1 . 1 32 32 GLY N N 15 108.551 0.014 . 1 . . . . . 32 GLY N . 28085 1 180 . 1 . 1 33 33 GLU H H 1 8.103 0.003 . 1 . . . . . 33 GLU H . 28085 1 181 . 1 . 1 33 33 GLU HA H 1 4.333 0.000 . 1 . . . . . 33 GLU HA . 28085 1 182 . 1 . 1 33 33 GLU C C 13 175.987 0.005 . 1 . . . . . 33 GLU C . 28085 1 183 . 1 . 1 33 33 GLU CA C 13 55.971 0.012 . 1 . . . . . 33 GLU CA . 28085 1 184 . 1 . 1 33 33 GLU CB C 13 30.183 0.005 . 1 . . . . . 33 GLU CB . 28085 1 185 . 1 . 1 33 33 GLU N N 15 120.519 0.005 . 1 . . . . . 33 GLU N . 28085 1 186 . 1 . 1 34 34 VAL H H 1 8.234 0.002 . 1 . . . . . 34 VAL H . 28085 1 187 . 1 . 1 34 34 VAL HA H 1 4.179 0.000 . 1 . . . . . 34 VAL HA . 28085 1 188 . 1 . 1 34 34 VAL C C 13 175.593 0.004 . 1 . . . . . 34 VAL C . 28085 1 189 . 1 . 1 34 34 VAL CA C 13 61.660 0.017 . 1 . . . . . 34 VAL CA . 28085 1 190 . 1 . 1 34 34 VAL CB C 13 32.651 0.004 . 1 . . . . . 34 VAL CB . 28085 1 191 . 1 . 1 34 34 VAL N N 15 120.918 0.002 . 1 . . . . . 34 VAL N . 28085 1 192 . 1 . 1 35 35 SER H H 1 8.397 0.001 . 1 . . . . . 35 SER H . 28085 1 193 . 1 . 1 35 35 SER HA H 1 4.722 0.000 . 1 . . . . . 35 SER HA . 28085 1 194 . 1 . 1 35 35 SER C C 13 171.489 0.000 . 1 . . . . . 35 SER C . 28085 1 195 . 1 . 1 35 35 SER CA C 13 56.018 0.000 . 1 . . . . . 35 SER CA . 28085 1 196 . 1 . 1 35 35 SER CB C 13 62.828 0.000 . 1 . . . . . 35 SER CB . 28085 1 197 . 1 . 1 35 35 SER N N 15 121.265 0.002 . 1 . . . . . 35 SER N . 28085 1 198 . 1 . 1 36 36 PRO HA H 1 4.663 0.000 . 1 . . . . . 36 PRO HA . 28085 1 199 . 1 . 1 36 36 PRO CA C 13 61.232 0.000 . 1 . . . . . 36 PRO CA . 28085 1 200 . 1 . 1 37 37 PRO HA H 1 4.391 0.000 . 1 . . . . . 37 PRO HA . 28085 1 201 . 1 . 1 37 37 PRO C C 13 176.157 0.000 . 1 . . . . . 37 PRO C . 28085 1 202 . 1 . 1 37 37 PRO CA C 13 62.473 0.000 . 1 . . . . . 37 PRO CA . 28085 1 203 . 1 . 1 37 37 PRO CB C 13 31.478 0.000 . 1 . . . . . 37 PRO CB . 28085 1 204 . 1 . 1 38 38 ILE H H 1 8.066 0.004 . 1 . . . . . 38 ILE H . 28085 1 205 . 1 . 1 38 38 ILE HA H 1 4.087 0.000 . 1 . . . . . 38 ILE HA . 28085 1 206 . 1 . 1 38 38 ILE C C 13 175.538 0.004 . 1 . . . . . 38 ILE C . 28085 1 207 . 1 . 1 38 38 ILE CA C 13 60.539 0.038 . 1 . . . . . 38 ILE CA . 28085 1 208 . 1 . 1 38 38 ILE CB C 13 38.652 0.000 . 1 . . . . . 38 ILE CB . 28085 1 209 . 1 . 1 38 38 ILE N N 15 120.299 0.002 . 1 . . . . . 38 ILE N . 28085 1 210 . 1 . 1 39 39 PHE H H 1 8.304 0.001 . 1 . . . . . 39 PHE H . 28085 1 211 . 1 . 1 39 39 PHE HA H 1 4.672 0.000 . 1 . . . . . 39 PHE HA . 28085 1 212 . 1 . 1 39 39 PHE C C 13 174.867 0.007 . 1 . . . . . 39 PHE C . 28085 1 213 . 1 . 1 39 39 PHE CA C 13 57.088 0.025 . 1 . . . . . 39 PHE CA . 28085 1 214 . 1 . 1 39 39 PHE CB C 13 39.346 0.073 . 1 . . . . . 39 PHE CB . 28085 1 215 . 1 . 1 39 39 PHE N N 15 124.489 0.001 . 1 . . . . . 39 PHE N . 28085 1 216 . 1 . 1 40 40 GLN H H 1 8.258 0.002 . 1 . . . . . 40 GLN H . 28085 1 217 . 1 . 1 40 40 GLN HA H 1 4.308 0.000 . 1 . . . . . 40 GLN HA . 28085 1 218 . 1 . 1 40 40 GLN C C 13 174.948 0.007 . 1 . . . . . 40 GLN C . 28085 1 219 . 1 . 1 40 40 GLN CA C 13 55.096 0.006 . 1 . . . . . 40 GLN CA . 28085 1 220 . 1 . 1 40 40 GLN CB C 13 29.656 0.068 . 1 . . . . . 40 GLN CB . 28085 1 221 . 1 . 1 40 40 GLN N N 15 123.189 0.003 . 1 . . . . . 40 GLN N . 28085 1 222 . 1 . 1 41 41 GLU H H 1 8.474 0.002 . 1 . . . . . 41 GLU H . 28085 1 223 . 1 . 1 41 41 GLU HA H 1 4.180 0.000 . 1 . . . . . 41 GLU HA . 28085 1 224 . 1 . 1 41 41 GLU C C 13 175.863 0.001 . 1 . . . . . 41 GLU C . 28085 1 225 . 1 . 1 41 41 GLU CA C 13 56.485 0.025 . 1 . . . . . 41 GLU CA . 28085 1 226 . 1 . 1 41 41 GLU CB C 13 29.910 0.021 . 1 . . . . . 41 GLU CB . 28085 1 227 . 1 . 1 41 41 GLU N N 15 122.924 0.003 . 1 . . . . . 41 GLU N . 28085 1 228 . 1 . 1 42 42 ASP H H 1 8.414 0.002 . 1 . . . . . 42 ASP H . 28085 1 229 . 1 . 1 42 42 ASP HA H 1 4.551 0.000 . 1 . . . . . 42 ASP HA . 28085 1 230 . 1 . 1 42 42 ASP C C 13 175.861 0.004 . 1 . . . . . 42 ASP C . 28085 1 231 . 1 . 1 42 42 ASP CA C 13 54.072 0.077 . 1 . . . . . 42 ASP CA . 28085 1 232 . 1 . 1 42 42 ASP CB C 13 40.763 0.056 . 1 . . . . . 42 ASP CB . 28085 1 233 . 1 . 1 42 42 ASP N N 15 121.408 0.002 . 1 . . . . . 42 ASP N . 28085 1 234 . 1 . 1 43 43 ALA H H 1 8.207 0.001 . 1 . . . . . 43 ALA H . 28085 1 235 . 1 . 1 43 43 ALA HA H 1 4.262 0.000 . 1 . . . . . 43 ALA HA . 28085 1 236 . 1 . 1 43 43 ALA C C 13 177.284 0.001 . 1 . . . . . 43 ALA C . 28085 1 237 . 1 . 1 43 43 ALA CA C 13 52.474 0.050 . 1 . . . . . 43 ALA CA . 28085 1 238 . 1 . 1 43 43 ALA CB C 13 18.692 0.042 . 1 . . . . . 43 ALA CB . 28085 1 239 . 1 . 1 43 43 ALA N N 15 124.839 0.004 . 1 . . . . . 43 ALA N . 28085 1 240 . 1 . 1 44 44 ALA H H 1 8.207 0.002 . 1 . . . . . 44 ALA H . 28085 1 241 . 1 . 1 44 44 ALA HA H 1 4.234 0.000 . 1 . . . . . 44 ALA HA . 28085 1 242 . 1 . 1 44 44 ALA C C 13 177.561 0.002 . 1 . . . . . 44 ALA C . 28085 1 243 . 1 . 1 44 44 ALA CA C 13 52.151 0.063 . 1 . . . . . 44 ALA CA . 28085 1 244 . 1 . 1 44 44 ALA CB C 13 18.578 0.011 . 1 . . . . . 44 ALA CB . 28085 1 245 . 1 . 1 44 44 ALA N N 15 122.317 0.004 . 1 . . . . . 44 ALA N . 28085 1 246 . 1 . 1 45 45 LEU H H 1 7.978 0.002 . 1 . . . . . 45 LEU H . 28085 1 247 . 1 . 1 45 45 LEU HA H 1 4.251 0.000 . 1 . . . . . 45 LEU HA . 28085 1 248 . 1 . 1 45 45 LEU C C 13 176.688 0.001 . 1 . . . . . 45 LEU C . 28085 1 249 . 1 . 1 45 45 LEU CA C 13 54.968 0.073 . 1 . . . . . 45 LEU CA . 28085 1 250 . 1 . 1 45 45 LEU CB C 13 42.071 0.019 . 1 . . . . . 45 LEU CB . 28085 1 251 . 1 . 1 45 45 LEU N N 15 120.883 0.012 . 1 . . . . . 45 LEU N . 28085 1 252 . 1 . 1 46 46 ASP H H 1 8.221 0.004 . 1 . . . . . 46 ASP H . 28085 1 253 . 1 . 1 46 46 ASP HA H 1 4.559 0.000 . 1 . . . . . 46 ASP HA . 28085 1 254 . 1 . 1 46 46 ASP C C 13 176.303 0.000 . 1 . . . . . 46 ASP C . 28085 1 255 . 1 . 1 46 46 ASP CA C 13 53.848 0.003 . 1 . . . . . 46 ASP CA . 28085 1 256 . 1 . 1 46 46 ASP CB C 13 40.766 0.030 . 1 . . . . . 46 ASP CB . 28085 1 257 . 1 . 1 46 46 ASP N N 15 121.113 0.003 . 1 . . . . . 46 ASP N . 28085 1 258 . 1 . 1 47 47 LEU H H 1 8.310 0.003 . 1 . . . . . 47 LEU H . 28085 1 259 . 1 . 1 47 47 LEU HA H 1 4.305 0.000 . 1 . . . . . 47 LEU HA . 28085 1 260 . 1 . 1 47 47 LEU C C 13 177.728 0.001 . 1 . . . . . 47 LEU C . 28085 1 261 . 1 . 1 47 47 LEU CA C 13 55.337 0.016 . 1 . . . . . 47 LEU CA . 28085 1 262 . 1 . 1 47 47 LEU CB C 13 41.441 0.015 . 1 . . . . . 47 LEU CB . 28085 1 263 . 1 . 1 47 47 LEU N N 15 123.689 0.003 . 1 . . . . . 47 LEU N . 28085 1 264 . 1 . 1 48 48 SER H H 1 8.389 0.003 . 1 . . . . . 48 SER H . 28085 1 265 . 1 . 1 48 48 SER HA H 1 4.339 0.000 . 1 . . . . . 48 SER HA . 28085 1 266 . 1 . 1 48 48 SER C C 13 174.904 0.003 . 1 . . . . . 48 SER C . 28085 1 267 . 1 . 