data_25476 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25476 _Entry.Title ; Solution NMR structure of Salmonella typhimurium transcriptional regulator protein Crl ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-07 _Entry.Accession_date 2015-02-07 _Entry.Last_release_date 2015-12-21 _Entry.Original_release_date 2015-12-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Paola Cavaliere . . . 25476 2 Fabienne Levi-Acobas . . . 25476 3 Veronique Monteil . . . 25476 4 Jacques Bellalou . . . 25476 5 Claudine Mayer . . . 25476 6 Francoise Norel . . . 25476 7 Christina Sizun . . . 25476 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25476 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . CNRS . 25476 2 . 'Institut Pasteur' . 25476 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Crl . 25476 'Salmonella enterica' . 25476 curli . 25476 'serovar typhimurium' typhimurium 25476 'sigma factor activator' 'sigma factor binding protein' 25476 'sigma factor binding protein' 'sigmaS chaperone' 25476 sigmaS sigmaS 25476 'stationary phase' 'sigma factor activation' 25476 'stress response' 'RNA polymerase' 25476 'transcriptional regulator' . 25476 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25476 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 570 25476 '15N chemical shifts' 131 25476 '1H chemical shifts' 925 25476 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 . . 2015-12-21 . original BMRB . 25476 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI 99287 'taxonomic identifier' 25476 PDB 2MZ8 'BMRB Entry Tracking System' 25476 SP Q7CR52 'uniprot description' 25476 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25476 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26338235 _Citation.Full_citation . _Citation.Title ; Binding interface between the Salmonella sigma (S)/RpoS subunit of RNA polymerase and Crl: hints from bacterial species lacking crl ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13564 _Citation.Page_last 13564 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Paola Cavaliere . . . 25476 1 2 Christina Sizun . . . 25476 1 3 Fabienne Levi-Acobas . . . 25476 1 4 Mireille Nowakowski . . . 25476 1 5 Veronique Monteil . . . 25476 1 6 Francois Bontems . . . 25476 1 7 Jacques Bellalou . . . 25476 1 8 Claudine Mayer . . . 25476 1 9 Francoise Norel . . . 25476 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25476 _Assembly.ID 1 _Assembly.Name His_ST-Crl _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 18144.396 _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 'Salmonella typhimurium Crl' 1 $His_ST-Crl A . yes native yes no . . . 25476 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_His_ST-Crl _Entity.Sf_category entity _Entity.Sf_framecode His_ST-Crl _Entity.Entry_ID 25476 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name His_ST-Crl _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHSSGTGSGENLYFQG HMTLPSGHPKSRLIKKFTAL GPYIREGQCEDNRFFFDCLA VCVNVKPAPEKREFWGWWME LEAQEKRFTYRYQFGLFDKE GNWTVVPINETEVVERLEYT LREFHEKLRDLLISMELALE PSDDFNDEPVKLSA ; _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 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18144.396 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UniProt Q7CR52 . Q7CR52 . . . . . . . . . . . . . . 25476 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 -20 HIS . 25476 1 2 -19 HIS . 25476 1 3 -18 HIS . 25476 1 4 -17 HIS . 25476 1 5 -16 HIS . 25476 1 6 -15 HIS . 25476 1 7 -14 SER . 25476 1 8 -13 SER . 25476 1 9 -12 GLY . 25476 1 10 -11 THR . 25476 1 11 -10 GLY . 25476 1 12 -9 SER . 25476 1 13 -8 GLY . 25476 1 14 -7 GLU . 25476 1 15 -6 ASN . 25476 1 16 -5 LEU . 25476 1 17 -4 TYR . 25476 1 18 -3 PHE . 25476 1 19 -2 GLN . 25476 1 20 -1 GLY . 25476 1 21 0 HIS . 25476 1 22 1 MET . 25476 1 23 2 THR . 25476 1 24 3 LEU . 25476 1 25 4 PRO . 25476 1 26 5 SER . 25476 1 27 6 GLY . 25476 1 28 7 HIS . 25476 1 29 8 PRO . 25476 1 30 9 LYS . 25476 1 31 10 SER . 25476 1 32 11 ARG . 25476 1 33 12 LEU . 25476 1 34 13 ILE . 25476 1 35 14 LYS . 25476 1 36 15 LYS . 25476 1 37 16 PHE . 25476 1 38 17 THR . 25476 1 39 18 ALA . 25476 1 40 19 LEU . 25476 1 41 20 GLY . 25476 1 42 21 PRO . 25476 1 43 22 TYR . 25476 1 44 23 ILE . 25476 1 45 24 ARG . 25476 1 46 25 GLU . 25476 1 47 26 GLY . 25476 1 48 27 GLN . 25476 1 49 28 CYS . 25476 1 50 29 GLU . 25476 1 51 30 ASP . 25476 1 52 31 ASN . 25476 1 53 32 ARG . 25476 1 54 33 PHE . 25476 1 55 34 PHE . 25476 1 56 35 PHE . 25476 1 57 36 ASP . 25476 1 58 37 CYS . 25476 1 59 38 LEU . 25476 1 60 39 ALA . 25476 1 61 40 VAL . 25476 1 62 41 CYS . 25476 1 63 42 VAL . 25476 1 64 43 ASN . 25476 1 65 44 VAL . 25476 1 66 45 LYS . 25476 1 67 46 PRO . 25476 1 68 47 ALA . 25476 1 69 48 PRO . 25476 1 70 49 GLU . 25476 1 71 50 LYS . 25476 1 72 51 ARG . 25476 1 73 52 GLU . 25476 1 74 53 PHE . 25476 1 75 54 TRP . 25476 1 76 55 GLY . 25476 1 77 56 TRP . 25476 1 78 57 TRP . 25476 1 79 58 MET . 25476 1 80 59 GLU . 25476 1 81 60 LEU . 25476 1 82 61 GLU . 25476 1 83 62 ALA . 25476 1 84 63 GLN . 25476 1 85 64 GLU . 25476 1 86 65 LYS . 25476 1 87 66 ARG . 25476 1 88 67 PHE . 25476 1 89 68 THR . 25476 1 90 69 TYR . 25476 1 91 70 ARG . 25476 1 92 71 TYR . 25476 1 93 72 GLN . 25476 1 94 73 PHE . 25476 1 95 74 GLY . 25476 1 96 75 LEU . 25476 1 97 76 PHE . 25476 1 98 77 ASP . 25476 1 99 78 LYS . 25476 1 100 79 GLU . 25476 1 101 80 GLY . 25476 1 102 81 ASN . 25476 1 103 82 TRP . 25476 1 104 83 THR . 25476 1 105 84 VAL . 25476 1 106 85 VAL . 25476 1 107 86 PRO . 25476 1 108 87 ILE . 25476 1 109 88 ASN . 25476 1 110 89 GLU . 25476 1 111 90 THR . 25476 1 112 91 GLU . 25476 1 113 92 VAL . 25476 1 114 93 VAL . 25476 1 115 94 GLU . 25476 1 116 95 ARG . 25476 1 117 96 LEU . 25476 1 118 97 GLU . 25476 1 119 98 TYR . 25476 1 120 99 THR . 25476 1 121 100 LEU . 25476 1 122 101 ARG . 25476 1 123 102 GLU . 25476 1 124 103 PHE . 25476 1 125 104 HIS . 25476 1 126 105 GLU . 25476 1 127 106 LYS . 25476 1 128 107 LEU . 25476 1 129 108 ARG . 25476 1 130 109 ASP . 25476 1 131 110 LEU . 25476 1 132 111 LEU . 25476 1 133 112 ILE . 25476 1 134 113 SER . 25476 1 135 114 MET . 25476 1 136 115 GLU . 25476 1 137 116 LEU . 25476 1 138 117 ALA . 25476 1 139 118 LEU . 25476 1 140 119 GLU . 25476 1 141 120 PRO . 25476 1 142 121 SER . 25476 1 143 122 ASP . 25476 1 144 123 ASP . 25476 1 145 124 PHE . 25476 1 146 125 ASN . 25476 1 147 126 ASP . 25476 1 148 127 GLU . 25476 1 149 128 PRO . 25476 1 150 129 VAL . 25476 1 151 130 LYS . 25476 1 152 131 LEU . 25476 1 153 132 SER . 25476 1 154 133 ALA . 25476 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 . HIS 1 1 25476 1 . HIS 2 2 25476 1 . HIS 3 3 25476 1 . HIS 4 4 25476 1 . HIS 5 5 25476 1 . HIS 6 6 25476 1 . SER 7 7 25476 1 . SER 8 8 25476 1 . GLY 9 9 25476 1 . THR 10 10 25476 1 . GLY 11 11 25476 1 . SER 12 12 25476 1 . GLY 13 13 25476 1 . GLU 14 14 25476 1 . ASN 15 15 25476 1 . LEU 16 16 25476 1 . TYR 17 17 25476 1 . PHE 18 18 25476 1 . GLN 19 19 25476 1 . GLY 20 20 25476 1 . HIS 21 21 25476 1 . MET 22 22 25476 1 . THR 23 23 25476 1 . LEU 24 24 25476 1 . PRO 25 25 25476 1 . SER 26 26 25476 1 . GLY 27 27 25476 1 . HIS 28 28 25476 1 . PRO 29 29 25476 1 . LYS 30 30 25476 1 . SER 31 31 25476 1 . ARG 32 32 25476 1 . LEU 33 33 25476 1 . ILE 34 34 25476 1 . LYS 35 35 25476 1 . LYS 36 36 25476 1 . PHE 37 37 25476 1 . THR 38 38 25476 1 . ALA 39 39 25476 1 . LEU 40 40 25476 1 . GLY 41 41 25476 1 . PRO 42 42 25476 1 . TYR 43 43 25476 1 . ILE 44 44 25476 1 . ARG 45 45 25476 1 . GLU 46 46 25476 1 . GLY 47 47 25476 1 . GLN 48 48 25476 1 . CYS 49 49 25476 1 . GLU 50 50 25476 1 . ASP 51 51 25476 1 . ASN 52 52 25476 1 . ARG 53 53 25476 1 . PHE 54 54 25476 1 . PHE 55 55 25476 1 . PHE 56 56 25476 1 . ASP 57 57 25476 1 . CYS 58 58 25476 1 . LEU 59 59 25476 1 . ALA 60 60 25476 1 . VAL 61 61 25476 1 . CYS 62 62 25476 1 . VAL 63 63 25476 1 . ASN 64 64 25476 1 . VAL 65 65 25476 1 . LYS 66 66 25476 1 . PRO 67 67 25476 1 . ALA 68 68 25476 1 . PRO 69 69 25476 1 . GLU 70 70 25476 1 . LYS 71 71 25476 1 . ARG 72 72 25476 1 . GLU 73 73 25476 1 . PHE 74 74 25476 1 . TRP 75 75 25476 1 . GLY 76 76 25476 1 . TRP 77 77 25476 1 . TRP 78 78 25476 1 . MET 79 79 25476 1 . GLU 80 80 25476 1 . LEU 81 81 25476 1 . GLU 82 82 25476 1 . ALA 83 83 25476 1 . GLN 84 84 25476 1 . GLU 85 85 25476 1 . LYS 86 86 25476 1 . ARG 87 87 25476 1 . PHE 88 88 25476 1 . THR 89 89 25476 1 . TYR 90 90 25476 1 . ARG 91 91 25476 1 . TYR 92 92 25476 1 . GLN 93 93 25476 1 . PHE 94 94 25476 1 . GLY 95 95 25476 1 . LEU 96 96 25476 1 . PHE 97 97 25476 1 . ASP 98 98 25476 1 . LYS 99 99 25476 1 . GLU 100 100 25476 1 . GLY 101 101 25476 1 . ASN 102 102 25476 1 . TRP 103 103 25476 1 . THR 104 104 25476 1 . VAL 105 105 25476 1 . VAL 106 106 25476 1 . PRO 107 107 25476 1 . ILE 108 108 25476 1 . ASN 109 109 25476 1 . GLU 110 110 25476 1 . THR 111 111 25476 1 . GLU 112 112 25476 1 . VAL 113 113 25476 1 . VAL 114 114 25476 1 . GLU 115 115 25476 1 . ARG 116 116 25476 1 . LEU 117 117 25476 1 . GLU 118 118 25476 1 . TYR 119 119 25476 1 . THR 120 120 25476 1 . LEU 121 121 25476 1 . ARG 122 122 25476 1 . GLU 123 123 25476 1 . PHE 124 124 25476 1 . HIS 125 125 25476 1 . GLU 126 126 25476 1 . LYS 127 127 25476 1 . LEU 128 128 25476 1 . ARG 129 129 25476 1 . ASP 130 130 25476 1 . LEU 131 131 25476 1 . LEU 132 132 25476 1 . ILE 133 133 25476 1 . SER 134 134 25476 1 . MET 135 135 25476 1 . GLU 136 136 25476 1 . LEU 137 137 25476 1 . ALA 138 138 25476 1 . LEU 139 139 25476 1 . GLU 140 140 25476 1 . PRO 141 141 25476 1 . SER 142 142 25476 1 . ASP 143 143 25476 1 . ASP 144 144 25476 1 . PHE 145 145 25476 1 . ASN 146 146 25476 1 . ASP 147 147 25476 1 . GLU 148 148 25476 1 . PRO 149 149 25476 1 . VAL 150 150 25476 1 . LYS 151 151 25476 1 . LEU 152 152 25476 1 . SER 153 153 25476 1 . ALA 154 154 25476 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25476 _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 $His_ST-Crl . 99287 organism . 'Salmonella enterica subsp. enterica serovar Typhimurium' 'Salmonella enterica subsp. enterica serovar Typhimurium str. LT2' . . Bacteria . Salmonella enterica LT2 . . . . . . 14028 . . . . . 25476 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25476 _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 $His_ST-Crl . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pETM11 . . . 25476 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-Crl _Sample.Sf_category sample _Sample.Sf_framecode 15N-Crl _Sample.Entry_ID 25476 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 His_ST-Crl '[U-98% 15N]' . . 1 $His_ST-Crl . . 0.3 . . mM 0.03 . . . 25476 1 2 'Sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM 5.0 . . . 25476 1 3 'Sodium chloride' 'natural abundance' . . . . . . 300.0 . . mM 30.0 . . . 25476 1 4 Dithiotreitol 'natural abundance' . . . . . . 2.0 . . mM 0.2 . . . 25476 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25476 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25476 1 stop_ save_ save_15N13C-Crl _Sample.Sf_category sample _Sample.Sf_framecode 15N13C-Crl _Sample.Entry_ID 25476 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 His_ST-Crl '[U-98% 13C; U-98% 15N]' . . 1 $His_ST-Crl . . 0.25 . . mM 0.25 . . . 25476 2 2 'Sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM 5.0 . . . 25476 2 3 'Sodium chloride' 'natural abundance' . . . . . . 300.0 . . mM 30.0 . . . 25476 2 4 Dithiotreitol 'natural abundance' . . . . . . 2.0 . . mM 0.2 . . . 25476 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25476 2 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25476 2 stop_ save_ save_15N13C-Crl-D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N13C-Crl-D2O _Sample.Entry_ID 25476 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 His_ST-Crl '[U-98% 13C; U-98% 15N]' . . 1 $His_ST-Crl . . 0.35 . . mM 0.04 . . . 25476 3 2 'Sodium phosphate' 'natural abundance' . . . . . . 50.0 . . mM 5.0 . . . 25476 3 3 'Sodium chloride' 'natural abundance' . . . . . . 300.0 . . mM 30.0 . . . 25476 3 4 Dithiotreitol 'natural abundance' . . . . . . 2.0 . . mM 0.2 . . . 25476 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25476 3 stop_ save_ save_15N13C2H-Crl _Sample.Sf_category sample _Sample.Sf_framecode 15N13C2H-Crl _Sample.Entry_ID 25476 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 His_ST-Crl '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $His_ST-Crl . . 0.300 . . mM 0.03 . . . 25476 4 2 'Sodium phosphate' 'natural abundance' . . . . . . 50.000 . . mM 5.0 . . . 25476 4 3 'Sodium chloride' 'natural abundance' . . . . . . 300.000 . . mM 30.0 . . . 25476 4 4 Dithiotreitol 'natural abundance' . . . . . . 2.0 . . mM 0.2 . . . 