data_51517 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51517 _Entry.Title ; hnRNP A18 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-18 _Entry.Accession_date 2022-07-18 _Entry.Last_release_date 2022-07-18 _Entry.Original_release_date 2022-07-18 _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 1 _Entry.Generated_software_label $software_1 _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 Katherine Coburn . . . . 51517 2 Braden Roth . . . . 51517 3 'David J.' Weber . . . . 51517 4 Kristen Varney . . . . 51517 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Maryland Baltimore' . 51517 2 . 'Medical University of South Carolina' . 51517 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51517 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 51517 '15N chemical shifts' 159 51517 '1H chemical shifts' 548 51517 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 . . 2023-06-30 . original BMRB . 51517 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51517 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36539586 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N assignments of the mRNA binding protein hnRNP A18 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 37 _Citation.Page_last 41 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Katherine Coburn K. M. . . 51517 1 2 Braden Roth B. . . . 51517 1 3 Kristen Varney K. M. . . 51517 1 4 France Carrier F. . . . 51517 1 5 David Weber D. J. . . 51517 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID A18 51517 1 CIRBP 51517 1 RBP 51517 1 'RNA binding protein' 51517 1 hnRNP 51517 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51517 _Assembly.ID 1 _Assembly.Name A18 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18653.9768 _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 A18 1 $entity_1 . . yes native no no . . . 51517 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51517 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASDEGKLFVGGLSFDTNEQ SLEQVFSKYGQISEVVVVKD RETQRSRGFGFVTFENIDDA KDAMMAMNGKSVDGRQIRVD QAGKSSDNRSRGYRGGSAGG RGFFRGGRGRGRGFSRGGGD RGYGGNRFESRSGGYGGSRD YYSSRSQSGGYSDRSSGGSY RDSYDSYATHNE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18653.9768 _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 1 yes UniProt Q14011 . Q14011 . . . . . . . . . . . . . . 51517 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51517 1 2 . ALA . 51517 1 3 . SER . 51517 1 4 . ASP . 51517 1 5 . GLU . 51517 1 6 . GLY . 51517 1 7 . LYS . 51517 1 8 . LEU . 51517 1 9 . PHE . 51517 1 10 . VAL . 51517 1 11 . GLY . 51517 1 12 . GLY . 51517 1 13 . LEU . 51517 1 14 . SER . 51517 1 15 . PHE . 51517 1 16 . ASP . 51517 1 17 . THR . 51517 1 18 . ASN . 51517 1 19 . GLU . 51517 1 20 . GLN . 51517 1 21 . SER . 51517 1 22 . LEU . 51517 1 23 . GLU . 51517 1 24 . GLN . 51517 1 25 . VAL . 51517 1 26 . PHE . 51517 1 27 . SER . 51517 1 28 . LYS . 51517 1 29 . TYR . 51517 1 30 . GLY . 51517 1 31 . GLN . 51517 1 32 . ILE . 51517 1 33 . SER . 51517 1 34 . GLU . 51517 1 35 . VAL . 51517 1 36 . VAL . 51517 1 37 . VAL . 51517 1 38 . VAL . 51517 1 39 . LYS . 51517 1 40 . ASP . 51517 1 41 . ARG . 51517 1 42 . GLU . 51517 1 43 . THR . 51517 1 44 . GLN . 51517 1 45 . ARG . 51517 1 46 . SER . 51517 1 47 . ARG . 51517 1 48 . GLY . 51517 1 49 . PHE . 51517 1 50 . GLY . 51517 1 51 . PHE . 51517 1 52 . VAL . 51517 1 53 . THR . 51517 1 54 . PHE . 51517 1 55 . GLU . 51517 1 56 . ASN . 51517 1 57 . ILE . 51517 1 58 . ASP . 51517 1 59 . ASP . 51517 1 60 . ALA . 51517 1 61 . LYS . 51517 1 62 . ASP . 51517 1 63 . ALA . 51517 1 64 . MET . 51517 1 65 . MET . 51517 1 66 . ALA . 51517 1 67 . MET . 51517 1 68 . ASN . 51517 1 69 . GLY . 51517 1 70 . LYS . 51517 1 71 . SER . 51517 1 72 . VAL . 51517 1 73 . ASP . 51517 1 74 . GLY . 51517 1 75 . ARG . 51517 1 76 . GLN . 51517 1 77 . ILE . 51517 1 78 . ARG . 51517 1 79 . VAL . 51517 1 80 . ASP . 51517 1 81 . GLN . 51517 1 82 . ALA . 51517 1 83 . GLY . 51517 1 84 . LYS . 51517 1 85 . SER . 51517 1 86 . SER . 51517 1 87 . ASP . 51517 1 88 . ASN . 51517 1 89 . ARG . 51517 1 90 . SER . 51517 1 91 . ARG . 51517 1 92 . GLY . 51517 1 93 . TYR . 51517 1 94 . ARG . 51517 1 95 . GLY . 51517 1 96 . GLY . 51517 1 97 . SER . 51517 1 98 . ALA . 51517 1 99 . GLY . 51517 1 100 . GLY . 51517 1 101 . ARG . 51517 1 102 . GLY . 51517 1 103 . PHE . 51517 1 104 . PHE . 51517 1 105 . ARG . 51517 1 106 . GLY . 51517 1 107 . GLY . 51517 1 108 . ARG . 51517 1 109 . GLY . 51517 1 110 . ARG . 51517 1 111 . GLY . 51517 1 112 . ARG . 51517 1 113 . GLY . 51517 1 114 . PHE . 51517 1 115 . SER . 51517 1 116 . ARG . 51517 1 117 . GLY . 51517 1 118 . GLY . 51517 1 119 . GLY . 51517 1 120 . ASP . 51517 1 121 . ARG . 51517 1 122 . GLY . 51517 1 123 . TYR . 51517 1 124 . GLY . 51517 1 125 . GLY . 51517 1 126 . ASN . 51517 1 127 . ARG . 51517 1 128 . PHE . 51517 1 129 . GLU . 51517 1 130 . SER . 51517 1 131 . ARG . 51517 1 132 . SER . 51517 1 133 . GLY . 51517 1 134 . GLY . 51517 1 135 . TYR . 51517 1 136 . GLY . 51517 1 137 . GLY . 51517 1 138 . SER . 51517 1 139 . ARG . 51517 1 140 . ASP . 51517 1 141 . TYR . 51517 1 142 . TYR . 51517 1 143 . SER . 51517 1 144 . SER . 51517 1 145 . ARG . 51517 1 146 . SER . 51517 1 147 . GLN . 51517 1 148 . SER . 51517 1 149 . GLY . 51517 1 150 . GLY . 51517 1 151 . TYR . 51517 1 152 . SER . 51517 1 153 . ASP . 51517 1 154 . ARG . 51517 1 155 . SER . 51517 1 156 . SER . 51517 1 157 . GLY . 51517 1 158 . GLY . 51517 1 159 . SER . 51517 1 160 . TYR . 51517 1 161 . ARG . 51517 1 162 . ASP . 51517 1 163 . SER . 51517 1 164 . TYR . 51517 1 165 . ASP . 51517 1 166 . SER . 51517 1 167 . TYR . 51517 1 168 . ALA . 51517 1 169 . THR . 51517 1 170 . HIS . 51517 1 171 . ASN . 51517 1 172 . GLU . 51517 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51517 1 . ALA 2 2 51517 1 . SER 3 3 51517 1 . ASP 4 4 51517 1 . GLU 5 5 51517 1 . GLY 6 6 51517 1 . LYS 7 7 51517 1 . LEU 8 8 51517 1 . PHE 9 9 51517 1 . VAL 10 10 51517 1 . GLY 11 11 51517 1 . GLY 12 12 51517 1 . LEU 13 13 51517 1 . SER 14 14 51517 1 . PHE 15 15 51517 1 . ASP 16 16 51517 1 . THR 17 17 51517 1 . ASN 18 18 51517 1 . GLU 19 19 51517 1 . GLN 20 20 51517 1 . SER 21 21 51517 1 . LEU 22 22 51517 1 . GLU 23 23 51517 1 . GLN 24 24 51517 1 . VAL 25 25 51517 1 . PHE 26 26 51517 1 . SER 27 27 51517 1 . LYS 28 28 51517 1 . TYR 29 29 51517 1 . GLY 30 30 51517 1 . GLN 31 31 51517 1 . ILE 32 32 51517 1 . SER 33 33 51517 1 . GLU 34 34 51517 1 . VAL 35 35 51517 1 . VAL 36 36 51517 1 . VAL 37 37 51517 1 . VAL 38 38 51517 1 . LYS 39 39 51517 1 . ASP 40 40 51517 1 . ARG 41 41 51517 1 . GLU 42 42 51517 1 . THR 43 43 51517 1 . GLN 44 44 51517 1 . ARG 45 45 51517 1 . SER 46 46 51517 1 . ARG 47 47 51517 1 . GLY 48 48 51517 1 . PHE 49 49 51517 1 . GLY 50 50 51517 1 . PHE 51 51 51517 1 . VAL 52 52 51517 1 . THR 53 53 51517 1 . PHE 54 54 51517 1 . GLU 55 55 51517 1 . ASN 56 56 51517 1 . ILE 57 57 51517 1 . ASP 58 58 51517 1 . ASP 59 59 51517 1 . ALA 60 60 51517 1 . LYS 61 61 51517 1 . ASP 62 62 51517 1 . ALA 63 63 51517 1 . MET 64 64 51517 1 . MET 65 65 51517 1 . ALA 66 66 51517 1 . MET 67 67 51517 1 . ASN 68 68 51517 1 . GLY 69 69 51517 1 . LYS 70 70 51517 1 . SER 71 71 51517 1 . VAL 72 72 51517 1 . ASP 73 73 51517 1 . GLY 74 74 51517 1 . ARG 75 75 51517 1 . GLN 76 76 51517 1 . ILE 77 77 51517 1 . ARG 78 78 51517 1 . VAL 79 79 51517 1 . ASP 80 80 51517 1 . GLN 81 81 51517 1 . ALA 82 82 51517 1 . GLY 83 83 51517 1 . LYS 84 84 51517 1 . SER 85 85 51517 1 . SER 86 86 51517 1 . ASP 87 87 51517 1 . ASN 88 88 51517 1 . ARG 89 89 51517 1 . SER 90 90 51517 1 . ARG 91 91 51517 1 . GLY 92 92 51517 1 . TYR 93 93 51517 1 . ARG 94 94 51517 1 . GLY 95 95 51517 1 . GLY 96 96 51517 1 . SER 97 97 51517 1 . ALA 98 98 51517 1 . GLY 99 99 51517 1 . GLY 100 100 51517 1 . ARG 101 101 51517 1 . GLY 102 102 51517 1 . PHE 103 103 51517 1 . PHE 104 104 51517 1 . ARG 105 105 51517 1 . GLY 106 106 51517 1 . GLY 107 107 51517 1 . ARG 108 108 51517 1 . GLY 109 109 51517 1 . ARG 110 110 51517 1 . GLY 111 111 51517 1 . ARG 112 112 51517 1 . GLY 113 113 51517 1 . PHE 114 114 51517 1 . SER 115 115 51517 1 . ARG 116 116 51517 1 . GLY 117 117 51517 1 . GLY 118 118 51517 1 . GLY 119 119 51517 1 . ASP 120 120 51517 1 . ARG 121 121 51517 1 . GLY 122 122 51517 1 . TYR 123 123 51517 1 . GLY 124 124 51517 1 . GLY 125 125 51517 1 . ASN 126 126 51517 1 . ARG 127 127 51517 1 . PHE 128 128 51517 1 . GLU 129 129 51517 1 . SER 130 130 51517 1 . ARG 131 131 51517 1 . SER 132 132 51517 1 . GLY 133 133 51517 1 . GLY 134 134 51517 1 . TYR 135 135 51517 1 . GLY 136 136 51517 1 . GLY 137 137 51517 1 . SER 138 138 51517 1 . ARG 139 139 51517 1 . ASP 140 140 51517 1 . TYR 141 141 51517 1 . TYR 142 142 51517 1 . SER 143 143 51517 1 . SER 144 144 51517 1 . ARG 145 145 51517 1 . SER 146 146 51517 1 . GLN 147 147 51517 1 . SER 148 148 51517 1 . GLY 149 149 51517 1 . GLY 150 150 51517 1 . TYR 151 151 51517 1 . SER 152 152 51517 1 . ASP 153 153 51517 1 . ARG 154 154 51517 1 . SER 155 155 51517 1 . SER 156 156 51517 1 . GLY 157 157 51517 1 . GLY 158 158 51517 1 . SER 159 159 51517 1 . TYR 160 160 51517 1 . ARG 161 161 51517 1 . ASP 162 162 51517 1 . SER 163 163 51517 1 . TYR 164 164 51517 1 . ASP 165 165 51517 1 . SER 166 166 51517 1 . TYR 167 167 51517 1 . ALA 168 168 51517 1 . THR 169 169 51517 1 . HIS 170 170 51517 1 . ASN 171 171 51517 1 . GLU 172 172 51517 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51517 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51517 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51517 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET 21a' . . . 51517 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51517 _Sample.ID 1 _Sample.Name 'A18 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM acetic acid, pH 5.2' _Sample.Aggregate_sample_number 1 _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 A18 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 51517 1 2 'acetic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 51517 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 51517 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.200 . pH 51517 1 temperature 298.000 . K 51517 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51517 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID Assignment . 51517 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51517 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51517 _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/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 5 'CBCACONH (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 7 'HNCACO (H[N[ca[CO]]])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 8 '4D_noesy_nc (H[N]_H[C].through-space)' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51517 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51517 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 TSP 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 51517 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51517 1 N 15 TSP nitrogen . . . . ppm 0 external direct 1 . . . . . 51517 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51517 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' . . . 51517 1 2 '3D HNCO' . . . 51517 1 3 '3D HNCA' . . . 51517 1 4 '3D HNCACB' . . . 51517 1 5 'CBCACONH (H[N[co[{CA|ca[C]}]]])' . . . 51517 1 6 '3D HN(CO)CA' . . . 51517 1 7 'HNCACO (H[N[ca[CO]]])' . . . 51517 1 8 '4D_noesy_nc (H[N]_H[C].through-space)' . . . 51517 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51517 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 HA H 1 4.088 . . 1 . . 761 . . 2 ALA HA . 51517 1 2 . 1 . 1 2 2 ALA C C 13 172.670 . . 1 . . 475 . . 2 ALA C . 51517 1 3 . 1 . 1 2 2 ALA CA C 13 51.640 0.027 . 1 . . 473 . . 2 ALA CA . 51517 1 4 . 1 . 1 2 2 ALA CB C 13 19.243 . . 1 . . 474 . . 2 ALA CB . 51517 1 5 . 1 . 1 3 3 SER H H 1 8.604 0.003 . 1 . . 31 . . 3 SER H . 51517 1 6 . 1 . 1 3 3 SER HA H 1 4.459 . . 1 . . 759 . . 3 SER HA . 51517 1 7 . 1 . 1 3 3 SER HB2 H 1 3.882 . . 1 . . 1149 . . 3 SER HB2 . 51517 1 8 . 1 . 1 3 3 SER C C 13 173.367 0.022 . 1 . . 728 . . 3 SER C . 51517 1 9 . 1 . 1 3 3 SER CA C 13 58.130 0.11 . 1 . . 468 . . 3 SER CA . 51517 1 10 . 1 . 1 3 3 SER CB C 13 63.735 0.082 . 1 . . 341 . . 3 SER CB . 51517 1 11 . 1 . 1 3 3 SER N N 15 117.308 0.0 . 1 . . 32 . . 3 SER N . 51517 1 12 . 1 . 1 4 4 ASP H H 1 8.473 0.002 . 1 . . 219 . . 4 ASP H . 51517 1 13 . 1 . 1 4 4 ASP HA H 1 4.546 0.013 . 1 . . 760 . . 4 ASP HA . 51517 1 14 . 1 . 1 4 4 ASP HB2 H 1 2.606 . . 1 . . 1150 . . 4 ASP HB2 . 51517 1 15 . 1 . 1 4 4 ASP C C 13 175.651 0.025 . 1 . . 339 . . 4 ASP C . 51517 1 16 . 1 . 1 4 4 ASP CA C 13 54.591 0.014 . 1 . . 340 . . 4 ASP CA . 51517 1 17 . 1 . 1 4 4 ASP CB C 13 40.486 0.035 . 1 . . 389 . . 4 ASP CB . 51517 1 18 . 1 . 1 4 4 ASP N N 15 123.993 . . 1 . . 220 . . 4 ASP N . 51517 1 19 . 1 . 1 5 5 GLU H H 1 8.272 0.002 . 1 . . 145 . . 5 GLU H . 51517 1 20 . 1 . 1 5 5 GLU HA H 1 4.128 0.006 . 1 . . 762 . . 5 GLU HA . 51517 1 21 . 1 . 