1 48 48 SER CA C 13 59.253 0.019 . 1 . . . . . 48 SER CA . 28085 1 268 . 1 . 1 48 48 SER CB C 13 63.258 0.042 . 1 . . . . . 48 SER CB . 28085 1 269 . 1 . 1 48 48 SER N N 15 116.214 0.001 . 1 . . . . . 48 SER N . 28085 1 270 . 1 . 1 49 49 VAL H H 1 7.807 0.002 . 1 . . . . . 49 VAL H . 28085 1 271 . 1 . 1 49 49 VAL HA H 1 4.058 0.000 . 1 . . . . . 49 VAL HA . 28085 1 272 . 1 . 1 49 49 VAL C C 13 176.240 0.009 . 1 . . . . . 49 VAL C . 28085 1 273 . 1 . 1 49 49 VAL CA C 13 62.624 0.003 . 1 . . . . . 49 VAL CA . 28085 1 274 . 1 . 1 49 49 VAL CB C 13 32.044 0.006 . 1 . . . . . 49 VAL CB . 28085 1 275 . 1 . 1 49 49 VAL N N 15 120.948 0.004 . 1 . . . . . 49 VAL N . 28085 1 276 . 1 . 1 50 50 ALA H H 1 8.134 0.002 . 1 . . . . . 50 ALA H . 28085 1 277 . 1 . 1 50 50 ALA HA H 1 4.200 0.000 . 1 . . . . . 50 ALA HA . 28085 1 278 . 1 . 1 50 50 ALA C C 13 177.560 0.003 . 1 . . . . . 50 ALA C . 28085 1 279 . 1 . 1 50 50 ALA CA C 13 52.759 0.018 . 1 . . . . . 50 ALA CA . 28085 1 280 . 1 . 1 50 50 ALA CB C 13 18.607 0.010 . 1 . . . . . 50 ALA CB . 28085 1 281 . 1 . 1 50 50 ALA N N 15 125.806 0.006 . 1 . . . . . 50 ALA N . 28085 1 282 . 1 . 1 51 51 ALA H H 1 8.021 0.004 . 1 . . . . . 51 ALA H . 28085 1 283 . 1 . 1 51 51 ALA HA H 1 4.221 0.000 . 1 . . . . . 51 ALA HA . 28085 1 284 . 1 . 1 51 51 ALA C C 13 177.510 0.001 . 1 . . . . . 51 ALA C . 28085 1 285 . 1 . 1 51 51 ALA CA C 13 52.511 0.019 . 1 . . . . . 51 ALA CA . 28085 1 286 . 1 . 1 51 51 ALA CB C 13 18.651 0.005 . 1 . . . . . 51 ALA CB . 28085 1 287 . 1 . 1 51 51 ALA N N 15 121.663 0.006 . 1 . . . . . 51 ALA N . 28085 1 288 . 1 . 1 52 52 HIS H H 1 8.146 0.001 . 1 . . . . . 52 HIS H . 28085 1 289 . 1 . 1 52 52 HIS HA H 1 4.663 0.000 . 1 . . . . . 52 HIS HA . 28085 1 290 . 1 . 1 52 52 HIS C C 13 174.499 0.012 . 1 . . . . . 52 HIS C . 28085 1 291 . 1 . 1 52 52 HIS CA C 13 55.294 0.074 . 1 . . . . . 52 HIS CA . 28085 1 292 . 1 . 1 52 52 HIS CB C 13 29.179 0.036 . 1 . . . . . 52 HIS CB . 28085 1 293 . 1 . 1 52 52 HIS N N 15 117.060 0.006 . 1 . . . . . 52 HIS N . 28085 1 294 . 1 . 1 53 53 ARG H H 1 8.192 0.004 . 1 . . . . . 53 ARG H . 28085 1 295 . 1 . 1 53 53 ARG HA H 1 4.223 0.000 . 1 . . . . . 53 ARG HA . 28085 1 296 . 1 . 1 53 53 ARG C C 13 175.829 0.013 . 1 . . . . . 53 ARG C . 28085 1 297 . 1 . 1 53 53 ARG CA C 13 55.913 0.024 . 1 . . . . . 53 ARG CA . 28085 1 298 . 1 . 1 53 53 ARG CB C 13 30.535 0.041 . 1 . . . . . 53 ARG CB . 28085 1 299 . 1 . 1 53 53 ARG N N 15 122.120 0.002 . 1 . . . . . 53 ARG N . 28085 1 300 . 1 . 1 54 54 LYS H H 1 8.408 0.003 . 1 . . . . . 54 LYS H . 28085 1 301 . 1 . 1 54 54 LYS HA H 1 4.325 0.000 . 1 . . . . . 54 LYS HA . 28085 1 302 . 1 . 1 54 54 LYS C C 13 176.127 0.009 . 1 . . . . . 54 LYS C . 28085 1 303 . 1 . 1 54 54 LYS CA C 13 56.072 0.021 . 1 . . . . . 54 LYS CA . 28085 1 304 . 1 . 1 54 54 LYS CB C 13 32.771 0.044 . 1 . . . . . 54 LYS CB . 28085 1 305 . 1 . 1 54 54 LYS N N 15 123.081 0.003 . 1 . . . . . 54 LYS N . 28085 1 306 . 1 . 1 55 55 SER H H 1 8.321 0.002 . 1 . . . . . 55 SER H . 28085 1 307 . 1 . 1 55 55 SER HA H 1 4.390 0.000 . 1 . . . . . 55 SER HA . 28085 1 308 . 1 . 1 55 55 SER C C 13 173.579 0.002 . 1 . . . . . 55 SER C . 28085 1 309 . 1 . 1 55 55 SER CA C 13 57.817 0.009 . 1 . . . . . 55 SER CA . 28085 1 310 . 1 . 1 55 55 SER CB C 13 63.520 0.076 . 1 . . . . . 55 SER CB . 28085 1 311 . 1 . 1 55 55 SER N N 15 117.305 0.005 . 1 . . . . . 55 SER N . 28085 1 312 . 1 . 1 56 56 GLU H H 1 8.349 0.002 . 1 . . . . . 56 GLU H . 28085 1 313 . 1 . 1 56 56 GLU HA H 1 4.623 0.000 . 1 . . . . . 56 GLU HA . 28085 1 314 . 1 . 1 56 56 GLU C C 13 173.442 0.000 . 1 . . . . . 56 GLU C . 28085 1 315 . 1 . 1 56 56 GLU CA C 13 53.894 0.000 . 1 . . . . . 56 GLU CA . 28085 1 316 . 1 . 1 56 56 GLU CB C 13 29.295 0.000 . 1 . . . . . 56 GLU CB . 28085 1 317 . 1 . 1 56 56 GLU N N 15 124.018 0.003 . 1 . . . . . 56 GLU N . 28085 1 318 . 1 . 1 57 57 PRO HA H 1 4.699 0.000 . 1 . . . . . 57 PRO HA . 28085 1 319 . 1 . 1 57 57 PRO CA C 13 61.036 0.000 . 1 . . . . . 57 PRO CA . 28085 1 320 . 1 . 1 58 58 PRO HA H 1 4.704 0.000 . 1 . . . . . 58 PRO HA . 28085 1 321 . 1 . 1 58 58 PRO CA C 13 60.970 0.000 . 1 . . . . . 58 PRO CA . 28085 1 322 . 1 . 1 59 59 PRO HA H 1 4.397 0.000 . 1 . . . . . 59 PRO HA . 28085 1 323 . 1 . 1 59 59 PRO C C 13 176.804 0.000 . 1 . . . . . 59 PRO C . 28085 1 324 . 1 . 1 59 59 PRO CA C 13 62.835 0.000 . 1 . . . . . 59 PRO CA . 28085 1 325 . 1 . 1 59 59 PRO CB C 13 31.657 0.000 . 1 . . . . . 59 PRO CB . 28085 1 326 . 1 . 1 60 60 GLU H H 1 8.666 0.001 . 1 . . . . . 60 GLU H . 28085 1 327 . 1 . 1 60 60 GLU HA H 1 4.253 0.000 . 1 . . . . . 60 GLU HA . 28085 1 328 . 1 . 1 60 60 GLU C C 13 176.366 0.002 . 1 . . . . . 60 GLU C . 28085 1 329 . 1 . 1 60 60 GLU CA C 13 56.498 0.024 . 1 . . . . . 60 GLU CA . 28085 1 330 . 1 . 1 60 60 GLU CB C 13 29.624 0.040 . 1 . . . . . 60 GLU CB . 28085 1 331 . 1 . 1 60 60 GLU N N 15 120.563 0.001 . 1 . . . . . 60 GLU N . 28085 1 332 . 1 . 1 61 61 THR H H 1 8.130 0.002 . 1 . . . . . 61 THR H . 28085 1 333 . 1 . 1 61 61 THR HA H 1 4.263 0.000 . 1 . . . . . 61 THR HA . 28085 1 334 . 1 . 1 61 61 THR C C 13 173.745 0.008 . 1 . . . . . 61 THR C . 28085 1 335 . 1 . 1 61 61 THR CA C 13 61.655 0.002 . 1 . . . . . 61 THR CA . 28085 1 336 . 1 . 1 61 61 THR CB C 13 69.501 0.024 . 1 . . . . . 61 THR CB . 28085 1 337 . 1 . 1 61 61 THR N N 15 115.308 0.068 . 1 . . . . . 61 THR N . 28085 1 338 . 1 . 1 62 62 LEU H H 1 8.124 0.001 . 1 . . . . . 62 LEU H . 28085 1 339 . 1 . 1 62 62 LEU HA H 1 4.311 0.000 . 1 . . . . . 62 LEU HA . 28085 1 340 . 1 . 1 62 62 LEU C C 13 176.474 0.000 . 1 . . . . . 62 LEU C . 28085 1 341 . 1 . 1 62 62 LEU CA C 13 54.711 0.028 . 1 . . . . . 62 LEU CA . 28085 1 342 . 1 . 1 62 62 LEU CB C 13 42.065 0.014 . 1 . . . . . 62 LEU CB . 28085 1 343 . 1 . 1 62 62 LEU N N 15 124.641 0.002 . 1 . . . . . 62 LEU N . 28085 1 344 . 1 . 1 63 63 TYR H H 1 8.115 0.002 . 1 . . . . . 63 TYR H . 28085 1 345 . 1 . 1 63 63 TYR HA H 1 4.236 0.000 . 1 . . . . . 63 TYR HA . 28085 1 346 . 1 . 1 63 63 TYR C C 13 174.996 0.000 . 1 . . . . . 63 TYR C . 28085 1 347 . 1 . 1 63 63 TYR CA C 13 57.369 0.013 . 1 . . . . . 63 TYR CA . 28085 1 348 . 1 . 1 63 63 TYR CB C 13 38.558 0.014 . 1 . . . . . 63 TYR CB . 28085 1 349 . 1 . 1 63 63 TYR N N 15 120.725 0.005 . 1 . . . . . 63 TYR N . 28085 1 350 . 1 . 1 64 64 ASP H H 1 8.240 0.001 . 1 . . . . . 64 ASP H . 28085 1 351 . 1 . 1 64 64 ASP HA H 1 4.679 0.000 . 1 . . . . . 64 ASP HA . 28085 1 352 . 1 . 1 64 64 ASP C C 13 175.931 0.002 . 1 . . . . . 64 ASP C . 28085 1 353 . 1 . 1 64 64 ASP CA C 13 53.469 0.058 . 1 . . . . . 64 ASP CA . 28085 1 354 . 1 . 1 64 64 ASP CB C 13 41.006 0.057 . 1 . . . . . 64 ASP CB . 28085 1 355 . 1 . 1 64 64 ASP N N 15 122.654 0.009 . 