25476 4 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25476 4 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25476 4 stop_ save_ ####################### # Sample conditions # ####################### save_pH8 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH8 _Sample_condition_list.Entry_ID 25476 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.300 . M 25476 1 pH 8.000 . pH 25476 1 pressure 1.000 . atm 25476 1 temperature 293.000 . K 25476 1 stop_ save_ save_pH6-5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH6-5 _Sample_condition_list.Entry_ID 25476 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.300 . M 25476 2 pH 6.500 . pH 25476 2 pressure 1.000 . atm 25476 2 temperature 293.000 . K 25476 2 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25476 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25476 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data analysis' 25476 1 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 25476 _Software.ID 2 _Software.Name Cyana _Software.Version 2.2 _Software.Details 'NMR structure calculation by torsion angle dynamics' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'L.A. Systems' 'Peter Guentert Group, University of Frankfurt, Frankfurt am Main' http://www.las.jp/english/products/cyana.html 25476 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR structure calculation' 25476 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25476 _Software.ID 3 _Software.Name NMRPipe _Software.Version 1.0 _Software.Details 'NMRPipe Spectral Processing and Analysis System' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'NIDDKD NIH' 'Ad Bax Group, The National Institute of Diabetes and Digestive and Kidney Diseases, Bethesda, MD 20892-2560' http://spin.niddk.nih.gov/NMRPipe/ 25476 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 25476 3 stop_ save_ save_Talos-N _Software.Sf_category software _Software.Sf_framecode Talos-N _Software.Entry_ID 25476 _Software.ID 4 _Software.Name Talos-N _Software.Version 1.0 _Software.Details 'Prediction of Protein Backbone and Sidechain Torsion Angles from Chemical Shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'NIDDKD NIH' 'Ad Bax Group, The National Institute of Diabetes and Digestive and Kidney Diseases, Bethesda, MD 20892-2560' http://spin.niddk.nih.gov/bax/nmrserver/talosn/ 25476 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral Angles' 25476 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25476 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25476 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25476 1 stop_ save_ save_CRP800 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP800 _NMR_spectrometer_probe.Entry_ID 25476 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCI cryoprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25476 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25476 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N-Crl isotropic . . 2 $pH6-5 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 2 $pH6-5 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 5 '3D HNCACB' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 2 $pH6-5 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 7 '3D HNCA' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 10 '3D HNCO' no . . . . . . . . . . 2 $15N13C-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N13C2H-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 12 '3D HNCO' no . . . . . . . . . . 4 $15N13C2H-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 13 '3D HN(CA)CO' no . . . . . . . . . . 4 $15N13C2H-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 14 '3D HNCA' no . . . . . . . . . . 4 $15N13C2H-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 15 '3D HN(CO)CA' no . . . . . . . . . . 4 $15N13C2H-Crl isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $15N13C-Crl-D2O isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 17 '3D hCCH-TOCSY' no . . . . . . . . . . 3 $15N13C-Crl-D2O isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $15N13C-Crl-D2O isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 19 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $15N13C-Crl-D2O isotropic . . 1 $pH8 . . . 1 $spectrometer_1 1 $CRP800 . . . . . . . . . . . . . . 25476 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25476 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 25476 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25476 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 25476 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25476 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH8 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $15N-Crl isotropic 25476 1 2 '3D 1H-15N NOESY' 1 $15N-Crl isotropic 25476 1 3 '2D 1H-15N HSQC' 1 $15N-Crl isotropic 25476 1 7 '3D HNCA' 2 $15N13C-Crl isotropic 25476 1 8 '3D HN(CO)CA' 2 $15N13C-Crl isotropic 25476 1 9 '3D CBCA(CO)NH' 2 $15N13C-Crl isotropic 25476 1 10 '3D HNCO' 2 $15N13C-Crl isotropic 25476 1 12 '3D HNCO' 4 $15N13C2H-Crl isotropic 25476 1 13 '3D HN(CA)CO' 4 $15N13C2H-Crl isotropic 25476 1 14 '3D HNCA' 4 $15N13C2H-Crl isotropic 25476 1 15 '3D HN(CO)CA' 4 $15N13C2H-Crl isotropic 25476 1 16 '2D 1H-13C HSQC' 3 $15N13C-Crl-D2O isotropic 25476 1 17 '3D hCCH-TOCSY' 3 $15N13C-Crl-D2O isotropic 25476 1 18 '3D 1H-13C NOESY' 3 $15N13C-Crl-D2O isotropic 25476 1 19 '2D 1H-1H NOESY' 3 $15N13C-Crl-D2O isotropic 25476 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 $CcpNmr_Analysis . . 25476 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 HIS HA H 1 4.59 0.02 . 1 . . 1 . -16 HIS HA . 25476 1 2 . 1 1 5 5 HIS HB2 H 1 3.03 0.02 . 2 . . 1 . -16 HIS HB2 . 25476 1 3 . 1 1 5 5 HIS HB3 H 1 3.08 0.02 . 2 . . 1 . -16 HIS HB3 . 25476 1 4 . 1 1 5 5 HIS HD2 H 1 6.91 0.02 . 1 . . 1 . -16 HIS HD2 . 25476 1 5 . 1 1 5 5 HIS CA C 13 56.50 0.25 . 1 . . 1 . -16 HIS CA . 25476 1 6 . 1 1 5 5 HIS CB C 13 31.05 0.25 . 1 . . 1 . -16 HIS CB . 25476 1 7 . 1 1 6 6 HIS HA H 1 4.54 0.02 . 1 . . 1 . -15 HIS HA . 25476 1 8 . 1 1 6 6 HIS HB2 H 1 2.94 0.02 . 2 . . 1 . -15 HIS HB2 . 25476 1 9 . 1 1 6 6 HIS HB3 H 1 2.97 0.02 . 2 . . 1 . -15 HIS HB3 . 25476 1 10 . 1 1 6 6 HIS HD2 H 1 6.82 0.02 . 1 . . 1 . -15 HIS HD2 . 25476 1 11 . 1 1 6 6 HIS HE1 H 1 7.65 0.02 . 1 . . 1 . -15 HIS HE1 . 25476 1 12 . 1 1 6 6 HIS CA C 13 56.37 0.25 . 1 . . 1 . -15 HIS CA . 25476 1 13 . 1 1 6 6 HIS CB C 13 30.98 0.25 . 1 . . 1 . -15 HIS CB . 25476 1 14 . 1 1 6 6 HIS CD2 C 13 119.28 0.25 . 1 . . 1 . -15 HIS CD2 . 25476 1 15 . 1 1 6 6 HIS CE1 C 13 138.45 0.25 . 1 . . 1 . -15 HIS CE1 . 25476 1 16 . 1 1 7 7 SER HA H 1 4.44 0.02 . 1 . . 1 . -14 SER HA . 25476 1 17 . 1 1 7 7 SER HB2 H 1 3.79 0.02 . 2 . . 1 . -14 SER HB2 . 25476 1 18 . 1 1 7 7 SER HB3 H 1 3.82 0.02 . 2 . . 1 . -14 SER HB3 . 25476 1 19 . 1 1 7 7 SER CA C 13 58.26 0.25 . 1 . . 1 . -14 SER CA . 25476 1 20 . 1 1 7 7 SER CB C 13 63.45 0.25 . 1 . . 1 . -14 SER CB . 25476 1 21 . 1 1 8 8 SER H H 1 8.57 0.02 . 1 . . 1 . -13 SER H . 25476 1 22 . 1 1 8 8 SER HA H 1 4.52 0.02 . 1 . . 1 . -13 SER HA . 25476 1 23 . 1 1 8 8 SER HB2 H 1 3.87 0.02 . 2 . . 1 . -13 SER HB2 . 25476 1 24 . 1 1 8 8 SER HB3 H 1 3.84 0.02 . 2 . . 1 . -13 SER HB3 . 25476 1 25 . 1 1 8 8 SER CA C 13 58.06 0.25 . 1 . . 1 . -13 SER CA . 25476 1 26 . 1 1 8 8 SER CB C 13 63.69 0.25 . 1 . . 1 . -13 SER CB . 25476 1 27 . 1 1 8 8 SER N N 15 118.69 0.15 . 1 . . 1 . -13 SER N . 25476 1 28 . 1 1 9 9 GLY H H 1 8.53 0.02 . 1 . . 1 . -12 GLY H . 25476 1 29 . 1 1 9 9 GLY HA2 H 1 4.08 0.02 . 1 . . 1 . -12 GLY HA2 . 25476 1 30 . 1 1 9 9 GLY HA3 H 1 4.08 0.02 . 1 . . 1 . -12 GLY HA3 . 25476 1 31 . 1 1 9 9 GLY CA C 13 45.26 0.25 . 1 . . 1 . -12 GLY CA . 25476 1 32 . 1 1 9 9 GLY N N 15 111.39 0.15 . 1 . . 1 . -12 GLY N . 25476 1 33 . 1 1 10 10 THR H H 1 8.23 0.02 . 1 . . 1 . -11 THR H . 25476 1 34 . 1 1 10 10 THR HA H 1 4.38 0.02 . 1 . . 1 . -11 THR HA . 25476 1 35 . 1 1 10 10 THR HB H 1 4.29 0.02 . 1 . . 1 . -11 THR HB . 25476 1 36 . 1 1 10 10 THR HG21 H 1 1.20 0.02 . 1 . . 1 . -11 THR HG21 . 25476 1 37 . 1 1 10 10 THR HG22 H 1 1.20 0.02 . 1 . . 1 . -11 THR HG22 . 25476 1 38 . 1 1 10 10 THR HG23 H 1 1.20 0.02 . 1 . . 1 . -11 THR HG23 . 25476 1 39 . 1 1 10 10 THR CA C 13 61.78 0.25 . 1 . . 1 . -11 THR CA . 25476 1 40 . 1 1 10 10 THR CB C 13 69.61 0.25 . 1 . . 1 . -11 THR CB . 25476 1 41 . 1 1 10 10 THR CG2 C 13 21.39 0.25 . 1 . . 1 . -11 THR CG2 . 25476 1 42 . 1 1 10 10 THR N N 15 113.67 0.15 . 1 . . 1 . -11 THR N . 25476 1 43 . 1 1 11 11 GLY H H 1 8.59 0.02 . 1 . . 1 . -10 GLY H . 25476 1 44 . 1 1 11 11 GLY HA2 H 1 4.05 0.02 . 1 . . 1 . -10 GLY HA2 . 25476 1 45 . 1 1 11 11 GLY HA3 H 1 4.05 0.02 . 1 . . 1 . -10 GLY HA3 . 25476 1 46 . 1 1 11 11 GLY CA C 13 45.21 0.25 . 1 . . 1 . -10 GLY CA . 25476 1 47 . 1 1 11 11 GLY N N 15 112.16 0.15 . 1 . . 1 . -10 GLY N . 25476 1 48 . 1 1 12 12 SER H H 1 8.38 0.02 . 1 . . 1 . -9 SER H . 25476 1 49 . 1 1 12 12 SER HA H 1 4.49 0.02 . 1 . . 1 . -9 SER HA . 25476 1 50 . 1 1 12 12 SER HB2 H 1 3.89 0.02 . 2 . . 1 . -9 SER HB2 . 25476 1 51 . 1 1 12 12 SER HB3 H 1 3.92 0.02 . 2 . . 1 . -9 SER HB3 . 25476 1 52 . 1 1 12 12 SER CA C 13 58.38 0.25 . 1 . . 1 . -9 SER CA . 25476 1 53 . 1 1 12 12 SER CB C 13 63.62 0.25 . 1 . . 1 . -9 SER CB . 25476 1 54 . 1 1 12 12 SER N N 15 116.39 0.15 . 1 . . 1 . -9 SER N . 25476 1 55 . 1 1 13 13 GLY H H 1 8.59 0.02 . 1 . . 1 . -8 GLY H . 25476 1 56 . 1 1 13 13 GLY HA2 H 1 3.98 0.02 . 2 . . 1 . -8 GLY HA2 . 25476 1 57 . 1 1 13 13 GLY HA3 H 1 4.00 0.02 . 2 . . 1 . -8 GLY HA3 . 25476 1 58 . 1 1 13 13 GLY C C 13 174.20 0.25 . 1 . . 1 . -8 GLY C . 25476 1 59 . 1 1 13 13 GLY CA C 13 45.34 0.25 . 1 . . 1 . -8 GLY CA . 25476 1 60 . 1 1 13 13 GLY N N 15 111.70 0.15 . 1 . . 1 . -8 GLY N . 25476 1 61 . 1 1 14 14 GLU H H 1 8.33 0.02 . 1 . . 1 . -7 GLU H . 25476 1 62 . 1 1 14 14 GLU HA H 1 4.26 0.02 . 1 . . 1 . -7 GLU HA . 25476 1 63 . 1 1 14 14 GLU HB2 H 1 2.04 0.02 . 2 . . 1 . -7 GLU HB2 . 25476 1 64 . 1 1 14 14 GLU HB3 H 1 1.92 0.02 . 2 . . 1 . -7 GLU HB3 . 25476 1 65 . 1 1 14 14 GLU HG2 H 1 2.24 0.02 . 2 . . 1 . -7 GLU HG2 . 25476 1 66 . 1 1 14 14 GLU HG3 H 1 2.22 0.02 . 2 . . 1 . -7 GLU HG3 . 25476 1 67 . 1 1 14 14 GLU C C 13 176.14 0.25 . 1 . . 1 . -7 GLU C . 25476 1 68 . 1 1 14 14 GLU CA C 13 56.55 0.25 . 1 . . 1 . -7 GLU CA . 25476 1 69 . 1 1 14 14 GLU CB C 13 30.16 0.25 . 1 . . 1 . -7 GLU CB . 25476 1 70 . 1 1 14 14 GLU CG C 13 36.15 0.25 . 1 . . 1 . -7 GLU CG . 25476 1 71 . 1 1 14 14 GLU N N 15 121.11 0.15 . 1 . . 1 . -7 GLU N . 25476 1 72 . 1 1 15 15 ASN H H 1 8.53 0.02 . 1 . . 1 . -6 ASN H . 25476 1 73 . 1 1 15 15 ASN HA H 1 4.66 0.02 . 1 . . 1 . -6 ASN HA . 25476 1 74 . 1 1 15 15 ASN HB2 H 1 2.79 0.02 . 2 . . 1 . -6 ASN HB2 . 25476 1 75 . 1 1 15 15 ASN HB3 H 1 2.72 0.02 . 2 . . 1 . -6 ASN HB3 . 25476 1 76 . 1 1 15 15 ASN HD21 H 1 6.86 0.02 . 1 . . 1 . -6 ASN HD21 . 25476 1 77 . 1 1 15 15 ASN HD22 H 1 7.54 0.02 . 1 . . 1 . -6 ASN HD22 . 25476 1 78 . 1 1 15 15 ASN C C 13 174.93 0.25 . 1 . . 1 . -6 ASN C . 25476 1 79 . 1 1 15 15 ASN CA C 13 53.21 0.25 . 1 . . 1 . -6 ASN CA . 25476 1 80 . 1 1 15 15 ASN CB C 13 38.55 0.25 . 1 . . 1 . -6 ASN CB . 25476 1 81 . 1 1 15 15 ASN N N 15 119.88 0.15 . 1 . . 1 . -6 ASN N . 25476 1 82 . 1 1 15 15 ASN ND2 N 15 113.06 0.15 . 1 . . 1 . -6 ASN ND2 . 25476 1 83 . 1 1 16 16 LEU H H 1 8.17 0.02 . 1 . . 1 . -5 LEU H . 25476 1 84 . 1 1 16 16 LEU HA H 1 4.23 0.02 . 1 . . 1 . -5 LEU HA . 25476 1 85 . 1 1 16 16 LEU HB2 H 1 1.47 0.02 . 2 . . 1 . -5 LEU HB2 . 25476 1 86 . 1 1 16 16 LEU HB3 H 1 1.33 0.02 . 2 . . 1 . -5 LEU HB3 . 25476 1 87 . 1 1 16 16 LEU HG H 1 1.46 0.02 . 1 . . 1 . -5 LEU HG . 25476 1 88 . 1 1 16 16 LEU HD11 H 1 0.79 0.02 . 2 . . 1 . -5 LEU HD11 . 25476 1 89 . 1 1 16 16 LEU HD12 H 1 0.79 0.02 . 2 . . 1 . -5 LEU HD12 . 25476 1 90 . 1 1 16 16 LEU HD13 H 1 0.79 0.02 . 2 . . 1 . -5 LEU HD13 . 25476 1 91 . 1 1 16 16 LEU HD21 H 1 0.86 0.02 . 2 . . 1 . -5 LEU HD21 . 25476 1 92 . 1 1 16 16 LEU HD22 H 1 0.86 0.02 . 2 . . 1 . -5 LEU HD22 . 25476 1 93 . 1 1 16 16 LEU HD23 H 1 0.86 0.02 . 2 . . 1 . -5 LEU HD23 . 25476 1 94 . 1 1 16 16 LEU C C 13 176.97 0.25 . 1 . . 1 . -5 LEU C . 25476 1 95 . 1 1 16 16 LEU CA C 13 55.33 0.25 . 1 . . 1 . -5 LEU CA . 25476 1 96 . 1 1 16 16 LEU CB C 13 42.12 0.25 . 1 . . 1 . -5 LEU CB . 25476 1 97 . 1 1 16 16 LEU CG C 13 26.73 0.25 . 1 . . 1 . -5 LEU CG . 25476 1 98 . 1 1 16 16 LEU CD1 C 13 23.24 0.25 . 2 . . 1 . -5 LEU CD1 . 25476 1 99 . 1 1 16 16 LEU CD2 C 13 24.78 0.25 . 2 . . 1 . -5 LEU CD2 . 25476 1 100 . 1 1 16 16 LEU N N 15 122.88 0.15 . 1 . . 1 . -5 LEU N . 25476 1 101 . 1 1 17 17 TYR H H 1 8.12 0.02 . 1 . . 1 . -4 TYR H . 25476 1 102 . 1 1 17 17 TYR HA H 1 4.56 0.02 . 1 . . 1 . -4 TYR HA . 25476 1 103 . 1 1 17 17 TYR HB2 H 1 2.98 0.02 . 2 . . 1 . -4 TYR HB2 . 25476 1 104 . 1 1 17 17 TYR HB3 H 1 2.84 0.02 . 2 . . 1 . -4 TYR HB3 . 25476 1 105 . 1 1 17 17 TYR HD1 H 1 7.04 0.02 . 3 . . 1 . -4 TYR HD1 . 25476 1 106 . 1 1 17 17 TYR HD2 H 1 7.04 0.02 . 3 . . 1 . -4 TYR HD2 . 25476 1 107 . 1 1 17 17 TYR HE1 H 1 6.79 0.02 . 3 . . 1 . -4 TYR HE1 . 25476 1 108 . 1 1 17 17 TYR HE2 H 1 6.79 0.02 . 3 . . 1 . -4 TYR HE2 . 25476 1 109 . 1 1 17 17 TYR C C 13 175.63 0.25 . 1 . . 1 . -4 TYR C . 25476 1 110 . 1 1 17 17 TYR CA C 13 57.67 0.25 . 1 . . 1 . -4 TYR CA . 25476 1 111 . 1 1 17 17 TYR CB C 13 38.72 0.25 . 1 . . 1 . -4 TYR CB . 25476 1 112 . 1 1 17 17 TYR CD1 C 13 133.18 0.25 . 3 . . 1 . -4 TYR CD1 . 25476 1 113 . 1 1 17 17 TYR CD2 C 13 133.18 0.25 . 3 . . 1 . -4 TYR CD2 . 25476 1 114 . 1 1 17 17 TYR CE1 C 13 118.01 0.25 . 3 . . 1 . -4 TYR CE1 . 25476 1 115 . 1 1 17 17 TYR CE2 C 13 118.01 0.25 . 3 . . 1 . -4 TYR CE2 . 25476 1 116 . 1 1 17 17 TYR N N 15 120.35 0.15 . 1 . . 1 . -4 TYR N . 25476 1 117 . 1 1 18 18 PHE H H 1 8.22 0.02 . 1 . . 1 . -3 PHE H . 25476 1 118 . 1 1 18 18 PHE HA H 1 4.54 0.02 . 1 . . 1 . -3 PHE HA . 25476 1 119 . 1 1 18 18 PHE HB2 H 1 3.06 0.02 . 2 . . 1 . -3 PHE HB2 . 25476 1 120 . 1 1 18 18 PHE HB3 H 1 3.06 0.02 . 2 . . 1 . -3 PHE HB3 . 25476 1 121 . 1 1 18 18 PHE HD1 H 1 7.24 0.02 . 3 . . 1 . -3 PHE HD1 . 25476 1 122 . 1 1 18 18 PHE HD2 H 1 7.24 0.02 . 3 . . 1 . -3 PHE HD2 . 25476 1 123 . 1 1 18 18 PHE HE1 H 1 7.32 0.02 . 3 . . 1 . -3 PHE HE1 . 25476 1 124 . 1 1 18 18 PHE HE2 H 1 7.32 0.02 . 3 . . 1 . -3 PHE HE2 . 25476 1 125 . 1 1 18 18 PHE HZ H 1 7.26 0.02 . 1 . . 1 . -3 PHE HZ . 25476 1 126 . 1 1 18 18 PHE C C 13 174.44 0.25 . 1 . . 1 . -3 PHE C . 25476 1 127 . 1 1 18 18 PHE CA C 13 57.81 0.25 . 1 . . 1 . -3 PHE CA . 25476 1 128 . 1 1 18 18 PHE CB C 13 39.39 0.25 . 1 . . 1 . -3 PHE CB . 25476 1 129 . 1 1 18 18 PHE CD1 C 13 131.68 0.25 . 3 . . 1 . -3 PHE CD1 . 25476 1 130 . 1 1 18 18 PHE CD2 C 13 131.68 0.25 . 3 . . 1 . -3 PHE CD2 . 25476 1 131 . 1 1 18 18 PHE CE1 C 13 131.51 0.25 . 3 . . 1 . -3 PHE CE1 . 25476 1 132 . 1 1 18 18 PHE CE2 C 13 131.51 0.25 . 3 . . 1 . -3 PHE CE2 . 25476 1 133 . 1 1 18 18 PHE CZ C 13 129.94 0.25 . 1 . . 