1 5 5 GLU HB2 H 1 1.891 . . 1 . . 766 . . 5 GLU HB2 . 51517 1 22 . 1 . 1 5 5 GLU HG2 H 1 2.269 . . 2 . . 764 . . 5 GLU HG2 . 51517 1 23 . 1 . 1 5 5 GLU HG3 H 1 1.989 . . 2 . . 765 . . 5 GLU HG3 . 51517 1 24 . 1 . 1 5 5 GLU C C 13 175.841 0.038 . 1 . . 533 . . 5 GLU C . 51517 1 25 . 1 . 1 5 5 GLU CA C 13 58.194 0.106 . 1 . . 388 . . 5 GLU CA . 51517 1 26 . 1 . 1 5 5 GLU CB C 13 29.787 0.06 . 1 . . 531 . . 5 GLU CB . 51517 1 27 . 1 . 1 5 5 GLU CG C 13 36.856 . . 1 . . 763 . . 5 GLU CG . 51517 1 28 . 1 . 1 5 5 GLU N N 15 121.700 0.0 . 1 . . 146 . . 5 GLU N . 51517 1 29 . 1 . 1 6 6 GLY H H 1 8.495 0.007 . 1 . . 185 . . 6 GLY H . 51517 1 30 . 1 . 1 6 6 GLY HA2 H 1 4.124 . . 2 . . 767 . . 6 GLY HA2 . 51517 1 31 . 1 . 1 6 6 GLY HA3 H 1 3.722 . . 2 . . 768 . . 6 GLY HA3 . 51517 1 32 . 1 . 1 6 6 GLY C C 13 170.855 . . 1 . . 532 . . 6 GLY C . 51517 1 33 . 1 . 1 6 6 GLY CA C 13 44.913 0.06 . 1 . . 530 . . 6 GLY CA . 51517 1 34 . 1 . 1 6 6 GLY N N 15 109.415 0.0 . 1 . . 186 . . 6 GLY N . 51517 1 35 . 1 . 1 7 7 LYS C C 13 173.926 . . 1 . . 292 . . 7 LYS C . 51517 1 36 . 1 . 1 7 7 LYS CA C 13 56.046 . . 1 . . 293 . . 7 LYS CA . 51517 1 37 . 1 . 1 8 8 LEU H H 1 9.455 0.006 . 1 . . 119 . . 8 LEU H . 51517 1 38 . 1 . 1 8 8 LEU N N 15 129.539 . . 1 . . 120 . . 8 LEU N . 51517 1 39 . 1 . 1 9 9 PHE H H 1 9.091 . . 1 . . 233 . . 9 PHE H . 51517 1 40 . 1 . 1 9 9 PHE N N 15 125.635 . . 1 . . 234 . . 9 PHE N . 51517 1 41 . 1 . 1 10 10 VAL H H 1 7.864 0.005 . 1 . . 99 . . 10 VAL H . 51517 1 42 . 1 . 1 10 10 VAL HA H 1 4.715 . . 1 . . 769 . . 10 VAL HA . 51517 1 43 . 1 . 1 10 10 VAL HB H 1 1.655 . . 1 . . 770 . . 10 VAL HB . 51517 1 44 . 1 . 1 10 10 VAL HG11 H 1 0.761 . . 1 . . 772 . . 10 VAL HG11 . 51517 1 45 . 1 . 1 10 10 VAL HG12 H 1 0.761 . . 1 . . 772 . . 10 VAL HG12 . 51517 1 46 . 1 . 1 10 10 VAL HG13 H 1 0.761 . . 1 . . 772 . . 10 VAL HG13 . 51517 1 47 . 1 . 1 10 10 VAL C C 13 172.484 0.022 . 1 . . 501 . . 10 VAL C . 51517 1 48 . 1 . 1 10 10 VAL CA C 13 59.673 0.062 . 1 . . 613 . . 10 VAL CA . 51517 1 49 . 1 . 1 10 10 VAL CB C 13 32.843 0.01 . 1 . . 614 . . 10 VAL CB . 51517 1 50 . 1 . 1 10 10 VAL CG1 C 13 22.982 . . 1 . . 771 . . 10 VAL CG1 . 51517 1 51 . 1 . 1 10 10 VAL N N 15 128.128 . . 1 . . 100 . . 10 VAL N . 51517 1 52 . 1 . 1 11 11 GLY H H 1 8.879 0.002 . 1 . . 159 . . 11 GLY H . 51517 1 53 . 1 . 1 11 11 GLY HA2 H 1 4.617 . . 1 . . 775 . . 11 GLY HA2 . 51517 1 54 . 1 . 1 11 11 GLY C C 13 172.431 0.052 . 1 . . 538 . . 11 GLY C . 51517 1 55 . 1 . 1 11 11 GLY CA C 13 43.206 0.037 . 1 . . 500 . . 11 GLY CA . 51517 1 56 . 1 . 1 11 11 GLY N N 15 112.903 0.0 . 1 . . 160 . . 11 GLY N . 51517 1 57 . 1 . 1 12 12 GLY H H 1 8.211 0.001 . 1 . . 235 . . 12 GLY H . 51517 1 58 . 1 . 1 12 12 GLY HA2 H 1 4.123 0.002 . 2 . . 773 . . 12 GLY HA2 . 51517 1 59 . 1 . 1 12 12 GLY HA3 H 1 3.692 . . 2 . . 774 . . 12 GLY HA3 . 51517 1 60 . 1 . 1 12 12 GLY C C 13 173.626 0.032 . 1 . . 489 . . 12 GLY C . 51517 1 61 . 1 . 1 12 12 GLY CA C 13 45.517 0.07 . 1 . . 539 . . 12 GLY CA . 51517 1 62 . 1 . 1 12 12 GLY N N 15 108.562 0.0 . 1 . . 236 . . 12 GLY N . 51517 1 63 . 1 . 1 13 13 LEU H H 1 7.349 0.001 . 1 . . 79 . . 13 LEU H . 51517 1 64 . 1 . 1 13 13 LEU N N 15 116.203 . . 1 . . 80 . . 13 LEU N . 51517 1 65 . 1 . 1 14 14 SER H H 1 9.101 0.003 . 1 . . 63 . . 14 SER H . 51517 1 66 . 1 . 1 14 14 SER HA H 1 4.070 0.01 . 1 . . 777 . . 14 SER HA . 51517 1 67 . 1 . 1 14 14 SER HB2 H 1 3.992 0.01 . 1 . . 776 . . 14 SER HB2 . 51517 1 68 . 1 . 1 14 14 SER C C 13 176.345 0.01 . 1 . . 285 . . 14 SER C . 51517 1 69 . 1 . 1 14 14 SER CA C 13 57.486 0.1 . 1 . . 298 . . 14 SER CA . 51517 1 70 . 1 . 1 14 14 SER CB C 13 63.021 0.026 . 1 . . 299 . . 14 SER CB . 51517 1 71 . 1 . 1 14 14 SER N N 15 116.640 . . 1 . . 64 . . 14 SER N . 51517 1 72 . 1 . 1 15 15 PHE H H 1 8.672 0.003 . 1 . . 73 . . 15 PHE H . 51517 1 73 . 1 . 1 15 15 PHE N N 15 128.812 0.001 . 1 . . 74 . . 15 PHE N . 51517 1 74 . 1 . 1 16 16 ASP C C 13 175.556 . . 1 . . 404 . . 16 ASP C . 51517 1 75 . 1 . 1 16 16 ASP CA C 13 54.284 . . 1 . . 1184 . . 16 ASP CA . 51517 1 76 . 1 . 1 16 16 ASP CB C 13 41.182 . . 1 . . 1185 . . 16 ASP CB . 51517 1 77 . 1 . 1 17 17 THR H H 1 7.170 0.003 . 1 . . 75 . . 17 THR H . 51517 1 78 . 1 . 1 17 17 THR HA H 1 4.061 0.006 . 1 . . 779 . . 17 THR HA . 51517 1 79 . 1 . 1 17 17 THR HB H 1 3.908 . . 1 . . 778 . . 17 THR HB . 51517 1 80 . 1 . 1 17 17 THR HG21 H 1 1.121 0.017 . 1 . . 780 . . 17 THR HG1 . 51517 1 81 . 1 . 1 17 17 THR HG22 H 1 1.121 0.017 . 1 . . 780 . . 17 THR HG1 . 51517 1 82 . 1 . 1 17 17 THR HG23 H 1 1.121 0.017 . 1 . . 780 . . 17 THR HG1 . 51517 1 83 . 1 . 1 17 17 THR C C 13 172.579 0.03 . 1 . . 645 . . 17 THR C . 51517 1 84 . 1 . 1 17 17 THR CA C 13 64.614 0.058 . 1 . . 403 . . 17 THR CA . 51517 1 85 . 1 . 1 17 17 THR CB C 13 68.264 0.085 . 1 . . 646 . . 17 THR CB . 51517 1 86 . 1 . 1 17 17 THR CG2 C 13 22.566 . . 1 . . 1177 . . 17 THR CG2 . 51517 1 87 . 1 . 1 17 17 THR N N 15 120.604 0.0 . 1 . . 76 . . 17 THR N . 51517 1 88 . 1 . 1 18 18 ASN H H 1 7.880 0.004 . 1 . . 636 . . 18 ASN H . 51517 1 89 . 1 . 1 18 18 ASN HA H 1 4.810 . . 1 . . 781 . . 18 ASN HA . 51517 1 90 . 1 . 1 18 18 ASN HB2 H 1 3.245 . . 1 . . 782 . . 18 ASN HB2 . 51517 1 91 . 1 . 1 18 18 ASN C C 13 173.162 0.016 . 1 . . 279 . . 18 ASN C . 51517 1 92 . 1 . 1 18 18 ASN CA C 13 50.385 0.022 . 1 . . 409 . . 18 ASN CA . 51517 1 93 . 1 . 1 18 18 ASN CB C 13 40.322 0.05 . 1 . . 408 . . 18 ASN CB . 51517 1 94 . 1 . 1 18 18 ASN N N 15 128.199 . . 1 . . 637 . . 18 ASN N . 51517 1 95 . 1 . 1 19 19 GLU H H 1 9.690 0.003 . 1 . . 93 . . 19 GLU H . 51517 1 96 . 1 . 1 19 19 GLU HA H 1 3.504 . . 1 . . 784 . . 19 GLU HA . 51517 1 97 . 1 . 1 19 19 GLU HB2 H 1 1.998 0.008 . 1 . . 783 . . 19 GLU HB2 . 51517 1 98 . 1 . 1 19 19 GLU C C 13 176.924 0.038 . 1 . . 405 . . 19 GLU C . 51517 1 99 . 1 . 1 19 19 GLU CA C 13 61.515 0.025 . 1 . . 407 . . 19 GLU CA . 51517 1 100 . 1 . 1 19 19 GLU CB C 13 28.093 0.067 . 1 . . 751 . . 19 GLU CB . 51517 1 101 . 1 . 1 19 19 GLU N N 15 120.230 0.0 . 1 . . 94 . . 19 GLU N . 51517 1 102 . 1 . 1 20 20 GLN H H 1 7.994 0.003 . 1 . . 251 . . 20 GLN H . 51517 1 103 . 1 . 1 20 20 GLN HA H 1 4.042 0.006 . 1 . . 785 . . 20 GLN HA . 51517 1 104 . 1 . 1 20 20 GLN HB2 H 1 2.097 0.02 . 1 . . 788 . . 20 GLN HB2 . 51517 1 105 . 1 . 1 20 20 GLN HG2 H 1 2.343 . . 1 . . 787 . . 20 GLN HG2 . 51517 1 106 . 1 . 1 20 20 GLN C C 13 177.435 . . 1 . . 602 . . 20 GLN C . 51517 1 107 . 1 . 1 20 20 GLN CA C 13 59.360 0.057 . 1 . . 406 . . 20 GLN CA . 51517 1 108 . 1 . 1 20 20 GLN CB C 13 27.818 0.041 . 1 . . 654 . . 20 GLN CB . 51517 1 109 . 1 . 1 20 20 GLN CG C 13 34.885 . . 1 . . 786 . . 20 GLN CG . 51517 1 110 . 1 . 1 20 20 GLN N N 15 120.538 0.0 . 1 . . 252 . . 20 GLN N . 51517 1 111 . 1 . 1 21 21 SER H H 1 8.029 0.001 . 1 . . 576 . . 21 SER H . 51517 1 112 . 1 . 1 21 21 SER HA H 1 4.232 . . 1 . . 789 . . 21 SER HA . 51517 1 113 . 1 . 1 21 21 SER HB2 H 1 4.076 0.013 . 2 . . 790 . . 21 SER HB2 . 51517 1 114 . 1 . 1 21 21 SER HB3 H 1 3.929 0.013 . 2 . . 791 . . 21 SER HB3 . 51517 1 115 . 1 . 1 21 21 SER C C 13 175.955 . . 1 . . 729 . . 21 SER C . 51517 1 116 . 1 . 1 21 21 SER CA C 13 61.200 0.05 . 1 . . 603 . . 21 SER CA . 51517 1 117 . 1 . 1 21 21 SER CB C 13 62.314 0.052 . 1 . . 604 . . 21 SER CB . 51517 1 118 . 1 . 1 21 21 SER N N 15 118.012 0.0 . 1 . . 577 . . 21 SER N . 51517 1 119 . 1 . 1 22 22 LEU H H 1 7.680 0.003 . 1 . . 45 . . 22 LEU H . 51517 1 120 . 1 . 1 22 22 LEU N N 15 121.143 0.0 . 1 . . 46 . . 22 LEU N . 51517 1 121 . 1 . 1 23 23 GLU H H 1 8.539 0.003 . 1 . . 11 . . 23 GLU H . 51517 1 122 . 1 . 1 23 23 GLU HA H 1 3.650 0.013 . 1 . . 792 . . 23 GLU HA . 51517 1 123 . 1 . 1 23 23 GLU HB2 H 1 2.223 0.008 . 2 . . 793 . . 23 GLU HB2 . 51517 1 124 . 1 . 1 23 23 GLU HB3 H 1 2.113 0.003 . 2 . . 794 . . 23 GLU HB3 . 51517 1 125 . 1 . 1 23 23 GLU HG2 H 1 2.203 0.0 . 1 . . 796 . . 23 GLU HG2 . 51517 1 126 . 1 . 1 23 23 GLU C C 13 177.314 0.032 . 1 . . 395 . . 23 GLU C . 51517 1 127 . 1 . 1 23 23 GLU CA C 13 60.273 0.089 . 1 . . 425 . . 23 GLU CA . 51517 1 128 . 1 . 1 23 23 GLU CB C 13 28.678 0.051 . 1 . . 752 . . 23 GLU CB . 51517 1 129 . 1 . 1 23 23 GLU CG C 13 35.359 0.072 . 1 . . 795 . . 23 GLU CG . 51517 1 130 . 1 . 1 23 23 GLU N N 15 121.398 0.0 . 1 . . 12 . . 23 GLU N . 51517 1 131 . 1 . 1 24 24 GLN H H 1 7.957 0.002 . 1 . . 229 . . 24 GLN H . 51517 1 132 . 1 . 1 24 24 GLN HA H 1 3.960 . . 1 . . 797 . . 24 GLN HA . 51517 1 133 . 1 . 1 24 24 GLN HB2 H 1 2.253 0.01 . 2 . . 798 . . 24 GLN HB2 . 51517 1 134 . 1 . 1 24 24 GLN HB3 H 1 2.148 0.005 . 2 . . 799 . . 24 GLN HB3 . 51517 1 135 . 1 . 1 24 24 GLN HG2 H 1 2.521 . . 2 . . 801 . . 24 GLN HG2 . 51517 1 136 . 1 . 1 24 24 GLN HG3 H 1 2.427 0.006 . 2 . . 802 . . 24 GLN HG3 . 51517 1 137 . 1 . 1 24 24 GLN C C 13 177.560 0.031 . 1 . . 424 . . 24 GLN C . 51517 1 138 . 1 . 1 24 24 GLN CA C 13 59.156 0.045 . 1 . . 484 . . 24 GLN CA . 51517 1 139 . 1 . 1 24 24 GLN CB C 13 28.154 0.096 . 1 . . 486 . . 24 GLN CB . 51517 1 140 . 1 . 1 24 24 GLN CG C 13 34.192 0.025 . 1 . . 800 . . 24 GLN CG . 51517 1 141 . 1 . 1 24 24 GLN N N 15 119.459 0.0 . 1 . . 230 . . 24 GLN N . 51517 1 142 . 1 . 1 25 25 VAL H H 1 7.482 0.004 . 1 . . 43 . . 25 VAL H . 51517 1 143 . 1 . 1 25 25 VAL HA H 1 3.953 0.011 . 1 . . 803 . . 25 VAL HA . 51517 1 144 . 1 . 1 25 25 VAL HB H 1 2.135 0.006 . 1 . . 804 . . 25 VAL HB . 51517 1 145 . 1 . 1 25 25 VAL HG11 H 1 1.064 . . 2 . . 806 . . 25 VAL HG11 . 51517 1 146 . 1 . 1 25 25 VAL HG12 H 1 1.064 . . 2 . . 806 . . 25 VAL HG12 . 51517 1 147 . 1 . 1 25 25 VAL HG13 H 1 1.064 . . 2 . . 806 . . 25 VAL HG13 . 51517 1 148 . 1 . 1 25 25 VAL HG21 H 1 0.761 . . 2 . . 807 . . 25 VAL HG21 . 51517 1 149 . 1 . 1 25 25 VAL HG22 H 1 0.761 . . 2 . . 807 . . 25 VAL HG22 . 51517 1 150 . 1 . 1 25 25 VAL HG23 H 1 0.761 . . 2 . . 807 . . 25 VAL HG23 . 51517 1 151 . 1 . 1 25 25 VAL C C 13 176.325 0.038 . 1 . . 466 . . 25 VAL C . 51517 1 152 . 1 . 1 25 25 VAL CA C 13 64.699 0.083 . 1 . . 686 . . 25 VAL CA . 51517 1 153 . 1 . 1 25 25 VAL CB C 13 32.284 0.066 . 1 . . 485 . . 25 VAL CB . 51517 1 154 . 1 . 1 25 25 VAL CG1 C 13 21.657 . . 1 . . 805 . . 25 VAL CG1 . 51517 1 155 . 1 . 1 25 25 VAL N N 15 117.108 0.0 . 1 . . 44 . . 25 VAL N . 51517 1 156 . 1 . 1 26 26 PHE H H 1 8.105 0.004 . 1 . . 249 . . 26 PHE H . 51517 1 157 . 1 . 1 26 26 PHE N N 15 117.587 0.0 . 1 . . 250 . . 26 PHE N . 51517 1 158 . 1 . 1 27 27 SER H H 1 8.311 0.002 . 1 . . 15 . . 27 SER H . 51517 1 159 . 1 . 1 27 27 SER HA H 1 4.510 . . 1 . . 808 . . 27 SER HA . 51517 1 160 . 1 . 1 27 27 SER HB2 H 1 4.087 . . 1 . . 809 . . 27 SER HB2 . 51517 1 161 . 1 . 1 27 27 SER CA C 13 61.330 0.018 . 1 . . 477 . . 27 SER CA . 51517 1 162 . 1 . 1 27 27 SER CB C 13 62.853 0.058 . 1 . . 478 . . 27 SER CB . 51517 1 163 . 1 . 1 27 27 SER N N 15 117.304 0.0 . 1 . . 16 . . 27 SER N . 51517 1 164 . 1 . 1 28 28 LYS HA H 1 4.197 . . 1 . . 811 . . 28 LYS HA . 51517 1 165 . 1 . 1 28 28 LYS CA C 13 59.418 . . 1 . . 810 . . 28 LYS CA . 51517 1 166 . 1 . 1 29 29 TYR H H 1 7.507 0.002 . 1 . . 562 . . 29 TYR H . 51517 1 167 . 1 . 1 29 29 TYR HA H 1 4.178 . . 1 . . 814 . . 29 TYR HA . 51517 1 168 . 1 . 1 29 29 TYR HB2 H 1 2.849 . . 1 . . 1155 . . 29 TYR HB2 . 51517 1 169 . 1 . 1 29 29 TYR C C 13 173.010 0.032 . 1 . . 605 . . 29 TYR C . 51517 1 170 . 1 . 1 29 29 TYR CA C 13 59.266 0.02 . 1 . . 542 . . 29 TYR CA . 51517 1 171 . 1 . 1 29 29 TYR CB C 13 38.794 0.087 . 1 . . 543 . . 29 TYR CB . 51517 1 172 . 1 . 1 29 29 TYR N N 15 117.168 0.0 . 1 . . 563 . . 29 TYR N . 51517 1 173 . 1 . 1 30 30 GLY H H 1 7.215 0.003 . 1 . . 267 . . 30 GLY H . 51517 1 174 . 1 . 1 30 30 GLY HA2 H 1 3.794 0.006 . 2 . . 812 . . 30 GLY HA2 . 51517 1 175 . 1 . 1 30 30 GLY HA3 H 1 4.804 . . 2 . . 813 . . 30 GLY HA3 . 51517 1 176 . 1 . 1 30 30 GLY C C 13 170.389 0.015 . 1 . . 463 . . 30 GLY C . 51517 1 177 . 1 . 1 30 30 GLY CA C 13 44.145 0.049 . 1 . . 465 . . 30 GLY CA . 51517 1 178 . 1 . 1 30 30 GLY N N 15 106.523 0.005 . 1 . . 268 . . 30 GLY N . 51517 1 179 . 1 . 1 31 31 GLN H H 1 8.123 0.003 . 1 . . 239 . . 31 GLN H . 51517 1 180 . 1 . 1 31 31 GLN HA H 1 4.161 0.015 . 1 . . 815 . . 31 GLN HA . 51517 1 181 . 1 . 1 31 31 GLN HB2 H 1 2.007 0.023 . 1 . . 816 . . 31 GLN HB2 . 51517 1 182 . 1 . 1 31 31 GLN HG2 H 1 2.282 0.003 . 1 . . 818 . . 31 GLN HG2 . 51517 1 183 . 1 . 1 31 31 GLN C C 13 175.517 0.026 . 1 . . 616 . . 31 GLN C . 51517 1 184 . 1 . 1 31 31 GLN CA C 13 56.777 0.071 . 1 . . 464 . . 31 GLN CA . 51517 1 185 . 1 . 1 31 31 GLN CB C 13 29.065 0.067 . 1 . . 615 . . 31 GLN CB . 51517 1 186 . 1 . 1 31 31 GLN CG C 13 33.810 0.011 . 1 . . 817 . . 31 GLN CG . 51517 1 187 . 1 . 1 31 31 GLN N N 15 117.717 0.0 . 1 . . 240 . . 31 GLN N . 51517 1 188 . 1 . 1 32 32 ILE H H 1 8.597 0.001 . 1 . . 55 . . 32 ILE H . 51517 1 189 . 1 . 1 32 32 ILE C C 13 175.078 . . 1 . . 347 . . 32 ILE C . 51517 1 190 . 1 . 1 32 32 ILE CA C 13 60.310 . . 1 . . 348 . . 32 ILE CA . 51517 1 191 . 1 . 1 32 32 ILE N N 15 131.180 . . 1 . . 56 . . 32 ILE N . 51517 1 192 . 1 . 1 33 33 SER H H 1 8.889 0.003 . 1 . . 