1 . . . . . 64 ASP N . 28085 1 356 . 1 . 1 65 65 SER H H 1 8.345 0.001 . 1 . . . . . 65 SER H . 28085 1 357 . 1 . 1 65 65 SER HA H 1 4.358 0.000 . 1 . . . . . 65 SER HA . 28085 1 358 . 1 . 1 65 65 SER C C 13 174.997 0.009 . 1 . . . . . 65 SER C . 28085 1 359 . 1 . 1 65 65 SER CA C 13 58.640 0.009 . 1 . . . . . 65 SER CA . 28085 1 360 . 1 . 1 65 65 SER CB C 13 63.290 0.016 . 1 . . . . . 65 SER CB . 28085 1 361 . 1 . 1 65 65 SER N N 15 117.552 0.013 . 1 . . . . . 65 SER N . 28085 1 362 . 1 . 1 66 66 GLY H H 1 8.492 0.002 . 1 . . . . . 66 GLY H . 28085 1 363 . 1 . 1 66 66 GLY HA2 H 1 3.957 0.000 . 1 . . . . . 66 GLY HA2 . 28085 1 364 . 1 . 1 66 66 GLY HA3 H 1 3.957 0.000 . 1 . . . . . 66 GLY HA3 . 28085 1 365 . 1 . 1 66 66 GLY C C 13 173.630 0.004 . 1 . . . . . 66 GLY C . 28085 1 366 . 1 . 1 66 66 GLY CA C 13 45.044 0.024 . 1 . . . . . 66 GLY CA . 28085 1 367 . 1 . 1 66 66 GLY N N 15 110.795 0.009 . 1 . . . . . 66 GLY N . 28085 1 368 . 1 . 1 67 67 ALA H H 1 7.958 0.003 . 1 . . . . . 67 ALA H . 28085 1 369 . 1 . 1 67 67 ALA HA H 1 4.341 0.000 . 1 . . . . . 67 ALA HA . 28085 1 370 . 1 . 1 67 67 ALA C C 13 177.392 0.002 . 1 . . . . . 67 ALA C . 28085 1 371 . 1 . 1 67 67 ALA CA C 13 52.033 0.023 . 1 . . . . . 67 ALA CA . 28085 1 372 . 1 . 1 67 67 ALA CB C 13 19.015 0.053 . 1 . . . . . 67 ALA CB . 28085 1 373 . 1 . 1 67 67 ALA N N 15 123.399 0.004 . 1 . . . . . 67 ALA N . 28085 1 374 . 1 . 1 68 68 SER H H 1 8.310 0.001 . 1 . . . . . 68 SER H . 28085 1 375 . 1 . 1 68 68 SER HA H 1 4.477 0.000 . 1 . . . . . 68 SER HA . 28085 1 376 . 1 . 1 68 68 SER C C 13 174.197 0.000 . 1 . . . . . 68 SER C . 28085 1 377 . 1 . 1 68 68 SER CA C 13 57.885 0.055 . 1 . . . . . 68 SER CA . 28085 1 378 . 1 . 1 68 68 SER CB C 13 63.512 0.069 . 1 . . . . . 68 SER CB . 28085 1 379 . 1 . 1 68 68 SER N N 15 115.281 0.003 . 1 . . . . . 68 SER N . 28085 1 380 . 1 . 1 69 69 VAL H H 1 8.114 0.002 . 1 . . . . . 69 VAL H . 28085 1 381 . 1 . 1 69 69 VAL HA H 1 4.254 0.000 . 1 . . . . . 69 VAL HA . 28085 1 382 . 1 . 1 69 69 VAL C C 13 175.545 0.000 . 1 . . . . . 69 VAL C . 28085 1 383 . 1 . 1 69 69 VAL CA C 13 61.552 0.010 . 1 . . . . . 69 VAL CA . 28085 1 384 . 1 . 1 69 69 VAL CB C 13 32.817 0.026 . 1 . . . . . 69 VAL CB . 28085 1 385 . 1 . 1 69 69 VAL N N 15 120.802 0.002 . 1 . . . . . 69 VAL N . 28085 1 386 . 1 . 1 70 70 ASP H H 1 8.424 0.003 . 1 . . . . . 70 ASP H . 28085 1 387 . 1 . 1 70 70 ASP HA H 1 4.690 0.000 . 1 . . . . . 70 ASP HA . 28085 1 388 . 1 . 1 70 70 ASP C C 13 176.534 0.008 . 1 . . . . . 70 ASP C . 28085 1 389 . 1 . 1 70 70 ASP CA C 13 53.450 0.067 . 1 . . . . . 70 ASP CA . 28085 1 390 . 1 . 1 70 70 ASP CB C 13 40.939 0.025 . 1 . . . . . 70 ASP CB . 28085 1 391 . 1 . 1 70 70 ASP N N 15 123.669 0.002 . 1 . . . . . 70 ASP N . 28085 1 392 . 1 . 1 71 71 SER H H 1 8.418 0.003 . 1 . . . . . 71 SER H . 28085 1 393 . 1 . 1 71 71 SER HA H 1 4.423 0.000 . 1 . . . . . 71 SER HA . 28085 1 394 . 1 . 1 71 71 SER C C 13 174.772 0.007 . 1 . . . . . 71 SER C . 28085 1 395 . 1 . 1 71 71 SER CA C 13 58.603 0.012 . 1 . . . . . 71 SER CA . 28085 1 396 . 1 . 1 71 71 SER CB C 13 63.248 0.025 . 1 . . . . . 71 SER CB . 28085 1 397 . 1 . 1 71 71 SER N N 15 116.956 0.002 . 1 . . . . . 71 SER N . 28085 1 398 . 1 . 1 72 72 SER H H 1 8.406 0.002 . 1 . . . . . 72 SER H . 28085 1 399 . 1 . 1 72 72 SER HA H 1 4.430 0.000 . 1 . . . . . 72 SER HA . 28085 1 400 . 1 . 1 72 72 SER C C 13 174.691 0.028 . 1 . . . . . 72 SER C . 28085 1 401 . 1 . 1 72 72 SER CA C 13 58.709 0.017 . 1 . . . . . 72 SER CA . 28085 1 402 . 1 . 1 72 72 SER CB C 13 63.479 0.052 . 1 . . . . . 72 SER CB . 28085 1 403 . 1 . 1 72 72 SER N N 15 117.798 0.003 . 1 . . . . . 72 SER N . 28085 1 404 . 1 . 1 73 73 GLY H H 1 8.307 0.003 . 1 . . . . . 73 GLY H . 28085 1 405 . 1 . 1 73 73 GLY HA2 H 1 3.918 0.000 . 1 . . . . . 73 GLY HA2 . 28085 1 406 . 1 . 1 73 73 GLY HA3 H 1 3.918 0.000 . 1 . . . . . 73 GLY HA3 . 28085 1 407 . 1 . 1 73 73 GLY C C 13 173.717 0.011 . 1 . . . . . 73 GLY C . 28085 1 408 . 1 . 1 73 73 GLY CA C 13 45.022 0.018 . 1 . . . . . 73 GLY CA . 28085 1 409 . 1 . 1 73 73 GLY N N 15 109.991 0.002 . 1 . . . . . 73 GLY N . 28085 1 410 . 1 . 1 74 74 HIS H H 1 8.268 0.005 . 1 . . . . . 74 HIS H . 28085 1 411 . 1 . 1 74 74 HIS C C 13 174.315 0.031 . 1 . . . . . 74 HIS C . 28085 1 412 . 1 . 1 74 74 HIS CA C 13 54.941 0.078 . 1 . . . . . 74 HIS CA . 28085 1 413 . 1 . 1 74 74 HIS CB C 13 29.135 0.038 . 1 . . . . . 74 HIS CB . 28085 1 414 . 1 . 1 74 74 HIS N N 15 118.487 0.002 . 1 . . . . . 74 HIS N . 28085 1 415 . 1 . 1 75 75 THR H H 1 8.313 0.002 . 1 . . . . . 75 THR H . 28085 1 416 . 1 . 1 75 75 THR HA H 1 4.394 0.000 . 1 . . . . . 75 THR HA . 28085 1 417 . 1 . 1 75 75 THR C C 13 174.064 0.004 . 1 . . . . . 75 THR C . 28085 1 418 . 1 . 1 75 75 THR CA C 13 61.927 0.011 . 1 . . . . . 75 THR CA . 28085 1 419 . 1 . 1 75 75 THR CB C 13 69.540 0.006 . 1 . . . . . 75 THR CB . 28085 1 420 . 1 . 1 75 75 THR N N 15 116.730 0.107 . 1 . . . . . 75 THR N . 28085 1 421 . 1 . 1 76 76 VAL H H 1 8.307 0.004 . 1 . . . . . 76 VAL H . 28085 1 422 . 1 . 1 76 76 VAL HA H 1 4.119 0.000 . 1 . . . . . 76 VAL HA . 28085 1 423 . 1 . 1 76 76 VAL C C 13 175.542 0.006 . 1 . . . . . 76 VAL C . 28085 1 424 . 1 . 1 76 76 VAL CA C 13 62.118 0.000 . 1 . . . . . 76 VAL CA . 28085 1 425 . 1 . 1 76 76 VAL CB C 13 32.463 0.009 . 1 . . . . . 76 VAL CB . 28085 1 426 . 1 . 1 76 76 VAL N N 15 123.514 0.015 . 1 . . . . . 76 VAL N . 28085 1 427 . 1 . 1 77 77 MET H H 1 8.423 0.003 . 1 . . . . . 77 MET H . 28085 1 428 . 1 . 1 77 77 MET HA H 1 4.504 0.000 . 1 . . . . . 77 MET HA . 28085 1 429 . 1 . 1 77 77 MET C C 13 175.595 0.002 . 1 . . . . . 77 MET C . 28085 1 430 . 1 . 1 77 77 MET CA C 13 54.885 0.028 . 1 . . . . . 77 MET CA . 28085 1 431 . 1 . 1 77 77 MET CB C 13 32.497 0.019 . 1 . . . . . 77 MET CB . 28085 1 432 . 1 . 1 77 77 MET N N 15 124.338 0.002 . 1 . . . . . 77 MET N . 28085 1 433 . 1 . 1 78 78 GLU H H 1 8.372 0.002 . 1 . . . . . 78 GLU H . 28085 1 434 . 1 . 1 78 78 GLU HA H 1 4.253 0.000 . 1 . . . . . 78 GLU HA . 28085 1 435 . 1 . 1 78 78 GLU C C 13 175.543 0.005 . 1 . . . . . 78 GLU C . 28085 1 436 . 1 . 1 78 78 GLU CA C 13 56.168 0.066 . 1 . . . . . 78 GLU CA . 28085 1 437 . 1 . 1 78 78 GLU CB C 13 30.204 0.072 . 1 . . . . . 78 GLU CB . 28085 1 438 . 1 . 1 78 78 GLU N N 15 122.748 0.010 . 1 . . . . . 78 GLU N . 28085 1 439 . 1 . 1 79 79 LYS H H 1 8.301 0.001 . 1 . . . . . 79 LYS H . 28085 1 440 . 1 . 1 79 79 LYS HA H 1 4.334 0.000 . 1 . . . . . 79 LYS HA . 28085 1 441 . 1 . 1 79 79 LYS C C 13 175.756 0.002 . 1 . . . . . 79 LYS C . 28085 1 442 . 1 . 1 79 79 LYS CA C 13 55.554 0.030 . 1 . . . . . 79 LYS CA . 28085 1 443 . 1 . 1 79 79 LYS CB C 13 32.695 0.022 . 