1 . -3 PHE CZ . 25476 1 134 . 1 1 18 18 PHE N N 15 122.65 0.15 . 1 . . 1 . -3 PHE N . 25476 1 135 . 1 1 19 19 GLN H H 1 8.34 0.02 . 1 . . 1 . -2 GLN H . 25476 1 136 . 1 1 19 19 GLN HA H 1 4.18 0.02 . 1 . . 1 . -2 GLN HA . 25476 1 137 . 1 1 19 19 GLN HB2 H 1 2.10 0.02 . 2 . . 1 . -2 GLN HB2 . 25476 1 138 . 1 1 19 19 GLN HB3 H 1 1.88 0.02 . 2 . . 1 . -2 GLN HB3 . 25476 1 139 . 1 1 19 19 GLN HG2 H 1 2.13 0.02 . 2 . . 1 . -2 GLN HG2 . 25476 1 140 . 1 1 19 19 GLN HG3 H 1 2.25 0.02 . 2 . . 1 . -2 GLN HG3 . 25476 1 141 . 1 1 19 19 GLN CA C 13 55.89 0.25 . 1 . . 1 . -2 GLN CA . 25476 1 142 . 1 1 19 19 GLN CB C 13 28.81 0.25 . 1 . . 1 . -2 GLN CB . 25476 1 143 . 1 1 19 19 GLN CG C 13 33.60 0.25 . 1 . . 1 . -2 GLN CG . 25476 1 144 . 1 1 19 19 GLN N N 15 122.49 0.15 . 1 . . 1 . -2 GLN N . 25476 1 145 . 1 1 20 20 GLY H H 1 7.91 0.02 . 1 . . 1 . -1 GLY H . 25476 1 146 . 1 1 20 20 GLY HA2 H 1 3.94 0.02 . 2 . . 1 . -1 GLY HA2 . 25476 1 147 . 1 1 20 20 GLY HA3 H 1 3.95 0.02 . 2 . . 1 . -1 GLY HA3 . 25476 1 148 . 1 1 20 20 GLY CA C 13 45.30 0.25 . 1 . . 1 . -1 GLY CA . 25476 1 149 . 1 1 20 20 GLY N N 15 108.87 0.15 . 1 . . 1 . -1 GLY N . 25476 1 150 . 1 1 21 21 HIS H H 1 8.29 0.02 . 1 . . 1 . 0 HIS H . 25476 1 151 . 1 1 21 21 HIS HA H 1 4.51 0.02 . 1 . . 1 . 0 HIS HA . 25476 1 152 . 1 1 21 21 HIS HB2 H 1 2.91 0.02 . 2 . . 1 . 0 HIS HB2 . 25476 1 153 . 1 1 21 21 HIS HB3 H 1 3.00 0.02 . 2 . . 1 . 0 HIS HB3 . 25476 1 154 . 1 1 21 21 HIS HD2 H 1 6.81 0.02 . 1 . . 1 . 0 HIS HD2 . 25476 1 155 . 1 1 21 21 HIS HE1 H 1 7.73 0.02 . 1 . . 1 . 0 HIS HE1 . 25476 1 156 . 1 1 21 21 HIS CA C 13 56.30 0.25 . 1 . . 1 . 0 HIS CA . 25476 1 157 . 1 1 21 21 HIS CB C 13 31.04 0.25 . 1 . . 1 . 0 HIS CB . 25476 1 158 . 1 1 21 21 HIS CD2 C 13 119.40 0.25 . 1 . . 1 . 0 HIS CD2 . 25476 1 159 . 1 1 21 21 HIS CE1 C 13 138.57 0.25 . 1 . . 1 . 0 HIS CE1 . 25476 1 160 . 1 1 21 21 HIS N N 15 119.00 0.15 . 1 . . 1 . 0 HIS N . 25476 1 161 . 1 1 22 22 MET HA H 1 4.48 0.02 . 1 . . 1 A 1 MET HA . 25476 1 162 . 1 1 22 22 MET HB2 H 1 2.44 0.02 . 2 . . 1 A 1 MET HB2 . 25476 1 163 . 1 1 22 22 MET HB3 H 1 2.50 0.02 . 2 . . 1 A 1 MET HB3 . 25476 1 164 . 1 1 22 22 MET HG2 H 1 2.09 0.02 . 2 . . 1 A 1 MET HG2 . 25476 1 165 . 1 1 22 22 MET HG3 H 1 2.10 0.02 . 2 . . 1 A 1 MET HG3 . 25476 1 166 . 1 1 22 22 MET HE1 H 1 2.09 0.02 . 1 . . 1 A 1 MET HE1 . 25476 1 167 . 1 1 22 22 MET HE2 H 1 2.09 0.02 . 1 . . 1 A 1 MET HE2 . 25476 1 168 . 1 1 22 22 MET HE3 H 1 2.09 0.02 . 1 . . 1 A 1 MET HE3 . 25476 1 169 . 1 1 22 22 MET C C 13 176.11 0.25 . 1 . . 1 A 1 MET C . 25476 1 170 . 1 1 22 22 MET CA C 13 56.04 0.25 . 1 . . 1 A 1 MET CA . 25476 1 171 . 1 1 22 22 MET CB C 13 32.11 0.25 . 1 . . 1 A 1 MET CB . 25476 1 172 . 1 1 22 22 MET CG C 13 32.88 0.25 . 1 . . 1 A 1 MET CG . 25476 1 173 . 1 1 22 22 MET CE C 13 17.25 0.25 . 1 . . 1 A 1 MET CE . 25476 1 174 . 1 1 23 23 THR H H 1 8.47 0.02 . 1 . . 1 A 2 THR H . 25476 1 175 . 1 1 23 23 THR HA H 1 4.55 0.02 . 1 . . 1 A 2 THR HA . 25476 1 176 . 1 1 23 23 THR HB H 1 3.98 0.02 . 1 . . 1 A 2 THR HB . 25476 1 177 . 1 1 23 23 THR HG21 H 1 1.17 0.02 . 1 . . 1 A 2 THR HG21 . 25476 1 178 . 1 1 23 23 THR HG22 H 1 1.17 0.02 . 1 . . 1 A 2 THR HG22 . 25476 1 179 . 1 1 23 23 THR HG23 H 1 1.17 0.02 . 1 . . 1 A 2 THR HG23 . 25476 1 180 . 1 1 23 23 THR C C 13 174.15 0.25 . 1 . . 1 A 2 THR C . 25476 1 181 . 1 1 23 23 THR CA C 13 61.60 0.25 . 1 . . 1 A 2 THR CA . 25476 1 182 . 1 1 23 23 THR CB C 13 69.97 0.25 . 1 . . 1 A 2 THR CB . 25476 1 183 . 1 1 23 23 THR CG2 C 13 21.78 0.25 . 1 . . 1 A 2 THR CG2 . 25476 1 184 . 1 1 23 23 THR N N 15 118.28 0.15 . 1 . . 1 A 2 THR N . 25476 1 185 . 1 1 24 24 LEU H H 1 8.58 0.02 . 1 . . 1 A 3 LEU H . 25476 1 186 . 1 1 24 24 LEU HA H 1 4.66 0.02 . 1 . . 1 A 3 LEU HA . 25476 1 187 . 1 1 24 24 LEU HB2 H 1 1.92 0.02 . 1 . . 1 A 3 LEU HB2 . 25476 1 188 . 1 1 24 24 LEU HG H 1 1.51 0.02 . 1 . . 1 A 3 LEU HG . 25476 1 189 . 1 1 24 24 LEU HD11 H 1 1.16 0.02 . 2 . . 1 A 3 LEU HD11 . 25476 1 190 . 1 1 24 24 LEU HD12 H 1 1.16 0.02 . 2 . . 1 A 3 LEU HD12 . 25476 1 191 . 1 1 24 24 LEU HD13 H 1 1.16 0.02 . 2 . . 1 A 3 LEU HD13 . 25476 1 192 . 1 1 24 24 LEU HD21 H 1 1.17 0.02 . 2 . . 1 A 3 LEU HD21 . 25476 1 193 . 1 1 24 24 LEU HD22 H 1 1.17 0.02 . 2 . . 1 A 3 LEU HD22 . 25476 1 194 . 1 1 24 24 LEU HD23 H 1 1.17 0.02 . 2 . . 1 A 3 LEU HD23 . 25476 1 195 . 1 1 24 24 LEU C C 13 176.69 0.25 . 1 . . 1 A 3 LEU C . 25476 1 196 . 1 1 24 24 LEU CA C 13 53.54 0.25 . 1 . . 1 A 3 LEU CA . 25476 1 197 . 1 1 24 24 LEU CB C 13 40.05 0.25 . 1 . . 1 A 3 LEU CB . 25476 1 198 . 1 1 24 24 LEU CG C 13 27.41 0.25 . 1 . . 1 A 3 LEU CG . 25476 1 199 . 1 1 24 24 LEU CD1 C 13 22.43 0.25 . 2 . . 1 A 3 LEU CD1 . 25476 1 200 . 1 1 24 24 LEU CD2 C 13 26.68 0.25 . 2 . . 1 A 3 LEU CD2 . 25476 1 201 . 1 1 24 24 LEU N N 15 125.13 0.15 . 1 . . 1 A 3 LEU N . 25476 1 202 . 1 1 25 25 PRO HA H 1 4.36 0.02 . 1 . . 1 A 4 PRO HA . 25476 1 203 . 1 1 25 25 PRO HD3 H 1 3.58 0.02 . 1 . . 1 A 4 PRO HD3 . 25476 1 204 . 1 1 25 25 PRO CA C 13 65.47 0.25 . 1 . . 1 A 4 PRO CA . 25476 1 205 . 1 1 25 25 PRO CB C 13 31.89 0.25 . 1 . . 1 A 4 PRO CB . 25476 1 206 . 1 1 25 25 PRO CG C 13 28.05 0.25 . 1 . . 1 A 4 PRO CG . 25476 1 207 . 1 1 26 26 SER HA H 1 4.58 0.02 . 1 . . 1 A 5 SER HA . 25476 1 208 . 1 1 26 26 SER HB2 H 1 4.11 0.02 . 2 . . 1 A 5 SER HB2 . 25476 1 209 . 1 1 26 26 SER HB3 H 1 4.45 0.02 . 2 . . 1 A 5 SER HB3 . 25476 1 210 . 1 1 26 26 SER C C 13 175.51 0.25 . 1 . . 1 A 5 SER C . 25476 1 211 . 1 1 26 26 SER CA C 13 59.41 0.25 . 1 . . 1 A 5 SER CA . 25476 1 212 . 1 1 26 26 SER CB C 13 63.11 0.25 . 1 . . 1 A 5 SER CB . 25476 1 213 . 1 1 27 27 GLY H H 1 8.62 0.02 . 1 . . 1 A 6 GLY H . 25476 1 214 . 1 1 27 27 GLY HA2 H 1 4.29 0.02 . 2 . . 1 A 6 GLY HA2 . 25476 1 215 . 1 1 27 27 GLY HA3 H 1 3.55 0.02 . 2 . . 1 A 6 GLY HA3 . 25476 1 216 . 1 1 27 27 GLY C C 13 173.30 0.25 . 1 . . 1 A 6 GLY C . 25476 1 217 . 1 1 27 27 GLY CA C 13 44.53 0.25 . 1 . . 1 A 6 GLY CA . 25476 1 218 . 1 1 27 27 GLY N N 15 112.01 0.15 . 1 . . 1 A 6 GLY N . 25476 1 219 . 1 1 28 28 HIS H H 1 7.17 0.02 . 1 . . 1 A 7 HIS H . 25476 1 220 . 1 1 28 28 HIS HA H 1 4.68 0.02 . 1 . . 1 A 7 HIS HA . 25476 1 221 . 1 1 28 28 HIS HB2 H 1 3.15 0.02 . 2 . . 1 A 7 HIS HB2 . 25476 1 222 . 1 1 28 28 HIS HB3 H 1 3.09 0.02 . 2 . . 1 A 7 HIS HB3 . 25476 1 223 . 1 1 28 28 HIS HD2 H 1 7.00 0.02 . 1 . . 1 A 7 HIS HD2 . 25476 1 224 . 1 1 28 28 HIS HE1 H 1 7.87 0.02 . 1 . . 1 A 7 HIS HE1 . 25476 1 225 . 1 1 28 28 HIS CA C 13 56.34 0.25 . 1 . . 1 A 7 HIS CA . 25476 1 226 . 1 1 28 28 HIS CB C 13 31.03 0.25 . 1 . . 1 A 7 HIS CB . 25476 1 227 . 1 1 28 28 HIS CD2 C 13 119.24 0.25 . 1 . . 1 A 7 HIS CD2 . 25476 1 228 . 1 1 28 28 HIS CE1 C 13 138.41 0.25 . 1 . . 1 A 7 HIS CE1 . 25476 1 229 . 1 1 28 28 HIS N N 15 119.44 0.15 . 1 . . 1 A 7 HIS N . 25476 1 230 . 1 1 29 29 PRO HA H 1 4.79 0.02 . 1 . . 1 A 8 PRO HA . 25476 1 231 . 1 1 29 29 PRO HB2 H 1 2.50 0.02 . 2 . . 1 A 8 PRO HB2 . 25476 1 232 . 1 1 29 29 PRO HB3 H 1 2.00 0.02 . 2 . . 1 A 8 PRO HB3 . 25476 1 233 . 1 1 29 29 PRO C C 13 178.14 0.25 . 1 . . 1 A 8 PRO C . 25476 1 234 . 1 1 29 29 PRO CA C 13 62.85 0.25 . 1 . . 1 A 8 PRO CA . 25476 1 235 . 1 1 29 29 PRO CB C 13 31.98 0.25 . 1 . . 1 A 8 PRO CB . 25476 1 236 . 1 1 30 30 LYS H H 1 9.00 0.02 . 1 . . 1 A 9 LYS H . 25476 1 237 . 1 1 30 30 LYS HA H 1 4.17 0.02 . 1 . . 1 A 9 LYS HA . 25476 1 238 . 1 1 30 30 LYS C C 13 178.05 0.25 . 1 . . 1 A 9 LYS C . 25476 1 239 . 1 1 30 30 LYS CA C 13 60.83 0.25 . 1 . . 1 A 9 LYS CA . 25476 1 240 . 1 1 30 30 LYS N N 15 127.57 0.15 . 1 . . 1 A 9 LYS N . 25476 1 241 . 1 1 31 31 SER H H 1 9.17 0.02 . 1 . . 1 A 10 SER H . 25476 1 242 . 1 1 31 31 SER HA H 1 4.12 0.02 . 1 . . 1 A 10 SER HA . 25476 1 243 . 1 1 31 31 SER C C 13 176.75 0.25 . 1 . . 1 A 10 SER C . 25476 1 244 . 1 1 31 31 SER CA C 13 61.05 0.25 . 1 . . 1 A 10 SER CA . 25476 1 245 . 1 1 31 31 SER N N 15 113.61 0.15 . 1 . . 1 A 10 SER N . 25476 1 246 . 1 1 32 32 ARG H H 1 7.10 0.02 . 1 . . 1 A 11 ARG H . 25476 1 247 . 1 1 32 32 ARG HA H 1 4.15 0.02 . 1 . . 1 A 11 ARG HA . 25476 1 248 . 1 1 32 32 ARG HB2 H 1 2.04 0.02 . 2 . . 1 A 11 ARG HB2 . 25476 1 249 . 1 1 32 32 ARG HB3 H 1 1.93 0.02 . 2 . . 1 A 11 ARG HB3 . 25476 1 250 . 1 1 32 32 ARG HG2 H 1 1.78 0.02 . 2 . . 1 A 11 ARG HG2 . 25476 1 251 . 1 1 32 32 ARG HG3 H 1 1.56 0.02 . 2 . . 1 A 11 ARG HG3 . 25476 1 252 . 1 1 32 32 ARG HD2 H 1 3.27 0.02 . 2 . . 1 A 11 ARG HD2 . 25476 1 253 . 1 1 32 32 ARG HD3 H 1 3.24 0.02 . 2 . . 1 A 11 ARG HD3 . 25476 1 254 . 1 1 32 32 ARG C C 13 177.89 0.25 . 1 . . 1 A 11 ARG C . 25476 1 255 . 1 1 32 32 ARG CA C 13 58.28 0.25 . 1 . . 1 A 11 ARG CA . 25476 1 256 . 1 1 32 32 ARG CB C 13 30.01 0.25 . 1 . . 1 A 11 ARG CB . 25476 1 257 . 1 1 32 32 ARG CG C 13 27.00 0.25 . 1 . . 1 A 11 ARG CG . 25476 1 258 . 1 1 32 32 ARG CD C 13 43.25 0.25 . 1 . . 1 A 11 ARG CD . 25476 1 259 . 1 1 32 32 ARG N N 15 122.22 0.15 . 1 . . 1 A 11 ARG N . 25476 1 260 . 1 1 33 33 LEU H H 1 7.22 0.02 . 1 . . 1 A 12 LEU H . 25476 1 261 . 1 1 33 33 LEU HA H 1 3.57 0.02 . 1 . . 1 A 12 LEU HA . 25476 1 262 . 1 1 33 33 LEU HB2 H 1 1.62 0.02 . 2 . . 1 A 12 LEU HB2 . 25476 1 263 . 1 1 33 33 LEU HB3 H 1 1.03 0.02 . 2 . . 1 A 12 LEU HB3 . 25476 1 264 . 1 1 33 33 LEU HG H 1 1.22 0.02 . 1 . . 1 A 12 LEU HG . 25476 1 265 . 1 1 33 33 LEU HD11 H 1 0.27 0.02 . 2 . . 1 A 12 LEU HD11 . 25476 1 266 . 1 1 33 33 LEU HD12 H 1 0.27 0.02 . 2 . . 1 A 12 LEU HD12 . 25476 1 267 . 1 1 33 33 LEU HD13 H 1 0.27 0.02 . 2 . . 1 A 12 LEU HD13 . 25476 1 268 . 1 1 33 33 LEU HD21 H 1 0.46 0.02 . 2 . . 1 A 12 LEU HD21 . 25476 1 269 . 1 1 33 33 LEU HD22 H 1 0.46 0.02 . 2 . . 1 A 12 LEU HD22 . 25476 1 270 . 1 1 33 33 LEU HD23 H 1 0.46 0.02 . 2 . . 1 A 12 LEU HD23 . 25476 1 271 . 1 1 33 33 LEU C C 13 177.89 0.25 . 1 . . 1 A 12 LEU C . 25476 1 272 . 1 1 33 33 LEU CA C 13 56.00 0.25 . 1 . . 1 A 12 LEU CA . 25476 1 273 . 1 1 33 33 LEU CB C 13 39.44 0.25 . 1 . . 1 A 12 LEU CB . 25476 1 274 . 1 1 33 33 LEU CG C 13 27.82 0.25 . 1 . . 1 A 12 LEU CG . 25476 1 275 . 1 1 33 33 LEU CD1 C 13 23.40 0.25 . 2 . . 1 A 12 LEU CD1 . 25476 1 276 . 1 1 33 33 LEU CD2 C 13 24.37 0.25 . 2 . . 1 A 12 LEU CD2 . 25476 1 277 . 1 1 33 33 LEU N N 15 121.36 0.15 . 1 . . 1 A 12 LEU N . 25476 1 278 . 1 1 34 34 ILE H H 1 8.59 0.02 . 1 . . 1 A 13 ILE H . 25476 1 279 . 1 1 34 34 ILE HA H 1 3.77 0.02 . 1 . . 1 A 13 ILE HA . 25476 1 280 . 1 1 34 34 ILE HB H 1 2.13 0.02 . 1 . . 1 A 13 ILE HB . 25476 1 281 . 1 1 34 34 ILE HG12 H 1 1.57 0.02 . 2 . . 1 A 13 ILE HG12 . 25476 1 282 . 1 1 34 34 ILE HG13 H 1 1.99 0.02 . 2 . . 1 A 13 ILE HG13 . 25476 1 283 . 1 1 34 34 ILE HG21 H 1 1.01 0.02 . 1 . . 1 A 13 ILE HG21 . 25476 1 284 . 1 1 34 34 ILE HG22 H 1 1.01 0.02 . 1 . . 1 A 13 ILE HG22 . 25476 1 285 . 1 1 34 34 ILE HG23 H 1 1.01 0.02 . 1 . . 1 A 13 ILE HG23 . 25476 1 286 . 1 1 34 34 ILE HD11 H 1 1.12 0.02 . 1 . . 1 A 13 ILE HD11 . 25476 1 287 . 1 1 34 34 ILE HD12 H 1 1.12 0.02 . 1 . . 1 A 13 ILE HD12 . 25476 1 288 . 1 1 34 34 ILE HD13 H 1 1.12 0.02 . 1 . . 1 A 13 ILE HD13 . 25476 1 289 . 1 1 34 34 ILE C C 13 179.06 0.25 . 1 . . 1 A 13 ILE C . 25476 1 290 . 1 1 34 34 ILE CA C 13 65.13 0.25 . 1 . . 1 A 13 ILE CA . 25476 1 291 . 1 1 34 34 ILE CB C 13 36.43 0.25 . 1 . . 1 A 13 ILE CB . 25476 1 292 . 1 1 34 34 ILE CG1 C 13 29.18 0.25 . 1 . . 1 A 13 ILE CG1 . 25476 1 293 . 1 1 34 34 ILE CG2 C 13 16.93 0.25 . 1 . . 1 A 13 ILE CG2 . 25476 1 294 . 1 1 34 34 ILE CD1 C 13 12.29 0.25 . 1 . . 1 A 13 ILE CD1 . 25476 1 295 . 1 1 34 34 ILE N N 15 118.92 0.15 . 1 . . 1 A 13 ILE N . 25476 1 296 . 1 1 35 35 LYS H H 1 7.73 0.02 . 1 . . 1 A 14 LYS H . 25476 1 297 . 1 1 35 35 LYS HA H 1 4.13 0.02 . 1 . . 1 A 14 LYS HA . 25476 1 298 . 1 1 35 35 LYS HB2 H 1 2.00 0.02 . 2 . . 1 A 14 LYS HB2 . 25476 1 299 . 1 1 35 35 LYS HB3 H 1 2.01 0.02 . 2 . . 1 A 14 LYS HB3 . 25476 1 300 . 1 1 35 35 LYS HG2 H 1 1.49 0.02 . 2 . . 1 A 14 LYS HG2 . 25476 1 301 . 1 1 35 35 LYS HG3 H 1 1.62 0.02 . 2 . . 1 A 14 LYS HG3 . 25476 1 302 . 1 1 35 35 LYS HD2 H 1 1.76 0.02 . 2 . . 1 A 14 LYS HD2 . 25476 1 303 . 1 1 35 35 LYS HD3 H 1 1.75 0.02 . 2 . . 1 A 14 LYS HD3 . 25476 1 304 . 1 1 35 35 LYS HE3 H 1 3.02 0.02 . 1 . . 1 A 14 LYS HE3 . 25476 1 305 . 1 1 35 35 LYS C C 13 179.81 0.25 . 1 . . 1 A 14 LYS C . 25476 1 306 . 1 1 35 35 LYS CA C 13 60.06 0.25 . 1 . . 1 A 14 LYS CA . 25476 1 307 . 1 1 35 35 LYS CB C 13 32.08 0.25 . 1 . . 1 A 14 LYS CB . 25476 1 308 . 1 1 35 35 LYS CG C 13 25.09 0.25 . 1 . . 1 A 14 LYS CG . 25476 1 309 . 1 1 35 35 LYS CD C 13 29.12 0.25 . 1 . . 1 A 14 LYS CD . 25476 1 310 . 1 1 35 35 LYS CE C 13 41.80 0.25 . 1 . . 1 A 14 LYS CE . 25476 1 311 . 1 1 35 35 LYS N N 15 121.95 0.15 . 1 . . 1 A 14 LYS N . 25476 1 312 . 1 1 36 36 LYS H H 1 7.80 0.02 . 1 . . 1 A 15 LYS H . 25476 1 313 . 1 1 36 36 LYS HA H 1 4.12 0.02 . 1 . . 1 A 15 LYS HA . 25476 1 314 . 1 1 36 36 LYS HB2 H 1 1.75 0.02 . 2 . . 1 A 15 LYS HB2 . 25476 1 315 . 1 1 36 36 LYS HB3 H 1 1.61 0.02 . 2 . . 1 A 15 LYS HB3 . 25476 1 316 . 1 1 36 36 LYS HG2 H 1 1.54 0.02 . 2 . . 1 A 15 LYS HG2 . 25476 1 317 . 1 1 36 36 LYS HG3 H 1 1.52 0.02 . 2 . . 1 A 15 LYS HG3 . 25476 1 318 . 1 1 36 36 LYS HD2 H 1 1.46 0.02 . 2 . . 1 A 15 LYS HD2 . 25476 1 319 . 1 1 36 36 LYS HD3 H 1 1.58 0.02 . 2 . . 1 A 15 LYS HD3 . 25476 1 320 . 1 1 36 36 LYS HE2 H 1 2.83 0.02 . 2 . . 1 A 15 LYS HE2 . 25476 1 321 . 1 1 36 36 LYS HE3 H 1 2.92 0.02 . 2 . . 1 A 15 LYS HE3 . 25476 1 322 . 1 1 36 36 LYS C C 13 179.70 0.25 . 1 . . 1 A 15 LYS C . 25476 1 323 . 1 1 36 36 LYS CA C 13 58.73 0.25 . 1 . . 1 A 15 LYS CA . 25476 1 324 . 1 1 36 36 LYS CB C 13 31.95 0.25 . 1 . . 1 A 15 LYS CB . 25476 1 325 . 1 1 36 36 LYS CG C 13 24.97 0.25 . 1 . . 1 A 15 LYS CG . 25476 1 326 . 1 1 36 36 LYS CD C 13 28.59 0.25 . 1 . . 1 A 15 LYS CD . 25476 1 327 . 1 1 36 36 LYS CE C 13 41.65 0.25 . 1 . . 1 A 15 LYS CE . 25476 1 328 . 1 1 36 36 LYS N N 15 119.75 0.15 . 1 . . 1 A 15 LYS N . 25476 1 329 . 