125 . . 33 SER H . 51517 1 193 . 1 . 1 33 33 SER HA H 1 4.458 0.001 . 1 . . 820 . . 33 SER HA . 51517 1 194 . 1 . 1 33 33 SER HB2 H 1 3.555 0.01 . 1 . . 819 . . 33 SER HB2 . 51517 1 195 . 1 . 1 33 33 SER C C 13 173.388 0.013 . 1 . . 392 . . 33 SER C . 51517 1 196 . 1 . 1 33 33 SER CA C 13 58.738 0.123 . 1 . . 393 . . 33 SER CA . 51517 1 197 . 1 . 1 33 33 SER CB C 13 64.084 0.04 . 1 . . 394 . . 33 SER CB . 51517 1 198 . 1 . 1 33 33 SER N N 15 123.897 0.0 . 1 . . 126 . . 33 SER N . 51517 1 199 . 1 . 1 34 34 GLU H H 1 7.102 0.002 . 1 . . 271 . . 34 GLU H . 51517 1 200 . 1 . 1 34 34 GLU HA H 1 4.425 0.01 . 1 . . 821 . . 34 GLU HA . 51517 1 201 . 1 . 1 34 34 GLU C C 13 172.050 0.009 . 1 . . 318 . . 34 GLU C . 51517 1 202 . 1 . 1 34 34 GLU CA C 13 56.456 0.069 . 1 . . 319 . . 34 GLU CA . 51517 1 203 . 1 . 1 34 34 GLU CB C 13 33.186 0.031 . 1 . . 321 . . 34 GLU CB . 51517 1 204 . 1 . 1 34 34 GLU N N 15 121.668 0.0 . 1 . . 272 . . 34 GLU N . 51517 1 205 . 1 . 1 35 35 VAL H H 1 8.265 0.002 . 1 . . 225 . . 35 VAL H . 51517 1 206 . 1 . 1 35 35 VAL HA H 1 4.683 . . 1 . . 822 . . 35 VAL HA . 51517 1 207 . 1 . 1 35 35 VAL HG11 H 1 0.866 . . 1 . . 826 . . 35 VAL HG11 . 51517 1 208 . 1 . 1 35 35 VAL HG12 H 1 0.866 . . 1 . . 826 . . 35 VAL HG12 . 51517 1 209 . 1 . 1 35 35 VAL HG13 H 1 0.866 . . 1 . . 826 . . 35 VAL HG13 . 51517 1 210 . 1 . 1 35 35 VAL C C 13 172.241 0.017 . 1 . . 314 . . 35 VAL C . 51517 1 211 . 1 . 1 35 35 VAL CA C 13 61.233 0.04 . 1 . . 320 . . 35 VAL CA . 51517 1 212 . 1 . 1 35 35 VAL CB C 13 34.500 0.015 . 1 . . 313 . . 35 VAL CB . 51517 1 213 . 1 . 1 35 35 VAL N N 15 125.868 0.0 . 1 . . 226 . . 35 VAL N . 51517 1 214 . 1 . 1 36 36 VAL H H 1 8.613 0.002 . 1 . . 183 . . 36 VAL H . 51517 1 215 . 1 . 1 36 36 VAL HA H 1 4.492 . . 1 . . 827 . . 36 VAL HA . 51517 1 216 . 1 . 1 36 36 VAL HG11 H 1 0.865 . . 2 . . 824 . . 36 VAL HG11 . 51517 1 217 . 1 . 1 36 36 VAL HG12 H 1 0.865 . . 2 . . 824 . . 36 VAL HG12 . 51517 1 218 . 1 . 1 36 36 VAL HG13 H 1 0.865 . . 2 . . 824 . . 36 VAL HG13 . 51517 1 219 . 1 . 1 36 36 VAL HG21 H 1 0.827 . . 2 . . 825 . . 36 VAL HG21 . 51517 1 220 . 1 . 1 36 36 VAL HG22 H 1 0.827 . . 2 . . 825 . . 36 VAL HG22 . 51517 1 221 . 1 . 1 36 36 VAL HG23 H 1 0.827 . . 2 . . 825 . . 36 VAL HG23 . 51517 1 222 . 1 . 1 36 36 VAL C C 13 173.267 0.014 . 1 . . 302 . . 36 VAL C . 51517 1 223 . 1 . 1 36 36 VAL CA C 13 60.515 0.032 . 1 . . 303 . . 36 VAL CA . 51517 1 224 . 1 . 1 36 36 VAL CB C 13 36.613 0.052 . 1 . . 305 . . 36 VAL CB . 51517 1 225 . 1 . 1 36 36 VAL CG1 C 13 21.234 . . 1 . . 823 . . 36 VAL CG1 . 51517 1 226 . 1 . 1 36 36 VAL N N 15 126.227 . . 1 . . 184 . . 36 VAL N . 51517 1 227 . 1 . 1 37 37 VAL H H 1 8.307 0.005 . 1 . . 107 . . 37 VAL H . 51517 1 228 . 1 . 1 37 37 VAL HA H 1 3.902 . . 1 . . 832 . . 37 VAL HA . 51517 1 229 . 1 . 1 37 37 VAL HB H 1 1.646 . . 1 . . 828 . . 37 VAL HB . 51517 1 230 . 1 . 1 37 37 VAL HG11 H 1 0.904 . . 2 . . 829 . . 37 VAL HG11 . 51517 1 231 . 1 . 1 37 37 VAL HG12 H 1 0.904 . . 2 . . 829 . . 37 VAL HG12 . 51517 1 232 . 1 . 1 37 37 VAL HG13 H 1 0.904 . . 2 . . 829 . . 37 VAL HG13 . 51517 1 233 . 1 . 1 37 37 VAL HG21 H 1 0.817 . . 2 . . 831 . . 37 VAL HG21 . 51517 1 234 . 1 . 1 37 37 VAL HG22 H 1 0.817 . . 2 . . 831 . . 37 VAL HG22 . 51517 1 235 . 1 . 1 37 37 VAL HG23 H 1 0.817 . . 2 . . 831 . . 37 VAL HG23 . 51517 1 236 . 1 . 1 37 37 VAL C C 13 174.460 0.019 . 1 . . 617 . . 37 VAL C . 51517 1 237 . 1 . 1 37 37 VAL CA C 13 62.399 0.005 . 1 . . 290 . . 37 VAL CA . 51517 1 238 . 1 . 1 37 37 VAL CB C 13 32.817 0.04 . 1 . . 304 . . 37 VAL CB . 51517 1 239 . 1 . 1 37 37 VAL CG1 C 13 20.631 . . 1 . . 830 . . 37 VAL CG1 . 51517 1 240 . 1 . 1 37 37 VAL N N 15 127.958 0.0 . 1 . . 108 . . 37 VAL N . 51517 1 241 . 1 . 1 38 38 VAL H H 1 8.186 0.002 . 1 . . 39 . . 38 VAL H . 51517 1 242 . 1 . 1 38 38 VAL HG11 H 1 0.840 . . 1 . . 834 . . 38 VAL HG11 . 51517 1 243 . 1 . 1 38 38 VAL HG12 H 1 0.840 . . 1 . . 834 . . 38 VAL HG12 . 51517 1 244 . 1 . 1 38 38 VAL HG13 H 1 0.840 . . 1 . . 834 . . 38 VAL HG13 . 51517 1 245 . 1 . 1 38 38 VAL C C 13 173.426 . . 1 . . 289 . . 38 VAL C . 51517 1 246 . 1 . 1 38 38 VAL CA C 13 64.398 . . 1 . . 281 . . 38 VAL CA . 51517 1 247 . 1 . 1 38 38 VAL CB C 13 29.978 . . 1 . . 282 . . 38 VAL CB . 51517 1 248 . 1 . 1 38 38 VAL CG1 C 13 22.511 . . 1 . . 833 . . 38 VAL CG1 . 51517 1 249 . 1 . 1 38 38 VAL N N 15 131.628 0.01 . 1 . . 40 . . 38 VAL N . 51517 1 250 . 1 . 1 40 40 ASP H H 1 8.479 0.001 . 1 . . 131 . . 40 ASP H . 51517 1 251 . 1 . 1 40 40 ASP HA H 1 4.418 0.003 . 1 . . 835 . . 40 ASP HA . 51517 1 252 . 1 . 1 40 40 ASP HB2 H 1 2.467 . . 2 . . 836 . . 40 ASP HB2 . 51517 1 253 . 1 . 1 40 40 ASP HB3 H 1 2.922 0.02 . 2 . . 837 . . 40 ASP HB3 . 51517 1 254 . 1 . 1 40 40 ASP C C 13 176.134 0.018 . 1 . . 284 . . 40 ASP C . 51517 1 255 . 1 . 1 40 40 ASP CA C 13 54.069 0.024 . 1 . . 296 . . 40 ASP CA . 51517 1 256 . 1 . 1 40 40 ASP CB C 13 42.719 0.037 . 1 . . 297 . . 40 ASP CB . 51517 1 257 . 1 . 1 40 40 ASP N N 15 125.019 0.0 . 1 . . 132 . . 40 ASP N . 51517 1 258 . 1 . 1 41 41 ARG H H 1 8.748 0.005 . 1 . . 81 . . 41 ARG H . 51517 1 259 . 1 . 1 41 41 ARG HA H 1 3.899 0.008 . 1 . . 838 . . 41 ARG HA . 51517 1 260 . 1 . 1 41 41 ARG HB2 H 1 1.847 0.003 . 1 . . 839 . . 41 ARG HB2 . 51517 1 261 . 1 . 1 41 41 ARG HG2 H 1 1.628 0.001 . 1 . . 841 . . 41 ARG HG2 . 51517 1 262 . 1 . 1 41 41 ARG C C 13 176.125 0.025 . 1 . . 647 . . 41 ARG C . 51517 1 263 . 1 . 1 41 41 ARG CA C 13 58.890 0.042 . 1 . . 433 . . 41 ARG CA . 51517 1 264 . 1 . 1 41 41 ARG CB C 13 30.075 0.057 . 1 . . 434 . . 41 ARG CB . 51517 1 265 . 1 . 1 41 41 ARG CG C 13 27.125 0.039 . 1 . . 840 . . 41 ARG CG . 51517 1 266 . 1 . 1 41 41 ARG N N 15 128.785 0.005 . 1 . . 82 . . 41 ARG N . 51517 1 267 . 1 . 1 42 42 GLU H H 1 8.433 0.003 . 1 . . 215 . . 42 GLU H . 51517 1 268 . 1 . 1 42 42 GLU HA H 1 4.218 . . 1 . . 842 . . 42 GLU HA . 51517 1 269 . 1 . 1 42 42 GLU HB2 H 1 2.093 0.011 . 1 . . 845 . . 42 GLU HB2 . 51517 1 270 . 1 . 1 42 42 GLU HG2 H 1 2.234 . . 1 . . 844 . . 42 GLU HG2 . 51517 1 271 . 1 . 1 42 42 GLU C C 13 177.174 0.029 . 1 . . 534 . . 42 GLU C . 51517 1 272 . 1 . 1 42 42 GLU CA C 13 58.481 0.06 . 1 . . 432 . . 42 GLU CA . 51517 1 273 . 1 . 1 42 42 GLU CB C 13 29.911 0.066 . 1 . . 658 . . 42 GLU CB . 51517 1 274 . 1 . 1 42 42 GLU CG C 13 36.561 . . 1 . . 843 . . 42 GLU CG . 51517 1 275 . 1 . 1 42 42 GLU N N 15 118.812 0.0 . 1 . . 216 . . 42 GLU N . 51517 1 276 . 1 . 1 43 43 THR H H 1 8.002 0.003 . 1 . . 201 . . 43 THR H . 51517 1 277 . 1 . 1 43 43 THR HA H 1 4.279 0.022 . 1 . . 846 . . 43 THR HA . 51517 1 278 . 1 . 1 43 43 THR HB H 1 4.278 . . 1 . . 847 . . 43 THR HB . 51517 1 279 . 1 . 1 43 43 THR HG21 H 1 1.145 . . 1 . . 853 . . 43 THR HG1 . 51517 1 280 . 1 . 1 43 43 THR HG22 H 1 1.145 . . 1 . . 853 . . 43 THR HG1 . 51517 1 281 . 1 . 1 43 43 THR HG23 H 1 1.145 . . 1 . . 853 . . 43 THR HG1 . 51517 1 282 . 1 . 1 43 43 THR C C 13 174.605 0.026 . 1 . . 535 . . 43 THR C . 51517 1 283 . 1 . 1 43 43 THR CA C 13 61.810 0.084 . 1 . . 491 . . 43 THR CA . 51517 1 284 . 1 . 1 43 43 THR CB C 13 70.748 0.056 . 1 . . 490 . . 43 THR CB . 51517 1 285 . 1 . 1 43 43 THR CG2 C 13 21.167 . . 1 . . 852 . . 43 THR CG2 . 51517 1 286 . 1 . 1 43 43 THR N N 15 109.097 0.0 . 1 . . 202 . . 43 THR N . 51517 1 287 . 1 . 1 44 44 GLN H H 1 7.974 0.002 . 1 . . 85 . . 44 GLN H . 51517 1 288 . 1 . 1 44 44 GLN HA H 1 3.821 0.004 . 1 . . 848 . . 44 GLN HA . 51517 1 289 . 1 . 1 44 44 GLN HB2 H 1 2.293 . . 1 . . 849 . . 44 GLN HB2 . 51517 1 290 . 1 . 1 44 44 GLN HG2 H 1 2.178 . . 1 . . 851 . . 44 GLN HG2 . 51517 1 291 . 1 . 1 44 44 GLN C C 13 172.923 0.034 . 1 . . 619 . . 44 GLN C . 51517 1 292 . 1 . 1 44 44 GLN CA C 13 57.178 0.064 . 1 . . 492 . . 44 GLN CA . 51517 1 293 . 1 . 1 44 44 GLN CB C 13 25.882 0.029 . 1 . . 418 . . 44 GLN CB . 51517 1 294 . 1 . 1 44 44 GLN CG C 13 34.220 . . 1 . . 850 . . 44 GLN CG . 51517 1 295 . 1 . 1 44 44 GLN N N 15 115.902 0.0 . 1 . . 86 . . 44 GLN N . 51517 1 296 . 1 . 1 45 45 ARG H H 1 7.495 0.002 . 1 . . 29 . . 45 ARG H . 51517 1 297 . 1 . 1 45 45 ARG HA H 1 4.304 0.007 . 1 . . 854 . . 45 ARG HA . 51517 1 298 . 1 . 1 45 45 ARG HB2 H 1 1.736 0.0 . 2 . . 855 . . 45 ARG HB2 . 51517 1 299 . 1 . 1 45 45 ARG HB3 H 1 1.538 0.009 . 2 . . 856 . . 45 ARG HB3 . 51517 1 300 . 1 . 1 45 45 ARG HG2 H 1 1.581 0.007 . 1 . . 858 . . 45 ARG HG2 . 51517 1 301 . 1 . 1 45 45 ARG C C 13 175.108 0.002 . 1 . . 440 . . 45 ARG C . 51517 1 302 . 1 . 1 45 45 ARG CA C 13 55.123 0.049 . 1 . . 441 . . 45 ARG CA . 51517 1 303 . 1 . 1 45 45 ARG CB C 13 31.464 0.073 . 1 . . 442 . . 45 ARG CB . 51517 1 304 . 1 . 1 45 45 ARG CG C 13 27.301 . . 1 . . 857 . . 45 ARG CG . 51517 1 305 . 1 . 1 45 45 ARG N N 15 119.892 0.0 . 1 . . 30 . . 45 ARG N . 51517 1 306 . 1 . 1 46 46 SER H H 1 8.615 0.002 . 1 . . 57 . . 46 SER H . 51517 1 307 . 1 . 1 46 46 SER HA H 1 4.179 0.011 . 1 . . 859 . . 46 SER HA . 51517 1 308 . 1 . 1 46 46 SER HB2 H 1 3.866 . . 1 . . 860 . . 46 SER HB2 . 51517 1 309 . 1 . 1 46 46 SER C C 13 174.437 0.022 . 1 . . 335 . . 46 SER C . 51517 1 310 . 1 . 1 46 46 SER CA C 13 58.062 0.019 . 1 . . 333 . . 46 SER CA . 51517 1 311 . 1 . 1 46 46 SER CB C 13 64.045 0.058 . 1 . . 332 . . 46 SER CB . 51517 1 312 . 1 . 1 46 46 SER N N 15 118.289 . . 1 . . 58 . . 46 SER N . 51517 1 313 . 1 . 1 47 47 ARG H H 1 8.922 0.003 . 1 . . 173 . . 47 ARG H . 51517 1 314 . 1 . 1 47 47 ARG HA H 1 4.367 . . 1 . . 861 . . 47 ARG HA . 51517 1 315 . 1 . 1 47 47 ARG HB2 H 1 1.030 . . 1 . . 862 . . 47 ARG HB2 . 51517 1 316 . 1 . 1 47 47 ARG HG2 H 1 1.560 . . 1 . . 864 . . 47 ARG HG2 . 51517 1 317 . 1 . 1 47 47 ARG C C 13 176.701 0.023 . 1 . . 334 . . 47 ARG C . 51517 1 318 . 1 . 1 47 47 ARG CA C 13 55.927 0.014 . 1 . . 522 . . 47 ARG CA . 51517 1 319 . 1 . 1 47 47 ARG CB C 13 30.796 0.045 . 1 . . 523 . . 47 ARG CB . 51517 1 320 . 1 . 1 47 47 ARG CG C 13 27.613 . . 1 . . 863 . . 47 ARG CG . 51517 1 321 . 1 . 1 47 47 ARG N N 15 124.627 . . 1 . . 174 . . 47 ARG N . 51517 1 322 . 1 . 1 48 48 GLY H H 1 9.437 0.002 . 1 . . 121 . . 48 GLY H . 51517 1 323 . 1 . 1 48 48 GLY C C 13 170.717 0.014 . 1 . . 494 . . 48 GLY C . 51517 1 324 . 1 . 1 48 48 GLY CA C 13 45.592 0.039 . 1 . . 495 . . 48 GLY CA . 51517 1 325 . 1 . 1 48 48 GLY N N 15 109.915 0.0 . 1 . . 122 . . 48 GLY N . 51517 1 326 . 1 . 1 49 49 PHE H H 1 6.953 0.001 . 1 . . 213 . . 49 PHE H . 51517 1 327 . 1 . 1 49 49 PHE N N 15 114.166 0.0 . 1 . . 214 . . 49 PHE N . 51517 1 328 . 1 . 1 50 50 GLY H H 1 8.650 0.001 . 1 . . 259 . . 50 GLY H . 51517 1 329 . 1 . 1 50 50 GLY HA2 H 1 3.961 . . 1 . . 865 . . 50 GLY HA2 . 51517 1 330 . 1 . 1 50 50 GLY C C 13 168.420 0.001 . 1 . . 540 . . 50 GLY C . 51517 1 331 . 1 . 1 50 50 GLY CA C 13 45.136 0.03 . 1 . . 541 . . 50 GLY CA . 51517 1 332 . 1 . 1 50 50 GLY N N 15 107.867 0.0 . 1 . . 260 . . 50 GLY N . 51517 1 333 . 1 . 1 51 51 PHE H H 1 8.841 0.002 . 1 . . 97 . . 51 PHE H . 51517 1 334 . 1 . 1 51 51 PHE N N 15 115.788 . . 1 . . 98 . . 51 PHE N . 51517 1 335 . 1 . 1 52 52 VAL H H 1 8.609 0.003 . 1 . . 209 . . 52 VAL H . 51517 1 336 . 1 . 1 52 52 VAL HA H 1 4.369 0.012 . 1 . . 866 . . 52 VAL HA . 51517 1 337 . 1 . 1 52 52 VAL HB H 1 1.295 . . 1 . . 867 . . 52 VAL HB . 51517 1 338 . 1 . 1 52 52 VAL HG11 H 1 0.237 0.012 . 1 . . 869 . . 52 VAL HG11 . 51517 1 339 . 1 . 1 52 52 VAL HG12 H 1 0.237 0.012 . 1 . . 869 . . 52 VAL HG12 . 51517 1 340 . 1 . 1 52 52 VAL HG13 H 1 0.237 0.012 . 1 . . 869 . . 52 VAL HG13 . 51517 1 341 . 1 . 1 52 52 VAL C C 13 172.849 0.045 . 1 . . 288 . . 52 VAL C . 51517 1 342 . 1 . 1 52 52 VAL CA C 13 60.746 0.024 . 1 . . 328 . . 52 VAL CA . 51517 1 343 . 1 . 1 52 52 VAL CB C 13 34.990 0.097 . 1 . . 329 . . 52 VAL CB . 51517 1 344 . 1 . 1 52 52 VAL CG1 C 13 20.802 0.047 . 1 . . 868 . . 52 VAL CG1 . 51517 1 345 . 1 . 1 52 52 VAL N N 15 123.897 0.0 . 1 . . 210 . . 52 VAL N . 51517 1 346 . 1 . 1 53 53 THR H H 1 8.819 0.003 . 1 . . 133 . . 53 THR H . 51517 1 347 . 1 . 1 53 53 THR HB H 1 3.839 . . 1 . . 870 . . 53 THR HB . 51517 1 348 . 1 . 1 53 53 THR C C 13 172.651 0.027 . 1 . . 286 . . 53 THR C . 51517 1 349 . 1 . 1 53 53 THR CA C 13 61.473 0.063 . 1 . . 620 . . 53 THR CA . 51517 1 350 . 1 . 1 53 53 THR CB C 13 69.204 0.057 . 1 . . 659 . . 53 THR CB . 51517 1 351 . 1 . 1 53 53 THR CG2 C 13 21.195 . . 1 . . 1151 . . 53 THR CG2 . 51517 1 352 . 1 . 1 53 53 THR N N 15 124.887 0.009 . 1 . . 134 . . 53 THR N . 51517 1 353 . 1 . 1 54 54 PHE H H 1 8.636 0.004 . 1 . . 59 . . 54 PHE H . 51517 1 354 . 1 . 1 54 54 PHE N N 15 128.978 0.018 . 1 . . 60 . . 54 PHE N . 51517 1 355 . 1 . 1 55 55 GLU H H 1 7.779 0.001 . 1 . . 237 . . 55 GLU H . 51517 1 356 . 1 . 1 55 55 GLU HA H 1 3.987 . . 1 . . 871 . . 55 GLU HA . 51517 1 357 . 1 . 1 55 55 GLU HB2 H 1 1.840 0.005 . 2 . . 872 . . 55 GLU HB2 . 51517 1 358 . 1 . 1 55 55 GLU HB3 H 1 2.001 . . 2 . . 873 . . 55 GLU HB3 . 51517 1 359 . 1 . 1 55 55 GLU HG2 H 1 2.178 . . 1 . . 875 . . 55 GLU HG2 . 51517 1 360 . 1 . 1 55 55 GLU C C 13 174.698 0.015 . 1 . . 443 . . 55 GLU C . 51517 1 361 . 1 . 1 55 55 GLU CA C 13 58.602 0.076 . 