1 . . . . . 79 LYS CB . 28085 1 444 . 1 . 1 79 79 LYS N N 15 122.528 0.005 . 1 . . . . . 79 LYS N . 28085 1 445 . 1 . 1 80 80 LEU H H 1 8.346 0.002 . 1 . . . . . 80 LEU H . 28085 1 446 . 1 . 1 80 80 LEU HA H 1 4.614 0.000 . 1 . . . . . 80 LEU HA . 28085 1 447 . 1 . 1 80 80 LEU C C 13 175.102 0.000 . 1 . . . . . 80 LEU C . 28085 1 448 . 1 . 1 80 80 LEU CA C 13 52.710 0.029 . 1 . . . . . 80 LEU CA . 28085 1 449 . 1 . 1 80 80 LEU CB C 13 41.283 0.000 . 1 . . . . . 80 LEU CB . 28085 1 450 . 1 . 1 80 80 LEU N N 15 125.343 0.003 . 1 . . . . . 80 LEU N . 28085 1 451 . 1 . 1 81 81 PRO HA H 1 4.398 0.000 . 1 . . . . . 81 PRO HA . 28085 1 452 . 1 . 1 81 81 PRO C C 13 176.577 0.000 . 1 . . . . . 81 PRO C . 28085 1 453 . 1 . 1 81 81 PRO CA C 13 62.866 0.000 . 1 . . . . . 81 PRO CA . 28085 1 454 . 1 . 1 81 81 PRO CB C 13 31.694 0.000 . 1 . . . . . 81 PRO CB . 28085 1 455 . 1 . 1 82 82 SER H H 1 8.400 0.003 . 1 . . . . . 82 SER H . 28085 1 456 . 1 . 1 82 82 SER HA H 1 4.407 0.000 . 1 . . . . . 82 SER HA . 28085 1 457 . 1 . 1 82 82 SER C C 13 174.978 0.019 . 1 . . . . . 82 SER C . 28085 1 458 . 1 . 1 82 82 SER CA C 13 58.189 0.016 . 1 . . . . . 82 SER CA . 28085 1 459 . 1 . 1 82 82 SER CB C 13 63.575 0.021 . 1 . . . . . 82 SER CB . 28085 1 460 . 1 . 1 82 82 SER N N 15 115.797 0.003 . 1 . . . . . 82 SER N . 28085 1 461 . 1 . 1 83 83 GLY H H 1 8.552 0.002 . 1 . . . . . 83 GLY H . 28085 1 462 . 1 . 1 83 83 GLY HA2 H 1 3.996 0.000 . 1 . . . . . 83 GLY HA2 . 28085 1 463 . 1 . 1 83 83 GLY HA3 H 1 3.996 0.000 . 1 . . . . . 83 GLY HA3 . 28085 1 464 . 1 . 1 83 83 GLY C C 13 173.897 0.001 . 1 . . . . . 83 GLY C . 28085 1 465 . 1 . 1 83 83 GLY CA C 13 45.100 0.038 . 1 . . . . . 83 GLY CA . 28085 1 466 . 1 . 1 83 83 GLY N N 15 111.146 0.005 . 1 . . . . . 83 GLY N . 28085 1 467 . 1 . 1 84 84 MET H H 1 8.097 0.010 . 1 . . . . . 84 MET H . 28085 1 468 . 1 . 1 84 84 MET HA H 1 4.505 0.000 . 1 . . . . . 84 MET HA . 28085 1 469 . 1 . 1 84 84 MET C C 13 175.667 0.010 . 1 . . . . . 84 MET C . 28085 1 470 . 1 . 1 84 84 MET CA C 13 55.073 0.004 . 1 . . . . . 84 MET CA . 28085 1 471 . 1 . 1 84 84 MET CB C 13 32.675 0.019 . 1 . . . . . 84 MET CB . 28085 1 472 . 1 . 1 84 84 MET N N 15 119.477 0.007 . 1 . . . . . 84 MET N . 28085 1 473 . 1 . 1 85 85 GLU H H 1 8.518 0.001 . 1 . . . . . 85 GLU H . 28085 1 474 . 1 . 1 85 85 GLU HA H 1 4.294 0.000 . 1 . . . . . 85 GLU HA . 28085 1 475 . 1 . 1 85 85 GLU C C 13 175.976 0.000 . 1 . . . . . 85 GLU C . 28085 1 476 . 1 . 1 85 85 GLU CA C 13 56.353 0.017 . 1 . . . . . 85 GLU CA . 28085 1 477 . 1 . 1 85 85 GLU CB C 13 29.716 0.023 . 1 . . . . . 85 GLU CB . 28085 1 478 . 1 . 1 85 85 GLU N N 15 122.136 0.004 . 1 . . . . . 85 GLU N . 28085 1 479 . 1 . 1 86 86 ILE H H 1 8.146 0.001 . 1 . . . . . 86 ILE H . 28085 1 480 . 1 . 1 86 86 ILE HA H 1 4.145 0.000 . 1 . . . . . 86 ILE HA . 28085 1 481 . 1 . 1 86 86 ILE C C 13 175.584 0.002 . 1 . . . . . 86 ILE C . 28085 1 482 . 1 . 1 86 86 ILE CA C 13 60.701 0.020 . 1 . . . . . 86 ILE CA . 28085 1 483 . 1 . 1 86 86 ILE CB C 13 38.543 0.019 . 1 . . . . . 86 ILE CB . 28085 1 484 . 1 . 1 86 86 ILE N N 15 121.788 0.004 . 1 . . . . . 86 ILE N . 28085 1 485 . 1 . 1 87 87 SER H H 1 8.220 0.002 . 1 . . . . . 87 SER H . 28085 1 486 . 1 . 1 87 87 SER HA H 1 4.434 0.000 . 1 . . . . . 87 SER HA . 28085 1 487 . 1 . 1 87 87 SER C C 13 173.518 0.001 . 1 . . . . . 87 SER C . 28085 1 488 . 1 . 1 87 87 SER CA C 13 57.580 0.114 . 1 . . . . . 87 SER CA . 28085 1 489 . 1 . 1 87 87 SER CB C 13 63.574 0.033 . 1 . . . . . 87 SER CB . 28085 1 490 . 1 . 1 87 87 SER N N 15 119.420 0.009 . 1 . . . . . 87 SER N . 28085 1 491 . 1 . 1 88 88 PHE H H 1 8.234 0.003 . 1 . . . . . 88 PHE H . 28085 1 492 . 1 . 1 88 88 PHE HA H 1 4.609 0.000 . 1 . . . . . 88 PHE HA . 28085 1 493 . 1 . 1 88 88 PHE C C 13 174.488 0.006 . 1 . . . . . 88 PHE C . 28085 1 494 . 1 . 1 88 88 PHE CA C 13 57.024 0.006 . 1 . . . . . 88 PHE CA . 28085 1 495 . 1 . 1 88 88 PHE CB C 13 39.325 0.059 . 1 . . . . . 88 PHE CB . 28085 1 496 . 1 . 1 88 88 PHE N N 15 122.574 0.003 . 1 . . . . . 88 PHE N . 28085 1 497 . 1 . 1 89 89 ALA H H 1 8.160 0.001 . 1 . . . . . 89 ALA H . 28085 1 498 . 1 . 1 89 89 ALA HA H 1 4.575 0.000 . 1 . . . . . 89 ALA HA . 28085 1 499 . 1 . 1 89 89 ALA C C 13 174.559 0.000 . 1 . . . . . 89 ALA C . 28085 1 500 . 1 . 1 89 89 ALA CA C 13 49.909 0.037 . 1 . . . . . 89 ALA CA . 28085 1 501 . 1 . 1 89 89 ALA CB C 13 18.038 0.000 . 1 . . . . . 89 ALA CB . 28085 1 502 . 1 . 1 89 89 ALA N N 15 127.143 0.006 . 1 . . . . . 89 ALA N . 28085 1 503 . 1 . 1 90 90 PRO HA H 1 4.392 0.000 . 1 . . . . . 90 PRO HA . 28085 1 504 . 1 . 1 90 90 PRO C C 13 176.411 0.000 . 1 . . . . . 90 PRO C . 28085 1 505 . 1 . 1 90 90 PRO CA C 13 62.624 0.000 . 1 . . . . . 90 PRO CA . 28085 1 506 . 1 . 1 90 90 PRO CB C 13 31.806 0.000 . 1 . . . . . 90 PRO CB . 28085 1 507 . 1 . 1 91 91 ALA H H 1 8.470 0.001 . 1 . . . . . 91 ALA H . 28085 1 508 . 1 . 1 91 91 ALA HA H 1 4.354 0.000 . 1 . . . . . 91 ALA HA . 28085 1 509 . 1 . 1 91 91 ALA C C 13 177.707 0.006 . 1 . . . . . 91 ALA C . 28085 1 510 . 1 . 1 91 91 ALA CA C 13 52.252 0.006 . 1 . . . . . 91 ALA CA . 28085 1 511 . 1 . 1 91 91 ALA CB C 13 18.766 0.000 . 1 . . . . . 91 ALA CB . 28085 1 512 . 1 . 1 91 91 ALA N N 15 124.328 0.001 . 1 . . . . . 91 ALA N . 28085 1 513 . 1 . 1 92 92 THR H H 1 8.100 0.002 . 1 . . . . . 92 THR H . 28085 1 514 . 1 . 1 92 92 THR HA H 1 4.341 0.000 . 1 . . . . . 92 THR HA . 28085 1 515 . 1 . 1 92 92 THR C C 13 174.146 0.004 . 1 . . . . . 92 THR C . 28085 1 516 . 1 . 1 92 92 THR CA C 13 61.187 0.006 . 1 . . . . . 92 THR CA . 28085 1 517 . 1 . 1 92 92 THR CB C 13 69.564 0.000 . 1 . . . . . 92 THR CB . 28085 1 518 . 1 . 1 92 92 THR N N 15 112.884 0.001 . 1 . . . . . 92 THR N . 28085 1 519 . 1 . 1 93 93 SER H H 1 8.263 0.003 . 1 . . . . . 93 SER H . 28085 1 520 . 1 . 1 93 93 SER HA H 1 4.438 0.000 . 1 . . . . . 93 SER HA . 28085 1 521 . 1 . 1 93 93 SER C C 13 173.942 0.001 . 1 . . . . . 93 SER C . 28085 1 522 . 1 . 1 93 93 SER CA C 13 57.909 0.038 . 1 . . . . . 93 SER CA . 28085 1 523 . 1 . 1 93 93 SER CB C 13 63.595 0.003 . 1 . . . . . 93 SER CB . 28085 1 524 . 1 . 1 93 93 SER N N 15 117.659 0.007 . 1 . . . . . 93 SER N . 28085 1 525 . 1 . 1 94 94 HIS H H 1 8.538 0.003 . 1 . . . . . 94 HIS H . 28085 1 526 . 1 . 1 94 94 HIS HA H 1 4.560 0.000 . 1 . . . . . 94 HIS HA . 28085 1 527 . 1 . 1 94 94 HIS C C 13 174.145 0.055 . 1 . . . . . 94 HIS C . 28085 1 528 . 1 . 1 94 94 HIS CA C 13 55.148 0.058 . 1 . . . . . 94 HIS CA . 28085 1 529 . 1 . 1 94 94 HIS CB C 13 28.855 0.065 . 1 . . . . . 94 HIS CB . 28085 1 530 . 1 . 1 94 94 HIS N N 15 120.618 0.054 . 1 . . . . . 94 HIS N . 28085 1 531 . 1 . 1 95 95 GLU H H 1 8.358 0.002 . 1 . . . . . 95 GLU H . 