1 1 37 37 PHE H H 1 9.13 0.02 . 1 . . 1 A 16 PHE H . 25476 1 330 . 1 1 37 37 PHE HA H 1 4.76 0.02 . 1 . . 1 A 16 PHE HA . 25476 1 331 . 1 1 37 37 PHE HB2 H 1 3.42 0.02 . 2 . . 1 A 16 PHE HB2 . 25476 1 332 . 1 1 37 37 PHE HB3 H 1 3.50 0.02 . 2 . . 1 A 16 PHE HB3 . 25476 1 333 . 1 1 37 37 PHE HD1 H 1 6.78 0.02 . 3 . . 1 A 16 PHE HD1 . 25476 1 334 . 1 1 37 37 PHE HD2 H 1 6.78 0.02 . 3 . . 1 A 16 PHE HD2 . 25476 1 335 . 1 1 37 37 PHE HE1 H 1 6.07 0.02 . 3 . . 1 A 16 PHE HE1 . 25476 1 336 . 1 1 37 37 PHE HE2 H 1 6.07 0.02 . 3 . . 1 A 16 PHE HE2 . 25476 1 337 . 1 1 37 37 PHE HZ H 1 6.58 0.02 . 1 . . 1 A 16 PHE HZ . 25476 1 338 . 1 1 37 37 PHE C C 13 180.96 0.25 . 1 . . 1 A 16 PHE C . 25476 1 339 . 1 1 37 37 PHE CA C 13 56.64 0.25 . 1 . . 1 A 16 PHE CA . 25476 1 340 . 1 1 37 37 PHE CB C 13 38.80 0.25 . 1 . . 1 A 16 PHE CB . 25476 1 341 . 1 1 37 37 PHE CD1 C 13 129.47 0.25 . 3 . . 1 A 16 PHE CD1 . 25476 1 342 . 1 1 37 37 PHE CD2 C 13 129.47 0.25 . 3 . . 1 A 16 PHE CD2 . 25476 1 343 . 1 1 37 37 PHE CE1 C 13 130.46 0.25 . 3 . . 1 A 16 PHE CE1 . 25476 1 344 . 1 1 37 37 PHE CE2 C 13 130.46 0.25 . 3 . . 1 A 16 PHE CE2 . 25476 1 345 . 1 1 37 37 PHE N N 15 117.66 0.15 . 1 . . 1 A 16 PHE N . 25476 1 346 . 1 1 38 38 THR H H 1 8.94 0.02 . 1 . . 1 A 17 THR H . 25476 1 347 . 1 1 38 38 THR HA H 1 4.37 0.02 . 1 . . 1 A 17 THR HA . 25476 1 348 . 1 1 38 38 THR HB H 1 4.51 0.02 . 1 . . 1 A 17 THR HB . 25476 1 349 . 1 1 38 38 THR HG21 H 1 1.44 0.02 . 1 . . 1 A 17 THR HG21 . 25476 1 350 . 1 1 38 38 THR HG22 H 1 1.44 0.02 . 1 . . 1 A 17 THR HG22 . 25476 1 351 . 1 1 38 38 THR HG23 H 1 1.44 0.02 . 1 . . 1 A 17 THR HG23 . 25476 1 352 . 1 1 38 38 THR C C 13 175.55 0.25 . 1 . . 1 A 17 THR C . 25476 1 353 . 1 1 38 38 THR CA C 13 66.84 0.25 . 1 . . 1 A 17 THR CA . 25476 1 354 . 1 1 38 38 THR CB C 13 68.92 0.25 . 1 . . 1 A 17 THR CB . 25476 1 355 . 1 1 38 38 THR CG2 C 13 21.09 0.25 . 1 . . 1 A 17 THR CG2 . 25476 1 356 . 1 1 38 38 THR N N 15 120.13 0.15 . 1 . . 1 A 17 THR N . 25476 1 357 . 1 1 39 39 ALA H H 1 7.31 0.02 . 1 . . 1 A 18 ALA H . 25476 1 358 . 1 1 39 39 ALA HA H 1 4.38 0.02 . 1 . . 1 A 18 ALA HA . 25476 1 359 . 1 1 39 39 ALA HB1 H 1 1.64 0.02 . 1 . . 1 A 18 ALA HB1 . 25476 1 360 . 1 1 39 39 ALA HB2 H 1 1.64 0.02 . 1 . . 1 A 18 ALA HB2 . 25476 1 361 . 1 1 39 39 ALA HB3 H 1 1.64 0.02 . 1 . . 1 A 18 ALA HB3 . 25476 1 362 . 1 1 39 39 ALA C C 13 178.11 0.25 . 1 . . 1 A 18 ALA C . 25476 1 363 . 1 1 39 39 ALA CA C 13 53.39 0.25 . 1 . . 1 A 18 ALA CA . 25476 1 364 . 1 1 39 39 ALA CB C 13 18.30 0.25 . 1 . . 1 A 18 ALA CB . 25476 1 365 . 1 1 39 39 ALA N N 15 122.17 0.15 . 1 . . 1 A 18 ALA N . 25476 1 366 . 1 1 40 40 LEU H H 1 7.58 0.02 . 1 . . 1 A 19 LEU H . 25476 1 367 . 1 1 40 40 LEU HA H 1 4.37 0.02 . 1 . . 1 A 19 LEU HA . 25476 1 368 . 1 1 40 40 LEU HB2 H 1 1.69 0.02 . 2 . . 1 A 19 LEU HB2 . 25476 1 369 . 1 1 40 40 LEU HB3 H 1 2.47 0.02 . 2 . . 1 A 19 LEU HB3 . 25476 1 370 . 1 1 40 40 LEU HG H 1 2.23 0.02 . 1 . . 1 A 19 LEU HG . 25476 1 371 . 1 1 40 40 LEU HD11 H 1 0.84 0.02 . 2 . . 1 A 19 LEU HD11 . 25476 1 372 . 1 1 40 40 LEU HD12 H 1 0.84 0.02 . 2 . . 1 A 19 LEU HD12 . 25476 1 373 . 1 1 40 40 LEU HD13 H 1 0.84 0.02 . 2 . . 1 A 19 LEU HD13 . 25476 1 374 . 1 1 40 40 LEU HD21 H 1 0.82 0.02 . 2 . . 1 A 19 LEU HD21 . 25476 1 375 . 1 1 40 40 LEU HD22 H 1 0.82 0.02 . 2 . . 1 A 19 LEU HD22 . 25476 1 376 . 1 1 40 40 LEU HD23 H 1 0.82 0.02 . 2 . . 1 A 19 LEU HD23 . 25476 1 377 . 1 1 40 40 LEU C C 13 176.62 0.25 . 1 . . 1 A 19 LEU C . 25476 1 378 . 1 1 40 40 LEU CA C 13 56.63 0.25 . 1 . . 1 A 19 LEU CA . 25476 1 379 . 1 1 40 40 LEU CB C 13 42.42 0.25 . 1 . . 1 A 19 LEU CB . 25476 1 380 . 1 1 40 40 LEU CG C 13 26.48 0.25 . 1 . . 1 A 19 LEU CG . 25476 1 381 . 1 1 40 40 LEU CD1 C 13 26.60 0.25 . 2 . . 1 A 19 LEU CD1 . 25476 1 382 . 1 1 40 40 LEU CD2 C 13 22.76 0.25 . 2 . . 1 A 19 LEU CD2 . 25476 1 383 . 1 1 40 40 LEU N N 15 116.08 0.15 . 1 . . 1 A 19 LEU N . 25476 1 384 . 1 1 41 41 GLY H H 1 7.65 0.02 . 1 . . 1 A 20 GLY H . 25476 1 385 . 1 1 41 41 GLY HA2 H 1 5.00 0.02 . 2 . . 1 A 20 GLY HA2 . 25476 1 386 . 1 1 41 41 GLY HA3 H 1 3.95 0.02 . 2 . . 1 A 20 GLY HA3 . 25476 1 387 . 1 1 41 41 GLY CA C 13 44.06 0.25 . 1 . . 1 A 20 GLY CA . 25476 1 388 . 1 1 41 41 GLY N N 15 103.28 0.15 . 1 . . 1 A 20 GLY N . 25476 1 389 . 1 1 42 42 PRO HA H 1 4.87 0.02 . 1 . . 1 A 21 PRO HA . 25476 1 390 . 1 1 42 42 PRO HB2 H 1 2.23 0.02 . 2 . . 1 A 21 PRO HB2 . 25476 1 391 . 1 1 42 42 PRO HB3 H 1 2.10 0.02 . 2 . . 1 A 21 PRO HB3 . 25476 1 392 . 1 1 42 42 PRO HG2 H 1 1.84 0.02 . 1 . . 1 A 21 PRO HG2 . 25476 1 393 . 1 1 42 42 PRO HD2 H 1 3.06 0.02 . 2 . . 1 A 21 PRO HD2 . 25476 1 394 . 1 1 42 42 PRO HD3 H 1 3.44 0.02 . 2 . . 1 A 21 PRO HD3 . 25476 1 395 . 1 1 42 42 PRO C C 13 174.85 0.25 . 1 . . 1 A 21 PRO C . 25476 1 396 . 1 1 42 42 PRO CA C 13 63.14 0.25 . 1 . . 1 A 21 PRO CA . 25476 1 397 . 1 1 42 42 PRO CB C 13 28.90 0.25 . 1 . . 1 A 21 PRO CB . 25476 1 398 . 1 1 42 42 PRO CD C 13 48.99 0.25 . 1 . . 1 A 21 PRO CD . 25476 1 399 . 1 1 43 43 TYR H H 1 7.68 0.02 . 1 . . 1 A 22 TYR H . 25476 1 400 . 1 1 43 43 TYR HA H 1 5.18 0.02 . 1 . . 1 A 22 TYR HA . 25476 1 401 . 1 1 43 43 TYR HB2 H 1 2.78 0.02 . 2 . . 1 A 22 TYR HB2 . 25476 1 402 . 1 1 43 43 TYR HB3 H 1 3.17 0.02 . 2 . . 1 A 22 TYR HB3 . 25476 1 403 . 1 1 43 43 TYR HD1 H 1 6.79 0.02 . 3 . . 1 A 22 TYR HD1 . 25476 1 404 . 1 1 43 43 TYR HD2 H 1 6.79 0.02 . 3 . . 1 A 22 TYR HD2 . 25476 1 405 . 1 1 43 43 TYR C C 13 176.34 0.25 . 1 . . 1 A 22 TYR C . 25476 1 406 . 1 1 43 43 TYR CA C 13 57.78 0.25 . 1 . . 1 A 22 TYR CA . 25476 1 407 . 1 1 43 43 TYR CB C 13 41.50 0.25 . 1 . . 1 A 22 TYR CB . 25476 1 408 . 1 1 43 43 TYR N N 15 120.69 0.15 . 1 . . 1 A 22 TYR N . 25476 1 409 . 1 1 44 44 ILE H H 1 8.86 0.02 . 1 . . 1 A 23 ILE H . 25476 1 410 . 1 1 44 44 ILE HA H 1 4.12 0.02 . 1 . . 1 A 23 ILE HA . 25476 1 411 . 1 1 44 44 ILE HB H 1 1.82 0.02 . 1 . . 1 A 23 ILE HB . 25476 1 412 . 1 1 44 44 ILE HG12 H 1 0.95 0.02 . 2 . . 1 A 23 ILE HG12 . 25476 1 413 . 1 1 44 44 ILE HG13 H 1 1.06 0.02 . 2 . . 1 A 23 ILE HG13 . 25476 1 414 . 1 1 44 44 ILE HG21 H 1 1.10 0.02 . 1 . . 1 A 23 ILE HG21 . 25476 1 415 . 1 1 44 44 ILE HG22 H 1 1.10 0.02 . 1 . . 1 A 23 ILE HG22 . 25476 1 416 . 1 1 44 44 ILE HG23 H 1 1.10 0.02 . 1 . . 1 A 23 ILE HG23 . 25476 1 417 . 1 1 44 44 ILE HD11 H 1 1.21 0.02 . 1 . . 1 A 23 ILE HD11 . 25476 1 418 . 1 1 44 44 ILE HD12 H 1 1.21 0.02 . 1 . . 1 A 23 ILE HD12 . 25476 1 419 . 1 1 44 44 ILE HD13 H 1 1.21 0.02 . 1 . . 1 A 23 ILE HD13 . 25476 1 420 . 1 1 44 44 ILE C C 13 174.21 0.25 . 1 . . 1 A 23 ILE C . 25476 1 421 . 1 1 44 44 ILE CA C 13 61.83 0.25 . 1 . . 1 A 23 ILE CA . 25476 1 422 . 1 1 44 44 ILE CB C 13 38.50 0.25 . 1 . . 1 A 23 ILE CB . 25476 1 423 . 1 1 44 44 ILE CG1 C 13 29.66 0.25 . 1 . . 1 A 23 ILE CG1 . 25476 1 424 . 1 1 44 44 ILE CG2 C 13 15.24 0.25 . 1 . . 1 A 23 ILE CG2 . 25476 1 425 . 1 1 44 44 ILE CD1 C 13 16.69 0.25 . 1 . . 1 A 23 ILE CD1 . 25476 1 426 . 1 1 44 44 ILE N N 15 119.13 0.15 . 1 . . 1 A 23 ILE N . 25476 1 427 . 1 1 45 45 ARG H H 1 8.10 0.02 . 1 . . 1 A 24 ARG H . 25476 1 428 . 1 1 45 45 ARG HD2 H 1 3.00 0.02 . 2 . . 1 A 24 ARG HD2 . 25476 1 429 . 1 1 45 45 ARG HD3 H 1 2.68 0.02 . 2 . . 1 A 24 ARG HD3 . 25476 1 430 . 1 1 45 45 ARG C C 13 177.29 0.25 . 1 . . 1 A 24 ARG C . 25476 1 431 . 1 1 45 45 ARG CA C 13 52.09 0.25 . 1 . . 1 A 24 ARG CA . 25476 1 432 . 1 1 45 45 ARG CD C 13 44.23 0.25 . 1 . . 1 A 24 ARG CD . 25476 1 433 . 1 1 45 45 ARG N N 15 126.54 0.15 . 1 . . 1 A 24 ARG N . 25476 1 434 . 1 1 46 46 GLU H H 1 9.40 0.02 . 1 . . 1 A 25 GLU H . 25476 1 435 . 1 1 46 46 GLU HA H 1 4.10 0.02 . 1 . . 1 A 25 GLU HA . 25476 1 436 . 1 1 46 46 GLU HB2 H 1 2.10 0.02 . 2 . . 1 A 25 GLU HB2 . 25476 1 437 . 1 1 46 46 GLU HB3 H 1 2.10 0.02 . 2 . . 1 A 25 GLU HB3 . 25476 1 438 . 1 1 46 46 GLU HG2 H 1 2.30 0.02 . 2 . . 1 A 25 GLU HG2 . 25476 1 439 . 1 1 46 46 GLU HG3 H 1 2.29 0.02 . 2 . . 1 A 25 GLU HG3 . 25476 1 440 . 1 1 46 46 GLU C C 13 176.78 0.25 . 1 . . 1 A 25 GLU C . 25476 1 441 . 1 1 46 46 GLU CA C 13 60.86 0.25 . 1 . . 1 A 25 GLU CA . 25476 1 442 . 1 1 46 46 GLU CB C 13 29.65 0.25 . 1 . . 1 A 25 GLU CB . 25476 1 443 . 1 1 46 46 GLU CG C 13 36.79 0.25 . 1 . . 1 A 25 GLU CG . 25476 1 444 . 1 1 46 46 GLU N N 15 126.99 0.15 . 1 . . 1 A 25 GLU N . 25476 1 445 . 1 1 47 47 GLY H H 1 8.07 0.02 . 1 . . 1 A 26 GLY H . 25476 1 446 . 1 1 47 47 GLY HA2 H 1 3.79 0.02 . 2 . . 1 A 26 GLY HA2 . 25476 1 447 . 1 1 47 47 GLY HA3 H 1 3.93 0.02 . 2 . . 1 A 26 GLY HA3 . 25476 1 448 . 1 1 47 47 GLY C C 13 174.38 0.25 . 1 . . 1 A 26 GLY C . 25476 1 449 . 1 1 47 47 GLY CA C 13 45.52 0.25 . 1 . . 1 A 26 GLY CA . 25476 1 450 . 1 1 47 47 GLY N N 15 109.83 0.15 . 1 . . 1 A 26 GLY N . 25476 1 451 . 1 1 48 48 GLN H H 1 7.69 0.02 . 1 . . 1 A 27 GLN H . 25476 1 452 . 1 1 48 48 GLN HA H 1 4.31 0.02 . 1 . . 1 A 27 GLN HA . 25476 1 453 . 1 1 48 48 GLN HG2 H 1 2.38 0.02 . 2 . . 1 A 27 GLN HG2 . 25476 1 454 . 1 1 48 48 GLN HG3 H 1 2.05 0.02 . 2 . . 1 A 27 GLN HG3 . 25476 1 455 . 1 1 48 48 GLN C C 13 175.35 0.25 . 1 . . 1 A 27 GLN C . 25476 1 456 . 1 1 48 48 GLN CA C 13 55.32 0.25 . 1 . . 1 A 27 GLN CA . 25476 1 457 . 1 1 48 48 GLN CB C 13 29.34 0.25 . 1 . . 1 A 27 GLN CB . 25476 1 458 . 1 1 48 48 GLN CG C 13 33.68 0.25 . 1 . . 1 A 27 GLN CG . 25476 1 459 . 1 1 48 48 GLN CD C 13 179.15 0.25 . 1 . . 1 A 27 GLN CD . 25476 1 460 . 1 1 48 48 GLN N N 15 117.67 0.15 . 1 . . 1 A 27 GLN N . 25476 1 461 . 1 1 49 49 CYS H H 1 7.51 0.02 . 1 . . 1 A 28 CYS H . 25476 1 462 . 1 1 49 49 CYS HA H 1 4.54 0.02 . 1 . . 1 A 28 CYS HA . 25476 1 463 . 1 1 49 49 CYS HB2 H 1 2.67 0.02 . 2 . . 1 A 28 CYS HB2 . 25476 1 464 . 1 1 49 49 CYS HB3 H 1 2.74 0.02 . 2 . . 1 A 28 CYS HB3 . 25476 1 465 . 1 1 49 49 CYS C C 13 173.48 0.25 . 1 . . 1 A 28 CYS C . 25476 1 466 . 1 1 49 49 CYS CA C 13 58.81 0.25 . 1 . . 1 A 28 CYS CA . 25476 1 467 . 1 1 49 49 CYS CB C 13 27.07 0.25 . 1 . . 1 A 28 CYS CB . 25476 1 468 . 1 1 49 49 CYS N N 15 119.77 0.15 . 1 . . 1 A 28 CYS N . 25476 1 469 . 1 1 50 50 GLU H H 1 7.84 0.02 . 1 . . 1 A 29 GLU H . 25476 1 470 . 1 1 50 50 GLU HA H 1 4.54 0.02 . 1 . . 1 A 29 GLU HA . 25476 1 471 . 1 1 50 50 GLU HB2 H 1 1.81 0.02 . 2 . . 1 A 29 GLU HB2 . 25476 1 472 . 1 1 50 50 GLU HB3 H 1 2.00 0.02 . 2 . . 1 A 29 GLU HB3 . 25476 1 473 . 1 1 50 50 GLU HG2 H 1 2.30 0.02 . 2 . . 1 A 29 GLU HG2 . 25476 1 474 . 1 1 50 50 GLU HG3 H 1 2.31 0.02 . 2 . . 1 A 29 GLU HG3 . 25476 1 475 . 1 1 50 50 GLU C C 13 174.81 0.25 . 1 . . 1 A 29 GLU C . 25476 1 476 . 1 1 50 50 GLU CA C 13 55.56 0.25 . 1 . . 1 A 29 GLU CA . 25476 1 477 . 1 1 50 50 GLU CB C 13 30.03 0.25 . 1 . . 1 A 29 GLU CB . 25476 1 478 . 1 1 50 50 GLU CG C 13 36.27 0.25 . 1 . . 1 A 29 GLU CG . 25476 1 479 . 1 1 50 50 GLU N N 15 124.37 0.15 . 1 . . 1 A 29 GLU N . 25476 1 480 . 1 1 52 52 ASN HA H 1 4.58 0.02 . 1 . . 1 A 31 ASN HA . 25476 1 481 . 1 1 52 52 ASN HB2 H 1 2.65 0.02 . 2 . . 1 A 31 ASN HB2 . 25476 1 482 . 1 1 52 52 ASN HB3 H 1 2.73 0.02 . 2 . . 1 A 31 ASN HB3 . 25476 1 483 . 1 1 52 52 ASN HD21 H 1 7.38 0.02 . 1 . . 1 A 31 ASN HD21 . 25476 1 484 . 1 1 52 52 ASN HD22 H 1 6.63 0.02 . 1 . . 1 A 31 ASN HD22 . 25476 1 485 . 1 1 52 52 ASN CA C 13 53.45 0.25 . 1 . . 1 A 31 ASN CA . 25476 1 486 . 1 1 52 52 ASN CB C 13 39.20 0.25 . 1 . . 1 A 31 ASN CB . 25476 1 487 . 1 1 52 52 ASN ND2 N 15 110.98 0.15 . 1 . . 1 A 31 ASN ND2 . 25476 1 488 . 1 1 53 53 ARG HA H 1 5.51 0.02 . 1 . . 1 A 32 ARG HA . 25476 1 489 . 1 1 53 53 ARG HB2 H 1 1.17 0.02 . 2 . . 1 A 32 ARG HB2 . 25476 1 490 . 1 1 53 53 ARG HB3 H 1 1.40 0.02 . 2 . . 1 A 32 ARG HB3 . 25476 1 491 . 1 1 53 53 ARG HG2 H 1 1.23 0.02 . 2 . . 1 A 32 ARG HG2 . 25476 1 492 . 1 1 53 53 ARG HG3 H 1 1.33 0.02 . 2 . . 1 A 32 ARG HG3 . 25476 1 493 . 1 1 53 53 ARG HD2 H 1 3.06 0.02 . 2 . . 1 A 32 ARG HD2 . 25476 1 494 . 1 1 53 53 ARG HD3 H 1 3.15 0.02 . 2 . . 1 A 32 ARG HD3 . 25476 1 495 . 1 1 53 53 ARG CA C 13 55.05 0.25 . 1 . . 1 A 32 ARG CA . 25476 1 496 . 1 1 53 53 ARG CB C 13 33.48 0.25 . 1 . . 1 A 32 ARG CB . 25476 1 497 . 1 1 53 53 ARG CG C 13 26.79 0.25 . 1 . . 1 A 32 ARG CG . 25476 1 498 . 1 1 53 53 ARG CD C 13 42.95 0.25 . 1 . . 1 A 32 ARG CD . 25476 1 499 . 1 1 54 54 PHE HD1 H 1 7.42 0.02 . 3 . . 1 A 33 PHE HD1 . 25476 1 500 . 1 1 54 54 PHE HD2 H 1 7.42 0.02 . 3 . . 1 A 33 PHE HD2 . 25476 1 501 . 1 1 54 54 PHE HE1 H 1 7.37 0.02 . 3 . . 1 A 33 PHE HE1 . 25476 1 502 . 1 1 54 54 PHE HE2 H 1 7.37 0.02 . 3 . . 1 A 33 PHE HE2 . 25476 1 503 . 1 1 55 55 PHE HA H 1 5.24 0.02 . 1 . . 1 A 34 PHE HA . 25476 1 504 . 1 1 55 55 PHE HB2 H 1 2.83 0.02 . 2 . . 1 A 34 PHE HB2 . 25476 1 505 . 1 1 55 55 PHE HB3 H 1 2.93 0.02 . 2 . . 1 A 34 PHE HB3 . 25476 1 506 . 1 1 55 55 PHE HD1 H 1 7.07 0.02 . 3 . . 1 A 34 PHE HD1 . 25476 1 507 . 1 1 55 55 PHE HD2 H 1 7.07 0.02 . 3 . . 1 A 34 PHE HD2 . 25476 1 508 . 1 1 55 55 PHE C C 13 172.21 0.25 . 1 . . 1 A 34 PHE C . 25476 1 509 . 1 1 55 55 PHE CA C 13 57.69 0.25 . 1 . . 1 A 34 PHE CA . 25476 1 510 . 1 1 55 55 PHE CB C 13 44.10 0.25 . 1 . . 1 A 34 PHE CB . 25476 1 511 . 1 1 56 56 PHE H H 1 8.66 0.02 . 1 . . 1 A 35 PHE H . 25476 1 512 . 1 1 56 56 PHE HA H 1 5.17 0.02 . 1 . . 1 A 35 PHE HA . 25476 1 513 . 1 1 56 56 PHE HB2 H 1 2.64 0.02 . 2 . . 1 A 35 PHE HB2 . 25476 1 514 . 1 1 56 56 PHE HB3 H 1 2.82 0.02 . 2 . . 1 A 35 PHE HB3 . 25476 1 515 . 1 1 56 56 PHE HD1 H 1 7.08 0.02 . 3 . . 1 A 35 PHE HD1 . 25476 1 516 . 1 1 56 56 PHE HD2 H 1 7.08 0.02 . 3 . . 1 A 35 PHE HD2 . 25476 1 517 . 1 1 56 56 PHE HE1 H 1 6.08 0.02 . 3 . . 1 A 35 PHE HE1 . 25476 1 518 . 1 1 56 56 PHE HE2 H 1 6.08 0.02 . 3 . . 1 A 35 PHE HE2 . 25476 1 519 . 1 1 56 56 PHE HZ H 1 6.88 0.02 . 1 . . 1 A 35 PHE HZ . 25476 1 520 . 1 1 56 56 PHE C C 13 173.11 0.25 . 1 . . 1 A 35 PHE C . 25476 1 521 . 1 1 56 56 PHE CA C 13 54.86 0.25 . 1 . . 1 A 35 PHE CA . 25476 1 522 . 1 1 56 56 PHE CB C 13 43.25 0.25 . 1 . . 1 A 35 PHE CB . 25476 1 523 . 