1 . . 445 . . 55 GLU CA . 51517 1 362 . 1 . 1 55 55 GLU CB C 13 29.734 0.083 . 1 . . 446 . . 55 GLU CB . 51517 1 363 . 1 . 1 55 55 GLU CG C 13 35.818 . . 1 . . 874 . . 55 GLU CG . 51517 1 364 . 1 . 1 55 55 GLU N N 15 121.722 . . 1 . . 238 . . 55 GLU N . 51517 1 365 . 1 . 1 56 56 ASN H H 1 9.118 0.004 . 1 . . 149 . . 56 ASN H . 51517 1 366 . 1 . 1 56 56 ASN HA H 1 5.061 0.008 . 1 . . 876 . . 56 ASN HA . 51517 1 367 . 1 . 1 56 56 ASN C C 13 174.897 0.018 . 1 . . 315 . . 56 ASN C . 51517 1 368 . 1 . 1 56 56 ASN CA C 13 51.337 0.058 . 1 . . 444 . . 56 ASN CA . 51517 1 369 . 1 . 1 56 56 ASN CB C 13 40.137 0.034 . 1 . . 316 . . 56 ASN CB . 51517 1 370 . 1 . 1 56 56 ASN N N 15 118.201 0.0 . 1 . . 150 . . 56 ASN N . 51517 1 371 . 1 . 1 57 57 ILE H H 1 8.595 0.003 . 1 . . 197 . . 57 ILE H . 51517 1 372 . 1 . 1 57 57 ILE N N 15 126.193 0.0 . 1 . . 198 . . 57 ILE N . 51517 1 373 . 1 . 1 58 58 ASP H H 1 8.234 0.005 . 1 . . 263 . . 58 ASP H . 51517 1 374 . 1 . 1 58 58 ASP HA H 1 4.308 0.017 . 1 . . 877 . . 58 ASP HA . 51517 1 375 . 1 . 1 58 58 ASP HB2 H 1 2.666 . . 2 . . 881 . . 58 ASP HB2 . 51517 1 376 . 1 . 1 58 58 ASP HB3 H 1 2.533 . . 2 . . 882 . . 58 ASP HB3 . 51517 1 377 . 1 . 1 58 58 ASP C C 13 177.103 0.006 . 1 . . 367 . . 58 ASP C . 51517 1 378 . 1 . 1 58 58 ASP CA C 13 57.479 0.045 . 1 . . 368 . . 58 ASP CA . 51517 1 379 . 1 . 1 58 58 ASP CB C 13 39.536 0.063 . 1 . . 369 . . 58 ASP CB . 51517 1 380 . 1 . 1 58 58 ASP N N 15 123.014 0.0 . 1 . . 264 . . 58 ASP N . 51517 1 381 . 1 . 1 59 59 ASP H H 1 7.209 0.007 . 1 . . 3 . . 59 ASP H . 51517 1 382 . 1 . 1 59 59 ASP HA H 1 4.197 0.001 . 1 . . 878 . . 59 ASP HA . 51517 1 383 . 1 . 1 59 59 ASP HB2 H 1 2.855 0.006 . 2 . . 879 . . 59 ASP HB2 . 51517 1 384 . 1 . 1 59 59 ASP HB3 H 1 2.635 . . 2 . . 880 . . 59 ASP HB3 . 51517 1 385 . 1 . 1 59 59 ASP C C 13 175.770 0.03 . 1 . . 366 . . 59 ASP C . 51517 1 386 . 1 . 1 59 59 ASP CA C 13 56.701 0.058 . 1 . . 386 . . 59 ASP CA . 51517 1 387 . 1 . 1 59 59 ASP CB C 13 39.707 0.013 . 1 . . 660 . . 59 ASP CB . 51517 1 388 . 1 . 1 59 59 ASP N N 15 122.966 . . 1 . . 4 . . 59 ASP N . 51517 1 389 . 1 . 1 60 60 ALA H H 1 6.789 0.003 . 1 . . 205 . . 60 ALA H . 51517 1 390 . 1 . 1 60 60 ALA HA H 1 3.246 . . 1 . . 883 . . 60 ALA HA . 51517 1 391 . 1 . 1 60 60 ALA HB1 H 1 1.483 . . 1 . . 884 . . 60 ALA HB1 . 51517 1 392 . 1 . 1 60 60 ALA HB2 H 1 1.483 . . 1 . . 884 . . 60 ALA HB2 . 51517 1 393 . 1 . 1 60 60 ALA HB3 H 1 1.483 . . 1 . . 884 . . 60 ALA HB3 . 51517 1 394 . 1 . 1 60 60 ALA C C 13 177.767 . . 1 . . 618 . . 60 ALA C . 51517 1 395 . 1 . 1 60 60 ALA CA C 13 54.477 0.038 . 1 . . 385 . . 60 ALA CA . 51517 1 396 . 1 . 1 60 60 ALA CB C 13 18.001 0.089 . 1 . . 387 . . 60 ALA CB . 51517 1 397 . 1 . 1 60 60 ALA N N 15 121.833 0.0 . 1 . . 206 . . 60 ALA N . 51517 1 398 . 1 . 1 62 62 ASP H H 1 7.563 0.003 . 1 . . 9 . . 62 ASP H . 51517 1 399 . 1 . 1 62 62 ASP HA H 1 4.198 0.013 . 1 . . 885 . . 62 ASP HA . 51517 1 400 . 1 . 1 62 62 ASP HB2 H 1 2.908 0.006 . 2 . . 886 . . 62 ASP HB2 . 51517 1 401 . 1 . 1 62 62 ASP HB3 H 1 2.659 . . 2 . . 887 . . 62 ASP HB3 . 51517 1 402 . 1 . 1 62 62 ASP C C 13 177.446 0.021 . 1 . . 346 . . 62 ASP C . 51517 1 403 . 1 . 1 62 62 ASP CA C 13 56.868 0.04 . 1 . . 345 . . 62 ASP CA . 51517 1 404 . 1 . 1 62 62 ASP CB C 13 39.862 0.086 . 1 . . 398 . . 62 ASP CB . 51517 1 405 . 1 . 1 62 62 ASP N N 15 121.484 . . 1 . . 10 . . 62 ASP N . 51517 1 406 . 1 . 1 63 63 ALA H H 1 7.961 0.004 . 1 . . 245 . . 63 ALA H . 51517 1 407 . 1 . 1 63 63 ALA HB1 H 1 1.133 0.006 . 1 . . 888 . . 63 ALA HB1 . 51517 1 408 . 1 . 1 63 63 ALA HB2 H 1 1.133 0.006 . 1 . . 888 . . 63 ALA HB2 . 51517 1 409 . 1 . 1 63 63 ALA HB3 H 1 1.133 0.006 . 1 . . 888 . . 63 ALA HB3 . 51517 1 410 . 1 . 1 63 63 ALA C C 13 177.670 0.039 . 1 . . 421 . . 63 ALA C . 51517 1 411 . 1 . 1 63 63 ALA CA C 13 54.329 0.005 . 1 . . 419 . . 63 ALA CA . 51517 1 412 . 1 . 1 63 63 ALA CB C 13 19.929 0.079 . 1 . . 661 . . 63 ALA CB . 51517 1 413 . 1 . 1 63 63 ALA N N 15 124.071 0.0 . 1 . . 246 . . 63 ALA N . 51517 1 414 . 1 . 1 64 64 MET H H 1 8.194 0.003 . 1 . . 89 . . 64 MET H . 51517 1 415 . 1 . 1 64 64 MET HA H 1 3.699 . . 1 . . 889 . . 64 MET HA . 51517 1 416 . 1 . 1 64 64 MET HB2 H 1 1.956 . . 1 . . 890 . . 64 MET HB2 . 51517 1 417 . 1 . 1 64 64 MET HG2 H 1 2.244 0.006 . 1 . . 901 . . 64 MET HG2 . 51517 1 418 . 1 . 1 64 64 MET C C 13 176.210 0.019 . 1 . . 420 . . 64 MET C . 51517 1 419 . 1 . 1 64 64 MET CA C 13 59.530 0.053 . 1 . . 470 . . 64 MET CA . 51517 1 420 . 1 . 1 64 64 MET CB C 13 32.783 0.062 . 1 . . 472 . . 64 MET CB . 51517 1 421 . 1 . 1 64 64 MET CG C 13 33.050 0.02 . 1 . . 900 . . 64 MET CG . 51517 1 422 . 1 . 1 64 64 MET N N 15 119.375 0.0 . 1 . . 90 . . 64 MET N . 51517 1 423 . 1 . 1 65 65 MET H H 1 7.623 0.003 . 1 . . 273 . . 65 MET H . 51517 1 424 . 1 . 1 65 65 MET HA H 1 4.199 0.016 . 1 . . 891 . . 65 MET HA . 51517 1 425 . 1 . 1 65 65 MET HB2 H 1 2.071 0.001 . 1 . . 893 . . 65 MET HB2 . 51517 1 426 . 1 . 1 65 65 MET HG2 H 1 2.643 . . 1 . . 892 . . 65 MET HG2 . 51517 1 427 . 1 . 1 65 65 MET C C 13 177.284 0.022 . 1 . . 399 . . 65 MET C . 51517 1 428 . 1 . 1 65 65 MET CA C 13 57.312 0.076 . 1 . . 471 . . 65 MET CA . 51517 1 429 . 1 . 1 65 65 MET CG C 13 31.837 0.09 . 1 . . 697 . . 65 MET CG . 51517 1 430 . 1 . 1 65 65 MET N N 15 117.420 0.0 . 1 . . 274 . . 65 MET N . 51517 1 431 . 1 . 1 66 66 ALA H H 1 7.568 0.004 . 1 . . 41 . . 66 ALA H . 51517 1 432 . 1 . 1 66 66 ALA HA H 1 4.130 0.01 . 1 . . 894 . . 66 ALA HA . 51517 1 433 . 1 . 1 66 66 ALA HB1 H 1 1.204 0.004 . 1 . . 895 . . 66 ALA HB1 . 51517 1 434 . 1 . 1 66 66 ALA HB2 H 1 1.204 0.004 . 1 . . 895 . . 66 ALA HB2 . 51517 1 435 . 1 . 1 66 66 ALA HB3 H 1 1.204 0.004 . 1 . . 895 . . 66 ALA HB3 . 51517 1 436 . 1 . 1 66 66 ALA C C 13 178.502 0.013 . 1 . . 506 . . 66 ALA C . 51517 1 437 . 1 . 1 66 66 ALA CA C 13 54.020 0.085 . 1 . . 397 . . 66 ALA CA . 51517 1 438 . 1 . 1 66 66 ALA CB C 13 20.003 0.053 . 1 . . 509 . . 66 ALA CB . 51517 1 439 . 1 . 1 66 66 ALA N N 15 121.260 0.0 . 1 . . 42 . . 66 ALA N . 51517 1 440 . 1 . 1 67 67 MET H H 1 7.850 0.002 . 1 . . 247 . . 67 MET H . 51517 1 441 . 1 . 1 67 67 MET HA H 1 4.721 0.01 . 1 . . 897 . . 67 MET HA . 51517 1 442 . 1 . 1 67 67 MET HB2 H 1 1.981 0.008 . 2 . . 898 . . 67 MET HB2 . 51517 1 443 . 1 . 1 67 67 MET HB3 H 1 1.710 . . 2 . . 899 . . 67 MET HB3 . 51517 1 444 . 1 . 1 67 67 MET C C 13 176.625 0.016 . 1 . . 435 . . 67 MET C . 51517 1 445 . 1 . 1 67 67 MET CA C 13 53.086 0.018 . 1 . . 507 . . 67 MET CA . 51517 1 446 . 1 . 1 67 67 MET CB C 13 31.316 0.044 . 1 . . 508 . . 67 MET CB . 51517 1 447 . 1 . 1 67 67 MET N N 15 112.784 0.0 . 1 . . 248 . . 67 MET N . 51517 1 448 . 1 . 1 68 68 ASN H H 1 7.511 0.004 . 1 . . 275 . . 68 ASN H . 51517 1 449 . 1 . 1 68 68 ASN HA H 1 4.305 0.006 . 1 . . 896 . . 68 ASN HA . 51517 1 450 . 1 . 1 68 68 ASN HB2 H 1 3.096 . . 2 . . 902 . . 68 ASN HB2 . 51517 1 451 . 1 . 1 68 68 ASN HB3 H 1 2.883 . . 2 . . 903 . . 68 ASN HB3 . 51517 1 452 . 1 . 1 68 68 ASN C C 13 175.376 0.038 . 1 . . 449 . . 68 ASN C . 51517 1 453 . 1 . 1 68 68 ASN CA C 13 56.583 0.058 . 1 . . 447 . . 68 ASN CA . 51517 1 454 . 1 . 1 68 68 ASN CB C 13 38.427 0.063 . 1 . . 436 . . 68 ASN CB . 51517 1 455 . 1 . 1 68 68 ASN N N 15 118.859 0.0 . 1 . . 276 . . 68 ASN N . 51517 1 456 . 1 . 1 69 69 GLY H H 1 8.501 0.005 . 1 . . 163 . . 69 GLY H . 51517 1 457 . 1 . 1 69 69 GLY HA2 H 1 4.215 . . 2 . . 904 . . 69 GLY HA2 . 51517 1 458 . 1 . 1 69 69 GLY HA3 H 1 3.719 . . 2 . . 905 . . 69 GLY HA3 . 51517 1 459 . 1 . 1 69 69 GLY C C 13 173.072 . . 1 . . 450 . . 69 GLY C . 51517 1 460 . 1 . 1 69 69 GLY CA C 13 45.703 0.037 . 1 . . 448 . . 69 GLY CA . 51517 1 461 . 1 . 1 69 69 GLY N N 15 118.139 0.0 . 1 . . 164 . . 69 GLY N . 51517 1 462 . 1 . 1 70 70 LYS HA H 1 4.371 . . 1 . . 906 . . 70 LYS HA . 51517 1 463 . 1 . 1 70 70 LYS C C 13 175.271 . . 1 . . 1169 . . 70 LYS C . 51517 1 464 . 1 . 1 70 70 LYS CA C 13 54.462 0.053 . 1 . . 493 . . 70 LYS CA . 51517 1 465 . 1 . 1 70 70 LYS CB C 13 32.500 . . 1 . . 909 . . 70 LYS CB . 51517 1 466 . 1 . 1 71 71 SER H H 1 7.980 0.003 . 1 . . 103 . . 71 SER H . 51517 1 467 . 1 . 1 71 71 SER HA H 1 5.128 0.01 . 1 . . 908 . . 71 SER HA . 51517 1 468 . 1 . 1 71 71 SER HB2 H 1 3.500 0.014 . 1 . . 907 . . 71 SER HB2 . 51517 1 469 . 1 . 1 71 71 SER C C 13 173.766 0.009 . 1 . . 283 . . 71 SER C . 51517 1 470 . 1 . 1 71 71 SER CA C 13 57.537 0.065 . 1 . . 307 . . 71 SER CA . 51517 1 471 . 1 . 1 71 71 SER CB C 13 64.061 0.045 . 1 . . 308 . . 71 SER CB . 51517 1 472 . 1 . 1 71 71 SER N N 15 115.072 0.0 . 1 . . 104 . . 71 SER N . 51517 1 473 . 1 . 1 72 72 VAL H H 1 8.821 0.003 . 1 . . 127 . . 72 VAL H . 51517 1 474 . 1 . 1 72 72 VAL HA H 1 4.045 . . 1 . . 912 . . 72 VAL HA . 51517 1 475 . 1 . 1 72 72 VAL HG11 H 1 0.732 . . 1 . . 914 . . 72 VAL HG11 . 51517 1 476 . 1 . 1 72 72 VAL HG12 H 1 0.732 . . 1 . . 914 . . 72 VAL HG12 . 51517 1 477 . 1 . 1 72 72 VAL HG13 H 1 0.732 . . 1 . . 914 . . 72 VAL HG13 . 51517 1 478 . 1 . 1 72 72 VAL C C 13 175.081 0.033 . 1 . . 280 . . 72 VAL C . 51517 1 479 . 1 . 1 72 72 VAL CA C 13 61.799 0.038 . 1 . . 291 . . 72 VAL CA . 51517 1 480 . 1 . 1 72 72 VAL CB C 13 34.422 0.01 . 1 . . 662 . . 72 VAL CB . 51517 1 481 . 1 . 1 72 72 VAL CG1 C 13 20.919 . . 1 . . 913 . . 72 VAL CG1 . 51517 1 482 . 1 . 1 72 72 VAL N N 15 127.389 0.013 . 1 . . 128 . . 72 VAL N . 51517 1 483 . 1 . 1 73 73 ASP H H 1 9.358 0.006 . 1 . . 223 . . 73 ASP H . 51517 1 484 . 1 . 1 73 73 ASP HA H 1 4.224 . . 1 . . 911 . . 73 ASP HA . 51517 1 485 . 1 . 1 73 73 ASP C C 13 174.128 0.013 . 1 . . 278 . . 73 ASP C . 51517 1 486 . 1 . 1 73 73 ASP CA C 13 55.465 0.085 . 1 . . 544 . . 73 ASP CA . 51517 1 487 . 1 . 1 73 73 ASP CB C 13 39.195 0.009 . 1 . . 663 . . 73 ASP CB . 51517 1 488 . 1 . 1 73 73 ASP N N 15 130.656 0.001 . 1 . . 224 . . 73 ASP N . 51517 1 489 . 1 . 1 74 74 GLY H H 1 8.254 0.002 . 1 . . 5 . . 74 GLY H . 51517 1 490 . 1 . 1 74 74 GLY HA2 H 1 4.081 . . 2 . . 920 . . 74 GLY HA2 . 51517 1 491 . 1 . 1 74 74 GLY HA3 H 1 3.459 . . 2 . . 921 . . 74 GLY HA3 . 51517 1 492 . 1 . 1 74 74 GLY C C 13 172.841 0.016 . 1 . . 545 . . 74 GLY C . 51517 1 493 . 1 . 1 74 74 GLY CA C 13 45.195 0.079 . 1 . . 277 . . 74 GLY CA . 51517 1 494 . 1 . 1 74 74 GLY N N 15 102.955 0.0 . 1 . . 6 . . 74 GLY N . 51517 1 495 . 1 . 1 75 75 ARG H H 1 7.420 0.002 . 1 . . 71 . . 75 ARG H . 51517 1 496 . 1 . 1 75 75 ARG HA H 1 4.571 0.01 . 1 . . 915 . . 75 ARG HA . 51517 1 497 . 1 . 1 75 75 ARG HB2 H 1 1.634 0.007 . 2 . . 916 . . 75 ARG HB2 . 51517 1 498 . 1 . 1 75 75 ARG HB3 H 1 1.903 0.008 . 2 . . 917 . . 75 ARG HB3 . 51517 1 499 . 1 . 1 75 75 ARG HG2 H 1 1.472 . . 1 . . 919 . . 75 ARG HG2 . 51517 1 500 . 1 . 1 75 75 ARG HD2 H 1 3.090 . . 1 . . 927 . . 75 ARG HD2 . 51517 1 501 . 1 . 1 75 75 ARG C C 13 173.135 0.033 . 1 . . 390 . . 75 ARG C . 51517 1 502 . 1 . 1 75 75 ARG CA C 13 52.824 0.062 . 1 . . 391 . . 75 ARG CA . 51517 1 503 . 1 . 1 75 75 ARG CB C 13 32.216 0.045 . 1 . . 362 . . 75 ARG CB . 51517 1 504 . 1 . 1 75 75 ARG CG C 13 26.425 . . 1 . . 918 . . 75 ARG CG . 51517 1 505 . 1 . 1 75 75 ARG CD C 13 42.169 . . 1 . . 926 . . 75 ARG CD . 51517 1 506 . 1 . 1 75 75 ARG N N 15 121.640 0.0 . 1 . . 72 . . 75 ARG N . 51517 1 507 . 1 . 1 76 76 GLN H H 1 8.296 0.001 . 1 . . 231 . . 76 GLN H . 51517 1 508 . 1 . 1 76 76 GLN HA H 1 4.307 0.005 . 1 . . 922 . . 76 GLN HA . 51517 1 509 . 1 . 1 76 76 GLN HB2 H 1 1.813 0.01 . 1 . . 923 . . 76 GLN HB2 . 51517 1 510 . 1 . 1 76 76 GLN HG2 H 1 2.110 0.003 . 1 . . 925 . . 76 GLN HG2 . 51517 1 511 . 1 . 1 76 76 GLN C C 13 174.926 0.007 . 1 . . 354 . . 76 GLN C . 51517 1 512 . 1 . 1 76 76 GLN CA C 13 55.757 0.03 . 1 . . 355 . . 76 GLN CA . 51517 1 513 . 1 . 1 76 76 GLN CB C 13 28.818 0.067 . 1 . . 356 . . 76 GLN CB . 51517 1 514 . 1 . 1 76 76 GLN CG C 13 34.501 0.095 . 1 . . 924 . . 76 GLN CG . 51517 1 515 . 1 . 1 76 76 GLN N N 15 123.341 0.0 . 1 . . 232 . . 76 GLN N . 51517 1 516 . 1 . 1 77 77 ILE H H 1 8.296 0.001 . 1 . . 139 . . 77 ILE H . 51517 1 517 . 1 . 1 77 77 ILE C C 13 174.933 . . 1 . . 353 . . 77 ILE C . 51517 1 518 . 1 . 1 77 77 ILE N N 15 123.736 0.0 . 1 . . 140 . . 77 ILE N . 51517 1 519 . 1 . 1 78 78 ARG HA H 1 4.954 . . 1 . . 928 . . 78 ARG HA . 51517 1 520 . 1 . 1 78 78 ARG HB2 H 1 1.657 . . 1 . . 931 . . 78 ARG HB2 . 51517 1 521 . 1 . 1 78 78 ARG HG2 H 1 1.561 . . 1 . . 935 . . 78 ARG HG2 . 51517 1 522 . 1 . 1 78 78 ARG C C 13 173.557 . . 1 . . 325 . . 78 ARG C . 51517 1 523 . 1 . 1 78 78 ARG CA C 13 53.654 0.018 . 1 . . 326 . . 78 ARG CA . 51517 1 524 . 1 . 1 78 78 ARG CB C 13 32.678 0.088 . 1 . . 327 . . 78 ARG CB . 51517 1 525 . 1 . 1 78 78 ARG CG C 13 27.523 . . 1 . . 934 . . 78 ARG CG . 51517 1 526 . 1 . 1 79 79 VAL H H 1 8.559 0.002 . 1 . . 265 . . 79 VAL H . 51517 1 527 . 1 . 1 79 79 VAL HA H 1 5.329 0.006 . 1 . . 932 . . 79 VAL HA . 51517 1 528 . 1 . 1 79 79 VAL HB H 1 1.875 . . 1 . . 933 . . 79 VAL HB . 51517 1 529 . 1 . 1 79 79 VAL HG11 H 1 0.985 . . 1 . . 930 . . 79 VAL HG11 . 51517 1 530 . 1 . 1 79 79 VAL HG12 H 1 0.985 . . 1 . . 