28085 1 532 . 1 . 1 95 95 GLU HA H 1 4.255 0.000 . 1 . . . . . 95 GLU HA . 28085 1 533 . 1 . 1 95 95 GLU C C 13 175.312 0.001 . 1 . . . . . 95 GLU C . 28085 1 534 . 1 . 1 95 95 GLU CA C 13 55.962 0.070 . 1 . . . . . 95 GLU CA . 28085 1 535 . 1 . 1 95 95 GLU CB C 13 30.017 0.042 . 1 . . . . . 95 GLU CB . 28085 1 536 . 1 . 1 95 95 GLU N N 15 122.001 0.005 . 1 . . . . . 95 GLU N . 28085 1 537 . 1 . 1 96 96 ALA H H 1 8.384 0.003 . 1 . . . . . 96 ALA H . 28085 1 538 . 1 . 1 96 96 ALA HA H 1 4.589 0.000 . 1 . . . . . 96 ALA HA . 28085 1 539 . 1 . 1 96 96 ALA C C 13 174.992 0.000 . 1 . . . . . 96 ALA C . 28085 1 540 . 1 . 1 96 96 ALA CA C 13 50.127 0.000 . 1 . . . . . 96 ALA CA . 28085 1 541 . 1 . 1 96 96 ALA CB C 13 17.772 0.000 . 1 . . . . . 96 ALA CB . 28085 1 542 . 1 . 1 96 96 ALA N N 15 126.830 0.005 . 1 . . . . . 96 ALA N . 28085 1 543 . 1 . 1 97 97 PRO HA H 1 4.394 0.000 . 1 . . . . . 97 PRO HA . 28085 1 544 . 1 . 1 97 97 PRO C C 13 176.307 0.000 . 1 . . . . . 97 PRO C . 28085 1 545 . 1 . 1 97 97 PRO CA C 13 62.678 0.000 . 1 . . . . . 97 PRO CA . 28085 1 546 . 1 . 1 97 97 PRO CB C 13 31.677 0.000 . 1 . . . . . 97 PRO CB . 28085 1 547 . 1 . 1 98 98 ALA H H 1 8.366 0.002 . 1 . . . . . 98 ALA H . 28085 1 548 . 1 . 1 98 98 ALA HA H 1 4.292 0.000 . 1 . . . . . 98 ALA HA . 28085 1 549 . 1 . 1 98 98 ALA C C 13 177.455 0.001 . 1 . . . . . 98 ALA C . 28085 1 550 . 1 . 1 98 98 ALA CA C 13 52.030 0.017 . 1 . . . . . 98 ALA CA . 28085 1 551 . 1 . 1 98 98 ALA CB C 13 18.893 0.007 . 1 . . . . . 98 ALA CB . 28085 1 552 . 1 . 1 98 98 ALA N N 15 124.032 0.001 . 1 . . . . . 98 ALA N . 28085 1 553 . 1 . 1 99 99 MET H H 1 8.329 0.002 . 1 . . . . . 99 MET H . 28085 1 554 . 1 . 1 99 99 MET HA H 1 4.441 0.000 . 1 . . . . . 99 MET HA . 28085 1 555 . 1 . 1 99 99 MET C C 13 175.923 0.001 . 1 . . . . . 99 MET C . 28085 1 556 . 1 . 1 99 99 MET CA C 13 55.008 0.072 . 1 . . . . . 99 MET CA . 28085 1 557 . 1 . 1 99 99 MET CB C 13 32.504 0.027 . 1 . . . . . 99 MET CB . 28085 1 558 . 1 . 1 99 99 MET N N 15 119.486 0.006 . 1 . . . . . 99 MET N . 28085 1 559 . 1 . 1 100 100 MET H H 1 8.357 0.002 . 1 . . . . . 100 MET H . 28085 1 560 . 1 . 1 100 100 MET C C 13 175.483 0.005 . 1 . . . . . 100 MET C . 28085 1 561 . 1 . 1 100 100 MET CA C 13 55.127 0.045 . 1 . . . . . 100 MET CA . 28085 1 562 . 1 . 1 100 100 MET CB C 13 32.626 0.017 . 1 . . . . . 100 MET CB . 28085 1 563 . 1 . 1 100 100 MET N N 15 121.879 0.001 . 1 . . . . . 100 MET N . 28085 1 564 . 1 . 1 101 101 ASP H H 1 8.363 0.001 . 1 . . . . . 101 ASP H . 28085 1 565 . 1 . 1 101 101 ASP HA H 1 4.503 0.000 . 1 . . . . . 101 ASP HA . 28085 1 566 . 1 . 1 101 101 ASP C C 13 175.885 0.020 . 1 . . . . . 101 ASP C . 28085 1 567 . 1 . 1 101 101 ASP CA C 13 53.943 0.004 . 1 . . . . . 101 ASP CA . 28085 1 568 . 1 . 1 101 101 ASP CB C 13 40.949 0.021 . 1 . . . . . 101 ASP CB . 28085 1 569 . 1 . 1 101 101 ASP N N 15 121.580 0.005 . 1 . . . . . 101 ASP N . 28085 1 570 . 1 . 1 102 102 SER H H 1 8.252 0.007 . 1 . . . . . 102 SER H . 28085 1 571 . 1 . 1 102 102 SER HA H 1 4.383 0.000 . 1 . . . . . 102 SER HA . 28085 1 572 . 1 . 1 102 102 SER C C 13 174.184 0.016 . 1 . . . . . 102 SER C . 28085 1 573 . 1 . 1 102 102 SER CA C 13 58.195 0.026 . 1 . . . . . 102 SER CA . 28085 1 574 . 1 . 1 102 102 SER CB C 13 63.285 0.000 . 1 . . . . . 102 SER CB . 28085 1 575 . 1 . 1 102 102 SER N N 15 116.565 0.005 . 1 . . . . . 102 SER N . 28085 1 576 . 1 . 1 103 103 HIS H H 1 8.556 0.006 . 1 . . . . . 103 HIS H . 28085 1 577 . 1 . 1 103 103 HIS C C 13 174.169 0.034 . 1 . . . . . 103 HIS C . 28085 1 578 . 1 . 1 103 103 HIS CA C 13 55.528 0.031 . 1 . . . . . 103 HIS CA . 28085 1 579 . 1 . 1 103 103 HIS CB C 13 28.543 0.069 . 1 . . . . . 103 HIS CB . 28085 1 580 . 1 . 1 103 103 HIS N N 15 120.598 0.002 . 1 . . . . . 103 HIS N . 28085 1 581 . 1 . 1 104 104 ILE H H 1 8.066 0.007 . 1 . . . . . 104 ILE H . 28085 1 582 . 1 . 1 104 104 ILE HA H 1 4.195 0.000 . 1 . . . . . 104 ILE HA . 28085 1 583 . 1 . 1 104 104 ILE C C 13 175.862 0.001 . 1 . . . . . 104 ILE C . 28085 1 584 . 1 . 1 104 104 ILE CA C 13 60.768 0.032 . 1 . . . . . 104 ILE CA . 28085 1 585 . 1 . 1 104 104 ILE CB C 13 38.471 0.076 . 1 . . . . . 104 ILE CB . 28085 1 586 . 1 . 1 104 104 ILE N N 15 121.982 0.003 . 1 . . . . . 104 ILE N . 28085 1 587 . 1 . 1 105 105 SER H H 1 8.492 0.003 . 1 . . . . . 105 SER H . 28085 1 588 . 1 . 1 105 105 SER HA H 1 4.521 0.000 . 1 . . . . . 105 SER HA . 28085 1 589 . 1 . 1 105 105 SER C C 13 174.263 0.005 . 1 . . . . . 105 SER C . 28085 1 590 . 1 . 1 105 105 SER CA C 13 57.722 0.012 . 1 . . . . . 105 SER CA . 28085 1 591 . 1 . 1 105 105 SER CB C 13 63.581 0.007 . 1 . . . . . 105 SER CB . 28085 1 592 . 1 . 1 105 105 SER N N 15 120.294 0.001 . 1 . . . . . 105 SER N . 28085 1 593 . 1 . 1 106 106 SER H H 1 8.435 0.000 . 1 . . . . . 106 SER H . 28085 1 594 . 1 . 1 106 106 SER C C 13 174.463 0.014 . 1 . . . . . 106 SER C . 28085 1 595 . 1 . 1 106 106 SER CA C 13 58.180 0.007 . 1 . . . . . 106 SER CA . 28085 1 596 . 1 . 1 106 106 SER CB C 13 63.493 0.006 . 1 . . . . . 106 SER CB . 28085 1 597 . 1 . 1 106 106 SER N N 15 118.301 0.000 . 1 . . . . . 106 SER N . 28085 1 598 . 1 . 1 107 107 SER H H 1 8.397 0.021 . 1 . . . . . 107 SER H . 28085 1 599 . 1 . 1 107 107 SER C C 13 174.051 0.000 . 1 . . . . . 107 SER C . 28085 1 600 . 1 . 1 107 107 SER CA C 13 58.010 0.058 . 1 . . . . . 107 SER CA . 28085 1 601 . 1 . 1 107 107 SER CB C 13 63.356 0.007 . 1 . . . . . 107 SER CB . 28085 1 602 . 1 . 1 107 107 SER N N 15 117.849 0.231 . 1 . . . . . 107 SER N . 28085 1 603 . 1 . 1 108 108 ASP H H 1 8.269 0.004 . 1 . . . . . 108 ASP H . 28085 1 604 . 1 . 1 108 108 ASP HA H 1 4.708 0.000 . 1 . . . . . 108 ASP HA . 28085 1 605 . 1 . 1 108 108 ASP C C 13 175.770 0.006 . 1 . . . . . 108 ASP C . 28085 1 606 . 1 . 1 108 108 ASP CA C 13 54.165 0.015 . 1 . . . . . 108 ASP CA . 28085 1 607 . 1 . 1 108 108 ASP CB C 13 40.778 0.027 . 1 . . . . . 108 ASP CB . 28085 1 608 . 1 . 1 108 108 ASP N N 15 122.490 0.002 . 1 . . . . . 108 ASP N . 28085 1 609 . 1 . 1 109 109 ALA H H 1 8.165 0.001 . 1 . . . . . 109 ALA H . 28085 1 610 . 1 . 1 109 109 ALA HA H 1 4.262 0.000 . 1 . . . . . 109 ALA HA . 28085 1 611 . 1 . 1 109 109 ALA C C 13 177.514 0.001 . 1 . . . . . 109 ALA C . 28085 1 612 . 1 . 1 109 109 ALA CA C 13 52.641 0.025 . 1 . . . . . 109 ALA CA . 28085 1 613 . 1 . 1 109 109 ALA CB C 13 18.689 0.003 . 1 . . . . . 109 ALA CB . 28085 1 614 . 1 . 1 109 109 ALA N N 15 124.237 0.003 . 1 . . . . . 109 ALA N . 28085 1 615 . 1 . 1 110 110 ALA H H 1 8.234 0.002 . 1 . . . . . 110 ALA H . 28085 1 616 . 1 . 1 110 110 ALA HA H 1 4.334 0.000 . 1 . . . . . 110 ALA HA . 28085 1 617 . 1 . 1 110 110 ALA C C 13 178.066 0.003 . 1 . . . . . 