1 1 56 56 PHE N N 15 125.80 0.15 . 1 . . 1 A 35 PHE N . 25476 1 524 . 1 1 57 57 ASP H H 1 9.37 0.02 . 1 . . 1 A 36 ASP H . 25476 1 525 . 1 1 57 57 ASP HA H 1 4.58 0.02 . 1 . . 1 A 36 ASP HA . 25476 1 526 . 1 1 57 57 ASP HB2 H 1 2.68 0.02 . 2 . . 1 A 36 ASP HB2 . 25476 1 527 . 1 1 57 57 ASP HB3 H 1 2.60 0.02 . 2 . . 1 A 36 ASP HB3 . 25476 1 528 . 1 1 57 57 ASP CA C 13 54.16 0.25 . 1 . . 1 A 36 ASP CA . 25476 1 529 . 1 1 57 57 ASP CB C 13 41.03 0.25 . 1 . . 1 A 36 ASP CB . 25476 1 530 . 1 1 57 57 ASP N N 15 120.96 0.15 . 1 . . 1 A 36 ASP N . 25476 1 531 . 1 1 58 58 CYS HA H 1 3.99 0.02 . 1 . . 1 A 37 CYS HA . 25476 1 532 . 1 1 58 58 CYS HB2 H 1 2.61 0.02 . 2 . . 1 A 37 CYS HB2 . 25476 1 533 . 1 1 58 58 CYS HB3 H 1 3.35 0.02 . 2 . . 1 A 37 CYS HB3 . 25476 1 534 . 1 1 58 58 CYS C C 13 173.46 0.25 . 1 . . 1 A 37 CYS C . 25476 1 535 . 1 1 58 58 CYS CA C 13 57.61 0.25 . 1 . . 1 A 37 CYS CA . 25476 1 536 . 1 1 58 58 CYS CB C 13 27.17 0.25 . 1 . . 1 A 37 CYS CB . 25476 1 537 . 1 1 59 59 LEU H H 1 8.43 0.02 . 1 . . 1 A 38 LEU H . 25476 1 538 . 1 1 59 59 LEU HA H 1 4.21 0.02 . 1 . . 1 A 38 LEU HA . 25476 1 539 . 1 1 59 59 LEU HB2 H 1 1.14 0.02 . 2 . . 1 A 38 LEU HB2 . 25476 1 540 . 1 1 59 59 LEU HB3 H 1 0.31 0.02 . 2 . . 1 A 38 LEU HB3 . 25476 1 541 . 1 1 59 59 LEU HG H 1 0.93 0.02 . 1 . . 1 A 38 LEU HG . 25476 1 542 . 1 1 59 59 LEU HD11 H 1 -0.17 0.02 . 2 . . 1 A 38 LEU HD11 . 25476 1 543 . 1 1 59 59 LEU HD12 H 1 -0.17 0.02 . 2 . . 1 A 38 LEU HD12 . 25476 1 544 . 1 1 59 59 LEU HD13 H 1 -0.17 0.02 . 2 . . 1 A 38 LEU HD13 . 25476 1 545 . 1 1 59 59 LEU HD21 H 1 -0.05 0.02 . 2 . . 1 A 38 LEU HD21 . 25476 1 546 . 1 1 59 59 LEU HD22 H 1 -0.05 0.02 . 2 . . 1 A 38 LEU HD22 . 25476 1 547 . 1 1 59 59 LEU HD23 H 1 -0.05 0.02 . 2 . . 1 A 38 LEU HD23 . 25476 1 548 . 1 1 59 59 LEU C C 13 175.57 0.25 . 1 . . 1 A 38 LEU C . 25476 1 549 . 1 1 59 59 LEU CA C 13 53.53 0.25 . 1 . . 1 A 38 LEU CA . 25476 1 550 . 1 1 59 59 LEU CB C 13 37.27 0.25 . 1 . . 1 A 38 LEU CB . 25476 1 551 . 1 1 59 59 LEU CG C 13 26.96 0.25 . 1 . . 1 A 38 LEU CG . 25476 1 552 . 1 1 59 59 LEU CD1 C 13 23.90 0.25 . 2 . . 1 A 38 LEU CD1 . 25476 1 553 . 1 1 59 59 LEU CD2 C 13 23.73 0.25 . 2 . . 1 A 38 LEU CD2 . 25476 1 554 . 1 1 59 59 LEU N N 15 131.89 0.15 . 1 . . 1 A 38 LEU N . 25476 1 555 . 1 1 60 60 ALA H H 1 7.96 0.02 . 1 . . 1 A 39 ALA H . 25476 1 556 . 1 1 60 60 ALA HA H 1 4.34 0.02 . 1 . . 1 A 39 ALA HA . 25476 1 557 . 1 1 60 60 ALA HB1 H 1 1.67 0.02 . 1 . . 1 A 39 ALA HB1 . 25476 1 558 . 1 1 60 60 ALA HB2 H 1 1.67 0.02 . 1 . . 1 A 39 ALA HB2 . 25476 1 559 . 1 1 60 60 ALA HB3 H 1 1.67 0.02 . 1 . . 1 A 39 ALA HB3 . 25476 1 560 . 1 1 60 60 ALA C C 13 178.50 0.25 . 1 . . 1 A 39 ALA C . 25476 1 561 . 1 1 60 60 ALA CA C 13 55.38 0.25 . 1 . . 1 A 39 ALA CA . 25476 1 562 . 1 1 60 60 ALA CB C 13 21.11 0.25 . 1 . . 1 A 39 ALA CB . 25476 1 563 . 1 1 60 60 ALA N N 15 127.10 0.15 . 1 . . 1 A 39 ALA N . 25476 1 564 . 1 1 61 61 VAL H H 1 8.59 0.02 . 1 . . 1 A 40 VAL H . 25476 1 565 . 1 1 61 61 VAL HA H 1 4.62 0.02 . 1 . . 1 A 40 VAL HA . 25476 1 566 . 1 1 61 61 VAL HB H 1 2.42 0.02 . 1 . . 1 A 40 VAL HB . 25476 1 567 . 1 1 61 61 VAL HG11 H 1 1.25 0.02 . 2 . . 1 A 40 VAL HG11 . 25476 1 568 . 1 1 61 61 VAL HG12 H 1 1.25 0.02 . 2 . . 1 A 40 VAL HG12 . 25476 1 569 . 1 1 61 61 VAL HG13 H 1 1.25 0.02 . 2 . . 1 A 40 VAL HG13 . 25476 1 570 . 1 1 61 61 VAL HG21 H 1 1.14 0.02 . 2 . . 1 A 40 VAL HG21 . 25476 1 571 . 1 1 61 61 VAL HG22 H 1 1.14 0.02 . 2 . . 1 A 40 VAL HG22 . 25476 1 572 . 1 1 61 61 VAL HG23 H 1 1.14 0.02 . 2 . . 1 A 40 VAL HG23 . 25476 1 573 . 1 1 61 61 VAL C C 13 173.99 0.25 . 1 . . 1 A 40 VAL C . 25476 1 574 . 1 1 61 61 VAL CA C 13 60.94 0.25 . 1 . . 1 A 40 VAL CA . 25476 1 575 . 1 1 61 61 VAL CB C 13 36.48 0.25 . 1 . . 1 A 40 VAL CB . 25476 1 576 . 1 1 61 61 VAL CG1 C 13 21.03 0.25 . 2 . . 1 A 40 VAL CG1 . 25476 1 577 . 1 1 61 61 VAL CG2 C 13 21.31 0.25 . 2 . . 1 A 40 VAL CG2 . 25476 1 578 . 1 1 61 61 VAL N N 15 116.26 0.15 . 1 . . 1 A 40 VAL N . 25476 1 579 . 1 1 62 62 CYS HA H 1 3.88 0.02 . 1 . . 1 A 41 CYS HA . 25476 1 580 . 1 1 62 62 CYS HB2 H 1 2.86 0.02 . 2 . . 1 A 41 CYS HB2 . 25476 1 581 . 1 1 62 62 CYS HB3 H 1 2.47 0.02 . 2 . . 1 A 41 CYS HB3 . 25476 1 582 . 1 1 62 62 CYS C C 13 174.64 0.25 . 1 . . 1 A 41 CYS C . 25476 1 583 . 1 1 62 62 CYS CA C 13 59.28 0.25 . 1 . . 1 A 41 CYS CA . 25476 1 584 . 1 1 62 62 CYS CB C 13 26.70 0.25 . 1 . . 1 A 41 CYS CB . 25476 1 585 . 1 1 63 63 VAL H H 1 8.61 0.02 . 1 . . 1 A 42 VAL H . 25476 1 586 . 1 1 63 63 VAL HA H 1 3.48 0.02 . 1 . . 1 A 42 VAL HA . 25476 1 587 . 1 1 63 63 VAL HB H 1 1.59 0.02 . 1 . . 1 A 42 VAL HB . 25476 1 588 . 1 1 63 63 VAL HG11 H 1 0.67 0.02 . 2 . . 1 A 42 VAL HG11 . 25476 1 589 . 1 1 63 63 VAL HG12 H 1 0.67 0.02 . 2 . . 1 A 42 VAL HG12 . 25476 1 590 . 1 1 63 63 VAL HG13 H 1 0.67 0.02 . 2 . . 1 A 42 VAL HG13 . 25476 1 591 . 1 1 63 63 VAL HG21 H 1 -0.20 0.02 . 2 . . 1 A 42 VAL HG21 . 25476 1 592 . 1 1 63 63 VAL HG22 H 1 -0.20 0.02 . 2 . . 1 A 42 VAL HG22 . 25476 1 593 . 1 1 63 63 VAL HG23 H 1 -0.20 0.02 . 2 . . 1 A 42 VAL HG23 . 25476 1 594 . 1 1 63 63 VAL C C 13 176.27 0.25 . 1 . . 1 A 42 VAL C . 25476 1 595 . 1 1 63 63 VAL CA C 13 65.39 0.25 . 1 . . 1 A 42 VAL CA . 25476 1 596 . 1 1 63 63 VAL CB C 13 31.84 0.25 . 1 . . 1 A 42 VAL CB . 25476 1 597 . 1 1 63 63 VAL CG1 C 13 20.45 0.25 . 2 . . 1 A 42 VAL CG1 . 25476 1 598 . 1 1 63 63 VAL CG2 C 13 20.50 0.25 . 2 . . 1 A 42 VAL CG2 . 25476 1 599 . 1 1 63 63 VAL N N 15 131.32 0.15 . 1 . . 1 A 42 VAL N . 25476 1 600 . 1 1 64 64 ASN H H 1 7.28 0.02 . 1 . . 1 A 43 ASN H . 25476 1 601 . 1 1 64 64 ASN HA H 1 4.79 0.02 . 1 . . 1 A 43 ASN HA . 25476 1 602 . 1 1 64 64 ASN HB2 H 1 2.93 0.02 . 2 . . 1 A 43 ASN HB2 . 25476 1 603 . 1 1 64 64 ASN HB3 H 1 2.53 0.02 . 2 . . 1 A 43 ASN HB3 . 25476 1 604 . 1 1 64 64 ASN C C 13 175.16 0.25 . 1 . . 1 A 43 ASN C . 25476 1 605 . 1 1 64 64 ASN CA C 13 52.69 0.25 . 1 . . 1 A 43 ASN CA . 25476 1 606 . 1 1 64 64 ASN CB C 13 39.94 0.25 . 1 . . 1 A 43 ASN CB . 25476 1 607 . 1 1 64 64 ASN N N 15 116.07 0.15 . 1 . . 1 A 43 ASN N . 25476 1 608 . 1 1 65 65 VAL H H 1 8.52 0.02 . 1 . . 1 A 44 VAL H . 25476 1 609 . 1 1 65 65 VAL HA H 1 4.12 0.02 . 1 . . 1 A 44 VAL HA . 25476 1 610 . 1 1 65 65 VAL HB H 1 2.36 0.02 . 1 . . 1 A 44 VAL HB . 25476 1 611 . 1 1 65 65 VAL HG11 H 1 0.96 0.02 . 2 . . 1 A 44 VAL HG11 . 25476 1 612 . 1 1 65 65 VAL HG12 H 1 0.96 0.02 . 2 . . 1 A 44 VAL HG12 . 25476 1 613 . 1 1 65 65 VAL HG13 H 1 0.96 0.02 . 2 . . 1 A 44 VAL HG13 . 25476 1 614 . 1 1 65 65 VAL HG21 H 1 0.92 0.02 . 2 . . 1 A 44 VAL HG21 . 25476 1 615 . 1 1 65 65 VAL HG22 H 1 0.92 0.02 . 2 . . 1 A 44 VAL HG22 . 25476 1 616 . 1 1 65 65 VAL HG23 H 1 0.92 0.02 . 2 . . 1 A 44 VAL HG23 . 25476 1 617 . 1 1 65 65 VAL C C 13 175.46 0.25 . 1 . . 1 A 44 VAL C . 25476 1 618 . 1 1 65 65 VAL CA C 13 61.93 0.25 . 1 . . 1 A 44 VAL CA . 25476 1 619 . 1 1 65 65 VAL CB C 13 31.63 0.25 . 1 . . 1 A 44 VAL CB . 25476 1 620 . 1 1 65 65 VAL CG1 C 13 21.01 0.25 . 2 . . 1 A 44 VAL CG1 . 25476 1 621 . 1 1 65 65 VAL CG2 C 13 18.87 0.25 . 2 . . 1 A 44 VAL CG2 . 25476 1 622 . 1 1 65 65 VAL N N 15 121.35 0.15 . 1 . . 1 A 44 VAL N . 25476 1 623 . 1 1 66 66 LYS H H 1 8.10 0.02 . 1 . . 1 A 45 LYS H . 25476 1 624 . 1 1 66 66 LYS HA H 1 4.21 0.02 . 1 . . 1 A 45 LYS HA . 25476 1 625 . 1 1 66 66 LYS HB2 H 1 1.79 0.02 . 2 . . 1 A 45 LYS HB2 . 25476 1 626 . 1 1 66 66 LYS HB3 H 1 1.89 0.02 . 2 . . 1 A 45 LYS HB3 . 25476 1 627 . 1 1 66 66 LYS HG2 H 1 1.54 0.02 . 2 . . 1 A 45 LYS HG2 . 25476 1 628 . 1 1 66 66 LYS HG3 H 1 1.42 0.02 . 2 . . 1 A 45 LYS HG3 . 25476 1 629 . 1 1 66 66 LYS HD2 H 1 1.71 0.02 . 2 . . 1 A 45 LYS HD2 . 25476 1 630 . 1 1 66 66 LYS HD3 H 1 1.71 0.02 . 2 . . 1 A 45 LYS HD3 . 25476 1 631 . 1 1 66 66 LYS HE2 H 1 2.98 0.02 . 2 . . 1 A 45 LYS HE2 . 25476 1 632 . 1 1 66 66 LYS HE3 H 1 3.00 0.02 . 2 . . 1 A 45 LYS HE3 . 25476 1 633 . 1 1 66 66 LYS CA C 13 59.08 0.25 . 1 . . 1 A 45 LYS CA . 25476 1 634 . 1 1 66 66 LYS CB C 13 30.50 0.25 . 1 . . 1 A 45 LYS CB . 25476 1 635 . 1 1 66 66 LYS CG C 13 25.30 0.25 . 1 . . 1 A 45 LYS CG . 25476 1 636 . 1 1 66 66 LYS CD C 13 28.80 0.25 . 1 . . 1 A 45 LYS CD . 25476 1 637 . 1 1 66 66 LYS CE C 13 41.76 0.25 . 1 . . 1 A 45 LYS CE . 25476 1 638 . 1 1 66 66 LYS N N 15 123.19 0.15 . 1 . . 1 A 45 LYS N . 25476 1 639 . 1 1 67 67 PRO HA H 1 4.37 0.02 . 1 . . 1 A 46 PRO HA . 25476 1 640 . 1 1 67 67 PRO HB2 H 1 2.21 0.02 . 2 . . 1 A 46 PRO HB2 . 25476 1 641 . 1 1 67 67 PRO HB3 H 1 1.53 0.02 . 2 . . 1 A 46 PRO HB3 . 25476 1 642 . 1 1 67 67 PRO HG2 H 1 1.82 0.02 . 2 . . 1 A 46 PRO HG2 . 25476 1 643 . 1 1 67 67 PRO HG3 H 1 1.86 0.02 . 2 . . 1 A 46 PRO HG3 . 25476 1 644 . 1 1 67 67 PRO HD2 H 1 3.42 0.02 . 2 . . 1 A 46 PRO HD2 . 25476 1 645 . 1 1 67 67 PRO HD3 H 1 3.44 0.02 . 2 . . 1 A 46 PRO HD3 . 25476 1 646 . 1 1 67 67 PRO C C 13 174.38 0.25 . 1 . . 1 A 46 PRO C . 25476 1 647 . 1 1 67 67 PRO CA C 13 63.06 0.25 . 1 . . 1 A 46 PRO CA . 25476 1 648 . 1 1 67 67 PRO CB C 13 31.66 0.25 . 1 . . 1 A 46 PRO CB . 25476 1 649 . 1 1 67 67 PRO CG C 13 27.68 0.25 . 1 . . 1 A 46 PRO CG . 25476 1 650 . 1 1 67 67 PRO CD C 13 50.26 0.25 . 1 . . 1 A 46 PRO CD . 25476 1 651 . 1 1 68 68 ALA H H 1 8.30 0.02 . 1 . . 1 A 47 ALA H . 25476 1 652 . 1 1 68 68 ALA HA H 1 4.47 0.02 . 1 . . 1 A 47 ALA HA . 25476 1 653 . 1 1 68 68 ALA HB1 H 1 1.38 0.02 . 1 . . 1 A 47 ALA HB1 . 25476 1 654 . 1 1 68 68 ALA HB2 H 1 1.38 0.02 . 1 . . 1 A 47 ALA HB2 . 25476 1 655 . 1 1 68 68 ALA HB3 H 1 1.38 0.02 . 1 . . 1 A 47 ALA HB3 . 25476 1 656 . 1 1 68 68 ALA C C 13 176.13 0.25 . 1 . . 1 A 47 ALA C . 25476 1 657 . 1 1 68 68 ALA CA C 13 50.74 0.25 . 1 . . 1 A 47 ALA CA . 25476 1 658 . 1 1 68 68 ALA CB C 13 17.30 0.25 . 1 . . 1 A 47 ALA CB . 25476 1 659 . 1 1 68 68 ALA N N 15 124.50 0.15 . 1 . . 1 A 47 ALA N . 25476 1 660 . 1 1 69 69 PRO HA H 1 3.81 0.02 . 1 . . 1 A 48 PRO HA . 25476 1 661 . 1 1 69 69 PRO HB2 H 1 1.99 0.02 . 2 . . 1 A 48 PRO HB2 . 25476 1 662 . 1 1 69 69 PRO HB3 H 1 2.36 0.02 . 2 . . 1 A 48 PRO HB3 . 25476 1 663 . 1 1 69 69 PRO HG2 H 1 2.23 0.02 . 2 . . 1 A 48 PRO HG2 . 25476 1 664 . 1 1 69 69 PRO HG3 H 1 1.99 0.02 . 2 . . 1 A 48 PRO HG3 . 25476 1 665 . 1 1 69 69 PRO HD2 H 1 3.87 0.02 . 2 . . 1 A 48 PRO HD2 . 25476 1 666 . 1 1 69 69 PRO HD3 H 1 3.76 0.02 . 2 . . 1 A 48 PRO HD3 . 25476 1 667 . 1 1 69 69 PRO C C 13 178.27 0.25 . 1 . . 1 A 48 PRO C . 25476 1 668 . 1 1 69 69 PRO CA C 13 66.15 0.25 . 1 . . 1 A 48 PRO CA . 25476 1 669 . 1 1 69 69 PRO CB C 13 31.99 0.25 . 1 . . 1 A 48 PRO CB . 25476 1 670 . 1 1 69 69 PRO CG C 13 27.61 0.25 . 1 . . 1 A 48 PRO CG . 25476 1 671 . 1 1 69 69 PRO CD C 13 49.93 0.25 . 1 . . 1 A 48 PRO CD . 25476 1 672 . 1 1 70 70 GLU H H 1 9.39 0.02 . 1 . . 1 A 49 GLU H . 25476 1 673 . 1 1 70 70 GLU HA H 1 4.29 0.02 . 1 . . 1 A 49 GLU HA . 25476 1 674 . 1 1 70 70 GLU HB2 H 1 2.07 0.02 . 2 . . 1 A 49 GLU HB2 . 25476 1 675 . 1 1 70 70 GLU HB3 H 1 2.00 0.02 . 2 . . 1 A 49 GLU HB3 . 25476 1 676 . 1 1 70 70 GLU HG2 H 1 2.21 0.02 . 2 . . 1 A 49 GLU HG2 . 25476 1 677 . 1 1 70 70 GLU HG3 H 1 2.34 0.02 . 2 . . 1 A 49 GLU HG3 . 25476 1 678 . 1 1 70 70 GLU C C 13 176.55 0.25 . 1 . . 1 A 49 GLU C . 25476 1 679 . 1 1 70 70 GLU CA C 13 58.12 0.25 . 1 . . 1 A 49 GLU CA . 25476 1 680 . 1 1 70 70 GLU CB C 13 28.29 0.25 . 1 . . 1 A 49 GLU CB . 25476 1 681 . 1 1 70 70 GLU CG C 13 36.00 0.25 . 1 . . 1 A 49 GLU CG . 25476 1 682 . 1 1 70 70 GLU N N 15 116.30 0.15 . 1 . . 1 A 49 GLU N . 25476 1 683 . 1 1 71 71 LYS H H 1 8.35 0.02 . 1 . . 1 A 50 LYS H . 25476 1 684 . 1 1 71 71 LYS HA H 1 4.46 0.02 . 1 . . 1 A 50 LYS HA . 25476 1 685 . 1 1 71 71 LYS HB3 H 1 2.04 0.02 . 1 . . 1 A 50 LYS HB3 . 25476 1 686 . 1 1 71 71 LYS HG2 H 1 1.42 0.02 . 2 . . 1 A 50 LYS HG2 . 25476 1 687 . 1 1 71 71 LYS HG3 H 1 1.28 0.02 . 2 . . 1 A 50 LYS HG3 . 25476 1 688 . 1 1 71 71 LYS HD2 H 1 1.62 0.02 . 2 . . 1 A 50 LYS HD2 . 25476 1 689 . 1 1 71 71 LYS HD3 H 1 1.72 0.02 . 2 . . 1 A 50 LYS HD3 . 25476 1 690 . 1 1 71 71 LYS HE2 H 1 3.03 0.02 . 2 . . 1 A 50 LYS HE2 . 25476 1 691 . 1 1 71 71 LYS HE3 H 1 2.96 0.02 . 2 . . 1 A 50 LYS HE3 . 25476 1 692 . 1 1 71 71 LYS C C 13 175.07 0.25 . 1 . . 1 A 50 LYS C . 25476 1 693 . 1 1 71 71 LYS CA C 13 54.67 0.25 . 1 . . 1 A 50 LYS CA . 25476 1 694 . 1 1 71 71 LYS CB C 13 33.17 0.25 . 1 . . 1 A 50 LYS CB . 25476 1 695 . 1 1 71 71 LYS CG C 13 25.25 0.25 . 1 . . 1 A 50 LYS CG . 25476 1 696 . 1 1 71 71 LYS CD C 13 28.77 0.25 . 1 . . 1 A 50 LYS CD . 25476 1 697 . 1 1 71 71 LYS CE C 13 41.88 0.25 . 1 . . 1 A 50 LYS CE . 25476 1 698 . 1 1 71 71 LYS N N 15 120.03 0.15 . 1 . . 1 A 50 LYS N . 25476 1 699 . 1 1 72 72 ARG H H 1 7.22 0.02 . 1 . . 1 A 51 ARG H . 25476 1 700 . 1 1 72 72 ARG HA H 1 4.30 0.02 . 1 . . 1 A 51 ARG HA . 25476 1 701 . 1 1 72 72 ARG HB2 H 1 1.84 0.02 . 1 . . 1 A 51 ARG HB2 . 25476 1 702 . 1 1 72 72 ARG HG2 H 1 1.48 0.02 . 1 . . 1 A 51 ARG HG2 . 25476 1 703 . 1 1 72 72 ARG C C 13 174.53 0.25 . 1 . . 1 A 51 ARG C . 25476 1 704 . 1 1 72 72 ARG CA C 13 56.69 0.25 . 1 . . 1 A 51 ARG CA . 25476 1 705 . 1 1 72 72 ARG CB C 13 32.00 0.25 . 1 . . 1 A 51 ARG CB . 25476 1 706 . 1 1 72 72 ARG N N 15 119.72 0.15 . 1 . . 1 A 51 ARG N . 25476 1 707 . 1 1 73 73 GLU H H 1 8.69 0.02 . 1 . . 1 A 52 GLU H . 25476 1 708 . 1 1 73 73 GLU HA H 1 4.69 0.02 . 1 . . 1 A 52 GLU HA . 25476 1 709 . 1 1 73 73 GLU HB2 H 1 1.84 0.02 . 1 . . 1 A 52 GLU HB2 . 25476 1 710 . 1 1 73 73 GLU HG2 H 1 2.19 0.02 . 1 . . 1 A 52 GLU HG2 . 25476 1 711 . 1 1 73 73 GLU C C 13 175.26 0.25 . 1 . . 1 A 52 GLU C . 25476 1 712 . 1 1 73 73 GLU CA C 13 54.73 0.25 . 1 . . 1 A 52 GLU CA . 25476 1 713 . 1 1 73 73 GLU CG C 13 36.90 0.25 . 1 . . 1 A 52 GLU CG . 25476 1 714 . 1 1 73 73 GLU N N 15 119.70 0.15 . 1 . . 1 A 52 GLU N . 25476 1 715 . 1 1 74 74 PHE H H 1 8.59 0.02 . 1 . . 1 A 53 PHE H . 25476 1 716 . 1 1 74 74 PHE HA H 1 5.16 0.02 . 1 . . 1 A 53 PHE HA . 25476 1 717 . 