930 . . 79 VAL HG12 . 51517 1 531 . 1 . 1 79 79 VAL HG13 H 1 0.985 . . 1 . . 930 . . 79 VAL HG13 . 51517 1 532 . 1 . 1 79 79 VAL C C 13 172.586 0.028 . 1 . . 287 . . 79 VAL C . 51517 1 533 . 1 . 1 79 79 VAL CA C 13 60.244 0.049 . 1 . . 310 . . 79 VAL CA . 51517 1 534 . 1 . 1 79 79 VAL CB C 13 34.415 0.093 . 1 . . 311 . . 79 VAL CB . 51517 1 535 . 1 . 1 79 79 VAL CG1 C 13 22.601 . . 1 . . 929 . . 79 VAL CG1 . 51517 1 536 . 1 . 1 79 79 VAL N N 15 125.344 . . 1 . . 266 . . 79 VAL N . 51517 1 537 . 1 . 1 80 80 ASP H H 1 9.002 0.005 . 1 . . 155 . . 80 ASP H . 51517 1 538 . 1 . 1 80 80 ASP HA H 1 5.146 0.011 . 1 . . 936 . . 80 ASP HA . 51517 1 539 . 1 . 1 80 80 ASP HB2 H 1 2.475 0.007 . 2 . . 937 . . 80 ASP HB2 . 51517 1 540 . 1 . 1 80 80 ASP HB3 H 1 2.723 0.011 . 2 . . 938 . . 80 ASP HB3 . 51517 1 541 . 1 . 1 80 80 ASP C C 13 174.171 0.003 . 1 . . 309 . . 80 ASP C . 51517 1 542 . 1 . 1 80 80 ASP CA C 13 51.948 0.081 . 1 . . 360 . . 80 ASP CA . 51517 1 543 . 1 . 1 80 80 ASP CB C 13 44.892 0.098 . 1 . . 361 . . 80 ASP CB . 51517 1 544 . 1 . 1 80 80 ASP N N 15 126.658 0.028 . 1 . . 156 . . 80 ASP N . 51517 1 545 . 1 . 1 81 81 GLN H H 1 8.997 0.002 . 1 . . 211 . . 81 GLN H . 51517 1 546 . 1 . 1 81 81 GLN HA H 1 4.368 0.005 . 1 . . 939 . . 81 GLN HA . 51517 1 547 . 1 . 1 81 81 GLN HB2 H 1 2.172 0.014 . 2 . . 942 . . 81 GLN HB2 . 51517 1 548 . 1 . 1 81 81 GLN HB3 H 1 1.937 0.012 . 2 . . 943 . . 81 GLN HB3 . 51517 1 549 . 1 . 1 81 81 GLN HG2 H 1 2.405 0.004 . 1 . . 941 . . 81 GLN HG2 . 51517 1 550 . 1 . 1 81 81 GLN C C 13 175.466 0.011 . 1 . . 359 . . 81 GLN C . 51517 1 551 . 1 . 1 81 81 GLN CA C 13 57.233 0.05 . 1 . . 300 . . 81 GLN CA . 51517 1 552 . 1 . 1 81 81 GLN CB C 13 29.417 0.07 . 1 . . 301 . . 81 GLN CB . 51517 1 553 . 1 . 1 81 81 GLN CG C 13 34.975 0.055 . 1 . . 940 . . 81 GLN CG . 51517 1 554 . 1 . 1 81 81 GLN N N 15 123.298 0.0 . 1 . . 212 . . 81 GLN N . 51517 1 555 . 1 . 1 82 82 ALA H H 1 8.497 0.004 . 1 . . 91 . . 82 ALA H . 51517 1 556 . 1 . 1 82 82 ALA HA H 1 4.342 0.01 . 1 . . 944 . . 82 ALA HA . 51517 1 557 . 1 . 1 82 82 ALA HB1 H 1 1.417 0.005 . 1 . . 945 . . 82 ALA HB1 . 51517 1 558 . 1 . 1 82 82 ALA HB2 H 1 1.417 0.005 . 1 . . 945 . . 82 ALA HB2 . 51517 1 559 . 1 . 1 82 82 ALA HB3 H 1 1.417 0.005 . 1 . . 945 . . 82 ALA HB3 . 51517 1 560 . 1 . 1 82 82 ALA C C 13 176.871 . . 1 . . 537 . . 82 ALA C . 51517 1 561 . 1 . 1 82 82 ALA CA C 13 53.372 0.08 . 1 . . 536 . . 82 ALA CA . 51517 1 562 . 1 . 1 82 82 ALA CB C 13 19.143 0.121 . 1 . . 664 . . 82 ALA CB . 51517 1 563 . 1 . 1 82 82 ALA N N 15 128.551 0.009 . 1 . . 92 . . 82 ALA N . 51517 1 564 . 1 . 1 83 83 GLY H H 1 8.533 0.002 . 1 . . 217 . . 83 GLY H . 51517 1 565 . 1 . 1 83 83 GLY HA2 H 1 3.864 . . 1 . . 946 . . 83 GLY HA2 . 51517 1 566 . 1 . 1 83 83 GLY C C 13 172.931 0.015 . 1 . . 1160 . . 83 GLY C . 51517 1 567 . 1 . 1 83 83 GLY CA C 13 45.034 0.07 . 1 . . 706 . . 83 GLY CA . 51517 1 568 . 1 . 1 83 83 GLY N N 15 108.987 0.0 . 1 . . 218 . . 83 GLY N . 51517 1 569 . 1 . 1 84 84 LYS HA H 1 4.200 . . 1 . . 1172 . . 84 LYS HA . 51517 1 570 . 1 . 1 84 84 LYS HB2 H 1 1.849 . . 1 . . 1173 . . 84 LYS HB2 . 51517 1 571 . 1 . 1 84 84 LYS CA C 13 56.113 0.083 . 1 . . 1167 . . 84 LYS CA . 51517 1 572 . 1 . 1 84 84 LYS CB C 13 30.311 0.096 . 1 . . 1168 . . 84 LYS CB . 51517 1 573 . 1 . 1 85 85 SER H H 1 8.136 0.007 . 1 . . 47 . . 85 SER H . 51517 1 574 . 1 . 1 85 85 SER HA H 1 4.330 0.019 . 1 . . 947 . . 85 SER HA . 51517 1 575 . 1 . 1 85 85 SER HB2 H 1 3.742 0.007 . 1 . . 948 . . 85 SER HB2 . 51517 1 576 . 1 . 1 85 85 SER C C 13 173.752 0.038 . 1 . . 415 . . 85 SER C . 51517 1 577 . 1 . 1 85 85 SER CA C 13 58.284 0.061 . 1 . . 417 . . 85 SER CA . 51517 1 578 . 1 . 1 85 85 SER CB C 13 63.552 0.023 . 1 . . 416 . . 85 SER CB . 51517 1 579 . 1 . 1 85 85 SER N N 15 118.330 0.0 . 1 . . 48 . . 85 SER N . 51517 1 580 . 1 . 1 86 86 SER H H 1 8.252 0.001 . 1 . . 19 . . 86 SER H . 51517 1 581 . 1 . 1 86 86 SER HA H 1 4.300 . . 1 . . 950 . . 86 SER HA . 51517 1 582 . 1 . 1 86 86 SER HB2 H 1 3.784 0.017 . 1 . . 949 . . 86 SER HB2 . 51517 1 583 . 1 . 1 86 86 SER C C 13 173.004 . . 1 . . 358 . . 86 SER C . 51517 1 584 . 1 . 1 86 86 SER CA C 13 58.433 0.083 . 1 . . 699 . . 86 SER CA . 51517 1 585 . 1 . 1 86 86 SER CB C 13 63.458 0.033 . 1 . . 698 . . 86 SER CB . 51517 1 586 . 1 . 1 86 86 SER N N 15 119.810 . . 1 . . 20 . . 86 SER N . 51517 1 587 . 1 . 1 87 87 ASP H H 1 8.032 0.004 . 1 . . 195 . . 87 ASP H . 51517 1 588 . 1 . 1 87 87 ASP HA H 1 4.481 0.015 . 1 . . 951 . . 87 ASP HA . 51517 1 589 . 1 . 1 87 87 ASP HB2 H 1 2.547 . . 1 . . 952 . . 87 ASP HB2 . 51517 1 590 . 1 . 1 87 87 ASP C C 13 174.701 0.018 . 1 . . 655 . . 87 ASP C . 51517 1 591 . 1 . 1 87 87 ASP CA C 13 54.120 0.046 . 1 . . 401 . . 87 ASP CA . 51517 1 592 . 1 . 1 87 87 ASP CB C 13 40.945 0.029 . 1 . . 402 . . 87 ASP CB . 51517 1 593 . 1 . 1 87 87 ASP N N 15 123.479 0.0 . 1 . . 196 . . 87 ASP N . 51517 1 594 . 1 . 1 88 88 ASN H H 1 8.119 0.003 . 1 . . 61 . . 88 ASN H . 51517 1 595 . 1 . 1 88 88 ASN HA H 1 4.546 0.008 . 1 . . 953 . . 88 ASN HA . 51517 1 596 . 1 . 1 88 88 ASN HB2 H 1 2.674 . . 1 . . 954 . . 88 ASN HB2 . 51517 1 597 . 1 . 1 88 88 ASN C C 13 174.050 0.009 . 1 . . 585 . . 88 ASN C . 51517 1 598 . 1 . 1 88 88 ASN CA C 13 53.269 0.11 . 1 . . 586 . . 88 ASN CA . 51517 1 599 . 1 . 1 88 88 ASN CB C 13 38.427 0.064 . 1 . . 587 . . 88 ASN CB . 51517 1 600 . 1 . 1 88 88 ASN N N 15 120.913 0.0 . 1 . . 62 . . 88 ASN N . 51517 1 601 . 1 . 1 89 89 ARG H H 1 8.014 0.003 . 1 . . 564 . . 89 ARG H . 51517 1 602 . 1 . 1 89 89 ARG HA H 1 4.250 0.014 . 1 . . 955 . . 89 ARG HA . 51517 1 603 . 1 . 1 89 89 ARG HB2 H 1 1.754 0.012 . 2 . . 956 . . 89 ARG HB2 . 51517 1 604 . 1 . 1 89 89 ARG HB3 H 1 1.662 . . 2 . . 957 . . 89 ARG HB3 . 51517 1 605 . 1 . 1 89 89 ARG HG2 H 1 1.550 . . 2 . . 959 . . 89 ARG HG2 . 51517 1 606 . 1 . 1 89 89 ARG HG3 H 1 1.489 . . 2 . . 960 . . 89 ARG HG3 . 51517 1 607 . 1 . 1 89 89 ARG CA C 13 56.148 0.061 . 1 . . 701 . . 89 ARG CA . 51517 1 608 . 1 . 1 89 89 ARG CB C 13 30.504 0.075 . 1 . . 702 . . 89 ARG CB . 51517 1 609 . 1 . 1 89 89 ARG CG C 13 26.710 . . 1 . . 958 . . 89 ARG CG . 51517 1 610 . 1 . 1 89 89 ARG N N 15 122.266 0.0 . 1 . . 565 . . 89 ARG N . 51517 1 611 . 1 . 1 90 90 SER H H 1 8.116 0.002 . 1 . . 568 . . 90 SER H . 51517 1 612 . 1 . 1 90 90 SER HA H 1 4.327 . . 1 . . 962 . . 90 SER HA . 51517 1 613 . 1 . 1 90 90 SER HB2 H 1 3.763 0.006 . 1 . . 961 . . 90 SER HB2 . 51517 1 614 . 1 . 1 90 90 SER C C 13 172.241 0.028 . 1 . . 687 . . 90 SER C . 51517 1 615 . 1 . 1 90 90 SER CA C 13 58.359 0.073 . 1 . . 295 . . 90 SER CA . 51517 1 616 . 1 . 1 90 90 SER CB C 13 63.613 0.03 . 1 . . 601 . . 90 SER CB . 51517 1 617 . 1 . 1 90 90 SER N N 15 118.537 . . 1 . . 569 . . 90 SER N . 51517 1 618 . 1 . 1 91 91 ARG H H 1 7.707 0.004 . 1 . . 115 . . 91 ARG H . 51517 1 619 . 1 . 1 91 91 ARG HA H 1 4.112 . . 1 . . 963 . . 91 ARG HA . 51517 1 620 . 1 . 1 91 91 ARG HB2 H 1 1.653 . . 1 . . 964 . . 91 ARG HB2 . 51517 1 621 . 1 . 1 91 91 ARG HG2 H 1 1.488 . . 1 . . 966 . . 91 ARG HG2 . 51517 1 622 . 1 . 1 91 91 ARG C C 13 175.009 . . 1 . . 685 . . 91 ARG C . 51517 1 623 . 1 . 1 91 91 ARG CA C 13 57.414 0.031 . 1 . . 294 . . 91 ARG CA . 51517 1 624 . 1 . 1 91 91 ARG CB C 13 31.393 0.068 . 1 . . 657 . . 91 ARG CB . 51517 1 625 . 1 . 1 91 91 ARG CG C 13 27.152 . . 1 . . 965 . . 91 ARG CG . 51517 1 626 . 1 . 1 91 91 ARG N N 15 129.125 0.0 . 1 . . 116 . . 91 ARG N . 51517 1 627 . 1 . 1 92 92 GLY HA2 H 1 3.795 . . 1 . . 968 . . 92 GLY HA2 . 51517 1 628 . 1 . 1 92 92 GLY C C 13 172.690 0.012 . 1 . . 692 . . 92 GLY C . 51517 1 629 . 1 . 1 92 92 GLY CA C 13 44.984 0.034 . 1 . . 691 . . 92 GLY CA . 51517 1 630 . 1 . 1 93 93 TYR H H 1 7.928 0.0 . 1 . . 689 . . 93 TYR H . 51517 1 631 . 1 . 1 93 93 TYR HA H 1 4.459 0.014 . 1 . . 967 . . 93 TYR HA . 51517 1 632 . 1 . 1 93 93 TYR HB2 H 1 2.916 . . 1 . . 969 . . 93 TYR HB2 . 51517 1 633 . 1 . 1 93 93 TYR C C 13 174.733 0.024 . 1 . . 312 . . 93 TYR C . 51517 1 634 . 1 . 1 93 93 TYR CA C 13 57.912 0.085 . 1 . . 700 . . 93 TYR CA . 51517 1 635 . 1 . 1 93 93 TYR CB C 13 38.660 0.074 . 1 . . 756 . . 93 TYR CB . 51517 1 636 . 1 . 1 93 93 TYR N N 15 121.649 0.0 . 1 . . 690 . . 93 TYR N . 51517 1 637 . 1 . 1 94 94 ARG H H 1 8.150 0.002 . 1 . . 753 . . 94 ARG H . 51517 1 638 . 1 . 1 94 94 ARG HA H 1 4.185 0.017 . 1 . . 970 . . 94 ARG HA . 51517 1 639 . 1 . 1 94 94 ARG HB2 H 1 1.587 . . 2 . . 971 . . 94 ARG HB2 . 51517 1 640 . 1 . 1 94 94 ARG HB3 H 1 2.227 . . 2 . . 972 . . 94 ARG HB3 . 51517 1 641 . 1 . 1 94 94 ARG HG2 H 1 1.445 . . 1 . . 974 . . 94 ARG HG2 . 51517 1 642 . 1 . 1 94 94 ARG C C 13 174.957 0.054 . 1 . . 758 . . 94 ARG C . 51517 1 643 . 1 . 1 94 94 ARG CA C 13 55.750 0.066 . 1 . . 757 . . 94 ARG CA . 51517 1 644 . 1 . 1 94 94 ARG CB C 13 30.505 0.06 . 1 . . 755 . . 94 ARG CB . 51517 1 645 . 1 . 1 94 94 ARG CG C 13 26.935 . . 1 . . 973 . . 94 ARG CG . 51517 1 646 . 1 . 1 94 94 ARG N N 15 125.984 0.0 . 1 . . 754 . . 94 ARG N . 51517 1 647 . 1 . 1 95 95 GLY H H 1 7.561 0.003 . 1 . . 177 . . 95 GLY H . 51517 1 648 . 1 . 1 95 95 GLY HA2 H 1 3.847 0.02 . 1 . . 975 . . 95 GLY HA2 . 51517 1 649 . 1 . 1 95 95 GLY C C 13 173.164 0.015 . 1 . . 526 . . 95 GLY C . 51517 1 650 . 1 . 1 95 95 GLY CA C 13 45.123 0.031 . 1 . . 652 . . 95 GLY CA . 51517 1 651 . 1 . 1 95 95 GLY N N 15 110.670 0.0 . 1 . . 178 . . 95 GLY N . 51517 1 652 . 1 . 1 96 96 GLY H H 1 8.105 0.001 . 1 . . 95 . . 96 GLY H . 51517 1 653 . 1 . 1 96 96 GLY HA2 H 1 3.894 0.012 . 1 . . 976 . . 96 GLY HA2 . 51517 1 654 . 1 . 1 96 96 GLY C C 13 173.145 0.015 . 1 . . 469 . . 96 GLY C . 51517 1 655 . 1 . 1 96 96 GLY CA C 13 44.996 0.063 . 1 . . 467 . . 96 GLY CA . 51517 1 656 . 1 . 1 96 96 GLY N N 15 110.264 0.0 . 1 . . 96 . . 96 GLY N . 51517 1 657 . 1 . 1 97 97 SER H H 1 8.154 0.002 . 1 . . 261 . . 97 SER H . 51517 1 658 . 1 . 1 97 97 SER HA H 1 4.382 0.014 . 1 . . 977 . . 97 SER HA . 51517 1 659 . 1 . 1 97 97 SER HB2 H 1 3.804 0.007 . 1 . . 978 . . 97 SER HB2 . 51517 1 660 . 1 . 1 97 97 SER C C 13 173.379 0.001 . 1 . . 476 . . 97 SER C . 51517 1 661 . 1 . 1 97 97 SER CA C 13 58.186 0.077 . 1 . . 703 . . 97 SER CA . 51517 1 662 . 1 . 1 97 97 SER CB C 13 63.760 0.071 . 1 . . 704 . . 97 SER CB . 51517 1 663 . 1 . 1 97 97 SER N N 15 117.448 . . 1 . . 262 . . 97 SER N . 51517 1 664 . 1 . 1 98 98 ALA H H 1 8.279 0.004 . 1 . . 113 . . 98 ALA H . 51517 1 665 . 1 . 1 98 98 ALA HA H 1 4.233 . . 1 . . 979 . . 98 ALA HA . 51517 1 666 . 1 . 1 98 98 ALA HB1 H 1 1.314 0.006 . 1 . . 980 . . 98 ALA HB1 . 51517 1 667 . 1 . 1 98 98 ALA HB2 H 1 1.314 0.006 . 1 . . 980 . . 98 ALA HB2 . 51517 1 668 . 1 . 1 98 98 ALA HB3 H 1 1.314 0.006 . 1 . . 980 . . 98 ALA HB3 . 51517 1 669 . 1 . 1 98 98 ALA C C 13 176.993 0.021 . 1 . . 306 . . 98 ALA C . 51517 1 670 . 1 . 1 98 98 ALA CA C 13 52.673 0.055 . 1 . . 527 . . 98 ALA CA . 51517 1 671 . 1 . 1 98 98 ALA CB C 13 18.893 0.061 . 1 . . 529 . . 98 ALA CB . 51517 1 672 . 1 . 1 98 98 ALA N N 15 127.697 0.0 . 1 . . 114 . . 98 ALA N . 51517 1 673 . 1 . 1 99 99 GLY H H 1 8.125 0.002 . 1 . . 171 . . 99 GLY H . 51517 1 674 . 1 . 1 99 99 GLY HA2 H 1 3.864 0.012 . 1 . . 981 . . 99 GLY HA2 . 51517 1 675 . 1 . 1 99 99 GLY C C 13 173.479 0.006 . 1 . . 609 . . 99 GLY C . 51517 1 676 . 1 . 1 99 99 GLY CA C 13 45.137 0.078 . 1 . . 528 . . 99 GLY CA . 51517 1 677 . 1 . 1 99 99 GLY N N 15 109.496 . . 1 . . 172 . . 99 GLY N . 51517 1 678 . 1 . 1 100 100 GLY H H 1 8.049 0.0 . 1 . . 560 . . 100 GLY H . 51517 1 679 . 1 . 1 100 100 GLY HA2 H 1 3.871 0.021 . 1 . . 982 . . 100 GLY HA2 . 51517 1 680 . 1 . 1 100 100 GLY C C 13 173.097 0.018 . 1 . . 624 . . 100 GLY C . 51517 1 681 . 1 . 1 100 100 GLY CA C 13 45.049 0.061 . 1 . . 610 . . 100 GLY CA . 51517 1 682 . 1 . 1 100 100 GLY N N 15 110.204 . . 1 . . 561 . . 100 GLY N . 51517 1 683 . 1 . 1 101 101 ARG H H 1 8.107 0.003 . 1 . . 167 . . 101 ARG H . 51517 1 684 . 1 . 1 101 101 ARG HA H 1 4.242 0.004 . 1 . . 983 . . 101 ARG HA . 51517 1 685 . 1 . 1 101 101 ARG HB2 H 1 1.787 . . 2 . . 984 . . 101 ARG HB2 . 51517 1 686 . 1 . 1 101 101 ARG HB3 H 1 1.650 . . 2 . . 985 . . 101 ARG HB3 . 51517 1 687 . 1 . 1 101 101 ARG HG2 H 1 1.554 . . 1 . . 987 . . 101 ARG HG2 . 51517 1 688 . 1 . 1 101 101 ARG C C 13 175.605 0.041 . 1 . . 731 . . 101 ARG C . 51517 1 689 . 1 . 1 101 101 ARG CA C 13 56.082 0.059 . 1 . . 653 . . 101 ARG CA . 51517 1 690 . 1 . 1 101 101 ARG CB C 13 30.552 0.054 . 1 . . 705 . . 101 ARG CB . 51517 1 691 . 1 . 1 101 101 ARG CG C 13 26.931 . . 1 . . 986 . . 101 ARG CG . 51517 1 692 . 1 . 1 101 101 ARG N N 15 121.976 0.0 . 1 . . 168 . . 101 ARG N . 51517 1 693 . 1 . 1 102 102 GLY H H 1 8.230 0.002 . 1 . . 269 . . 102 GLY H . 51517 1 694 . 1 . 1 102 102 GLY HA2 H 1 3.777 0.007 . 1 . . 988 . . 102 GLY HA2 . 51517 1 695 . 1 . 1 102 102 GLY C C 13 172.356 0.011 . 1 . . 1162 . . 102 GLY C . 51517 1 696 . 1 . 1 102 102 GLY CA C 13 44.947 0.069 . 1 . . 1161 . . 102 GLY CA . 51517 1 697 . 1 . 1 102 102 GLY N N 15 111.109 0.0 . 1 . . 270 . . 102 GLY N . 51517 1 698 . 1 . 1 105 105 ARG H H 1 8.118 0.004 . 