110 ALA C . 28085 1 618 . 1 . 1 110 110 ALA CA C 13 52.710 0.023 . 1 . . . . . 110 ALA CA . 28085 1 619 . 1 . 1 110 110 ALA CB C 13 18.631 0.002 . 1 . . . . . 110 ALA CB . 28085 1 620 . 1 . 1 110 110 ALA N N 15 122.626 0.001 . 1 . . . . . 110 ALA N . 28085 1 621 . 1 . 1 111 111 THR H H 1 8.007 0.003 . 1 . . . . . 111 THR H . 28085 1 622 . 1 . 1 111 111 THR HA H 1 4.259 0.000 . 1 . . . . . 111 THR HA . 28085 1 623 . 1 . 1 111 111 THR C C 13 174.719 0.004 . 1 . . . . . 111 THR C . 28085 1 624 . 1 . 1 111 111 THR CA C 13 62.179 0.052 . 1 . . . . . 111 THR CA . 28085 1 625 . 1 . 1 111 111 THR CB C 13 69.245 0.019 . 1 . . . . . 111 THR CB . 28085 1 626 . 1 . 1 111 111 THR N N 15 112.995 0.004 . 1 . . . . . 111 THR N . 28085 1 627 . 1 . 1 112 112 GLU H H 1 8.315 0.002 . 1 . . . . . 112 GLU H . 28085 1 628 . 1 . 1 112 112 GLU HA H 1 4.270 0.000 . 1 . . . . . 112 GLU HA . 28085 1 629 . 1 . 1 112 112 GLU C C 13 176.253 0.001 . 1 . . . . . 112 GLU C . 28085 1 630 . 1 . 1 112 112 GLU CA C 13 56.647 0.032 . 1 . . . . . 112 GLU CA . 28085 1 631 . 1 . 1 112 112 GLU CB C 13 29.790 0.028 . 1 . . . . . 112 GLU CB . 28085 1 632 . 1 . 1 112 112 GLU N N 15 123.047 0.002 . 1 . . . . . 112 GLU N . 28085 1 633 . 1 . 1 113 113 MET H H 1 8.291 0.003 . 1 . . . . . 113 MET H . 28085 1 634 . 1 . 1 113 113 MET HA H 1 4.438 0.000 . 1 . . . . . 113 MET HA . 28085 1 635 . 1 . 1 113 113 MET C C 13 175.972 0.007 . 1 . . . . . 113 MET C . 28085 1 636 . 1 . 1 113 113 MET CA C 13 55.456 0.072 . 1 . . . . . 113 MET CA . 28085 1 637 . 1 . 1 113 113 MET CB C 13 32.387 0.034 . 1 . . . . . 113 MET CB . 28085 1 638 . 1 . 1 113 113 MET N N 15 120.873 0.002 . 1 . . . . . 113 MET N . 28085 1 639 . 1 . 1 114 114 LEU H H 1 8.156 0.003 . 1 . . . . . 114 LEU H . 28085 1 640 . 1 . 1 114 114 LEU HA H 1 4.342 0.000 . 1 . . . . . 114 LEU HA . 28085 1 641 . 1 . 1 114 114 LEU C C 13 177.035 0.004 . 1 . . . . . 114 LEU C . 28085 1 642 . 1 . 1 114 114 LEU CA C 13 54.956 0.044 . 1 . . . . . 114 LEU CA . 28085 1 643 . 1 . 1 114 114 LEU CB C 13 41.961 0.005 . 1 . . . . . 114 LEU CB . 28085 1 644 . 1 . 1 114 114 LEU N N 15 122.780 0.006 . 1 . . . . . 114 LEU N . 28085 1 645 . 1 . 1 115 115 SER H H 1 8.173 0.003 . 1 . . . . . 115 SER H . 28085 1 646 . 1 . 1 115 115 SER HA H 1 4.453 0.000 . 1 . . . . . 115 SER HA . 28085 1 647 . 1 . 1 115 115 SER C C 13 173.712 0.025 . 1 . . . . . 115 SER C . 28085 1 648 . 1 . 1 115 115 SER CA C 13 57.822 0.074 . 1 . . . . . 115 SER CA . 28085 1 649 . 1 . 1 115 115 SER CB C 13 63.378 0.045 . 1 . . . . . 115 SER CB . 28085 1 650 . 1 . 1 115 115 SER N N 15 116.118 0.003 . 1 . . . . . 115 SER N . 28085 1 651 . 1 . 1 116 116 GLN H H 1 8.257 0.007 . 1 . . . . . 116 GLN H . 28085 1 652 . 1 . 1 116 116 GLN HA H 1 4.612 0.000 . 1 . . . . . 116 GLN HA . 28085 1 653 . 1 . 1 116 116 GLN C C 13 173.630 0.000 . 1 . . . . . 116 GLN C . 28085 1 654 . 1 . 1 116 116 GLN CA C 13 55.872 0.000 . 1 . . . . . 116 GLN CA . 28085 1 655 . 1 . 1 116 116 GLN CB C 13 32.417 0.000 . 1 . . . . . 116 GLN CB . 28085 1 656 . 1 . 1 116 116 GLN N N 15 122.628 0.003 . 1 . . . . . 116 GLN N . 28085 1 657 . 1 . 1 117 117 PRO HA H 1 4.448 0.000 . 1 . . . . . 117 PRO HA . 28085 1 658 . 1 . 1 117 117 PRO C C 13 176.241 0.000 . 1 . . . . . 117 PRO C . 28085 1 659 . 1 . 1 117 117 PRO CA C 13 62.904 0.000 . 1 . . . . . 117 PRO CA . 28085 1 660 . 1 . 1 117 117 PRO CB C 13 31.675 0.000 . 1 . . . . . 117 PRO CB . 28085 1 661 . 1 . 1 118 118 ASN H H 1 8.478 0.002 . 1 . . . . . 118 ASN H . 28085 1 662 . 1 . 1 118 118 ASN HA H 1 4.618 0.000 . 1 . . . . . 118 ASN HA . 28085 1 663 . 1 . 1 118 118 ASN C C 13 174.222 0.003 . 1 . . . . . 118 ASN C . 28085 1 664 . 1 . 1 118 118 ASN CA C 13 52.838 0.018 . 1 . . . . . 118 ASN CA . 28085 1 665 . 1 . 1 118 118 ASN CB C 13 38.461 0.005 . 1 . . . . . 118 ASN CB . 28085 1 666 . 1 . 1 118 118 ASN N N 15 118.314 0.005 . 1 . . . . . 118 ASN N . 28085 1 667 . 1 . 1 119 119 HIS H H 1 8.311 0.006 . 1 . . . . . 119 HIS H . 28085 1 668 . 1 . 1 119 119 HIS HA H 1 4.943 0.000 . 1 . . . . . 119 HIS HA . 28085 1 669 . 1 . 1 119 119 HIS C C 13 179.154 0.000 . 1 . . . . . 119 HIS C . 28085 1 670 . 1 . 1 119 119 HIS CA C 13 53.066 0.000 . 1 . . . . . 119 HIS CA . 28085 1 671 . 1 . 1 119 119 HIS CB C 13 28.846 0.000 . 1 . . . . . 119 HIS CB . 28085 1 672 . 1 . 1 119 119 HIS N N 15 119.746 0.005 . 1 . . . . . 119 HIS N . 28085 1 673 . 1 . 1 120 120 PRO HA H 1 4.482 0.000 . 1 . . . . . 120 PRO HA . 28085 1 674 . 1 . 1 120 120 PRO C C 13 176.751 0.000 . 1 . . . . . 120 PRO C . 28085 1 675 . 1 . 1 120 120 PRO CA C 13 63.016 0.041 . 1 . . . . . 120 PRO CA . 28085 1 676 . 1 . 1 120 120 PRO CB C 13 31.755 0.000 . 1 . . . . . 120 PRO CB . 28085 1 677 . 1 . 1 121 121 SER H H 1 8.620 0.002 . 1 . . . . . 121 SER H . 28085 1 678 . 1 . 1 121 121 SER HA H 1 4.452 0.000 . 1 . . . . . 121 SER HA . 28085 1 679 . 1 . 1 121 121 SER C C 13 174.824 0.006 . 1 . . . . . 121 SER C . 28085 1 680 . 1 . 1 121 121 SER CA C 13 58.280 0.014 . 1 . . . . . 121 SER CA . 28085 1 681 . 1 . 1 121 121 SER CB C 13 63.543 0.054 . 1 . . . . . 121 SER CB . 28085 1 682 . 1 . 1 121 121 SER N N 15 116.852 0.005 . 1 . . . . . 121 SER N . 28085 1 683 . 1 . 1 122 122 GLY H H 1 8.433 0.001 . 1 . . . . . 122 GLY H . 28085 1 684 . 1 . 1 122 122 GLY HA2 H 1 3.976 0.000 . 1 . . . . . 122 GLY HA2 . 28085 1 685 . 1 . 1 122 122 GLY HA3 H 1 3.976 0.000 . 1 . . . . . 122 GLY HA3 . 28085 1 686 . 1 . 1 122 122 GLY C C 13 173.570 0.004 . 1 . . . . . 122 GLY C . 28085 1 687 . 1 . 1 122 122 GLY CA C 13 44.872 0.009 . 1 . . . . . 122 GLY CA . 28085 1 688 . 1 . 1 122 122 GLY N N 15 110.821 0.002 . 1 . . . . . 122 GLY N . 28085 1 689 . 1 . 1 123 123 GLU H H 1 8.217 0.002 . 1 . . . . . 123 GLU H . 28085 1 690 . 1 . 1 123 123 GLU HA H 1 4.290 0.000 . 1 . . . . . 123 GLU HA . 28085 1 691 . 1 . 1 123 123 GLU C C 13 176.001 0.005 . 1 . . . . . 123 GLU C . 28085 1 692 . 1 . 1 123 123 GLU CA C 13 56.066 0.024 . 1 . . . . . 123 GLU CA . 28085 1 693 . 1 . 1 123 123 GLU CB C 13 30.154 0.019 . 1 . . . . . 123 GLU CB . 28085 1 694 . 1 . 1 123 123 GLU N N 15 120.800 0.003 . 1 . . . . . 123 GLU N . 28085 1 695 . 1 . 1 124 124 VAL H H 1 8.274 0.001 . 1 . . . . . 124 VAL H . 28085 1 696 . 1 . 1 124 124 VAL HA H 1 4.076 0.000 . 1 . . . . . 124 VAL HA . 28085 1 697 . 1 . 1 124 124 VAL C C 13 175.625 0.003 . 1 . . . . . 124 VAL C . 28085 1 698 . 1 . 1 124 124 VAL CA C 13 61.973 0.026 . 1 . . . . . 124 VAL CA . 28085 1 699 . 1 . 1 124 124 VAL CB C 13 32.513 0.094 . 1 . . . . . 124 VAL CB . 28085 1 700 . 1 . 1 124 124 VAL N N 15 122.807 0.003 . 1 . . . . . 124 VAL N . 28085 1 701 . 1 . 1 125 125 LYS H H 1 8.458 0.027 . 1 . . . . . 125 LYS H . 28085 1 702 . 1 . 1 125 125 LYS HA H 1 4.263 0.000 . 