1 1 74 74 PHE HB2 H 1 2.63 0.02 . 2 . . 1 A 53 PHE HB2 . 25476 1 718 . 1 1 74 74 PHE HB3 H 1 2.79 0.02 . 2 . . 1 A 53 PHE HB3 . 25476 1 719 . 1 1 74 74 PHE HD1 H 1 6.93 0.02 . 3 . . 1 A 53 PHE HD1 . 25476 1 720 . 1 1 74 74 PHE HD2 H 1 6.93 0.02 . 3 . . 1 A 53 PHE HD2 . 25476 1 721 . 1 1 74 74 PHE C C 13 174.97 0.25 . 1 . . 1 A 53 PHE C . 25476 1 722 . 1 1 74 74 PHE CA C 13 56.96 0.25 . 1 . . 1 A 53 PHE CA . 25476 1 723 . 1 1 74 74 PHE CB C 13 44.21 0.25 . 1 . . 1 A 53 PHE CB . 25476 1 724 . 1 1 74 74 PHE N N 15 116.95 0.15 . 1 . . 1 A 53 PHE N . 25476 1 725 . 1 1 75 75 TRP H H 1 9.52 0.02 . 1 . . 1 A 54 TRP H . 25476 1 726 . 1 1 75 75 TRP HA H 1 5.90 0.02 . 1 . . 1 A 54 TRP HA . 25476 1 727 . 1 1 75 75 TRP HB2 H 1 3.38 0.02 . 2 . . 1 A 54 TRP HB2 . 25476 1 728 . 1 1 75 75 TRP HB3 H 1 3.25 0.02 . 2 . . 1 A 54 TRP HB3 . 25476 1 729 . 1 1 75 75 TRP HD1 H 1 6.96 0.02 . 1 . . 1 A 54 TRP HD1 . 25476 1 730 . 1 1 75 75 TRP HE1 H 1 10.73 0.02 . 1 . . 1 A 54 TRP HE1 . 25476 1 731 . 1 1 75 75 TRP HE3 H 1 7.71 0.02 . 1 . . 1 A 54 TRP HE3 . 25476 1 732 . 1 1 75 75 TRP HZ2 H 1 7.60 0.02 . 1 . . 1 A 54 TRP HZ2 . 25476 1 733 . 1 1 75 75 TRP HZ3 H 1 7.10 0.02 . 1 . . 1 A 54 TRP HZ3 . 25476 1 734 . 1 1 75 75 TRP HH2 H 1 7.34 0.02 . 1 . . 1 A 54 TRP HH2 . 25476 1 735 . 1 1 75 75 TRP C C 13 177.82 0.25 . 1 . . 1 A 54 TRP C . 25476 1 736 . 1 1 75 75 TRP CA C 13 56.24 0.25 . 1 . . 1 A 54 TRP CA . 25476 1 737 . 1 1 75 75 TRP CB C 13 31.87 0.25 . 1 . . 1 A 54 TRP CB . 25476 1 738 . 1 1 75 75 TRP CD1 C 13 126.89 0.25 . 1 . . 1 A 54 TRP CD1 . 25476 1 739 . 1 1 75 75 TRP CE3 C 13 121.08 0.25 . 1 . . 1 A 54 TRP CE3 . 25476 1 740 . 1 1 75 75 TRP CZ2 C 13 114.06 0.25 . 1 . . 1 A 54 TRP CZ2 . 25476 1 741 . 1 1 75 75 TRP CZ3 C 13 123.06 0.25 . 1 . . 1 A 54 TRP CZ3 . 25476 1 742 . 1 1 75 75 TRP CH2 C 13 124.29 0.25 . 1 . . 1 A 54 TRP CH2 . 25476 1 743 . 1 1 75 75 TRP N N 15 123.10 0.15 . 1 . . 1 A 54 TRP N . 25476 1 744 . 1 1 75 75 TRP NE1 N 15 130.16 0.15 . 1 . . 1 A 54 TRP NE1 . 25476 1 745 . 1 1 76 76 GLY H H 1 9.55 0.02 . 1 . . 1 A 55 GLY H . 25476 1 746 . 1 1 76 76 GLY HA2 H 1 4.16 0.02 . 2 . . 1 A 55 GLY HA2 . 25476 1 747 . 1 1 76 76 GLY HA3 H 1 5.45 0.02 . 2 . . 1 A 55 GLY HA3 . 25476 1 748 . 1 1 76 76 GLY CA C 13 47.24 0.25 . 1 . . 1 A 55 GLY CA . 25476 1 749 . 1 1 76 76 GLY N N 15 110.84 0.15 . 1 . . 1 A 55 GLY N . 25476 1 750 . 1 1 77 77 TRP HD1 H 1 6.72 0.02 . 1 . . 1 A 56 TRP HD1 . 25476 1 751 . 1 1 77 77 TRP HE1 H 1 10.10 0.02 . 1 . . 1 A 56 TRP HE1 . 25476 1 752 . 1 1 77 77 TRP HZ2 H 1 7.03 0.02 . 1 . . 1 A 56 TRP HZ2 . 25476 1 753 . 1 1 77 77 TRP CD1 C 13 127.96 0.25 . 1 . . 1 A 56 TRP CD1 . 25476 1 754 . 1 1 77 77 TRP CZ2 C 13 113.80 0.25 . 1 . . 1 A 56 TRP CZ2 . 25476 1 755 . 1 1 77 77 TRP NE1 N 15 130.55 0.15 . 1 . . 1 A 56 TRP NE1 . 25476 1 756 . 1 1 78 78 TRP HA H 1 5.21 0.02 . 1 . . 1 A 57 TRP HA . 25476 1 757 . 1 1 78 78 TRP HE1 H 1 10.01 0.02 . 1 . . 1 A 57 TRP HE1 . 25476 1 758 . 1 1 78 78 TRP HZ2 H 1 7.26 0.02 . 1 . . 1 A 57 TRP HZ2 . 25476 1 759 . 1 1 78 78 TRP HH2 H 1 6.94 0.02 . 1 . . 1 A 57 TRP HH2 . 25476 1 760 . 1 1 78 78 TRP CA C 13 57.70 0.25 . 1 . . 1 A 57 TRP CA . 25476 1 761 . 1 1 78 78 TRP CZ2 C 13 113.53 0.25 . 1 . . 1 A 57 TRP CZ2 . 25476 1 762 . 1 1 78 78 TRP CH2 C 13 123.55 0.25 . 1 . . 1 A 57 TRP CH2 . 25476 1 763 . 1 1 78 78 TRP NE1 N 15 128.03 0.15 . 1 . . 1 A 57 TRP NE1 . 25476 1 764 . 1 1 79 79 MET H H 1 9.68 0.02 . 1 . . 1 A 58 MET H . 25476 1 765 . 1 1 79 79 MET HA H 1 4.37 0.02 . 1 . . 1 A 58 MET HA . 25476 1 766 . 1 1 79 79 MET HB2 H 1 2.11 0.02 . 2 . . 1 A 58 MET HB2 . 25476 1 767 . 1 1 79 79 MET HB3 H 1 2.11 0.02 . 2 . . 1 A 58 MET HB3 . 25476 1 768 . 1 1 79 79 MET HG2 H 1 1.83 0.02 . 2 . . 1 A 58 MET HG2 . 25476 1 769 . 1 1 79 79 MET HG3 H 1 1.95 0.02 . 2 . . 1 A 58 MET HG3 . 25476 1 770 . 1 1 79 79 MET HE1 H 1 1.31 0.02 . 1 . . 1 A 58 MET HE1 . 25476 1 771 . 1 1 79 79 MET HE2 H 1 1.31 0.02 . 1 . . 1 A 58 MET HE2 . 25476 1 772 . 1 1 79 79 MET HE3 H 1 1.31 0.02 . 1 . . 1 A 58 MET HE3 . 25476 1 773 . 1 1 79 79 MET CA C 13 55.23 0.25 . 1 . . 1 A 58 MET CA . 25476 1 774 . 1 1 79 79 MET CB C 13 35.91 0.25 . 1 . . 1 A 58 MET CB . 25476 1 775 . 1 1 79 79 MET CG C 13 32.28 0.25 . 1 . . 1 A 58 MET CG . 25476 1 776 . 1 1 79 79 MET CE C 13 16.52 0.25 . 1 . . 1 A 58 MET CE . 25476 1 777 . 1 1 79 79 MET N N 15 122.63 0.15 . 1 . . 1 A 58 MET N . 25476 1 778 . 1 1 80 80 GLU HA H 1 5.43 0.02 . 1 . . 1 A 59 GLU HA . 25476 1 779 . 1 1 80 80 GLU C C 13 175.57 0.25 . 1 . . 1 A 59 GLU C . 25476 1 780 . 1 1 80 80 GLU CA C 13 54.26 0.25 . 1 . . 1 A 59 GLU CA . 25476 1 781 . 1 1 81 81 LEU H H 1 9.61 0.02 . 1 . . 1 A 60 LEU H . 25476 1 782 . 1 1 81 81 LEU HA H 1 6.06 0.02 . 1 . . 1 A 60 LEU HA . 25476 1 783 . 1 1 81 81 LEU HB2 H 1 1.87 0.02 . 2 . . 1 A 60 LEU HB2 . 25476 1 784 . 1 1 81 81 LEU HB3 H 1 2.23 0.02 . 2 . . 1 A 60 LEU HB3 . 25476 1 785 . 1 1 81 81 LEU HD11 H 1 1.92 0.02 . 2 . . 1 A 60 LEU HD11 . 25476 1 786 . 1 1 81 81 LEU HD12 H 1 1.92 0.02 . 2 . . 1 A 60 LEU HD12 . 25476 1 787 . 1 1 81 81 LEU HD13 H 1 1.92 0.02 . 2 . . 1 A 60 LEU HD13 . 25476 1 788 . 1 1 81 81 LEU HD21 H 1 0.81 0.02 . 2 . . 1 A 60 LEU HD21 . 25476 1 789 . 1 1 81 81 LEU HD22 H 1 0.81 0.02 . 2 . . 1 A 60 LEU HD22 . 25476 1 790 . 1 1 81 81 LEU HD23 H 1 0.81 0.02 . 2 . . 1 A 60 LEU HD23 . 25476 1 791 . 1 1 81 81 LEU C C 13 176.47 0.25 . 1 . . 1 A 60 LEU C . 25476 1 792 . 1 1 81 81 LEU CA C 13 52.61 0.25 . 1 . . 1 A 60 LEU CA . 25476 1 793 . 1 1 81 81 LEU CB C 13 47.48 0.25 . 1 . . 1 A 60 LEU CB . 25476 1 794 . 1 1 81 81 LEU CD1 C 13 28.60 0.25 . 2 . . 1 A 60 LEU CD1 . 25476 1 795 . 1 1 81 81 LEU CD2 C 13 26.18 0.25 . 2 . . 1 A 60 LEU CD2 . 25476 1 796 . 1 1 81 81 LEU N N 15 126.92 0.15 . 1 . . 1 A 60 LEU N . 25476 1 797 . 1 1 82 82 GLU H H 1 9.07 0.02 . 1 . . 1 A 61 GLU H . 25476 1 798 . 1 1 82 82 GLU HA H 1 5.18 0.02 . 1 . . 1 A 61 GLU HA . 25476 1 799 . 1 1 82 82 GLU HB2 H 1 1.90 0.02 . 2 . . 1 A 61 GLU HB2 . 25476 1 800 . 1 1 82 82 GLU HB3 H 1 2.24 0.02 . 2 . . 1 A 61 GLU HB3 . 25476 1 801 . 1 1 82 82 GLU HG2 H 1 2.23 0.02 . 2 . . 1 A 61 GLU HG2 . 25476 1 802 . 1 1 82 82 GLU HG3 H 1 2.03 0.02 . 2 . . 1 A 61 GLU HG3 . 25476 1 803 . 1 1 82 82 GLU C C 13 174.93 0.25 . 1 . . 1 A 61 GLU C . 25476 1 804 . 1 1 82 82 GLU CA C 13 55.05 0.25 . 1 . . 1 A 61 GLU CA . 25476 1 805 . 1 1 82 82 GLU CB C 13 32.20 0.25 . 1 . . 1 A 61 GLU CB . 25476 1 806 . 1 1 82 82 GLU CG C 13 37.23 0.25 . 1 . . 1 A 61 GLU CG . 25476 1 807 . 1 1 82 82 GLU N N 15 123.56 0.15 . 1 . . 1 A 61 GLU N . 25476 1 808 . 1 1 83 83 ALA H H 1 9.03 0.02 . 1 . . 1 A 62 ALA H . 25476 1 809 . 1 1 83 83 ALA HA H 1 3.12 0.02 . 1 . . 1 A 62 ALA HA . 25476 1 810 . 1 1 83 83 ALA HB1 H 1 1.46 0.02 . 1 . . 1 A 62 ALA HB1 . 25476 1 811 . 1 1 83 83 ALA HB2 H 1 1.46 0.02 . 1 . . 1 A 62 ALA HB2 . 25476 1 812 . 1 1 83 83 ALA HB3 H 1 1.46 0.02 . 1 . . 1 A 62 ALA HB3 . 25476 1 813 . 1 1 83 83 ALA C C 13 175.76 0.25 . 1 . . 1 A 62 ALA C . 25476 1 814 . 1 1 83 83 ALA CA C 13 52.68 0.25 . 1 . . 1 A 62 ALA CA . 25476 1 815 . 1 1 83 83 ALA CB C 13 21.33 0.25 . 1 . . 1 A 62 ALA CB . 25476 1 816 . 1 1 83 83 ALA N N 15 129.83 0.15 . 1 . . 1 A 62 ALA N . 25476 1 817 . 1 1 84 84 GLN H H 1 8.17 0.02 . 1 . . 1 A 63 GLN H . 25476 1 818 . 1 1 84 84 GLN HA H 1 4.75 0.02 . 1 . . 1 A 63 GLN HA . 25476 1 819 . 1 1 84 84 GLN HB2 H 1 2.14 0.02 . 1 . . 1 A 63 GLN HB2 . 25476 1 820 . 1 1 84 84 GLN HG2 H 1 2.33 0.02 . 2 . . 1 A 63 GLN HG2 . 25476 1 821 . 1 1 84 84 GLN HG3 H 1 2.41 0.02 . 2 . . 1 A 63 GLN HG3 . 25476 1 822 . 1 1 84 84 GLN HE21 H 1 6.94 0.02 . 1 . . 1 A 63 GLN HE21 . 25476 1 823 . 1 1 84 84 GLN HE22 H 1 7.50 0.02 . 1 . . 1 A 63 GLN HE22 . 25476 1 824 . 1 1 84 84 GLN C C 13 175.47 0.25 . 1 . . 1 A 63 GLN C . 25476 1 825 . 1 1 84 84 GLN CA C 13 53.94 0.25 . 1 . . 1 A 63 GLN CA . 25476 1 826 . 1 1 84 84 GLN CB C 13 29.65 0.25 . 1 . . 1 A 63 GLN CB . 25476 1 827 . 1 1 84 84 GLN CG C 13 33.36 0.25 . 1 . . 1 A 63 GLN CG . 25476 1 828 . 1 1 84 84 GLN N N 15 122.55 0.15 . 1 . . 1 A 63 GLN N . 25476 1 829 . 1 1 84 84 GLN NE2 N 15 113.25 0.15 . 1 . . 1 A 63 GLN NE2 . 25476 1 830 . 1 1 85 85 GLU H H 1 8.73 0.02 . 1 . . 1 A 64 GLU H . 25476 1 831 . 1 1 85 85 GLU HA H 1 3.55 0.02 . 1 . . 1 A 64 GLU HA . 25476 1 832 . 1 1 85 85 GLU HB2 H 1 2.09 0.02 . 2 . . 1 A 64 GLU HB2 . 25476 1 833 . 1 1 85 85 GLU HB3 H 1 2.03 0.02 . 2 . . 1 A 64 GLU HB3 . 25476 1 834 . 1 1 85 85 GLU HG2 H 1 2.33 0.02 . 2 . . 1 A 64 GLU HG2 . 25476 1 835 . 1 1 85 85 GLU HG3 H 1 2.24 0.02 . 2 . . 1 A 64 GLU HG3 . 25476 1 836 . 1 1 85 85 GLU C C 13 176.74 0.25 . 1 . . 1 A 64 GLU C . 25476 1 837 . 1 1 85 85 GLU CA C 13 61.34 0.25 . 1 . . 1 A 64 GLU CA . 25476 1 838 . 1 1 85 85 GLU CB C 13 29.62 0.25 . 1 . . 1 A 64 GLU CB . 25476 1 839 . 1 1 85 85 GLU CG C 13 36.68 0.25 . 1 . . 1 A 64 GLU CG . 25476 1 840 . 1 1 85 85 GLU N N 15 120.76 0.15 . 1 . . 1 A 64 GLU N . 25476 1 841 . 1 1 86 86 LYS H H 1 8.75 0.02 . 1 . . 1 A 65 LYS H . 25476 1 842 . 1 1 86 86 LYS HA H 1 4.63 0.02 . 1 . . 1 A 65 LYS HA . 25476 1 843 . 1 1 86 86 LYS HB2 H 1 1.71 0.02 . 2 . . 1 A 65 LYS HB2 . 25476 1 844 . 1 1 86 86 LYS HB3 H 1 2.19 0.02 . 2 . . 1 A 65 LYS HB3 . 25476 1 845 . 1 1 86 86 LYS HG2 H 1 1.42 0.02 . 2 . . 1 A 65 LYS HG2 . 25476 1 846 . 1 1 86 86 LYS HG3 H 1 1.43 0.02 . 2 . . 1 A 65 LYS HG3 . 25476 1 847 . 1 1 86 86 LYS HD2 H 1 1.73 0.02 . 2 . . 1 A 65 LYS HD2 . 25476 1 848 . 1 1 86 86 LYS HD3 H 1 1.78 0.02 . 2 . . 1 A 65 LYS HD3 . 25476 1 849 . 1 1 86 86 LYS HE2 H 1 3.03 0.02 . 2 . . 1 A 65 LYS HE2 . 25476 1 850 . 1 1 86 86 LYS HE3 H 1 2.96 0.02 . 2 . . 1 A 65 LYS HE3 . 25476 1 851 . 1 1 86 86 LYS C C 13 175.96 0.25 . 1 . . 1 A 65 LYS C . 25476 1 852 . 1 1 86 86 LYS CA C 13 54.79 0.25 . 1 . . 1 A 65 LYS CA . 25476 1 853 . 1 1 86 86 LYS CB C 13 33.30 0.25 . 1 . . 1 A 65 LYS CB . 25476 1 854 . 1 1 86 86 LYS CG C 13 25.13 0.25 . 1 . . 1 A 65 LYS CG . 25476 1 855 . 1 1 86 86 LYS CD C 13 28.70 0.25 . 1 . . 1 A 65 LYS CD . 25476 1 856 . 1 1 86 86 LYS CE C 13 41.75 0.25 . 1 . . 1 A 65 LYS CE . 25476 1 857 . 1 1 86 86 LYS N N 15 112.82 0.15 . 1 . . 1 A 65 LYS N . 25476 1 858 . 1 1 87 87 ARG H H 1 7.52 0.02 . 1 . . 1 A 66 ARG H . 25476 1 859 . 1 1 87 87 ARG HA H 1 5.30 0.02 . 1 . . 1 A 66 ARG HA . 25476 1 860 . 1 1 87 87 ARG HB2 H 1 2.17 0.02 . 2 . . 1 A 66 ARG HB2 . 25476 1 861 . 1 1 87 87 ARG HB3 H 1 1.73 0.02 . 2 . . 1 A 66 ARG HB3 . 25476 1 862 . 1 1 87 87 ARG HG2 H 1 1.97 0.02 . 2 . . 1 A 66 ARG HG2 . 25476 1 863 . 1 1 87 87 ARG HG3 H 1 1.49 0.02 . 2 . . 1 A 66 ARG HG3 . 25476 1 864 . 1 1 87 87 ARG HD2 H 1 3.01 0.02 . 1 . . 1 A 66 ARG HD2 . 25476 1 865 . 1 1 87 87 ARG C C 13 172.98 0.25 . 1 . . 1 A 66 ARG C . 25476 1 866 . 1 1 87 87 ARG CA C 13 53.53 0.25 . 1 . . 1 A 66 ARG CA . 25476 1 867 . 1 1 87 87 ARG CB C 13 33.00 0.25 . 1 . . 1 A 66 ARG CB . 25476 1 868 . 1 1 87 87 ARG N N 15 115.10 0.15 . 1 . . 1 A 66 ARG N . 25476 1 869 . 1 1 88 88 PHE H H 1 9.22 0.02 . 1 . . 1 A 67 PHE H . 25476 1 870 . 1 1 88 88 PHE HA H 1 5.74 0.02 . 1 . . 1 A 67 PHE HA . 25476 1 871 . 1 1 88 88 PHE HB2 H 1 3.10 0.02 . 2 . . 1 A 67 PHE HB2 . 25476 1 872 . 1 1 88 88 PHE HB3 H 1 2.81 0.02 . 2 . . 1 A 67 PHE HB3 . 25476 1 873 . 1 1 88 88 PHE HD1 H 1 7.33 0.02 . 3 . . 1 A 67 PHE HD1 . 25476 1 874 . 1 1 88 88 PHE HD2 H 1 7.33 0.02 . 3 . . 1 A 67 PHE HD2 . 25476 1 875 . 1 1 88 88 PHE HE1 H 1 7.28 0.02 . 3 . . 1 A 67 PHE HE1 . 25476 1 876 . 1 1 88 88 PHE HE2 H 1 7.28 0.02 . 3 . . 1 A 67 PHE HE2 . 25476 1 877 . 1 1 88 88 PHE HZ H 1 7.11 0.02 . 1 . . 1 A 67 PHE HZ . 25476 1 878 . 1 1 88 88 PHE C C 13 176.04 0.25 . 1 . . 1 A 67 PHE C . 25476 1 879 . 1 1 88 88 PHE CA C 13 56.12 0.25 . 1 . . 1 A 67 PHE CA . 25476 1 880 . 1 1 88 88 PHE CB C 13 41.95 0.25 . 1 . . 1 A 67 PHE CB . 25476 1 881 . 1 1 88 88 PHE N N 15 119.96 0.15 . 1 . . 1 A 67 PHE N . 25476 1 882 . 1 1 89 89 THR H H 1 9.20 0.02 . 1 . . 1 A 68 THR H . 25476 1 883 . 1 1 89 89 THR HA H 1 6.31 0.02 . 1 . . 1 A 68 THR HA . 25476 1 884 . 1 1 89 89 THR HB H 1 3.99 0.02 . 1 . . 1 A 68 THR HB . 25476 1 885 . 1 1 89 89 THR HG21 H 1 0.96 0.02 . 1 . . 1 A 68 THR HG21 . 25476 1 886 . 1 1 89 89 THR HG22 H 1 0.96 0.02 . 1 . . 1 A 68 THR HG22 . 25476 1 887 . 1 1 89 89 THR HG23 H 1 0.96 0.02 . 1 . . 1 A 68 THR HG23 . 25476 1 888 . 1 1 89 89 THR C C 13 175.34 0.25 . 1 . . 1 A 68 THR C . 25476 1 889 . 1 1 89 89 THR CA C 13 57.99 0.25 . 1 . . 1 A 68 THR CA . 25476 1 890 . 1 1 89 89 THR CB C 13 70.26 0.25 . 1 . . 1 A 68 THR CB . 25476 1 891 . 1 1 89 89 THR CG2 C 13 21.20 0.25 . 1 . . 1 A 68 THR CG2 . 25476 1 892 . 1 1 89 89 THR N N 15 111.03 0.15 . 1 . . 1 A 68 THR N . 25476 1 893 . 1 1 90 90 TYR H H 1 8.19 0.02 . 1 . . 1 A 69 TYR H . 25476 1 894 . 1 1 90 90 TYR HA H 1 6.09 0.02 . 1 . . 1 A 69 TYR HA . 25476 1 895 . 1 1 90 90 TYR HB2 H 1 2.62 0.02 . 2 . . 1 A 69 TYR HB2 . 25476 1 896 . 1 1 90 90 TYR HB3 H 1 2.95 0.02 . 2 . . 1 A 69 TYR HB3 . 25476 1 897 . 1 1 90 90 TYR HD1 H 1 6.61 0.02 . 3 . . 1 A 69 TYR HD1 . 25476 1 898 . 1 1 90 90 TYR HD2 H 1 6.61 0.02 . 3 . . 1 A 69 TYR HD2 . 25476 1 899 . 1 1 90 90 TYR C C 13 173.31 0.25 . 1 . . 1 A 69 TYR C . 25476 1 900 . 1 1 90 90 TYR CA C 13 55.50 0.25 . 1 . . 1 A 69 TYR CA . 25476 1 901 . 1 1 90 90 TYR CB C 13 44.60 0.25 . 1 . . 1 A 69 TYR CB . 25476 1 902 . 1 1 90 90 TYR N N 15 115.70 0.15 . 1 . . 1 A 69 TYR N . 25476 1 903 . 1 1 91 91 ARG H H 1 8.16 0.02 . 1 . . 1 A 70 ARG H . 25476 1 904 . 1 1 91 91 ARG HA H 1 5.51 0.02 . 1 . . 1 A 70 ARG HA . 25476 1 905 . 1 1 91 91 ARG HB2 H 1 2.06 0.02 . 2 . . 1 A 70 ARG HB2 . 25476 1 906 . 1 1 91 91 ARG HB3 H 1 1.94 0.02 . 2 . . 1 A 70 ARG HB3 . 25476 1 907 . 1 1 91 91 ARG HG2 H 1 1.58 0.02 . 2 . . 1 A 70 ARG HG2 . 25476 1 908 . 1 1 91 91 ARG HG3 H 1 1.77 0.02 . 2 . . 1 A 70 ARG HG3 . 25476 1 909 . 1 1 91 91 ARG HD2 H 1 3.26 0.02 . 2 . . 1 A 70 ARG HD2 . 25476 1 910 . 1 1 91 91 ARG HD3 H 1 3.33 0.02 . 2 . . 1 A 70 ARG HD3 . 25476 1 911 . 