1 . . 243 . . 105 ARG H . 51517 1 699 . 1 . 1 105 105 ARG HA H 1 4.158 0.003 . 1 . . 991 . . 105 ARG HA . 51517 1 700 . 1 . 1 105 105 ARG HB2 H 1 1.579 . . 1 . . 992 . . 105 ARG HB2 . 51517 1 701 . 1 . 1 105 105 ARG HG2 H 1 1.467 . . 1 . . 994 . . 105 ARG HG2 . 51517 1 702 . 1 . 1 105 105 ARG C C 13 175.090 0.031 . 1 . . 580 . . 105 ARG C . 51517 1 703 . 1 . 1 105 105 ARG CA C 13 55.942 0.112 . 1 . . 515 . . 105 ARG CA . 51517 1 704 . 1 . 1 105 105 ARG CB C 13 30.527 0.07 . 1 . . 317 . . 105 ARG CB . 51517 1 705 . 1 . 1 105 105 ARG CG C 13 27.065 . . 1 . . 993 . . 105 ARG CG . 51517 1 706 . 1 . 1 105 105 ARG N N 15 125.593 0.0 . 1 . . 244 . . 105 ARG N . 51517 1 707 . 1 . 1 106 106 GLY H H 1 7.697 0.003 . 1 . . 105 . . 106 GLY H . 51517 1 708 . 1 . 1 106 106 GLY HA2 H 1 3.851 0.019 . 1 . . 995 . . 106 GLY HA2 . 51517 1 709 . 1 . 1 106 106 GLY C C 13 173.158 0.015 . 1 . . 732 . . 106 GLY C . 51517 1 710 . 1 . 1 106 106 GLY CA C 13 45.114 0.035 . 1 . . 707 . . 106 GLY CA . 51517 1 711 . 1 . 1 106 106 GLY N N 15 110.935 0.0 . 1 . . 106 . . 106 GLY N . 51517 1 712 . 1 . 1 107 107 GLY H H 1 8.080 0.003 . 1 . . 628 . . 107 GLY H . 51517 1 713 . 1 . 1 107 107 GLY HA2 H 1 3.881 . . 1 . . 996 . . 107 GLY HA2 . 51517 1 714 . 1 . 1 107 107 GLY C C 13 172.890 . . 1 . . 1181 . . 107 GLY C . 51517 1 715 . 1 . 1 107 107 GLY CA C 13 45.072 . . 1 . . 1180 . . 107 GLY CA . 51517 1 716 . 1 . 1 107 107 GLY N N 15 110.253 . . 1 . . 629 . . 107 GLY N . 51517 1 717 . 1 . 1 108 108 ARG H H 1 8.167 0.002 . 1 . . 578 . . 108 ARG H . 51517 1 718 . 1 . 1 108 108 ARG HA H 1 4.253 0.002 . 1 . . 997 . . 108 ARG HA . 51517 1 719 . 1 . 1 108 108 ARG HB2 H 1 1.748 0.016 . 2 . . 998 . . 108 ARG HB2 . 51517 1 720 . 1 . 1 108 108 ARG HB3 H 1 1.656 . . 2 . . 999 . . 108 ARG HB3 . 51517 1 721 . 1 . 1 108 108 ARG HG2 H 1 1.518 0.019 . 1 . . 1001 . . 108 ARG HG2 . 51517 1 722 . 1 . 1 108 108 ARG C C 13 175.632 0.011 . 1 . . 733 . . 108 ARG C . 51517 1 723 . 1 . 1 108 108 ARG CA C 13 56.082 0.049 . 1 . . 709 . . 108 ARG CA . 51517 1 724 . 1 . 1 108 108 ARG CB C 13 30.583 0.107 . 1 . . 708 . . 108 ARG CB . 51517 1 725 . 1 . 1 108 108 ARG CG C 13 26.997 0.092 . 1 . . 1000 . . 108 ARG CG . 51517 1 726 . 1 . 1 108 108 ARG N N 15 122.062 0.0 . 1 . . 579 . . 108 ARG N . 51517 1 727 . 1 . 1 109 109 GLY H H 1 8.313 0.004 . 1 . . 574 . . 109 GLY H . 51517 1 728 . 1 . 1 109 109 GLY HA2 H 1 3.858 0.005 . 1 . . 1002 . . 109 GLY HA2 . 51517 1 729 . 1 . 1 109 109 GLY C C 13 172.794 0.02 . 1 . . 676 . . 109 GLY C . 51517 1 730 . 1 . 1 109 109 GLY CA C 13 44.956 0.079 . 1 . . 710 . . 109 GLY CA . 51517 1 731 . 1 . 1 109 109 GLY N N 15 111.528 0.0 . 1 . . 575 . . 109 GLY N . 51517 1 732 . 1 . 1 110 110 ARG H H 1 8.087 0.003 . 1 . . 566 . . 110 ARG H . 51517 1 733 . 1 . 1 110 110 ARG HA H 1 4.247 0.01 . 1 . . 1003 . . 110 ARG HA . 51517 1 734 . 1 . 1 110 110 ARG HB2 H 1 1.648 . . 2 . . 1004 . . 110 ARG HB2 . 51517 1 735 . 1 . 1 110 110 ARG HB3 H 1 1.735 0.017 . 2 . . 1005 . . 110 ARG HB3 . 51517 1 736 . 1 . 1 110 110 ARG HG2 H 1 1.519 0.007 . 1 . . 1007 . . 110 ARG HG2 . 51517 1 737 . 1 . 1 110 110 ARG C C 13 175.609 0.036 . 1 . . 608 . . 110 ARG C . 51517 1 738 . 1 . 1 110 110 ARG CA C 13 56.035 0.028 . 1 . . 695 . . 110 ARG CA . 51517 1 739 . 1 . 1 110 110 ARG CB C 13 30.630 0.074 . 1 . . 696 . . 110 ARG CB . 51517 1 740 . 1 . 1 110 110 ARG CG C 13 27.005 0.036 . 1 . . 1006 . . 110 ARG CG . 51517 1 741 . 1 . 1 110 110 ARG N N 15 121.997 0.008 . 1 . . 567 . . 110 ARG N . 51517 1 742 . 1 . 1 111 111 GLY H H 1 8.297 0.001 . 1 . . 693 . . 111 GLY H . 51517 1 743 . 1 . 1 111 111 GLY HA2 H 1 3.852 0.014 . 1 . . 1008 . . 111 GLY HA2 . 51517 1 744 . 1 . 1 111 111 GLY C C 13 172.799 0.035 . 1 . . 379 . . 111 GLY C . 51517 1 745 . 1 . 1 111 111 GLY CA C 13 44.923 0.092 . 1 . . 411 . . 111 GLY CA . 51517 1 746 . 1 . 1 111 111 GLY N N 15 111.500 . . 1 . . 694 . . 111 GLY N . 51517 1 747 . 1 . 1 112 112 ARG H H 1 8.147 0.001 . 1 . . 111 . . 112 ARG H . 51517 1 748 . 1 . 1 112 112 ARG HA H 1 4.234 0.007 . 1 . . 1009 . . 112 ARG HA . 51517 1 749 . 1 . 1 112 112 ARG HB2 H 1 1.755 0.005 . 2 . . 1010 . . 112 ARG HB2 . 51517 1 750 . 1 . 1 112 112 ARG HB3 H 1 1.655 . . 2 . . 1011 . . 112 ARG HB3 . 51517 1 751 . 1 . 1 112 112 ARG HG2 H 1 1.536 0.014 . 1 . . 1013 . . 112 ARG HG2 . 51517 1 752 . 1 . 1 112 112 ARG C C 13 175.603 . . 1 . . 734 . . 112 ARG C . 51517 1 753 . 1 . 1 112 112 ARG CA C 13 56.117 0.034 . 1 . . 607 . . 112 ARG CA . 51517 1 754 . 1 . 1 112 112 ARG CB C 13 30.613 0.057 . 1 . . 711 . . 112 ARG CB . 51517 1 755 . 1 . 1 112 112 ARG CG C 13 26.902 0.041 . 1 . . 1012 . . 112 ARG CG . 51517 1 756 . 1 . 1 112 112 ARG N N 15 122.172 0.0 . 1 . . 112 . . 112 ARG N . 51517 1 757 . 1 . 1 113 113 GLY H H 1 8.288 0.002 . 1 . . 548 . . 113 GLY H . 51517 1 758 . 1 . 1 113 113 GLY HA2 H 1 3.822 0.01 . 1 . . 1014 . . 113 GLY HA2 . 51517 1 759 . 1 . 1 113 113 GLY C C 13 172.502 0.022 . 1 . . 688 . . 113 GLY C . 51517 1 760 . 1 . 1 113 113 GLY CA C 13 44.978 0.029 . 1 . . 712 . . 113 GLY CA . 51517 1 761 . 1 . 1 113 113 GLY N N 15 111.377 0.0 . 1 . . 549 . . 113 GLY N . 51517 1 762 . 1 . 1 114 114 PHE H H 1 7.942 0.002 . 1 . . 552 . . 114 PHE H . 51517 1 763 . 1 . 1 114 114 PHE HA H 1 4.478 . . 1 . . 1015 . . 114 PHE HA . 51517 1 764 . 1 . 1 114 114 PHE HB2 H 1 2.906 . . 1 . . 1016 . . 114 PHE HB2 . 51517 1 765 . 1 . 1 114 114 PHE C C 13 174.759 . . 1 . . 592 . . 114 PHE C . 51517 1 766 . 1 . 1 114 114 PHE CA C 13 57.938 0.031 . 1 . . 593 . . 114 PHE CA . 51517 1 767 . 1 . 1 114 114 PHE CB C 13 38.748 0.074 . 1 . . 594 . . 114 PHE CB . 51517 1 768 . 1 . 1 114 114 PHE N N 15 121.579 . . 1 . . 553 . . 114 PHE N . 51517 1 769 . 1 . 1 115 115 SER H H 1 8.124 0.001 . 1 . . 151 . . 115 SER H . 51517 1 770 . 1 . 1 115 115 SER HA H 1 4.354 0.002 . 1 . . 1017 . . 115 SER HA . 51517 1 771 . 1 . 1 115 115 SER HB2 H 1 3.756 0.003 . 1 . . 1018 . . 115 SER HB2 . 51517 1 772 . 1 . 1 115 115 SER C C 13 173.098 0.035 . 1 . . 735 . . 115 SER C . 51517 1 773 . 1 . 1 115 115 SER CA C 13 57.975 0.062 . 1 . . 422 . . 115 SER CA . 51517 1 774 . 1 . 1 115 115 SER CB C 13 63.681 0.051 . 1 . . 713 . . 115 SER CB . 51517 1 775 . 1 . 1 115 115 SER N N 15 119.340 . . 1 . . 152 . . 115 SER N . 51517 1 776 . 1 . 1 116 116 ARG H H 1 8.268 0.004 . 1 . . 147 . . 116 ARG H . 51517 1 777 . 1 . 1 116 116 ARG HA H 1 4.258 0.012 . 1 . . 1019 . . 116 ARG HA . 51517 1 778 . 1 . 1 116 116 ARG HB2 H 1 1.803 . . 2 . . 1020 . . 116 ARG HB2 . 51517 1 779 . 1 . 1 116 116 ARG HB3 H 1 1.716 0.016 . 2 . . 1021 . . 116 ARG HB3 . 51517 1 780 . 1 . 1 116 116 ARG HG2 H 1 1.542 0.005 . 1 . . 1023 . . 116 ARG HG2 . 51517 1 781 . 1 . 1 116 116 ARG C C 13 175.542 0.036 . 1 . . 511 . . 116 ARG C . 51517 1 782 . 1 . 1 116 116 ARG CA C 13 56.091 0.022 . 1 . . 674 . . 116 ARG CA . 51517 1 783 . 1 . 1 116 116 ARG CB C 13 30.606 0.097 . 1 . . 673 . . 116 ARG CB . 51517 1 784 . 1 . 1 116 116 ARG CG C 13 27.077 0.02 . 1 . . 1022 . . 116 ARG CG . 51517 1 785 . 1 . 1 116 116 ARG N N 15 124.827 0.0 . 1 . . 148 . . 116 ARG N . 51517 1 786 . 1 . 1 117 117 GLY H H 1 8.280 0.004 . 1 . . 117 . . 117 GLY H . 51517 1 787 . 1 . 1 117 117 GLY HA2 H 1 3.875 0.005 . 1 . . 1024 . . 117 GLY HA2 . 51517 1 788 . 1 . 1 117 117 GLY C C 13 173.351 0.013 . 1 . . 512 . . 117 GLY C . 51517 1 789 . 1 . 1 117 117 GLY CA C 13 45.033 0.072 . 1 . . 714 . . 117 GLY CA . 51517 1 790 . 1 . 1 117 117 GLY N N 15 111.497 . . 1 . . 118 . . 117 GLY N . 51517 1 791 . 1 . 1 118 118 GLY H H 1 8.141 0.001 . 1 . . 546 . . 118 GLY H . 51517 1 792 . 1 . 1 118 118 GLY HA2 H 1 3.873 0.002 . 1 . . 1025 . . 118 GLY HA2 . 51517 1 793 . 1 . 1 118 118 GLY C C 13 173.572 0.003 . 1 . . 651 . . 118 GLY C . 51517 1 794 . 1 . 1 118 118 GLY CA C 13 45.205 0.099 . 1 . . 503 . . 118 GLY CA . 51517 1 795 . 1 . 1 118 118 GLY N N 15 110.418 0.0 . 1 . . 547 . . 118 GLY N . 51517 1 796 . 1 . 1 119 119 GLY H H 1 8.151 0.001 . 1 . . 33 . . 119 GLY H . 51517 1 797 . 1 . 1 119 119 GLY HA2 H 1 3.873 0.012 . 1 . . 1026 . . 119 GLY HA2 . 51517 1 798 . 1 . 1 119 119 GLY C C 13 172.750 0.024 . 1 . . 675 . . 119 GLY C . 51517 1 799 . 1 . 1 119 119 GLY CA C 13 44.994 0.059 . 1 . . 715 . . 119 GLY CA . 51517 1 800 . 1 . 1 119 119 GLY N N 15 110.451 0.0 . 1 . . 34 . . 119 GLY N . 51517 1 801 . 1 . 1 120 120 ASP H H 1 8.120 0.001 . 1 . . 641 . . 120 ASP H . 51517 1 802 . 1 . 1 120 120 ASP HA H 1 4.520 0.001 . 1 . . 1027 . . 120 ASP HA . 51517 1 803 . 1 . 1 120 120 ASP HB2 H 1 2.583 . . 1 . . 1028 . . 120 ASP HB2 . 51517 1 804 . 1 . 1 120 120 ASP C C 13 175.269 0.03 . 1 . . 625 . . 120 ASP C . 51517 1 805 . 1 . 1 120 120 ASP CA C 13 54.174 0.034 . 1 . . 370 . . 120 ASP CA . 51517 1 806 . 1 . 1 120 120 ASP CB C 13 41.076 0.062 . 1 . . 643 . . 120 ASP CB . 51517 1 807 . 1 . 1 120 120 ASP N N 15 122.022 0.0 . 1 . . 642 . . 120 ASP N . 51517 1 808 . 1 . 1 121 121 ARG H H 1 8.180 0.002 . 1 . . 17 . . 121 ARG H . 51517 1 809 . 1 . 1 121 121 ARG HA H 1 4.224 0.014 . 1 . . 1029 . . 121 ARG HA . 51517 1 810 . 1 . 1 121 121 ARG HB2 H 1 1.631 . . 2 . . 1030 . . 121 ARG HB2 . 51517 1 811 . 1 . 1 121 121 ARG HB3 H 1 1.805 . . 2 . . 1031 . . 121 ARG HB3 . 51517 1 812 . 1 . 1 121 121 ARG HG2 H 1 1.537 . . 1 . . 1032 . . 121 ARG HG2 . 51517 1 813 . 1 . 1 121 121 ARG C C 13 175.511 0.016 . 1 . . 516 . . 121 ARG C . 51517 1 814 . 1 . 1 121 121 ARG CA C 13 56.088 0.053 . 1 . . 650 . . 121 ARG CA . 51517 1 815 . 1 . 1 121 121 ARG CB C 13 30.297 0.073 . 1 . . 371 . . 121 ARG CB . 51517 1 816 . 1 . 1 121 121 ARG N N 15 122.753 0.0 . 1 . . 18 . . 121 ARG N . 51517 1 817 . 1 . 1 122 122 GLY H H 1 8.169 0.002 . 1 . . 257 . . 122 GLY H . 51517 1 818 . 1 . 1 122 122 GLY HA2 H 1 3.839 0.017 . 1 . . 1033 . . 122 GLY HA2 . 51517 1 819 . 1 . 1 122 122 GLY C C 13 172.707 0.005 . 1 . . 596 . . 122 GLY C . 51517 1 820 . 1 . 1 122 122 GLY CA C 13 44.989 0.071 . 1 . . 517 . . 122 GLY CA . 51517 1 821 . 1 . 1 122 122 GLY N N 15 110.524 0.0 . 1 . . 258 . . 122 GLY N . 51517 1 822 . 1 . 1 123 123 TYR H H 1 7.927 0.003 . 1 . . 556 . . 123 TYR H . 51517 1 823 . 1 . 1 123 123 TYR HA H 1 4.471 0.006 . 1 . . 1034 . . 123 TYR HA . 51517 1 824 . 1 . 1 123 123 TYR HB2 H 1 2.903 . . 1 . . 1035 . . 123 TYR HB2 . 51517 1 825 . 1 . 1 123 123 TYR C C 13 175.250 0.019 . 1 . . 505 . . 123 TYR C . 51517 1 826 . 1 . 1 123 123 TYR CA C 13 57.998 0.102 . 1 . . 597 . . 123 TYR CA . 51517 1 827 . 1 . 1 123 123 TYR CB C 13 38.673 0.032 . 1 . . 677 . . 123 TYR CB . 51517 1 828 . 1 . 1 123 123 TYR N N 15 121.780 0.063 . 1 . . 557 . . 123 TYR N . 51517 1 829 . 1 . 1 124 124 GLY H H 1 8.278 0.002 . 1 . . 199 . . 124 GLY H . 51517 1 830 . 1 . 1 124 124 GLY HA2 H 1 3.847 0.013 . 1 . . 1036 . . 124 GLY HA2 . 51517 1 831 . 1 . 1 124 124 GLY C C 13 173.360 0.03 . 1 . . 611 . . 124 GLY C . 51517 1 832 . 1 . 1 124 124 GLY CA C 13 45.090 0.111 . 1 . . 612 . . 124 GLY CA . 51517 1 833 . 1 . 1 124 124 GLY N N 15 112.798 0.0 . 1 . . 200 . . 124 GLY N . 51517 1 834 . 1 . 1 125 125 GLY H H 1 7.737 0.001 . 1 . . 550 . . 125 GLY H . 51517 1 835 . 1 . 1 125 125 GLY HA2 H 1 3.826 0.003 . 1 . . 1037 . . 125 GLY HA2 . 51517 1 836 . 1 . 1 125 125 GLY C C 13 172.607 0.033 . 1 . . 736 . . 125 GLY C . 51517 1 837 . 1 . 1 125 125 GLY CA C 13 45.006 0.079 . 1 . . 716 . . 125 GLY CA . 51517 1 838 . 1 . 1 125 125 GLY N N 15 109.869 0.0 . 1 . . 551 . . 125 GLY N . 51517 1 839 . 1 . 1 126 126 ASN H H 1 8.152 0.003 . 1 . . 101 . . 126 ASN H . 51517 1 840 . 1 . 1 126 126 ASN HA H 1 4.614 0.005 . 1 . . 1038 . . 126 ASN HA . 51517 1 841 . 1 . 1 126 126 ASN HB2 H 1 2.699 . . 1 . . 1039 . . 126 ASN HB2 . 51517 1 842 . 1 . 1 126 126 ASN C C 13 174.125 0.028 . 1 . . 410 . . 126 ASN C . 51517 1 843 . 1 . 1 126 126 ASN CA C 13 52.997 0.047 . 1 . . 412 . . 126 ASN CA . 51517 1 844 . 1 . 1 126 126 ASN CB C 13 38.733 0.078 . 1 . . 717 . . 126 ASN CB . 51517 1 845 . 1 . 1 126 126 ASN N N 15 120.152 0.0 . 1 . . 102 . . 126 ASN N . 51517 1 846 . 1 . 1 127 127 ARG H H 1 8.095 0.0 . 1 . . 570 . . 127 ARG H . 51517 1 847 . 1 . 1 127 127 ARG HA H 1 4.154 . . 1 . . 1040 . . 127 ARG HA . 51517 1 848 . 1 . 1 127 127 ARG HB2 H 1 1.586 0.017 . 2 . . 1041 . . 127 ARG HB2 . 51517 1 849 . 1 . 1 127 127 ARG HB3 H 1 1.559 . . 2 . . 1154 . . 127 ARG HB3 . 51517 1 850 . 1 . 1 127 127 ARG HG2 H 1 1.321 0.004 . 1 . . 1043 . . 127 ARG HG2 . 51517 1 851 . 1 . 1 127 127 ARG C C 13 174.751 0.02 . 1 . . 737 . . 127 ARG C . 51517 1 852 . 1 . 1 127 127 ARG CA C 13 56.219 0.027 . 1 . . 380 . . 127 ARG CA . 51517 1 853 . 1 . 1 127 127 ARG CB C 13 30.483 0.092 . 1 . . 672 . . 127 ARG CB . 51517 1 854 . 1 . 1 127 127 ARG CG C 13 26.828 0.056 . 1 . . 1042 . . 127 ARG CG . 51517 1 855 . 1 . 1 127 127 ARG N N 15 122.812 0.0 . 1 . . 571 . . 127 ARG N . 51517 1 856 . 1 . 1 128 128 PHE H H 1 8.065 0.002 . 1 . . 143 . . 128 PHE H . 51517 1 857 . 1 . 1 128 128 PHE C C 13 175.585 . . 1 . . 738 . . 128 PHE C . 51517 1 858 . 1 . 1 128 128 PHE N N 15 122.089 0.0 . 1 . . 144 . . 128 PHE N . 51517 1 859 . 1 . 1 129 129 GLU H H 1 8.000 0.005 . 1 . . 179 . . 129 GLU H . 