1 . . . . . 125 LYS HA . 28085 1 703 . 1 . 1 125 125 LYS C C 13 175.649 0.001 . 1 . . . . . 125 LYS C . 28085 1 704 . 1 . 1 125 125 LYS CA C 13 55.542 0.032 . 1 . . . . . 125 LYS CA . 28085 1 705 . 1 . 1 125 125 LYS CB C 13 32.717 0.001 . 1 . . . . . 125 LYS CB . 28085 1 706 . 1 . 1 125 125 LYS N N 15 126.483 0.003 . 1 . . . . . 125 LYS N . 28085 1 707 . 1 . 1 126 126 ALA H H 1 8.420 0.002 . 1 . . . . . 126 ALA H . 28085 1 708 . 1 . 1 126 126 ALA HA H 1 4.263 0.000 . 1 . . . . . 126 ALA HA . 28085 1 709 . 1 . 1 126 126 ALA C C 13 177.336 0.004 . 1 . . . . . 126 ALA C . 28085 1 710 . 1 . 1 126 126 ALA CA C 13 52.048 0.014 . 1 . . . . . 126 ALA CA . 28085 1 711 . 1 . 1 126 126 ALA CB C 13 18.952 0.000 . 1 . . . . . 126 ALA CB . 28085 1 712 . 1 . 1 126 126 ALA N N 15 126.470 0.004 . 1 . . . . . 126 ALA N . 28085 1 713 . 1 . 1 127 127 GLU H H 1 8.477 0.001 . 1 . . . . . 127 GLU H . 28085 1 714 . 1 . 1 127 127 GLU HA H 1 4.259 0.000 . 1 . . . . . 127 GLU HA . 28085 1 715 . 1 . 1 127 127 GLU C C 13 175.763 0.001 . 1 . . . . . 127 GLU C . 28085 1 716 . 1 . 1 127 127 GLU CA C 13 56.208 0.048 . 1 . . . . . 127 GLU CA . 28085 1 717 . 1 . 1 127 127 GLU CB C 13 29.936 0.041 . 1 . . . . . 127 GLU CB . 28085 1 718 . 1 . 1 127 127 GLU N N 15 120.284 0.002 . 1 . . . . . 127 GLU N . 28085 1 719 . 1 . 1 128 128 ASN H H 1 8.416 0.002 . 1 . . . . . 128 ASN H . 28085 1 720 . 1 . 1 128 128 ASN HA H 1 4.737 0.000 . 1 . . . . . 128 ASN HA . 28085 1 721 . 1 . 1 128 128 ASN C C 13 174.341 0.000 . 1 . . . . . 128 ASN C . 28085 1 722 . 1 . 1 128 128 ASN CA C 13 52.794 0.012 . 1 . . . . . 128 ASN CA . 28085 1 723 . 1 . 1 128 128 ASN CB C 13 38.543 0.018 . 1 . . . . . 128 ASN CB . 28085 1 724 . 1 . 1 128 128 ASN N N 15 119.233 0.003 . 1 . . . . . 128 ASN N . 28085 1 725 . 1 . 1 129 129 ASN H H 1 8.404 0.001 . 1 . . . . . 129 ASN H . 28085 1 726 . 1 . 1 129 129 ASN HA H 1 4.750 0.000 . 1 . . . . . 129 ASN HA . 28085 1 727 . 1 . 1 129 129 ASN C C 13 174.753 0.002 . 1 . . . . . 129 ASN C . 28085 1 728 . 1 . 1 129 129 ASN CA C 13 52.968 0.024 . 1 . . . . . 129 ASN CA . 28085 1 729 . 1 . 1 129 129 ASN CB C 13 38.623 0.002 . 1 . . . . . 129 ASN CB . 28085 1 730 . 1 . 1 129 129 ASN N N 15 119.505 0.004 . 1 . . . . . 129 ASN N . 28085 1 731 . 1 . 1 130 130 ILE H H 1 8.077 0.006 . 1 . . . . . 130 ILE H . 28085 1 732 . 1 . 1 130 130 ILE HA H 1 4.159 0.000 . 1 . . . . . 130 ILE HA . 28085 1 733 . 1 . 1 130 130 ILE C C 13 175.813 0.001 . 1 . . . . . 130 ILE C . 28085 1 734 . 1 . 1 130 130 ILE CA C 13 60.979 0.013 . 1 . . . . . 130 ILE CA . 28085 1 735 . 1 . 1 130 130 ILE CB C 13 38.451 0.023 . 1 . . . . . 130 ILE CB . 28085 1 736 . 1 . 1 130 130 ILE N N 15 121.013 0.000 . 1 . . . . . 130 ILE N . 28085 1 737 . 1 . 1 131 131 GLU H H 1 8.422 0.001 . 1 . . . . . 131 GLU H . 28085 1 738 . 1 . 1 131 131 GLU HA H 1 4.284 0.000 . 1 . . . . . 131 GLU HA . 28085 1 739 . 1 . 1 131 131 GLU C C 13 175.733 0.000 . 1 . . . . . 131 GLU C . 28085 1 740 . 1 . 1 131 131 GLU CA C 13 56.145 0.067 . 1 . . . . . 131 GLU CA . 28085 1 741 . 1 . 1 131 131 GLU CB C 13 29.943 0.026 . 1 . . . . . 131 GLU CB . 28085 1 742 . 1 . 1 131 131 GLU N N 15 124.434 0.004 . 1 . . . . . 131 GLU N . 28085 1 743 . 1 . 1 132 132 MET H H 1 8.369 0.002 . 1 . . . . . 132 MET H . 28085 1 744 . 1 . 1 132 132 MET HA H 1 4.520 0.000 . 1 . . . . . 132 MET HA . 28085 1 745 . 1 . 1 132 132 MET C C 13 175.766 0.001 . 1 . . . . . 132 MET C . 28085 1 746 . 1 . 1 132 132 MET CA C 13 54.944 0.060 . 1 . . . . . 132 MET CA . 28085 1 747 . 1 . 1 132 132 MET CB C 13 32.472 0.005 . 1 . . . . . 132 MET CB . 28085 1 748 . 1 . 1 132 132 MET N N 15 122.728 0.002 . 1 . . . . . 132 MET N . 28085 1 749 . 1 . 1 133 133 VAL H H 1 8.166 0.001 . 1 . . . . . 133 VAL H . 28085 1 750 . 1 . 1 133 133 VAL HA H 1 4.128 0.000 . 1 . . . . . 133 VAL HA . 28085 1 751 . 1 . 1 133 133 VAL C C 13 176.299 0.005 . 1 . . . . . 133 VAL C . 28085 1 752 . 1 . 1 133 133 VAL CA C 13 62.255 0.059 . 1 . . . . . 133 VAL CA . 28085 1 753 . 1 . 1 133 133 VAL CB C 13 32.391 0.006 . 1 . . . . . 133 VAL CB . 28085 1 754 . 1 . 1 133 133 VAL N N 15 121.665 0.002 . 1 . . . . . 133 VAL N . 28085 1 755 . 1 . 1 134 134 GLY H H 1 8.467 0.001 . 1 . . . . . 134 GLY H . 28085 1 756 . 1 . 1 134 134 GLY HA2 H 1 3.976 0.000 . 1 . . . . . 134 GLY HA2 . 28085 1 757 . 1 . 1 134 134 GLY HA3 H 1 3.976 0.000 . 1 . . . . . 134 GLY HA3 . 28085 1 758 . 1 . 1 134 134 GLY C C 13 173.788 0.001 . 1 . . . . . 134 GLY C . 28085 1 759 . 1 . 1 134 134 GLY CA C 13 44.803 0.017 . 1 . . . . . 134 GLY CA . 28085 1 760 . 1 . 1 134 134 GLY N N 15 112.506 0.002 . 1 . . . . . 134 GLY N . 28085 1 761 . 1 . 1 135 135 GLU H H 1 8.320 0.002 . 1 . . . . . 135 GLU H . 28085 1 762 . 1 . 1 135 135 GLU HA H 1 4.306 0.000 . 1 . . . . . 135 GLU HA . 28085 1 763 . 1 . 1 135 135 GLU C C 13 176.526 0.003 . 1 . . . . . 135 GLU C . 28085 1 764 . 1 . 1 135 135 GLU CA C 13 56.346 0.059 . 1 . . . . . 135 GLU CA . 28085 1 765 . 1 . 1 135 135 GLU CB C 13 30.015 0.009 . 1 . . . . . 135 GLU CB . 28085 1 766 . 1 . 1 135 135 GLU N N 15 120.841 0.002 . 1 . . . . . 135 GLU N . 28085 1 767 . 1 . 1 136 136 SER H H 1 8.430 0.002 . 1 . . . . . 136 SER H . 28085 1 768 . 1 . 1 136 136 SER HA H 1 4.423 0.000 . 1 . . . . . 136 SER HA . 28085 1 769 . 1 . 1 136 136 SER C C 13 174.482 0.008 . 1 . . . . . 136 SER C . 28085 1 770 . 1 . 1 136 136 SER CA C 13 58.197 0.037 . 1 . . . . . 136 SER CA . 28085 1 771 . 1 . 1 136 136 SER CB C 13 63.285 0.014 . 1 . . . . . 136 SER CB . 28085 1 772 . 1 . 1 136 136 SER N N 15 116.840 0.003 . 1 . . . . . 136 SER N . 28085 1 773 . 1 . 1 137 137 GLN H H 1 8.423 0.002 . 1 . . . . . 137 GLN H . 28085 1 774 . 1 . 1 137 137 GLN HA H 1 4.335 0.000 . 1 . . . . . 137 GLN HA . 28085 1 775 . 1 . 1 137 137 GLN C C 13 175.492 0.005 . 1 . . . . . 137 GLN C . 28085 1 776 . 1 . 1 137 137 GLN CA C 13 55.531 0.055 . 1 . . . . . 137 GLN CA . 28085 1 777 . 1 . 1 137 137 GLN CB C 13 28.981 0.008 . 1 . . . . . 137 GLN CB . 28085 1 778 . 1 . 1 137 137 GLN N N 15 122.299 0.004 . 1 . . . . . 137 GLN N . 28085 1 779 . 1 . 1 138 138 ALA H H 1 8.197 0.002 . 1 . . . . . 138 ALA H . 28085 1 780 . 1 . 1 138 138 ALA HA H 1 4.249 0.000 . 1 . . . . . 138 ALA HA . 28085 1 781 . 1 . 1 138 138 ALA C C 13 177.131 0.004 . 1 . . . . . 138 ALA C . 28085 1 782 . 1 . 1 138 138 ALA CA C 13 52.284 0.008 . 1 . . . . . 138 ALA CA . 28085 1 783 . 1 . 1 138 138 ALA CB C 13 18.834 0.007 . 1 . . . . . 138 ALA CB . 28085 1 784 . 1 . 1 138 138 ALA N N 15 124.728 0.004 . 1 . . . . . 138 ALA N . 28085 1 785 . 1 . 1 139 139 ALA H H 1 8.181 0.002 . 1 . . . . . 139 ALA H . 28085 1 786 . 1 . 1 139 139 ALA HA H 1 4.327 0.000 . 1 . . . . . 139 ALA HA . 28085 1 787 . 1 . 