1 1 91 91 ARG HE H 1 7.50 0.02 . 1 . . 1 A 70 ARG HE . 25476 1 912 . 1 1 91 91 ARG C C 13 175.22 0.25 . 1 . . 1 A 70 ARG C . 25476 1 913 . 1 1 91 91 ARG CA C 13 55.15 0.25 . 1 . . 1 A 70 ARG CA . 25476 1 914 . 1 1 91 91 ARG CB C 13 32.78 0.25 . 1 . . 1 A 70 ARG CB . 25476 1 915 . 1 1 91 91 ARG CG C 13 28.15 0.25 . 1 . . 1 A 70 ARG CG . 25476 1 916 . 1 1 91 91 ARG CD C 13 43.23 0.25 . 1 . . 1 A 70 ARG CD . 25476 1 917 . 1 1 91 91 ARG N N 15 115.07 0.15 . 1 . . 1 A 70 ARG N . 25476 1 918 . 1 1 91 91 ARG NE N 15 85.02 0.15 . 1 . . 1 A 70 ARG NE . 25476 1 919 . 1 1 92 92 TYR H H 1 9.22 0.02 . 1 . . 1 A 71 TYR H . 25476 1 920 . 1 1 92 92 TYR HD1 H 1 7.41 0.02 . 3 . . 1 A 71 TYR HD1 . 25476 1 921 . 1 1 92 92 TYR HD2 H 1 7.41 0.02 . 3 . . 1 A 71 TYR HD2 . 25476 1 922 . 1 1 92 92 TYR CA C 13 56.12 0.25 . 1 . . 1 A 71 TYR CA . 25476 1 923 . 1 1 92 92 TYR N N 15 118.75 0.15 . 1 . . 1 A 71 TYR N . 25476 1 924 . 1 1 93 93 GLN HA H 1 4.42 0.02 . 1 . . 1 A 72 GLN HA . 25476 1 925 . 1 1 93 93 GLN HB2 H 1 1.70 0.02 . 1 . . 1 A 72 GLN HB2 . 25476 1 926 . 1 1 93 93 GLN HG2 H 1 1.92 0.02 . 2 . . 1 A 72 GLN HG2 . 25476 1 927 . 1 1 93 93 GLN HG3 H 1 2.04 0.02 . 2 . . 1 A 72 GLN HG3 . 25476 1 928 . 1 1 93 93 GLN HE21 H 1 6.33 0.02 . 1 . . 1 A 72 GLN HE21 . 25476 1 929 . 1 1 93 93 GLN HE22 H 1 7.02 0.02 . 1 . . 1 A 72 GLN HE22 . 25476 1 930 . 1 1 93 93 GLN CA C 13 54.85 0.25 . 1 . . 1 A 72 GLN CA . 25476 1 931 . 1 1 93 93 GLN CB C 13 30.99 0.25 . 1 . . 1 A 72 GLN CB . 25476 1 932 . 1 1 93 93 GLN CG C 13 34.68 0.25 . 1 . . 1 A 72 GLN CG . 25476 1 933 . 1 1 93 93 GLN NE2 N 15 111.22 0.15 . 1 . . 1 A 72 GLN NE2 . 25476 1 934 . 1 1 94 94 PHE HA H 1 5.83 0.02 . 1 . . 1 A 73 PHE HA . 25476 1 935 . 1 1 94 94 PHE HB2 H 1 3.41 0.02 . 2 . . 1 A 73 PHE HB2 . 25476 1 936 . 1 1 94 94 PHE HB3 H 1 3.35 0.02 . 2 . . 1 A 73 PHE HB3 . 25476 1 937 . 1 1 94 94 PHE HD1 H 1 7.51 0.02 . 3 . . 1 A 73 PHE HD1 . 25476 1 938 . 1 1 94 94 PHE HD2 H 1 7.51 0.02 . 3 . . 1 A 73 PHE HD2 . 25476 1 939 . 1 1 94 94 PHE HE1 H 1 7.12 0.02 . 3 . . 1 A 73 PHE HE1 . 25476 1 940 . 1 1 94 94 PHE HE2 H 1 7.12 0.02 . 3 . . 1 A 73 PHE HE2 . 25476 1 941 . 1 1 94 94 PHE HZ H 1 6.73 0.02 . 1 . . 1 A 73 PHE HZ . 25476 1 942 . 1 1 94 94 PHE C C 13 177.28 0.25 . 1 . . 1 A 73 PHE C . 25476 1 943 . 1 1 94 94 PHE CA C 13 53.68 0.25 . 1 . . 1 A 73 PHE CA . 25476 1 944 . 1 1 94 94 PHE CB C 13 39.80 0.25 . 1 . . 1 A 73 PHE CB . 25476 1 945 . 1 1 95 95 GLY H H 1 9.35 0.02 . 1 . . 1 A 74 GLY H . 25476 1 946 . 1 1 95 95 GLY HA2 H 1 4.65 0.02 . 2 . . 1 A 74 GLY HA2 . 25476 1 947 . 1 1 95 95 GLY CA C 13 47.48 0.25 . 1 . . 1 A 74 GLY CA . 25476 1 948 . 1 1 95 95 GLY N N 15 108.52 0.15 . 1 . . 1 A 74 GLY N . 25476 1 949 . 1 1 96 96 LEU HA H 1 5.37 0.02 . 1 . . 1 A 75 LEU HA . 25476 1 950 . 1 1 96 96 LEU HB2 H 1 1.74 0.02 . 1 . . 1 A 75 LEU HB2 . 25476 1 951 . 1 1 96 96 LEU HG H 1 0.98 0.02 . 1 . . 1 A 75 LEU HG . 25476 1 952 . 1 1 96 96 LEU HD11 H 1 0.61 0.02 . 2 . . 1 A 75 LEU HD11 . 25476 1 953 . 1 1 96 96 LEU HD12 H 1 0.61 0.02 . 2 . . 1 A 75 LEU HD12 . 25476 1 954 . 1 1 96 96 LEU HD13 H 1 0.61 0.02 . 2 . . 1 A 75 LEU HD13 . 25476 1 955 . 1 1 96 96 LEU HD21 H 1 0.12 0.02 . 2 . . 1 A 75 LEU HD21 . 25476 1 956 . 1 1 96 96 LEU HD22 H 1 0.12 0.02 . 2 . . 1 A 75 LEU HD22 . 25476 1 957 . 1 1 96 96 LEU HD23 H 1 0.12 0.02 . 2 . . 1 A 75 LEU HD23 . 25476 1 958 . 1 1 96 96 LEU C C 13 174.27 0.25 . 1 . . 1 A 75 LEU C . 25476 1 959 . 1 1 96 96 LEU CA C 13 53.79 0.25 . 1 . . 1 A 75 LEU CA . 25476 1 960 . 1 1 96 96 LEU CB C 13 46.86 0.25 . 1 . . 1 A 75 LEU CB . 25476 1 961 . 1 1 96 96 LEU CG C 13 27.07 0.25 . 1 . . 1 A 75 LEU CG . 25476 1 962 . 1 1 96 96 LEU CD1 C 13 25.41 0.25 . 2 . . 1 A 75 LEU CD1 . 25476 1 963 . 1 1 96 96 LEU CD2 C 13 24.35 0.25 . 2 . . 1 A 75 LEU CD2 . 25476 1 964 . 1 1 97 97 PHE H H 1 9.84 0.02 . 1 . . 1 A 76 PHE H . 25476 1 965 . 1 1 97 97 PHE HA H 1 4.34 0.02 . 1 . . 1 A 76 PHE HA . 25476 1 966 . 1 1 97 97 PHE HB3 H 1 2.60 0.02 . 1 . . 1 A 76 PHE HB3 . 25476 1 967 . 1 1 97 97 PHE HD1 H 1 5.71 0.02 . 3 . . 1 A 76 PHE HD1 . 25476 1 968 . 1 1 97 97 PHE HD2 H 1 5.71 0.02 . 3 . . 1 A 76 PHE HD2 . 25476 1 969 . 1 1 97 97 PHE HE1 H 1 6.84 0.02 . 3 . . 1 A 76 PHE HE1 . 25476 1 970 . 1 1 97 97 PHE HE2 H 1 6.84 0.02 . 3 . . 1 A 76 PHE HE2 . 25476 1 971 . 1 1 97 97 PHE C C 13 174.69 0.25 . 1 . . 1 A 76 PHE C . 25476 1 972 . 1 1 97 97 PHE CA C 13 56.90 0.25 . 1 . . 1 A 76 PHE CA . 25476 1 973 . 1 1 97 97 PHE N N 15 135.23 0.15 . 1 . . 1 A 76 PHE N . 25476 1 974 . 1 1 98 98 ASP H H 1 7.94 0.02 . 1 . . 1 A 77 ASP H . 25476 1 975 . 1 1 98 98 ASP HA H 1 4.33 0.02 . 1 . . 1 A 77 ASP HA . 25476 1 976 . 1 1 98 98 ASP HB2 H 1 2.42 0.02 . 2 . . 1 A 77 ASP HB2 . 25476 1 977 . 1 1 98 98 ASP HB3 H 1 3.21 0.02 . 2 . . 1 A 77 ASP HB3 . 25476 1 978 . 1 1 98 98 ASP C C 13 178.31 0.25 . 1 . . 1 A 77 ASP C . 25476 1 979 . 1 1 98 98 ASP CA C 13 52.75 0.25 . 1 . . 1 A 77 ASP CA . 25476 1 980 . 1 1 98 98 ASP CB C 13 42.46 0.25 . 1 . . 1 A 77 ASP CB . 25476 1 981 . 1 1 98 98 ASP N N 15 125.58 0.15 . 1 . . 1 A 77 ASP N . 25476 1 982 . 1 1 99 99 LYS H H 1 9.03 0.02 . 1 . . 1 A 78 LYS H . 25476 1 983 . 1 1 99 99 LYS HA H 1 4.09 0.02 . 1 . . 1 A 78 LYS HA . 25476 1 984 . 1 1 99 99 LYS HB3 H 1 1.63 0.02 . 1 . . 1 A 78 LYS HB3 . 25476 1 985 . 1 1 99 99 LYS HG2 H 1 1.41 0.02 . 2 . . 1 A 78 LYS HG2 . 25476 1 986 . 1 1 99 99 LYS HG3 H 1 1.22 0.02 . 2 . . 1 A 78 LYS HG3 . 25476 1 987 . 1 1 99 99 LYS HD3 H 1 1.61 0.02 . 1 . . 1 A 78 LYS HD3 . 25476 1 988 . 1 1 99 99 LYS HE2 H 1 2.99 0.02 . 2 . . 1 A 78 LYS HE2 . 25476 1 989 . 1 1 99 99 LYS HE3 H 1 3.00 0.02 . 2 . . 1 A 78 LYS HE3 . 25476 1 990 . 1 1 99 99 LYS C C 13 176.91 0.25 . 1 . . 1 A 78 LYS C . 25476 1 991 . 1 1 99 99 LYS CA C 13 57.58 0.25 . 1 . . 1 A 78 LYS CA . 25476 1 992 . 1 1 99 99 LYS CB C 13 31.03 0.25 . 1 . . 1 A 78 LYS CB . 25476 1 993 . 1 1 99 99 LYS CG C 13 23.28 0.25 . 1 . . 1 A 78 LYS CG . 25476 1 994 . 1 1 99 99 LYS CD C 13 29.33 0.25 . 1 . . 1 A 78 LYS CD . 25476 1 995 . 1 1 99 99 LYS CE C 13 41.32 0.25 . 1 . . 1 A 78 LYS CE . 25476 1 996 . 1 1 99 99 LYS N N 15 116.61 0.15 . 1 . . 1 A 78 LYS N . 25476 1 997 . 1 1 100 100 GLU H H 1 7.85 0.02 . 1 . . 1 A 79 GLU H . 25476 1 998 . 1 1 100 100 GLU HA H 1 4.26 0.02 . 1 . . 1 A 79 GLU HA . 25476 1 999 . 1 1 100 100 GLU HB2 H 1 1.80 0.02 . 2 . . 1 A 79 GLU HB2 . 25476 1 1000 . 1 1 100 100 GLU HB3 H 1 1.76 0.02 . 2 . . 1 A 79 GLU HB3 . 25476 1 1001 . 1 1 100 100 GLU HG2 H 1 2.06 0.02 . 2 . . 1 A 79 GLU HG2 . 25476 1 1002 . 1 1 100 100 GLU HG3 H 1 2.12 0.02 . 2 . . 1 A 79 GLU HG3 . 25476 1 1003 . 1 1 100 100 GLU C C 13 176.16 0.25 . 1 . . 1 A 79 GLU C . 25476 1 1004 . 1 1 100 100 GLU CA C 13 55.33 0.25 . 1 . . 1 A 79 GLU CA . 25476 1 1005 . 1 1 100 100 GLU CB C 13 29.42 0.25 . 1 . . 1 A 79 GLU CB . 25476 1 1006 . 1 1 100 100 GLU CG C 13 36.66 0.25 . 1 . . 1 A 79 GLU CG . 25476 1 1007 . 1 1 100 100 GLU N N 15 120.51 0.15 . 1 . . 1 A 79 GLU N . 25476 1 1008 . 1 1 101 101 GLY H H 1 7.80 0.02 . 1 . . 1 A 80 GLY H . 25476 1 1009 . 1 1 101 101 GLY HA2 H 1 3.54 0.02 . 2 . . 1 A 80 GLY HA2 . 25476 1 1010 . 1 1 101 101 GLY HA3 H 1 2.58 0.02 . 2 . . 1 A 80 GLY HA3 . 25476 1 1011 . 1 1 101 101 GLY C C 13 172.82 0.25 . 1 . . 1 A 80 GLY C . 25476 1 1012 . 1 1 101 101 GLY CA C 13 45.38 0.25 . 1 . . 1 A 80 GLY CA . 25476 1 1013 . 1 1 101 101 GLY N N 15 109.61 0.15 . 1 . . 1 A 80 GLY N . 25476 1 1014 . 1 1 102 102 ASN H H 1 7.56 0.02 . 1 . . 1 A 81 ASN H . 25476 1 1015 . 1 1 102 102 ASN HA H 1 4.71 0.02 . 1 . . 1 A 81 ASN HA . 25476 1 1016 . 1 1 102 102 ASN HB2 H 1 2.35 0.02 . 2 . . 1 A 81 ASN HB2 . 25476 1 1017 . 1 1 102 102 ASN HB3 H 1 2.62 0.02 . 2 . . 1 A 81 ASN HB3 . 25476 1 1018 . 1 1 102 102 ASN HD21 H 1 6.85 0.02 . 1 . . 1 A 81 ASN HD21 . 25476 1 1019 . 1 1 102 102 ASN HD22 H 1 8.07 0.02 . 1 . . 1 A 81 ASN HD22 . 25476 1 1020 . 1 1 102 102 ASN C C 13 174.11 0.25 . 1 . . 1 A 81 ASN C . 25476 1 1021 . 1 1 102 102 ASN CA C 13 51.16 0.25 . 1 . . 1 A 81 ASN CA . 25476 1 1022 . 1 1 102 102 ASN CB C 13 40.16 0.25 . 1 . . 1 A 81 ASN CB . 25476 1 1023 . 1 1 102 102 ASN N N 15 117.68 0.15 . 1 . . 1 A 81 ASN N . 25476 1 1024 . 1 1 102 102 ASN ND2 N 15 118.16 0.15 . 1 . . 1 A 81 ASN ND2 . 25476 1 1025 . 1 1 103 103 TRP H H 1 8.48 0.02 . 1 . . 1 A 82 TRP H . 25476 1 1026 . 1 1 103 103 TRP HA H 1 5.15 0.02 . 1 . . 1 A 82 TRP HA . 25476 1 1027 . 1 1 103 103 TRP HE1 H 1 11.60 0.02 . 1 . . 1 A 82 TRP HE1 . 25476 1 1028 . 1 1 103 103 TRP HZ3 H 1 7.00 0.02 . 1 . . 1 A 82 TRP HZ3 . 25476 1 1029 . 1 1 103 103 TRP HH2 H 1 7.73 0.02 . 1 . . 1 A 82 TRP HH2 . 25476 1 1030 . 1 1 103 103 TRP C C 13 177.48 0.25 . 1 . . 1 A 82 TRP C . 25476 1 1031 . 1 1 103 103 TRP CA C 13 57.26 0.25 . 1 . . 1 A 82 TRP CA . 25476 1 1032 . 1 1 103 103 TRP N N 15 122.87 0.15 . 1 . . 1 A 82 TRP N . 25476 1 1033 . 1 1 103 103 TRP NE1 N 15 132.21 0.15 . 1 . . 1 A 82 TRP NE1 . 25476 1 1034 . 1 1 104 104 THR H H 1 9.28 0.02 . 1 . . 1 A 83 THR H . 25476 1 1035 . 1 1 104 104 THR HA H 1 4.82 0.02 . 1 . . 1 A 83 THR HA . 25476 1 1036 . 1 1 104 104 THR HB H 1 4.13 0.02 . 1 . . 1 A 83 THR HB . 25476 1 1037 . 1 1 104 104 THR HG21 H 1 1.23 0.02 . 1 . . 1 A 83 THR HG21 . 25476 1 1038 . 1 1 104 104 THR HG22 H 1 1.23 0.02 . 1 . . 1 A 83 THR HG22 . 25476 1 1039 . 1 1 104 104 THR HG23 H 1 1.23 0.02 . 1 . . 1 A 83 THR HG23 . 25476 1 1040 . 1 1 104 104 THR C C 13 173.63 0.25 . 1 . . 1 A 83 THR C . 25476 1 1041 . 1 1 104 104 THR CA C 13 60.47 0.25 . 1 . . 1 A 83 THR CA . 25476 1 1042 . 1 1 104 104 THR CB C 13 72.05 0.25 . 1 . . 1 A 83 THR CB . 25476 1 1043 . 1 1 104 104 THR CG2 C 13 21.83 0.25 . 1 . . 1 A 83 THR CG2 . 25476 1 1044 . 1 1 104 104 THR N N 15 118.05 0.15 . 1 . . 1 A 83 THR N . 25476 1 1045 . 1 1 105 105 VAL H H 1 9.10 0.02 . 1 . . 1 A 84 VAL H . 25476 1 1046 . 1 1 105 105 VAL HA H 1 4.53 0.02 . 1 . . 1 A 84 VAL HA . 25476 1 1047 . 1 1 105 105 VAL HB H 1 2.29 0.02 . 1 . . 1 A 84 VAL HB . 25476 1 1048 . 1 1 105 105 VAL HG11 H 1 1.35 0.02 . 2 . . 1 A 84 VAL HG11 . 25476 1 1049 . 1 1 105 105 VAL HG12 H 1 1.35 0.02 . 2 . . 1 A 84 VAL HG12 . 25476 1 1050 . 1 1 105 105 VAL HG13 H 1 1.35 0.02 . 2 . . 1 A 84 VAL HG13 . 25476 1 1051 . 1 1 105 105 VAL HG21 H 1 1.16 0.02 . 2 . . 1 A 84 VAL HG21 . 25476 1 1052 . 1 1 105 105 VAL HG22 H 1 1.16 0.02 . 2 . . 1 A 84 VAL HG22 . 25476 1 1053 . 1 1 105 105 VAL HG23 H 1 1.16 0.02 . 2 . . 1 A 84 VAL HG23 . 25476 1 1054 . 1 1 105 105 VAL C C 13 175.44 0.25 . 1 . . 1 A 84 VAL C . 25476 1 1055 . 1 1 105 105 VAL CA C 13 64.28 0.25 . 1 . . 1 A 84 VAL CA . 25476 1 1056 . 1 1 105 105 VAL CB C 13 31.63 0.25 . 1 . . 1 A 84 VAL CB . 25476 1 1057 . 1 1 105 105 VAL CG1 C 13 22.01 0.25 . 2 . . 1 A 84 VAL CG1 . 25476 1 1058 . 1 1 105 105 VAL CG2 C 13 21.30 0.25 . 2 . . 1 A 84 VAL CG2 . 25476 1 1059 . 1 1 105 105 VAL N N 15 125.99 0.15 . 1 . . 1 A 84 VAL N . 25476 1 1060 . 1 1 106 106 VAL H H 1 7.43 0.02 . 1 . . 1 A 85 VAL H . 25476 1 1061 . 1 1 106 106 VAL HA H 1 4.97 0.02 . 1 . . 1 A 85 VAL HA . 25476 1 1062 . 1 1 106 106 VAL HB H 1 2.40 0.02 . 1 . . 1 A 85 VAL HB . 25476 1 1063 . 1 1 106 106 VAL HG11 H 1 1.17 0.02 . 2 . . 1 A 85 VAL HG11 . 25476 1 1064 . 1 1 106 106 VAL HG12 H 1 1.17 0.02 . 2 . . 1 A 85 VAL HG12 . 25476 1 1065 . 1 1 106 106 VAL HG13 H 1 1.17 0.02 . 2 . . 1 A 85 VAL HG13 . 25476 1 1066 . 1 1 106 106 VAL HG21 H 1 1.22 0.02 . 2 . . 1 A 85 VAL HG21 . 25476 1 1067 . 1 1 106 106 VAL HG22 H 1 1.22 0.02 . 2 . . 1 A 85 VAL HG22 . 25476 1 1068 . 1 1 106 106 VAL HG23 H 1 1.22 0.02 . 2 . . 1 A 85 VAL HG23 . 25476 1 1069 . 1 1 106 106 VAL CA C 13 58.05 0.25 . 1 . . 1 A 85 VAL CA . 25476 1 1070 . 1 1 106 106 VAL CB C 13 35.19 0.25 . 1 . . 1 A 85 VAL CB . 25476 1 1071 . 1 1 106 106 VAL CG1 C 13 20.57 0.25 . 2 . . 1 A 85 VAL CG1 . 25476 1 1072 . 1 1 106 106 VAL CG2 C 13 21.91 0.25 . 2 . . 1 A 85 VAL CG2 . 25476 1 1073 . 1 1 106 106 VAL N N 15 124.64 0.15 . 1 . . 1 A 85 VAL N . 25476 1 1074 . 1 1 107 107 PRO HA H 1 4.48 0.02 . 1 . . 1 A 86 PRO HA . 25476 1 1075 . 1 1 107 107 PRO HB2 H 1 1.90 0.02 . 2 . . 1 A 86 PRO HB2 . 25476 1 1076 . 1 1 107 107 PRO HB3 H 1 2.36 0.02 . 2 . . 1 A 86 PRO HB3 . 25476 1 1077 . 1 1 107 107 PRO HG2 H 1 2.06 0.02 . 2 . . 1 A 86 PRO HG2 . 25476 1 1078 . 1 1 107 107 PRO HG3 H 1 2.20 0.02 . 2 . . 1 A 86 PRO HG3 . 25476 1 1079 . 1 1 107 107 PRO HD2 H 1 3.84 0.02 . 2 . . 1 A 86 PRO HD2 . 25476 1 1080 . 1 1 107 107 PRO HD3 H 1 3.95 0.02 . 2 . . 1 A 86 PRO HD3 . 25476 1 1081 . 1 1 107 107 PRO C C 13 175.97 0.25 . 1 . . 1 A 86 PRO C . 25476 1 1082 . 1 1 107 107 PRO CA C 13 62.92 0.25 . 1 . . 1 A 86 PRO CA . 25476 1 1083 . 1 1 107 107 PRO CB C 13 31.93 0.25 . 1 . . 1 A 86 PRO CB . 25476 1 1084 . 1 1 107 107 PRO CG C 13 27.67 0.25 . 1 . . 1 A 86 PRO CG . 25476 1 1085 . 1 1 107 107 PRO CD C 13 50.75 0.25 . 1 . . 1 A 86 PRO CD . 25476 1 1086 . 1 1 108 108 ILE H H 1 8.50 0.02 . 1 . . 1 A 87 ILE H . 25476 1 1087 . 1 1 108 108 ILE HA H 1 3.92 0.02 . 1 . . 1 A 87 ILE HA . 25476 1 1088 . 1 1 108 108 ILE HB H 1 1.73 0.02 . 1 . . 1 A 87 ILE HB . 25476 1 1089 . 1 1 108 108 ILE HG12 H 1 1.03 0.02 . 2 . . 1 A 87 ILE HG12 . 25476 1 1090 . 1 1 108 108 ILE HG13 H 1 1.66 0.02 . 2 . . 1 A 87 ILE HG13 . 25476 1 1091 . 1 1 108 108 ILE HG21 H 1 0.34 0.02 . 1 . . 1 A 87 ILE HG21 . 25476 1 1092 . 1 1 108 108 ILE HG22 H 1 0.34 0.02 . 1 . . 1 A 87 ILE HG22 . 25476 1 1093 . 1 1 108 108 ILE HG23 H 1 0.34 0.02 . 1 . . 1 A 87 ILE HG23 . 25476 1 1094 . 1 1 108 108 ILE HD11 H 1 0.93 0.02 . 1 . . 1 A 87 ILE HD11 . 25476 1 1095 . 1 1 108 108 ILE HD12 H 1 0.93 0.02 . 1 . . 1 A 87 ILE HD12 . 25476 1 1096 . 1 1 108 108 ILE HD13 H 1 0.93 0.02 . 1 . . 1 A 87 ILE HD13 . 25476 1 1097 . 1 1 108 108 ILE C C 13 175.51 0.25 . 1 . . 1 A 87 ILE C . 25476 1 1098 . 1 1 108 108 ILE CA C 13 60.12 0.25 . 1 . . 1 A 87 ILE CA . 25476 1 1099 . 1 1 108 108 ILE CB C 13 37.55 0.25 . 1 . . 1 A 87 ILE CB . 25476 1 1100 . 1 1 108 108 ILE CG1 C 13 26.80 0.25 . 