51517 1 860 . 1 . 1 129 129 GLU HA H 1 4.207 . . 1 . . 1046 . . 129 GLU HA . 51517 1 861 . 1 . 1 129 129 GLU HB2 H 1 1.941 . . 1 . . 1047 . . 129 GLU HB2 . 51517 1 862 . 1 . 1 129 129 GLU C C 13 173.682 . . 1 . . 683 . . 129 GLU C . 51517 1 863 . 1 . 1 129 129 GLU CA C 13 56.257 0.029 . 1 . . 598 . . 129 GLU CA . 51517 1 864 . 1 . 1 129 129 GLU CB C 13 30.401 0.032 . 1 . . 600 . . 129 GLU CB . 51517 1 865 . 1 . 1 129 129 GLU N N 15 123.778 . . 1 . . 180 . . 129 GLU N . 51517 1 866 . 1 . 1 130 130 SER H H 1 8.148 0.002 . 1 . . 51 . . 130 SER H . 51517 1 867 . 1 . 1 130 130 SER HA H 1 4.352 0.018 . 1 . . 1044 . . 130 SER HA . 51517 1 868 . 1 . 1 130 130 SER HB2 H 1 3.810 0.008 . 1 . . 1045 . . 130 SER HB2 . 51517 1 869 . 1 . 1 130 130 SER C C 13 173.569 0.002 . 1 . . 330 . . 130 SER C . 51517 1 870 . 1 . 1 130 130 SER CA C 13 58.270 0.066 . 1 . . 599 . . 130 SER CA . 51517 1 871 . 1 . 1 130 130 SER CB C 13 63.596 0.048 . 1 . . 331 . . 130 SER CB . 51517 1 872 . 1 . 1 130 130 SER N N 15 118.733 0.0 . 1 . . 52 . . 130 SER N . 51517 1 873 . 1 . 1 131 131 ARG H H 1 8.257 0.004 . 1 . . 161 . . 131 ARG H . 51517 1 874 . 1 . 1 131 131 ARG HA H 1 4.311 0.002 . 1 . . 1050 . . 131 ARG HA . 51517 1 875 . 1 . 1 131 131 ARG HB2 H 1 1.676 . . 2 . . 1048 . . 131 ARG HB2 . 51517 1 876 . 1 . 1 131 131 ARG HB3 H 1 1.782 0.01 . 2 . . 1049 . . 131 ARG HB3 . 51517 1 877 . 1 . 1 131 131 ARG HG2 H 1 1.537 . . 1 . . 1052 . . 131 ARG HG2 . 51517 1 878 . 1 . 1 131 131 ARG C C 13 175.219 0.011 . 1 . . 452 . . 131 ARG C . 51517 1 879 . 1 . 1 131 131 ARG CA C 13 56.079 0.078 . 1 . . 718 . . 131 ARG CA . 51517 1 880 . 1 . 1 131 131 ARG CB C 13 30.546 0.054 . 1 . . 649 . . 131 ARG CB . 51517 1 881 . 1 . 1 131 131 ARG CG C 13 27.083 . . 1 . . 1051 . . 131 ARG CG . 51517 1 882 . 1 . 1 131 131 ARG N N 15 124.711 0.0 . 1 . . 162 . . 131 ARG N . 51517 1 883 . 1 . 1 132 132 SER H H 1 8.164 0.005 . 1 . . 191 . . 132 SER H . 51517 1 884 . 1 . 1 132 132 SER HA H 1 4.386 0.004 . 1 . . 1053 . . 132 SER HA . 51517 1 885 . 1 . 1 132 132 SER HB2 H 1 3.801 0.008 . 1 . . 1054 . . 132 SER HB2 . 51517 1 886 . 1 . 1 132 132 SER C C 13 173.809 0.02 . 1 . . 510 . . 132 SER C . 51517 1 887 . 1 . 1 132 132 SER CA C 13 58.361 0.085 . 1 . . 453 . . 132 SER CA . 51517 1 888 . 1 . 1 132 132 SER CB C 13 63.674 0.102 . 1 . . 454 . . 132 SER CB . 51517 1 889 . 1 . 1 132 132 SER N N 15 118.129 0.0 . 1 . . 192 . . 132 SER N . 51517 1 890 . 1 . 1 133 133 GLY H H 1 8.218 0.001 . 1 . . 65 . . 133 GLY H . 51517 1 891 . 1 . 1 133 133 GLY HA2 H 1 3.880 0.015 . 1 . . 1055 . . 133 GLY HA2 . 51517 1 892 . 1 . 1 133 133 GLY C C 13 173.251 0.014 . 1 . . 739 . . 133 GLY C . 51517 1 893 . 1 . 1 133 133 GLY CA C 13 45.140 0.09 . 1 . . 719 . . 133 GLY CA . 51517 1 894 . 1 . 1 133 133 GLY N N 15 112.363 0.0 . 1 . . 66 . . 133 GLY N . 51517 1 895 . 1 . 1 134 134 GLY H H 1 8.015 0.001 . 1 . . 181 . . 134 GLY H . 51517 1 896 . 1 . 1 134 134 GLY HA2 H 1 3.822 0.021 . 1 . . 1056 . . 134 GLY HA2 . 51517 1 897 . 1 . 1 134 134 GLY C C 13 172.705 0.036 . 1 . . 740 . . 134 GLY C . 51517 1 898 . 1 . 1 134 134 GLY CA C 13 44.904 0.051 . 1 . . 524 . . 134 GLY CA . 51517 1 899 . 1 . 1 134 134 GLY N N 15 110.038 . . 1 . . 182 . . 134 GLY N . 51517 1 900 . 1 . 1 135 135 TYR H H 1 8.000 0.003 . 1 . . 187 . . 135 TYR H . 51517 1 901 . 1 . 1 135 135 TYR HA H 1 4.471 0.006 . 1 . . 1057 . . 135 TYR HA . 51517 1 902 . 1 . 1 135 135 TYR HB2 H 1 2.890 . . 1 . . 1058 . . 135 TYR HB2 . 51517 1 903 . 1 . 1 135 135 TYR C C 13 175.356 0.019 . 1 . . 741 . . 135 TYR C . 51517 1 904 . 1 . 1 135 135 TYR CA C 13 58.009 0.052 . 1 . . 504 . . 135 TYR CA . 51517 1 905 . 1 . 1 135 135 TYR CB C 13 38.670 0.067 . 1 . . 720 . . 135 TYR CB . 51517 1 906 . 1 . 1 135 135 TYR N N 15 121.836 0.0 . 1 . . 188 . . 135 TYR N . 51517 1 907 . 1 . 1 136 136 GLY H H 1 8.299 0.003 . 1 . . 137 . . 136 GLY H . 51517 1 908 . 1 . 1 136 136 GLY HA2 H 1 3.827 0.021 . 1 . . 1059 . . 136 GLY HA2 . 51517 1 909 . 1 . 1 136 136 GLY C C 13 173.375 0.005 . 1 . . 518 . . 136 GLY C . 51517 1 910 . 1 . 1 136 136 GLY CA C 13 45.268 0.065 . 1 . . 721 . . 136 GLY CA . 51517 1 911 . 1 . 1 136 136 GLY N N 15 112.929 0.0 . 1 . . 138 . . 136 GLY N . 51517 1 912 . 1 . 1 137 137 GLY H H 1 7.746 0.002 . 1 . . 193 . . 137 GLY H . 51517 1 913 . 1 . 1 137 137 GLY HA2 H 1 3.818 0.014 . 1 . . 1060 . . 137 GLY HA2 . 51517 1 914 . 1 . 1 137 137 GLY C C 13 172.994 0.02 . 1 . . 483 . . 137 GLY C . 51517 1 915 . 1 . 1 137 137 GLY CA C 13 45.087 0.059 . 1 . . 481 . . 137 GLY CA . 51517 1 916 . 1 . 1 137 137 GLY N N 15 109.972 . . 1 . . 194 . . 137 GLY N . 51517 1 917 . 1 . 1 138 138 SER H H 1 8.053 0.003 . 1 . . 35 . . 138 SER H . 51517 1 918 . 1 . 1 138 138 SER HA H 1 4.356 0.012 . 1 . . 1061 . . 138 SER HA . 51517 1 919 . 1 . 1 138 138 SER HB2 H 1 3.792 0.022 . 1 . . 1062 . . 138 SER HB2 . 51517 1 920 . 1 . 1 138 138 SER C C 13 173.609 0.033 . 1 . . 428 . . 138 SER C . 51517 1 921 . 1 . 1 138 138 SER CA C 13 58.385 0.071 . 1 . . 426 . . 138 SER CA . 51517 1 922 . 1 . 1 138 138 SER CB C 13 63.652 0.073 . 1 . . 427 . . 138 SER CB . 51517 1 923 . 1 . 1 138 138 SER N N 15 117.202 0.0 . 1 . . 36 . . 138 SER N . 51517 1 924 . 1 . 1 139 139 ARG H H 1 8.225 0.004 . 1 . . 25 . . 139 ARG H . 51517 1 925 . 1 . 1 139 139 ARG HA H 1 4.222 0.006 . 1 . . 1063 . . 139 ARG HA . 51517 1 926 . 1 . 1 139 139 ARG HB2 H 1 1.649 . . 2 . . 1064 . . 139 ARG HB2 . 51517 1 927 . 1 . 1 139 139 ARG HB3 H 1 1.757 . . 2 . . 1067 . . 139 ARG HB3 . 51517 1 928 . 1 . 1 139 139 ARG HG2 H 1 1.499 0.016 . 1 . . 1066 . . 139 ARG HG2 . 51517 1 929 . 1 . 1 139 139 ARG C C 13 174.731 0.023 . 1 . . 589 . . 139 ARG C . 51517 1 930 . 1 . 1 139 139 ARG CA C 13 56.220 0.052 . 1 . . 336 . . 139 ARG CA . 51517 1 931 . 1 . 1 139 139 ARG CB C 13 30.460 0.082 . 1 . . 588 . . 139 ARG CB . 51517 1 932 . 1 . 1 139 139 ARG CG C 13 26.909 0.064 . 1 . . 1065 . . 139 ARG CG . 51517 1 933 . 1 . 1 139 139 ARG N N 15 124.137 0.0 . 1 . . 26 . . 139 ARG N . 51517 1 934 . 1 . 1 140 140 ASP H H 1 8.022 0.002 . 1 . . 558 . . 140 ASP H . 51517 1 935 . 1 . 1 140 140 ASP HA H 1 4.499 0.005 . 1 . . 1069 . . 140 ASP HA . 51517 1 936 . 1 . 1 140 140 ASP HB2 H 1 2.514 . . 1 . . 1068 . . 140 ASP HB2 . 51517 1 937 . 1 . 1 140 140 ASP C C 13 174.807 0.03 . 1 . . 378 . . 140 ASP C . 51517 1 938 . 1 . 1 140 140 ASP CA C 13 54.156 0.048 . 1 . . 678 . . 140 ASP CA . 51517 1 939 . 1 . 1 140 140 ASP CB C 13 40.934 0.03 . 1 . . 377 . . 140 ASP CB . 51517 1 940 . 1 . 1 140 140 ASP N N 15 122.141 0.0 . 1 . . 559 . . 140 ASP N . 51517 1 941 . 1 . 1 141 141 TYR H H 1 7.860 0.003 . 1 . . 67 . . 141 TYR H . 51517 1 942 . 1 . 1 141 141 TYR HA H 1 4.305 0.005 . 1 . . 1070 . . 141 TYR HA . 51517 1 943 . 1 . 1 141 141 TYR HB2 H 1 2.729 . . 2 . . 1071 . . 141 TYR HB2 . 51517 1 944 . 1 . 1 141 141 TYR HB3 H 1 2.811 0.018 . 2 . . 1072 . . 141 TYR HB3 . 51517 1 945 . 1 . 1 141 141 TYR C C 13 174.578 0.007 . 1 . . 384 . . 141 TYR C . 51517 1 946 . 1 . 1 141 141 TYR CA C 13 58.556 0.069 . 1 . . 381 . . 141 TYR CA . 51517 1 947 . 1 . 1 141 141 TYR CB C 13 38.617 0.08 . 1 . . 382 . . 141 TYR CB . 51517 1 948 . 1 . 1 141 141 TYR N N 15 122.490 0.0 . 1 . . 68 . . 141 TYR N . 51517 1 949 . 1 . 1 142 142 TYR H H 1 7.884 0.002 . 1 . . 241 . . 142 TYR H . 51517 1 950 . 1 . 1 142 142 TYR HA H 1 4.336 . . 1 . . 1073 . . 142 TYR HA . 51517 1 951 . 1 . 1 142 142 TYR HB2 H 1 2.995 0.004 . 2 . . 1074 . . 142 TYR HB2 . 51517 1 952 . 1 . 1 142 142 TYR HB3 H 1 2.824 0.02 . 2 . . 1075 . . 142 TYR HB3 . 51517 1 953 . 1 . 1 142 142 TYR C C 13 174.843 0.025 . 1 . . 383 . . 142 TYR C . 51517 1 954 . 1 . 1 142 142 TYR CA C 13 58.281 0.045 . 1 . . 623 . . 142 TYR CA . 51517 1 955 . 1 . 1 142 142 TYR CB C 13 38.542 0.094 . 1 . . 622 . . 142 TYR CB . 51517 1 956 . 1 . 1 142 142 TYR N N 15 121.927 0.0 . 1 . . 242 . . 142 TYR N . 51517 1 957 . 1 . 1 143 143 SER H H 1 7.918 0.002 . 1 . . 189 . . 143 SER H . 51517 1 958 . 1 . 1 143 143 SER HA H 1 4.350 0.006 . 1 . . 1076 . . 143 SER HA . 51517 1 959 . 1 . 1 143 143 SER HB2 H 1 3.804 0.008 . 1 . . 1077 . . 143 SER HB2 . 51517 1 960 . 1 . 1 143 143 SER C C 13 173.499 0.022 . 1 . . 679 . . 143 SER C . 51517 1 961 . 1 . 1 143 143 SER CA C 13 58.424 0.05 . 1 . . 437 . . 143 SER CA . 51517 1 962 . 1 . 1 143 143 SER CB C 13 63.571 0.079 . 1 . . 438 . . 143 SER CB . 51517 1 963 . 1 . 1 143 143 SER N N 15 118.386 0.0 . 1 . . 190 . . 143 SER N . 51517 1 964 . 1 . 1 144 144 SER H H 1 8.076 0.003 . 1 . . 77 . . 144 SER H . 51517 1 965 . 1 . 1 144 144 SER HA H 1 4.354 0.022 . 1 . . 1078 . . 144 SER HA . 51517 1 966 . 1 . 1 144 144 SER HB2 H 1 3.837 0.002 . 1 . . 1079 . . 144 SER HB2 . 51517 1 967 . 1 . 1 144 144 SER C C 13 173.565 0.019 . 1 . . 742 . . 144 SER C . 51517 1 968 . 1 . 1 144 144 SER CA C 13 58.603 0.072 . 1 . . 723 . . 144 SER CA . 51517 1 969 . 1 . 1 144 144 SER CB C 13 63.560 0.076 . 1 . . 722 . . 144 SER CB . 51517 1 970 . 1 . 1 144 144 SER N N 15 119.206 0.0 . 1 . . 78 . . 144 SER N . 51517 1 971 . 1 . 1 145 145 ARG H H 1 8.026 0.002 . 1 . . 135 . . 145 ARG H . 51517 1 972 . 1 . 1 145 145 ARG HA H 1 4.271 0.002 . 1 . . 1080 . . 145 ARG HA . 51517 1 973 . 1 . 1 145 145 ARG HB2 H 1 1.616 . . 2 . . 1081 . . 145 ARG HB2 . 51517 1 974 . 1 . 1 145 145 ARG HB3 H 1 1.735 . . 2 . . 1082 . . 145 ARG HB3 . 51517 1 975 . 1 . 1 145 145 ARG HG2 H 1 1.518 . . 1 . . 1084 . . 145 ARG HG2 . 51517 1 976 . 1 . 1 145 145 ARG C C 13 175.287 0.023 . 1 . . 462 . . 145 ARG C . 51517 1 977 . 1 . 1 145 145 ARG CA C 13 56.255 0.051 . 1 . . 461 . . 145 ARG CA . 51517 1 978 . 1 . 1 145 145 ARG CB C 13 30.469 0.088 . 1 . . 352 . . 145 ARG CB . 51517 1 979 . 1 . 1 145 145 ARG CG C 13 27.105 . . 1 . . 1083 . . 145 ARG CG . 51517 1 980 . 1 . 1 145 145 ARG N N 15 123.954 0.0 . 1 . . 136 . . 145 ARG N . 51517 1 981 . 1 . 1 146 146 SER H H 1 8.051 0.003 . 1 . . 227 . . 146 SER H . 51517 1 982 . 1 . 1 146 146 SER HA H 1 4.349 0.024 . 1 . . 1086 . . 146 SER HA . 51517 1 983 . 1 . 1 146 146 SER HB2 H 1 3.782 0.006 . 1 . . 1085 . . 146 SER HB2 . 51517 1 984 . 1 . 1 146 146 SER C C 13 173.550 0.002 . 1 . . 349 . . 146 SER C . 51517 1 985 . 1 . 1 146 146 SER CA C 13 58.291 0.026 . 1 . . 350 . . 146 SER CA . 51517 1 986 . 1 . 1 146 146 SER CB C 13 63.545 0.045 . 1 . . 351 . . 146 SER CB . 51517 1 987 . 1 . 1 146 146 SER N N 15 117.889 0.0 . 1 . . 228 . . 146 SER N . 51517 1 988 . 1 . 1 147 147 GLN H H 1 8.215 0.001 . 1 . . 153 . . 147 GLN H . 51517 1 989 . 1 . 1 147 147 GLN HA H 1 4.306 0.006 . 1 . . 1087 . . 147 GLN HA . 51517 1 990 . 1 . 1 147 147 GLN HB2 H 1 1.928 0.021 . 2 . . 1088 . . 147 GLN HB2 . 51517 1 991 . 1 . 1 147 147 GLN HB3 H 1 2.088 0.001 . 2 . . 1089 . . 147 GLN HB3 . 51517 1 992 . 1 . 1 147 147 GLN HG2 H 1 2.285 0.001 . 1 . . 1091 . . 147 GLN HG2 . 51517 1 993 . 1 . 1 147 147 GLN C C 13 174.906 0.015 . 1 . . 455 . . 147 GLN C . 51517 1 994 . 1 . 1 147 147 GLN CA C 13 56.004 0.043 . 1 . . 457 . . 147 GLN CA . 51517 1 995 . 1 . 1 147 147 GLN CB C 13 29.190 0.079 . 1 . . 357 . . 147 GLN CB . 51517 1 996 . 1 . 1 147 147 GLN CG C 13 33.951 0.073 . 1 . . 1090 . . 147 GLN CG . 51517 1 997 . 1 . 1 147 147 GLN N N 15 123.731 0.0 . 1 . . 154 . . 147 GLN N . 51517 1 998 . 1 . 1 148 148 SER H H 1 8.148 0.002 . 1 . . 207 . . 148 SER H . 51517 1 999 . 1 . 1 148 148 SER HA H 1 4.376 0.013 . 1 . . 1093 . . 148 SER HA . 51517 1 1000 . 1 . 1 148 148 SER HB2 H 1 3.798 0.002 . 1 . . 1092 . . 148 SER HB2 . 51517 1 1001 . 1 . 1 148 148 SER C C 13 173.817 0.025 . 1 . . 640 . . 148 SER C . 51517 1 1002 . 1 . 1 148 148 SER CA C 13 58.379 0.098 . 1 . . 456 . . 148 SER CA . 51517 1 1003 . 1 . 1 148 148 SER CB C 13 63.699 0.039 . 1 . . 458 . . 148 SER CB . 51517 1 1004 . 1 . 1 148 148 SER N N 15 117.987 0.0 . 1 . . 208 . . 148 SER N . 51517 1 1005 . 1 . 1 149 149 GLY H H 1 8.214 0.002 . 1 . . 632 . . 149 GLY H . 51517 1 1006 . 1 . 1 149 149 GLY HA2 H 1 3.904 0.003 . 1 . . 1094 . . 149 GLY HA2 . 51517 1 1007 . 1 . 1 149 149 GLY C C 13 173.268 0.005 . 1 . . 743 . . 149 GLY C . 51517 1 1008 . 1 . 1 149 149 GLY CA C 13 45.240 0.011 . 1 . . 525 . . 149 GLY CA . 51517 1 1009 . 1 . 1 149 149 GLY N N 15 112.363 0.0 . 1 . . 633 . . 149 GLY N . 51517 1 1010 . 1 . 1 150 150 GLY H H 1 8.040 0.002 . 1 . . 69 . . 150 GLY H . 51517 1 1011 . 1 . 1 150 150 GLY HA2 H 1 3.823 0.013 . 1 . . 1095 . . 150 GLY HA2 . 51517 1 1012 . 1 . 1 150 150 GLY C C 13 172.658 0.037 . 1 . . 744 . . 150 GLY C . 51517 1 1013 . 1 . 1 150 150 GLY CA C 13 45.029 0.06 . 1 . . 521 . . 150 GLY CA . 51517 1 1014 . 1 . 1 150 150 GLY N N 15 110.178 0.0 . 1 . . 70 . . 150 GLY N . 51517 1 1015 . 1 . 1 151 151 TYR H H 1 7.944 0.004 . 1 . . 554 . . 151 TYR H . 51517 1 1016 . 1 . 1 151 151 TYR HA H 1 4.491 0.001 . 1 . . 1096 . . 151 TYR HA . 51517 1 1017 . 1 . 1 151 151 TYR HB2 H 1 2.906 0.007 . 1 . . 1097 . . 151 TYR HB2 . 51517 1 1018 . 1 . 1 151 151 TYR C C 13 174.780 0.029 . 1 . . 439 . . 151 TYR C . 51517 1 1019 . 1 . 1 151 151 TYR CA C 13 57.996 0.061 . 1 . . 595 . . 151 TYR CA . 51517 1 1020 . 1 . 1 151 151 TYR CB C 13 38.757 0.067 . 1 . . 431 . . 