1 139 139 ALA C C 13 177.287 0.003 . 1 . . . . . 139 ALA C . 28085 1 788 . 1 . 1 139 139 ALA CA C 13 52.035 0.009 . 1 . . . . . 139 ALA CA . 28085 1 789 . 1 . 1 139 139 ALA CB C 13 18.700 0.018 . 1 . . . . . 139 ALA CB . 28085 1 790 . 1 . 1 139 139 ALA N N 15 123.005 0.001 . 1 . . . . . 139 ALA N . 28085 1 791 . 1 . 1 140 140 LYS H H 1 8.173 0.003 . 1 . . . . . 140 LYS H . 28085 1 792 . 1 . 1 140 140 LYS C C 13 175.974 0.003 . 1 . . . . . 140 LYS C . 28085 1 793 . 1 . 1 140 140 LYS CA C 13 55.713 0.078 . 1 . . . . . 140 LYS CA . 28085 1 794 . 1 . 1 140 140 LYS CB C 13 32.743 0.015 . 1 . . . . . 140 LYS CB . 28085 1 795 . 1 . 1 140 140 LYS N N 15 120.926 0.004 . 1 . . . . . 140 LYS N . 28085 1 796 . 1 . 1 141 141 VAL H H 1 8.147 0.003 . 1 . . . . . 141 VAL H . 28085 1 797 . 1 . 1 141 141 VAL HA H 1 4.102 0.000 . 1 . . . . . 141 VAL HA . 28085 1 798 . 1 . 1 141 141 VAL C C 13 175.430 0.000 . 1 . . . . . 141 VAL C . 28085 1 799 . 1 . 1 141 141 VAL CA C 13 62.018 0.001 . 1 . . . . . 141 VAL CA . 28085 1 800 . 1 . 1 141 141 VAL CB C 13 32.460 0.031 . 1 . . . . . 141 VAL CB . 28085 1 801 . 1 . 1 141 141 VAL N N 15 122.583 0.007 . 1 . . . . . 141 VAL N . 28085 1 802 . 1 . 1 142 142 ILE H H 1 8.334 0.001 . 1 . . . . . 142 ILE H . 28085 1 803 . 1 . 1 142 142 ILE HA H 1 4.181 0.000 . 1 . . . . . 142 ILE HA . 28085 1 804 . 1 . 1 142 142 ILE C C 13 175.672 0.015 . 1 . . . . . 142 ILE C . 28085 1 805 . 1 . 1 142 142 ILE CA C 13 60.406 0.055 . 1 . . . . . 142 ILE CA . 28085 1 806 . 1 . 1 142 142 ILE CB C 13 38.189 0.041 . 1 . . . . . 142 ILE CB . 28085 1 807 . 1 . 1 142 142 ILE N N 15 126.418 0.002 . 1 . . . . . 142 ILE N . 28085 1 808 . 1 . 1 143 143 VAL H H 1 8.298 0.001 . 1 . . . . . 143 VAL H . 28085 1 809 . 1 . 1 143 143 VAL HA H 1 4.175 0.000 . 1 . . . . . 143 VAL HA . 28085 1 810 . 1 . 1 143 143 VAL C C 13 175.477 0.005 . 1 . . . . . 143 VAL C . 28085 1 811 . 1 . 1 143 143 VAL CA C 13 61.679 0.005 . 1 . . . . . 143 VAL CA . 28085 1 812 . 1 . 1 143 143 VAL CB C 13 32.582 0.048 . 1 . . . . . 143 VAL CB . 28085 1 813 . 1 . 1 143 143 VAL N N 15 125.779 0.001 . 1 . . . . . 143 VAL N . 28085 1 814 . 1 . 1 144 144 SER H H 1 8.462 0.001 . 1 . . . . . 144 SER H . 28085 1 815 . 1 . 1 144 144 SER HA H 1 4.548 0.000 . 1 . . . . . 144 SER HA . 28085 1 816 . 1 . 1 144 144 SER C C 13 174.179 0.002 . 1 . . . . . 144 SER C . 28085 1 817 . 1 . 1 144 144 SER CA C 13 57.518 0.048 . 1 . . . . . 144 SER CA . 28085 1 818 . 1 . 1 144 144 SER CB C 13 63.587 0.004 . 1 . . . . . 144 SER CB . 28085 1 819 . 1 . 1 144 144 SER N N 15 120.579 0.002 . 1 . . . . . 144 SER N . 28085 1 820 . 1 . 1 145 145 VAL H H 1 8.302 0.002 . 1 . . . . . 145 VAL H . 28085 1 821 . 1 . 1 145 145 VAL HA H 1 4.145 0.000 . 1 . . . . . 145 VAL HA . 28085 1 822 . 1 . 1 145 145 VAL C C 13 175.931 0.006 . 1 . . . . . 145 VAL C . 28085 1 823 . 1 . 1 145 145 VAL CA C 13 62.123 0.005 . 1 . . . . . 145 VAL CA . 28085 1 824 . 1 . 1 145 145 VAL CB C 13 32.537 0.112 . 1 . . . . . 145 VAL CB . 28085 1 825 . 1 . 1 145 145 VAL N N 15 122.300 0.003 . 1 . . . . . 145 VAL N . 28085 1 826 . 1 . 1 146 146 GLU H H 1 8.483 0.003 . 1 . . . . . 146 GLU H . 28085 1 827 . 1 . 1 146 146 GLU HA H 1 4.280 0.000 . 1 . . . . . 146 GLU HA . 28085 1 828 . 1 . 1 146 146 GLU C C 13 175.844 0.003 . 1 . . . . . 146 GLU C . 28085 1 829 . 1 . 1 146 146 GLU CA C 13 56.346 0.038 . 1 . . . . . 146 GLU CA . 28085 1 830 . 1 . 1 146 146 GLU CB C 13 29.873 0.006 . 1 . . . . . 146 GLU CB . 28085 1 831 . 1 . 1 146 146 GLU N N 15 123.772 0.001 . 1 . . . . . 146 GLU N . 28085 1 832 . 1 . 1 147 147 ASP H H 1 8.247 0.008 . 1 . . . . . 147 ASP H . 28085 1 833 . 1 . 1 147 147 ASP HA H 1 4.606 0.000 . 1 . . . . . 147 ASP HA . 28085 1 834 . 1 . 1 147 147 ASP C C 13 175.368 0.001 . 1 . . . . . 147 ASP C . 28085 1 835 . 1 . 1 147 147 ASP CA C 13 53.956 0.021 . 1 . . . . . 147 ASP CA . 28085 1 836 . 1 . 1 147 147 ASP CB C 13 40.717 0.013 . 1 . . . . . 147 ASP CB . 28085 1 837 . 1 . 1 147 147 ASP N N 15 121.357 0.004 . 1 . . . . . 147 ASP N . 28085 1 838 . 1 . 1 148 148 ALA H H 1 8.087 0.001 . 1 . . . . . 148 ALA H . 28085 1 839 . 1 . 1 148 148 ALA HA H 1 4.311 0.000 . 1 . . . . . 148 ALA HA . 28085 1 840 . 1 . 1 148 148 ALA C C 13 177.069 0.002 . 1 . . . . . 148 ALA C . 28085 1 841 . 1 . 1 148 148 ALA CA C 13 51.932 0.064 . 1 . . . . . 148 ALA CA . 28085 1 842 . 1 . 1 148 148 ALA CB C 13 18.898 0.033 . 1 . . . . . 148 ALA CB . 28085 1 843 . 1 . 1 148 148 ALA N N 15 124.086 0.002 . 1 . . . . . 148 ALA N . 28085 1 844 . 1 . 1 149 149 VAL H H 1 8.125 0.002 . 1 . . . . . 149 VAL H . 28085 1 845 . 1 . 1 149 149 VAL HA H 1 4.372 0.000 . 1 . . . . . 149 VAL HA . 28085 1 846 . 1 . 1 149 149 VAL C C 13 174.230 0.000 . 1 . . . . . 149 VAL C . 28085 1 847 . 1 . 1 149 149 VAL CA C 13 59.549 0.000 . 1 . . . . . 149 VAL CA . 28085 1 848 . 1 . 1 149 149 VAL CB C 13 32.222 0.000 . 1 . . . . . 149 VAL CB . 28085 1 849 . 1 . 1 149 149 VAL N N 15 121.275 0.002 . 1 . . . . . 149 VAL N . 28085 1 850 . 1 . 1 150 150 PRO HA H 1 4.396 0.000 . 1 . . . . . 150 PRO HA . 28085 1 851 . 1 . 1 150 150 PRO C C 13 176.464 0.000 . 1 . . . . . 150 PRO C . 28085 1 852 . 1 . 1 150 150 PRO CA C 13 62.824 0.000 . 1 . . . . . 150 PRO CA . 28085 1 853 . 1 . 1 150 150 PRO CB C 13 31.908 0.000 . 1 . . . . . 150 PRO CB . 28085 1 854 . 1 . 1 151 151 THR H H 1 8.260 0.002 . 1 . . . . . 151 THR H . 28085 1 855 . 1 . 1 151 151 THR HA H 1 4.252 0.000 . 1 . . . . . 151 THR HA . 28085 1 856 . 1 . 1 151 151 THR C C 13 173.681 0.006 . 1 . . . . . 151 THR C . 28085 1 857 . 1 . 1 151 151 THR CA C 13 61.649 0.032 . 1 . . . . . 151 THR CA . 28085 1 858 . 1 . 1 151 151 THR CB C 13 69.483 0.043 . 1 . . . . . 151 THR CB . 28085 1 859 . 1 . 1 151 151 THR N N 15 115.563 0.003 . 1 . . . . . 151 THR N . 28085 1 860 . 1 . 1 152 152 ILE H H 1 7.991 0.001 . 1 . . . . . 152 ILE H . 28085 1 861 . 1 . 1 152 152 ILE HA H 1 4.133 0.000 . 1 . . . . . 152 ILE HA . 28085 1 862 . 1 . 1 152 152 ILE C C 13 174.427 0.002 . 1 . . . . . 152 ILE C . 28085 1 863 . 1 . 1 152 152 ILE CA C 13 60.650 0.073 . 1 . . . . . 152 ILE CA . 28085 1 864 . 1 . 1 152 152 ILE CB C 13 38.626 0.054 . 1 . . . . . 152 ILE CB . 28085 1 865 . 1 . 1 152 152 ILE N N 15 123.525 0.001 . 1 . . . . . 152 ILE N . 28085 1 866 . 1 . 1 153 153 PHE H H 1 7.771 0.001 . 1 . . . . . 153 PHE H . 28085 1 867 . 1 . 1 153 153 PHE HA H 1 4.446 0.000 . 1 . . . . . 153 PHE HA . 28085 1 868 . 1 . 1 153 153 PHE C C 13 172.919 0.000 . 1 . . . . . 153 PHE C . 28085 1 869 . 1 . 1 153 153 PHE CA C 13 58.730 0.000 . 1 . . . . . 153 PHE CA . 28085 1 870 . 1 . 1 153 153 PHE CB C 13 40.116 0.000 . 1 . . . . . 153 PHE CB . 28085 1 871 . 1 . 1 153 153 PHE N N 15 129.311 0.005 . 1 . . . . . 153 PHE N . 28085 1 stop_ save_