151 TYR CB . 51517 1 1021 . 1 . 1 151 151 TYR N N 15 121.767 0.0 . 1 . . 555 . . 151 TYR N . 51517 1 1022 . 1 . 1 152 152 SER H H 1 8.025 0.003 . 1 . . 129 . . 152 SER H . 51517 1 1023 . 1 . 1 152 152 SER HA H 1 4.393 0.006 . 1 . . 1099 . . 152 SER HA . 51517 1 1024 . 1 . 1 152 152 SER HB2 H 1 3.741 0.004 . 1 . . 1098 . . 152 SER HB2 . 51517 1 1025 . 1 . 1 152 152 SER C C 13 172.687 0.031 . 1 . . 429 . . 152 SER C . 51517 1 1026 . 1 . 1 152 152 SER CA C 13 57.996 0.071 . 1 . . 430 . . 152 SER CA . 51517 1 1027 . 1 . 1 152 152 SER CB C 13 63.780 0.079 . 1 . . 680 . . 152 SER CB . 51517 1 1028 . 1 . 1 152 152 SER N N 15 118.971 0.0 . 1 . . 130 . . 152 SER N . 51517 1 1029 . 1 . 1 153 153 ASP H H 1 8.128 0.002 . 1 . . 53 . . 153 ASP H . 51517 1 1030 . 1 . 1 153 153 ASP HA H 1 4.522 0.004 . 1 . . 1101 . . 153 ASP HA . 51517 1 1031 . 1 . 1 153 153 ASP HB2 H 1 2.650 . . 1 . . 1100 . . 153 ASP HB2 . 51517 1 1032 . 1 . 1 153 153 ASP C C 13 175.174 0.004 . 1 . . 626 . . 153 ASP C . 51517 1 1033 . 1 . 1 153 153 ASP CA C 13 54.182 0.092 . 1 . . 373 . . 153 ASP CA . 51517 1 1034 . 1 . 1 153 153 ASP CB C 13 40.821 0.07 . 1 . . 374 . . 153 ASP CB . 51517 1 1035 . 1 . 1 153 153 ASP N N 15 124.063 0.0 . 1 . . 54 . . 153 ASP N . 51517 1 1036 . 1 . 1 154 154 ARG H H 1 8.105 0.001 . 1 . . 27 . . 154 ARG H . 51517 1 1037 . 1 . 1 154 154 ARG HA H 1 4.247 0.015 . 1 . . 1107 . . 154 ARG HA . 51517 1 1038 . 1 . 1 154 154 ARG HB2 H 1 1.543 . . 2 . . 1102 . . 154 ARG HB2 . 51517 1 1039 . 1 . 1 154 154 ARG HB3 H 1 1.712 0.001 . 2 . . 1103 . . 154 ARG HB3 . 51517 1 1040 . 1 . 1 154 154 ARG HG2 H 1 1.525 . . 1 . . 1105 . . 154 ARG HG2 . 51517 1 1041 . 1 . 1 154 154 ARG C C 13 175.450 0.03 . 1 . . 627 . . 154 ARG C . 51517 1 1042 . 1 . 1 154 154 ARG CA C 13 56.165 0.06 . 1 . . 372 . . 154 ARG CA . 51517 1 1043 . 1 . 1 154 154 ARG CB C 13 30.380 0.076 . 1 . . 724 . . 154 ARG CB . 51517 1 1044 . 1 . 1 154 154 ARG CG C 13 26.805 . . 1 . . 1104 . . 154 ARG CG . 51517 1 1045 . 1 . 1 154 154 ARG N N 15 122.848 0.0 . 1 . . 28 . . 154 ARG N . 51517 1 1046 . 1 . 1 155 155 SER H H 1 8.195 0.002 . 1 . . 175 . . 155 SER H . 51517 1 1047 . 1 . 1 155 155 SER HA H 1 4.360 0.022 . 1 . . 1106 . . 155 SER HA . 51517 1 1048 . 1 . 1 155 155 SER HB2 H 1 3.817 0.007 . 1 . . 1108 . . 155 SER HB2 . 51517 1 1049 . 1 . 1 155 155 SER C C 13 173.645 0.018 . 1 . . 745 . . 155 SER C . 51517 1 1050 . 1 . 1 155 155 SER CA C 13 58.473 0.069 . 1 . . 725 . . 155 SER CA . 51517 1 1051 . 1 . 1 155 155 SER CB C 13 63.594 0.07 . 1 . . 451 . . 155 SER CB . 51517 1 1052 . 1 . 1 155 155 SER N N 15 118.156 0.0 . 1 . . 176 . . 155 SER N . 51517 1 1053 . 1 . 1 156 156 SER H H 1 8.145 0.002 . 1 . . 13 . . 156 SER H . 51517 1 1054 . 1 . 1 156 156 SER HA H 1 4.336 0.021 . 1 . . 1109 . . 156 SER HA . 51517 1 1055 . 1 . 1 156 156 SER HB2 H 1 3.761 0.025 . 1 . . 1110 . . 156 SER HB2 . 51517 1 1056 . 1 . 1 156 156 SER C C 13 173.862 0.004 . 1 . . 638 . . 156 SER C . 51517 1 1057 . 1 . 1 156 156 SER CA C 13 58.306 0.025 . 1 . . 726 . . 156 SER CA . 51517 1 1058 . 1 . 1 156 156 SER CB C 13 63.584 0.024 . 1 . . 639 . . 156 SER CB . 51517 1 1059 . 1 . 1 156 156 SER N N 15 119.232 0.0 . 1 . . 14 . . 156 SER N . 51517 1 1060 . 1 . 1 157 157 GLY H H 1 8.217 0.001 . 1 . . 634 . . 157 GLY H . 51517 1 1061 . 1 . 1 157 157 GLY HA2 H 1 3.889 0.021 . 1 . . 1111 . . 157 GLY HA2 . 51517 1 1062 . 1 . 1 157 157 GLY C C 13 173.450 0.04 . 1 . . 519 . . 157 GLY C . 51517 1 1063 . 1 . 1 157 157 GLY CA C 13 45.163 0.08 . 1 . . 520 . . 157 GLY CA . 51517 1 1064 . 1 . 1 157 157 GLY N N 15 112.169 0.0 . 1 . . 635 . . 157 GLY N . 51517 1 1065 . 1 . 1 158 158 GLY H H 1 8.057 0.001 . 1 . . 157 . . 158 GLY H . 51517 1 1066 . 1 . 1 158 158 GLY HA2 H 1 3.912 0.006 . 1 . . 1112 . . 158 GLY HA2 . 51517 1 1067 . 1 . 1 158 158 GLY C C 13 172.880 0.027 . 1 . . 482 . . 158 GLY C . 51517 1 1068 . 1 . 1 158 158 GLY CA C 13 44.998 0.059 . 1 . . 479 . . 158 GLY CA . 51517 1 1069 . 1 . 1 158 158 GLY N N 15 110.255 0.0 . 1 . . 158 . . 158 GLY N . 51517 1 1070 . 1 . 1 159 159 SER H H 1 8.038 0.003 . 1 . . 23 . . 159 SER H . 51517 1 1071 . 1 . 1 159 159 SER HA H 1 4.369 0.004 . 1 . . 1113 . . 159 SER HA . 51517 1 1072 . 1 . 1 159 159 SER HB2 H 1 3.727 0.004 . 1 . . 1114 . . 159 SER HB2 . 51517 1 1073 . 1 . 1 159 159 SER C C 13 173.087 0.009 . 1 . . 746 . . 159 SER C . 51517 1 1074 . 1 . 1 159 159 SER CA C 13 58.011 0.048 . 1 . . 681 . . 159 SER CA . 51517 1 1075 . 1 . 1 159 159 SER CB C 13 63.679 0.056 . 1 . . 480 . . 159 SER CB . 51517 1 1076 . 1 . 1 159 159 SER N N 15 117.259 0.0 . 1 . . 24 . . 159 SER N . 51517 1 1077 . 1 . 1 160 160 TYR H H 1 8.077 0.004 . 1 . . 7 . . 160 TYR H . 51517 1 1078 . 1 . 1 160 160 TYR HA H 1 4.427 0.024 . 1 . . 1115 . . 160 TYR HA . 51517 1 1079 . 1 . 1 160 160 TYR HB2 H 1 2.915 0.004 . 1 . . 1116 . . 160 TYR HB2 . 51517 1 1080 . 1 . 1 160 160 TYR C C 13 174.451 0.043 . 1 . . 747 . . 160 TYR C . 51517 1 1081 . 1 . 1 160 160 TYR CA C 13 58.107 0.039 . 1 . . 343 . . 160 TYR CA . 51517 1 1082 . 1 . 1 160 160 TYR CB C 13 38.468 0.07 . 1 . . 727 . . 160 TYR CB . 51517 1 1083 . 1 . 1 160 160 TYR N N 15 123.998 0.0 . 1 . . 8 . . 160 TYR N . 51517 1 1084 . 1 . 1 161 161 ARG H H 1 7.893 0.003 . 1 . . 87 . . 161 ARG H . 51517 1 1085 . 1 . 1 161 161 ARG HA H 1 4.166 0.001 . 1 . . 1117 . . 161 ARG HA . 51517 1 1086 . 1 . 1 161 161 ARG HB2 H 1 1.542 0.004 . 2 . . 1118 . . 161 ARG HB2 . 51517 1 1087 . 1 . 1 161 161 ARG HB3 H 1 1.670 0.023 . 2 . . 1119 . . 161 ARG HB3 . 51517 1 1088 . 1 . 1 161 161 ARG HG2 H 1 1.413 0.001 . 1 . . 1121 . . 161 ARG HG2 . 51517 1 1089 . 1 . 1 161 161 ARG C C 13 174.395 0.012 . 1 . . 337 . . 161 ARG C . 51517 1 1090 . 1 . 1 161 161 ARG CA C 13 55.898 0.051 . 1 . . 375 . . 161 ARG CA . 51517 1 1091 . 1 . 1 161 161 ARG CB C 13 30.986 0.098 . 1 . . 376 . . 161 ARG CB . 51517 1 1092 . 1 . 1 161 161 ARG CG C 13 26.804 0.06 . 1 . . 1120 . . 161 ARG CG . 51517 1 1093 . 1 . 1 161 161 ARG N N 15 124.180 0.0 . 1 . . 88 . . 161 ARG N . 51517 1 1094 . 1 . 1 162 162 ASP H H 1 8.053 0.002 . 1 . . 37 . . 162 ASP H . 51517 1 1095 . 1 . 1 162 162 ASP HA H 1 4.495 0.001 . 1 . . 1122 . . 162 ASP HA . 51517 1 1096 . 1 . 1 162 162 ASP HB2 H 1 2.603 0.005 . 2 . . 1123 . . 162 ASP HB2 . 51517 1 1097 . 1 . 1 162 162 ASP HB3 H 1 2.405 . . 2 . . 1126 . . 162 ASP HB3 . 51517 1 1098 . 1 . 1 162 162 ASP C C 13 174.944 0.037 . 1 . . 488 . . 162 ASP C . 51517 1 1099 . 1 . 1 162 162 ASP CA C 13 54.338 0.041 . 1 . . 487 . . 162 ASP CA . 51517 1 1100 . 1 . 1 162 162 ASP CB C 13 41.064 0.077 . 1 . . 606 . . 162 ASP CB . 51517 1 1101 . 1 . 1 162 162 ASP N N 15 122.718 0.0 . 1 . . 38 . . 162 ASP N . 51517 1 1102 . 1 . 1 163 163 SER H H 1 7.952 0.002 . 1 . . 49 . . 163 SER H . 51517 1 1103 . 1 . 1 163 163 SER HA H 1 4.303 0.004 . 1 . . 1124 . . 163 SER HA . 51517 1 1104 . 1 . 1 163 163 SER HB2 H 1 3.739 0.008 . 1 . . 1125 . . 163 SER HB2 . 51517 1 1105 . 1 . 1 163 163 SER C C 13 173.177 0.001 . 1 . . 423 . . 163 SER C . 51517 1 1106 . 1 . 1 163 163 SER CA C 13 58.363 0.103 . 1 . . 342 . . 163 SER CA . 51517 1 1107 . 1 . 1 163 163 SER CB C 13 63.560 0.073 . 1 . . 344 . . 163 SER CB . 51517 1 1108 . 1 . 1 163 163 SER N N 15 117.047 0.0 . 1 . . 50 . . 163 SER N . 51517 1 1109 . 1 . 1 164 164 TYR H H 1 8.062 0.002 . 1 . . 165 . . 164 TYR H . 51517 1 1110 . 1 . 1 164 164 TYR HA H 1 4.353 0.024 . 1 . . 1127 . . 164 TYR HA . 51517 1 1111 . 1 . 1 164 164 TYR HB2 H 1 2.888 . . 1 . . 1128 . . 164 TYR HB2 . 51517 1 1112 . 1 . 1 164 164 TYR C C 13 174.419 0.005 . 1 . . 338 . . 164 TYR C . 51517 1 1113 . 1 . 1 164 164 TYR CA C 13 58.258 0.053 . 1 . . 365 . . 164 TYR CA . 51517 1 1114 . 1 . 1 164 164 TYR CB C 13 38.474 0.09 . 1 . . 682 . . 164 TYR CB . 51517 1 1115 . 1 . 1 164 164 TYR N N 15 123.771 0.0 . 1 . . 166 . . 164 TYR N . 51517 1 1116 . 1 . 1 165 165 ASP H H 1 8.021 0.002 . 1 . . 1 . . 165 ASP H . 51517 1 1117 . 1 . 1 165 165 ASP HA H 1 4.498 0.005 . 1 . . 1130 . . 165 ASP HA . 51517 1 1118 . 1 . 1 165 165 ASP HB2 H 1 2.554 0.014 . 1 . . 1129 . . 165 ASP HB2 . 51517 1 1119 . 1 . 1 165 165 ASP C C 13 175.146 0.006 . 1 . . 364 . . 165 ASP C . 51517 1 1120 . 1 . 1 165 165 ASP CA C 13 54.147 0.114 . 1 . . 459 . . 165 ASP CA . 51517 1 1121 . 1 . 1 165 165 ASP CB C 13 40.973 0.031 . 1 . . 460 . . 165 ASP CB . 51517 1 1122 . 1 . 1 165 165 ASP N N 15 122.932 0.0 . 1 . . 2 . . 165 ASP N . 51517 1 1123 . 1 . 1 166 166 SER H H 1 7.966 0.002 . 1 . . 221 . . 166 SER H . 51517 1 1124 . 1 . 1 166 166 SER HA H 1 4.233 0.002 . 1 . . 1131 . . 166 SER HA . 51517 1 1125 . 1 . 1 166 166 SER HB2 H 1 3.708 0.005 . 1 . . 1132 . . 166 SER HB2 . 51517 1 1126 . 1 . 1 166 166 SER C C 13 173.439 0.012 . 1 . . 748 . . 166 SER C . 51517 1 1127 . 1 . 1 166 166 SER CA C 13 58.863 0.02 . 1 . . 581 . . 166 SER CA . 51517 1 1128 . 1 . 1 166 166 SER CB C 13 63.362 0.076 . 1 . . 582 . . 166 SER CB . 51517 1 1129 . 1 . 1 166 166 SER N N 15 118.040 0.0 . 1 . . 222 . . 166 SER N . 51517 1 1130 . 1 . 1 167 167 TYR H H 1 7.964 0.005 . 1 . . 630 . . 167 TYR H . 51517 1 1131 . 1 . 1 167 167 TYR HA H 1 4.394 0.009 . 1 . . 1133 . . 167 TYR HA . 51517 1 1132 . 1 . 1 167 167 TYR HB2 H 1 2.892 . . 1 . . 1134 . . 167 TYR HB2 . 51517 1 1133 . 1 . 1 167 167 TYR C C 13 174.731 0.017 . 1 . . 324 . . 167 TYR C . 51517 1 1134 . 1 . 1 167 167 TYR CA C 13 58.330 0.042 . 1 . . 322 . . 167 TYR CA . 51517 1 1135 . 1 . 1 167 167 TYR CB C 13 38.239 0.077 . 1 . . 323 . . 167 TYR CB . 51517 1 1136 . 1 . 1 167 167 TYR N N 15 123.319 0.0 . 1 . . 631 . . 167 TYR N . 51517 1 1137 . 1 . 1 168 168 ALA H H 1 7.827 0.002 . 1 . . 255 . . 168 ALA H . 51517 1 1138 . 1 . 1 168 168 ALA HA H 1 4.195 0.005 . 1 . . 1135 . . 168 ALA HA . 51517 1 1139 . 1 . 1 168 168 ALA HB1 H 1 1.266 0.004 . 1 . . 1136 . . 168 ALA HB1 . 51517 1 1140 . 1 . 1 168 168 ALA HB2 H 1 1.266 0.004 . 1 . . 1136 . . 168 ALA HB2 . 51517 1 1141 . 1 . 1 168 168 ALA HB3 H 1 1.266 0.004 . 1 . . 1136 . . 168 ALA HB3 . 51517 1 1142 . 1 . 1 168 168 ALA C C 13 176.759 0.012 . 1 . . 502 . . 168 ALA C . 51517 1 1143 . 1 . 1 168 168 ALA CA C 13 52.743 0.055 . 1 . . 496 . . 168 ALA CA . 51517 1 1144 . 1 . 1 168 168 ALA CB C 13 19.049 0.076 . 1 . . 499 . . 168 ALA CB . 51517 1 1145 . 1 . 1 168 168 ALA N N 15 125.579 . . 1 . . 256 . . 168 ALA N . 51517 1 1146 . 1 . 1 169 169 THR H H 1 7.786 0.003 . 1 . . 123 . . 169 THR H . 51517 1 1147 . 1 . 1 169 169 THR HA H 1 4.188 0.01 . 1 . . 1137 . . 169 THR HA . 51517 1 1148 . 1 . 1 169 169 THR HB H 1 4.125 . . 1 . . 1138 . . 169 THR HB . 51517 1 1149 . 1 . 1 169 169 THR HG21 H 1 1.104 . . 1 . . 1140 . . 169 THR HG1 . 51517 1 1150 . 1 . 1 169 169 THR HG22 H 1 1.104 . . 1 . . 1140 . . 169 THR HG1 . 51517 1 1151 . 1 . 1 169 169 THR HG23 H 1 1.104 . . 1 . . 1140 . . 169 THR HG1 . 51517 1 1152 . 1 . 1 169 169 THR C C 13 173.525 0.015 . 1 . . 591 . . 169 THR C . 51517 1 1153 . 1 . 1 169 169 THR CA C 13 61.983 0.074 . 1 . . 497 . . 169 THR CA . 51517 1 1154 . 1 . 1 169 169 THR CB C 13 69.651 0.086 . 1 . . 498 . . 169 THR CB . 51517 1 1155 . 1 . 1 169 169 THR CG2 C 13 21.499 . . 1 . . 1139 . . 169 THR CG2 . 51517 1 1156 . 1 . 1 169 169 THR N N 15 113.626 0.0 . 1 . . 124 . . 169 THR N . 51517 1 1157 . 1 . 1 170 170 HIS H H 1 8.250 0.003 . 1 . . 572 . . 170 HIS H . 51517 1 1158 . 1 . 1 170 170 HIS HA H 1 4.577 0.01 . 1 . . 1142 . . 170 HIS HA . 51517 1 1159 . 1 . 1 170 170 HIS HB2 H 1 3.101 . . 1 . . 1141 . . 170 HIS HB2 . 51517 1 1160 . 1 . 1 170 170 HIS C C 13 173.228 0.043 . 1 . . 396 . . 170 HIS C . 51517 1 1161 . 1 . 1 170 170 HIS CA C 13 55.626 0.113 . 1 . . 590 . . 170 HIS CA . 51517 1 1162 . 1 . 1 170 170 HIS CB C 13 28.525 0.082 . 1 . . 648 . . 170 HIS CB . 51517 1 1163 . 1 . 1 170 170 HIS N N 15 121.811 . . 1 . . 573 . . 170 HIS N . 51517 1 1164 . 1 . 1 171 171 ASN H H 1 8.256 0.002 . 1 . . 666 . . 171 ASN H . 51517 1 1165 . 1 . 1 171 171 ASN HA H 1 4.570 0.001 . 1 . . 1143 . . 171 ASN HA . 51517 1 1166 . 1 . 1 171 171 ASN HB2 H 1 2.690 0.006 . 1 . . 1144 . . 171 ASN HB2 . 51517 1 1167 . 1 . 1 171 171 ASN C C 13 174.211 0.04 . 1 . . 363 . . 171 ASN C . 51517 1 1168 . 1 . 1 171 171 ASN CA C 13 53.535 0.084 . 1 . . 668 . . 171 ASN CA . 51517 1 1169 . 1 . 1 171 171 ASN CB C 13 38.703 0.046 . 1 . . 669 . . 171 ASN CB . 51517 1 1170 . 1 . 1 171 171 ASN N N 15 121.248 0.004 . 1 . . 667 . . 171 ASN N . 51517 1 1171 . 1 . 1 172 172 GLU H H 1 8.381 0.002 . 1 . . 253 . . 172 GLU H . 51517 1 1172 . 1 . 1 172 172 GLU HA H 1 4.154 . . 1 . . 1145 . . 172 GLU HA . 51517 1 1173 . 1 . 1 172 172 GLU HB2 H 1 1.913 . . 1 . . 1146 . . 172 GLU HB2 . 51517 1 1174 . 1 . 1 172 172 GLU HG2 H 1 2.233 . . 1 . . 1148 . . 172 GLU HG2 . 51517 1 1175 . 1 . 1 172 172 GLU C C 13 175.583 . . 1 . . 584 . . 172 GLU C . 51517 1 1176 . 1 . 1 172 172 GLU CA C 13 57.168 0.065 . 1 . . 656 . . 172 GLU CA . 51517 1 1177 . 1 . 1 172 172 GLU CB C 13 29.633 0.09 . 1 . . 583 . . 172 GLU CB . 51517 1 1178 . 1 . 1 172 172 GLU CG C 13 36.007 . . 1 . . 1147 . . 172 GLU CG . 51517 1 1179 . 1 . 1 172 172 GLU N N 15 123.108 . . 1 . . 254 . . 172 GLU N . 51517 1 stop_ save_