1 . . 1 A 87 ILE CG1 . 25476 1 1101 . 1 1 108 108 ILE CG2 C 13 18.28 0.25 . 1 . . 1 A 87 ILE CG2 . 25476 1 1102 . 1 1 108 108 ILE CD1 C 13 13.76 0.25 . 1 . . 1 A 87 ILE CD1 . 25476 1 1103 . 1 1 108 108 ILE N N 15 123.98 0.15 . 1 . . 1 A 87 ILE N . 25476 1 1104 . 1 1 109 109 ASN H H 1 8.39 0.02 . 1 . . 1 A 88 ASN H . 25476 1 1105 . 1 1 109 109 ASN HA H 1 4.36 0.02 . 1 . . 1 A 88 ASN HA . 25476 1 1106 . 1 1 109 109 ASN HB2 H 1 2.69 0.02 . 2 . . 1 A 88 ASN HB2 . 25476 1 1107 . 1 1 109 109 ASN HB3 H 1 2.62 0.02 . 2 . . 1 A 88 ASN HB3 . 25476 1 1108 . 1 1 109 109 ASN CA C 13 52.21 0.25 . 1 . . 1 A 88 ASN CA . 25476 1 1109 . 1 1 109 109 ASN CB C 13 37.74 0.25 . 1 . . 1 A 88 ASN CB . 25476 1 1110 . 1 1 109 109 ASN N N 15 119.05 0.15 . 1 . . 1 A 88 ASN N . 25476 1 1111 . 1 1 111 111 THR HA H 1 3.80 0.02 . 1 . . 1 A 90 THR HA . 25476 1 1112 . 1 1 111 111 THR HB H 1 4.12 0.02 . 1 . . 1 A 90 THR HB . 25476 1 1113 . 1 1 111 111 THR HG21 H 1 1.27 0.02 . 1 . . 1 A 90 THR HG21 . 25476 1 1114 . 1 1 111 111 THR HG22 H 1 1.27 0.02 . 1 . . 1 A 90 THR HG22 . 25476 1 1115 . 1 1 111 111 THR HG23 H 1 1.27 0.02 . 1 . . 1 A 90 THR HG23 . 25476 1 1116 . 1 1 111 111 THR C C 13 175.86 0.25 . 1 . . 1 A 90 THR C . 25476 1 1117 . 1 1 111 111 THR CA C 13 66.30 0.25 . 1 . . 1 A 90 THR CA . 25476 1 1118 . 1 1 111 111 THR CB C 13 68.38 0.25 . 1 . . 1 A 90 THR CB . 25476 1 1119 . 1 1 111 111 THR CG2 C 13 21.82 0.25 . 1 . . 1 A 90 THR CG2 . 25476 1 1120 . 1 1 112 112 GLU H H 1 9.44 0.02 . 1 . . 1 A 91 GLU H . 25476 1 1121 . 1 1 112 112 GLU HA H 1 4.11 0.02 . 1 . . 1 A 91 GLU HA . 25476 1 1122 . 1 1 112 112 GLU HB2 H 1 2.01 0.02 . 2 . . 1 A 91 GLU HB2 . 25476 1 1123 . 1 1 112 112 GLU HB3 H 1 2.05 0.02 . 2 . . 1 A 91 GLU HB3 . 25476 1 1124 . 1 1 112 112 GLU HG2 H 1 2.35 0.02 . 2 . . 1 A 91 GLU HG2 . 25476 1 1125 . 1 1 112 112 GLU HG3 H 1 2.33 0.02 . 2 . . 1 A 91 GLU HG3 . 25476 1 1126 . 1 1 112 112 GLU C C 13 179.32 0.25 . 1 . . 1 A 91 GLU C . 25476 1 1127 . 1 1 112 112 GLU CA C 13 59.46 0.25 . 1 . . 1 A 91 GLU CA . 25476 1 1128 . 1 1 112 112 GLU CB C 13 29.04 0.25 . 1 . . 1 A 91 GLU CB . 25476 1 1129 . 1 1 112 112 GLU CG C 13 36.60 0.25 . 1 . . 1 A 91 GLU CG . 25476 1 1130 . 1 1 112 112 GLU N N 15 120.43 0.15 . 1 . . 1 A 91 GLU N . 25476 1 1131 . 1 1 113 113 VAL H H 1 7.01 0.02 . 1 . . 1 A 92 VAL H . 25476 1 1132 . 1 1 113 113 VAL HA H 1 3.62 0.02 . 1 . . 1 A 92 VAL HA . 25476 1 1133 . 1 1 113 113 VAL HB H 1 1.85 0.02 . 1 . . 1 A 92 VAL HB . 25476 1 1134 . 1 1 113 113 VAL HG11 H 1 0.76 0.02 . 2 . . 1 A 92 VAL HG11 . 25476 1 1135 . 1 1 113 113 VAL HG12 H 1 0.76 0.02 . 2 . . 1 A 92 VAL HG12 . 25476 1 1136 . 1 1 113 113 VAL HG13 H 1 0.76 0.02 . 2 . . 1 A 92 VAL HG13 . 25476 1 1137 . 1 1 113 113 VAL HG21 H 1 0.42 0.02 . 2 . . 1 A 92 VAL HG21 . 25476 1 1138 . 1 1 113 113 VAL HG22 H 1 0.42 0.02 . 2 . . 1 A 92 VAL HG22 . 25476 1 1139 . 1 1 113 113 VAL HG23 H 1 0.42 0.02 . 2 . . 1 A 92 VAL HG23 . 25476 1 1140 . 1 1 113 113 VAL C C 13 177.27 0.25 . 1 . . 1 A 92 VAL C . 25476 1 1141 . 1 1 113 113 VAL CA C 13 65.95 0.25 . 1 . . 1 A 92 VAL CA . 25476 1 1142 . 1 1 113 113 VAL CB C 13 31.48 0.25 . 1 . . 1 A 92 VAL CB . 25476 1 1143 . 1 1 113 113 VAL CG1 C 13 22.32 0.25 . 2 . . 1 A 92 VAL CG1 . 25476 1 1144 . 1 1 113 113 VAL CG2 C 13 22.14 0.25 . 2 . . 1 A 92 VAL CG2 . 25476 1 1145 . 1 1 113 113 VAL N N 15 119.81 0.15 . 1 . . 1 A 92 VAL N . 25476 1 1146 . 1 1 114 114 VAL H H 1 7.72 0.02 . 1 . . 1 A 93 VAL H . 25476 1 1147 . 1 1 114 114 VAL HA H 1 3.29 0.02 . 1 . . 1 A 93 VAL HA . 25476 1 1148 . 1 1 114 114 VAL HB H 1 2.10 0.02 . 1 . . 1 A 93 VAL HB . 25476 1 1149 . 1 1 114 114 VAL HG11 H 1 0.99 0.02 . 2 . . 1 A 93 VAL HG11 . 25476 1 1150 . 1 1 114 114 VAL HG12 H 1 0.99 0.02 . 2 . . 1 A 93 VAL HG12 . 25476 1 1151 . 1 1 114 114 VAL HG13 H 1 0.99 0.02 . 2 . . 1 A 93 VAL HG13 . 25476 1 1152 . 1 1 114 114 VAL HG21 H 1 0.93 0.02 . 2 . . 1 A 93 VAL HG21 . 25476 1 1153 . 1 1 114 114 VAL HG22 H 1 0.93 0.02 . 2 . . 1 A 93 VAL HG22 . 25476 1 1154 . 1 1 114 114 VAL HG23 H 1 0.93 0.02 . 2 . . 1 A 93 VAL HG23 . 25476 1 1155 . 1 1 114 114 VAL C C 13 177.97 0.25 . 1 . . 1 A 93 VAL C . 25476 1 1156 . 1 1 114 114 VAL CA C 13 67.35 0.25 . 1 . . 1 A 93 VAL CA . 25476 1 1157 . 1 1 114 114 VAL CB C 13 31.46 0.25 . 1 . . 1 A 93 VAL CB . 25476 1 1158 . 1 1 114 114 VAL CG1 C 13 21.26 0.25 . 2 . . 1 A 93 VAL CG1 . 25476 1 1159 . 1 1 114 114 VAL CG2 C 13 22.89 0.25 . 2 . . 1 A 93 VAL CG2 . 25476 1 1160 . 1 1 114 114 VAL N N 15 120.57 0.15 . 1 . . 1 A 93 VAL N . 25476 1 1161 . 1 1 115 115 GLU H H 1 8.32 0.02 . 1 . . 1 A 94 GLU H . 25476 1 1162 . 1 1 115 115 GLU HA H 1 4.11 0.02 . 1 . . 1 A 94 GLU HA . 25476 1 1163 . 1 1 115 115 GLU HB3 H 1 2.08 0.02 . 1 . . 1 A 94 GLU HB3 . 25476 1 1164 . 1 1 115 115 GLU HG2 H 1 2.26 0.02 . 2 . . 1 A 94 GLU HG2 . 25476 1 1165 . 1 1 115 115 GLU HG3 H 1 2.48 0.02 . 2 . . 1 A 94 GLU HG3 . 25476 1 1166 . 1 1 115 115 GLU C C 13 179.42 0.25 . 1 . . 1 A 94 GLU C . 25476 1 1167 . 1 1 115 115 GLU CA C 13 59.65 0.25 . 1 . . 1 A 94 GLU CA . 25476 1 1168 . 1 1 115 115 GLU CB C 13 29.39 0.25 . 1 . . 1 A 94 GLU CB . 25476 1 1169 . 1 1 115 115 GLU CG C 13 36.57 0.25 . 1 . . 1 A 94 GLU CG . 25476 1 1170 . 1 1 115 115 GLU N N 15 118.10 0.15 . 1 . . 1 A 94 GLU N . 25476 1 1171 . 1 1 116 116 ARG H H 1 7.35 0.02 . 1 . . 1 A 95 ARG H . 25476 1 1172 . 1 1 116 116 ARG HA H 1 4.37 0.02 . 1 . . 1 A 95 ARG HA . 25476 1 1173 . 1 1 116 116 ARG HB2 H 1 2.03 0.02 . 2 . . 1 A 95 ARG HB2 . 25476 1 1174 . 1 1 116 116 ARG HB3 H 1 2.06 0.02 . 2 . . 1 A 95 ARG HB3 . 25476 1 1175 . 1 1 116 116 ARG HG2 H 1 1.89 0.02 . 2 . . 1 A 95 ARG HG2 . 25476 1 1176 . 1 1 116 116 ARG HG3 H 1 1.77 0.02 . 2 . . 1 A 95 ARG HG3 . 25476 1 1177 . 1 1 116 116 ARG HD2 H 1 3.22 0.02 . 2 . . 1 A 95 ARG HD2 . 25476 1 1178 . 1 1 116 116 ARG HD3 H 1 3.39 0.02 . 2 . . 1 A 95 ARG HD3 . 25476 1 1179 . 1 1 116 116 ARG C C 13 179.51 0.25 . 1 . . 1 A 95 ARG C . 25476 1 1180 . 1 1 116 116 ARG CA C 13 57.54 0.25 . 1 . . 1 A 95 ARG CA . 25476 1 1181 . 1 1 116 116 ARG CB C 13 29.62 0.25 . 1 . . 1 A 95 ARG CB . 25476 1 1182 . 1 1 116 116 ARG CG C 13 26.38 0.25 . 1 . . 1 A 95 ARG CG . 25476 1 1183 . 1 1 116 116 ARG CD C 13 42.71 0.25 . 1 . . 1 A 95 ARG CD . 25476 1 1184 . 1 1 116 116 ARG N N 15 120.33 0.15 . 1 . . 1 A 95 ARG N . 25476 1 1185 . 1 1 117 117 LEU H H 1 8.60 0.02 . 1 . . 1 A 96 LEU H . 25476 1 1186 . 1 1 117 117 LEU HA H 1 3.83 0.02 . 1 . . 1 A 96 LEU HA . 25476 1 1187 . 1 1 117 117 LEU HB2 H 1 1.54 0.02 . 1 . . 1 A 96 LEU HB2 . 25476 1 1188 . 1 1 117 117 LEU HD11 H 1 0.81 0.02 . 1 . . 1 A 96 LEU HD11 . 25476 1 1189 . 1 1 117 117 LEU HD12 H 1 0.81 0.02 . 1 . . 1 A 96 LEU HD12 . 25476 1 1190 . 1 1 117 117 LEU HD13 H 1 0.81 0.02 . 1 . . 1 A 96 LEU HD13 . 25476 1 1191 . 1 1 117 117 LEU C C 13 177.60 0.25 . 1 . . 1 A 96 LEU C . 25476 1 1192 . 1 1 117 117 LEU CA C 13 59.29 0.25 . 1 . . 1 A 96 LEU CA . 25476 1 1193 . 1 1 117 117 LEU CB C 13 39.60 0.25 . 1 . . 1 A 96 LEU CB . 25476 1 1194 . 1 1 117 117 LEU CG C 13 28.73 0.25 . 1 . . 1 A 96 LEU CG . 25476 1 1195 . 1 1 117 117 LEU CD1 C 13 24.51 0.25 . 1 . . 1 A 96 LEU CD1 . 25476 1 1196 . 1 1 117 117 LEU N N 15 124.60 0.15 . 1 . . 1 A 96 LEU N . 25476 1 1197 . 1 1 118 118 GLU H H 1 8.54 0.02 . 1 . . 1 A 97 GLU H . 25476 1 1198 . 1 1 118 118 GLU HA H 1 3.74 0.02 . 1 . . 1 A 97 GLU HA . 25476 1 1199 . 1 1 118 118 GLU HB2 H 1 2.11 0.02 . 2 . . 1 A 97 GLU HB2 . 25476 1 1200 . 1 1 118 118 GLU HB3 H 1 2.05 0.02 . 2 . . 1 A 97 GLU HB3 . 25476 1 1201 . 1 1 118 118 GLU HG2 H 1 2.34 0.02 . 2 . . 1 A 97 GLU HG2 . 25476 1 1202 . 1 1 118 118 GLU HG3 H 1 2.22 0.02 . 2 . . 1 A 97 GLU HG3 . 25476 1 1203 . 1 1 118 118 GLU C C 13 177.63 0.25 . 1 . . 1 A 97 GLU C . 25476 1 1204 . 1 1 118 118 GLU CA C 13 60.44 0.25 . 1 . . 1 A 97 GLU CA . 25476 1 1205 . 1 1 118 118 GLU CB C 13 28.22 0.25 . 1 . . 1 A 97 GLU CB . 25476 1 1206 . 1 1 118 118 GLU CG C 13 36.24 0.25 . 1 . . 1 A 97 GLU CG . 25476 1 1207 . 1 1 118 118 GLU N N 15 118.19 0.15 . 1 . . 1 A 97 GLU N . 25476 1 1208 . 1 1 119 119 TYR H H 1 8.38 0.02 . 1 . . 1 A 98 TYR H . 25476 1 1209 . 1 1 119 119 TYR HA H 1 4.07 0.02 . 1 . . 1 A 98 TYR HA . 25476 1 1210 . 1 1 119 119 TYR HB2 H 1 3.17 0.02 . 2 . . 1 A 98 TYR HB2 . 25476 1 1211 . 1 1 119 119 TYR HB3 H 1 3.36 0.02 . 2 . . 1 A 98 TYR HB3 . 25476 1 1212 . 1 1 119 119 TYR HD1 H 1 7.08 0.02 . 3 . . 1 A 98 TYR HD1 . 25476 1 1213 . 1 1 119 119 TYR HD2 H 1 7.08 0.02 . 3 . . 1 A 98 TYR HD2 . 25476 1 1214 . 1 1 119 119 TYR HE1 H 1 6.87 0.02 . 3 . . 1 A 98 TYR HE1 . 25476 1 1215 . 1 1 119 119 TYR HE2 H 1 6.87 0.02 . 3 . . 1 A 98 TYR HE2 . 25476 1 1216 . 1 1 119 119 TYR C C 13 179.01 0.25 . 1 . . 1 A 98 TYR C . 25476 1 1217 . 1 1 119 119 TYR CA C 13 62.12 0.25 . 1 . . 1 A 98 TYR CA . 25476 1 1218 . 1 1 119 119 TYR CB C 13 38.79 0.25 . 1 . . 1 A 98 TYR CB . 25476 1 1219 . 1 1 119 119 TYR CD1 C 13 133.21 0.25 . 3 . . 1 A 98 TYR CD1 . 25476 1 1220 . 1 1 119 119 TYR CD2 C 13 133.21 0.25 . 3 . . 1 A 98 TYR CD2 . 25476 1 1221 . 1 1 119 119 TYR CE1 C 13 118.31 0.25 . 3 . . 1 A 98 TYR CE1 . 25476 1 1222 . 1 1 119 119 TYR CE2 C 13 118.31 0.25 . 3 . . 1 A 98 TYR CE2 . 25476 1 1223 . 1 1 119 119 TYR N N 15 119.16 0.15 . 1 . . 1 A 98 TYR N . 25476 1 1224 . 1 1 120 120 THR H H 1 8.48 0.02 . 1 . . 1 A 99 THR H . 25476 1 1225 . 1 1 120 120 THR HA H 1 4.31 0.02 . 1 . . 1 A 99 THR HA . 25476 1 1226 . 1 1 120 120 THR HB H 1 4.87 0.02 . 1 . . 1 A 99 THR HB . 25476 1 1227 . 1 1 120 120 THR HG21 H 1 1.72 0.02 . 1 . . 1 A 99 THR HG21 . 25476 1 1228 . 1 1 120 120 THR HG22 H 1 1.72 0.02 . 1 . . 1 A 99 THR HG22 . 25476 1 1229 . 1 1 120 120 THR HG23 H 1 1.72 0.02 . 1 . . 1 A 99 THR HG23 . 25476 1 1230 . 1 1 120 120 THR C C 13 178.32 0.25 . 1 . . 1 A 99 THR C . 25476 1 1231 . 1 1 120 120 THR CA C 13 64.89 0.25 . 1 . . 1 A 99 THR CA . 25476 1 1232 . 1 1 120 120 THR CB C 13 69.81 0.25 . 1 . . 1 A 99 THR CB . 25476 1 1233 . 1 1 120 120 THR CG2 C 13 22.69 0.25 . 1 . . 1 A 99 THR CG2 . 25476 1 1234 . 1 1 120 120 THR N N 15 109.22 0.15 . 1 . . 1 A 99 THR N . 25476 1 1235 . 1 1 121 121 LEU H H 1 8.20 0.02 . 1 . . 1 A 100 LEU H . 25476 1 1236 . 1 1 121 121 LEU HA H 1 3.54 0.02 . 1 . . 1 A 100 LEU HA . 25476 1 1237 . 1 1 121 121 LEU HB2 H 1 0.29 0.02 . 2 . . 1 A 100 LEU HB2 . 25476 1 1238 . 1 1 121 121 LEU HB3 H 1 1.43 0.02 . 2 . . 1 A 100 LEU HB3 . 25476 1 1239 . 1 1 121 121 LEU HG H 1 0.49 0.02 . 1 . . 1 A 100 LEU HG . 25476 1 1240 . 1 1 121 121 LEU HD11 H 1 -0.97 0.02 . 2 . . 1 A 100 LEU HD11 . 25476 1 1241 . 1 1 121 121 LEU HD12 H 1 -0.97 0.02 . 2 . . 1 A 100 LEU HD12 . 25476 1 1242 . 1 1 121 121 LEU HD13 H 1 -0.97 0.02 . 2 . . 1 A 100 LEU HD13 . 25476 1 1243 . 1 1 121 121 LEU HD21 H 1 -0.43 0.02 . 2 . . 1 A 100 LEU HD21 . 25476 1 1244 . 1 1 121 121 LEU HD22 H 1 -0.43 0.02 . 2 . . 1 A 100 LEU HD22 . 25476 1 1245 . 1 1 121 121 LEU HD23 H 1 -0.43 0.02 . 2 . . 1 A 100 LEU HD23 . 25476 1 1246 . 1 1 121 121 LEU C C 13 177.87 0.25 . 1 . . 1 A 100 LEU C . 25476 1 1247 . 1 1 121 121 LEU CA C 13 58.20 0.25 . 1 . . 1 A 100 LEU CA . 25476 1 1248 . 1 1 121 121 LEU CB C 13 41.46 0.25 . 1 . . 1 A 100 LEU CB . 25476 1 1249 . 1 1 121 121 LEU CG C 13 25.54 0.25 . 1 . . 1 A 100 LEU CG . 25476 1 1250 . 1 1 121 121 LEU CD1 C 13 20.25 0.25 . 2 . . 1 A 100 LEU CD1 . 25476 1 1251 . 1 1 121 121 LEU CD2 C 13 25.61 0.25 . 2 . . 1 A 100 LEU CD2 . 25476 1 1252 . 1 1 121 121 LEU N N 15 128.25 0.15 . 1 . . 1 A 100 LEU N . 25476 1 1253 . 1 1 122 122 ARG H H 1 8.44 0.02 . 1 . . 1 A 101 ARG H . 25476 1 1254 . 1 1 122 122 ARG HA H 1 3.61 0.02 . 1 . . 1 A 101 ARG HA . 25476 1 1255 . 1 1 122 122 ARG HB2 H 1 1.68 0.02 . 1 . . 1 A 101 ARG HB2 . 25476 1 1256 . 1 1 122 122 ARG HG2 H 1 1.28 0.02 . 1 . . 1 A 101 ARG HG2 . 25476 1 1257 . 1 1 122 122 ARG C C 13 178.93 0.25 . 1 . . 1 A 101 ARG C . 25476 1 1258 . 1 1 122 122 ARG CA C 13 60.46 0.25 . 1 . . 1 A 101 ARG CA . 25476 1 1259 . 1 1 122 122 ARG CB C 13 29.29 0.25 . 1 . . 1 A 101 ARG CB . 25476 1 1260 . 1 1 122 122 ARG N N 15 118.55 0.15 . 1 . . 1 A 101 ARG N . 25476 1 1261 . 1 1 123 123 GLU H H 1 7.97 0.02 . 1 . . 1 A 102 GLU H . 25476 1 1262 . 1 1 123 123 GLU HA H 1 3.92 0.02 . 1 . . 1 A 102 GLU HA . 25476 1 1263 . 1 1 123 123 GLU HB2 H 1 2.04 0.02 . 2 . . 1 A 102 GLU HB2 . 25476 1 1264 . 1 1 123 123 GLU HB3 H 1 1.88 0.02 . 2 . . 1 A 102 GLU HB3 . 25476 1 1265 . 1 1 123 123 GLU HG2 H 1 2.08 0.02 . 2 . . 1 A 102 GLU HG2 . 25476 1 1266 . 1 1 123 123 GLU HG3 H 1 2.24 0.02 . 2 . . 1 A 102 GLU HG3 . 25476 1 1267 . 1 1 123 123 GLU C C 13 178.36 0.25 . 1 . . 1 A 102 GLU C . 25476 1 1268 . 1 1 123 123 GLU CA C 13 58.95 0.25 . 1 . . 1 A 102 GLU CA . 25476 1 1269 . 1 1 123 123 GLU CB C 13 30.02 0.25 . 1 . . 1 A 102 GLU CB . 25476 1 1270 . 1 1 123 123 GLU CG C 13 36.20 0.25 . 1 . . 1 A 102 GLU CG . 25476 1 1271 . 1 1 123 123 GLU N N 15 119.76 0.15 . 1 . . 1 A 102 GLU N . 25476 1 1272 . 1 1 124 124 PHE H H 1 7.63 0.02 . 1 . . 1 A 103 PHE H . 25476 1 1273 . 1 1 124 124 PHE HA H 1 3.92 0.02 . 1 . . 1 A 103 PHE HA . 25476 1 1274 . 1 1 124 124 PHE HB2 H 1 2.95 0.02 . 2 . . 1 A 103 PHE HB2 . 25476 1 1275 . 1 1 124 124 PHE HB3 H 1 2.75 0.02 . 2 . . 1 A 103 PHE HB3 . 25476 1 1276 . 1 1 124 124 PHE HD1 H 1 6.07 0.02 . 3 . . 1 A 103 PHE HD1 . 25476 1 1277 . 1 1 124 124 PHE HD2 H 1 6.07 0.02 . 3 . . 1 A 103 PHE HD2 . 25476 1 1278 . 1 1 124 124 PHE HE1 H 1 6.57 0.02 . 3 . . 1 A 103 PHE HE1 . 25476 1 1279 . 1 1 124 124 PHE HE2 H 1 6.57 0.02 . 3 . . 1 A 103 PHE HE2 . 25476 1 1280 . 1 1 124 124 PHE C C 13 175.35 0.25 . 1 . . 1 A 103 PHE C . 25476 1 1281 . 1 1 124 124 PHE CA C 13 60.80 0.25 . 1 . . 1 A 103 PHE CA . 25476 1 1282 . 1 1 124 124 PHE CB C 13 39.54 0.25 . 1 . . 1 A 103 PHE CB . 25476 1 1283 . 1 1 124 124 PHE N N 15 119.57 0.15 . 1 . . 1 A 103 PHE N . 25476 1 1284 . 1 1 125 125 HIS H H 1 8.80 0.02 . 1 . . 1 A 104 HIS H . 25476 1 1285 . 1 1 125 125 HIS HA H 1 3.03 0.02 . 1 . . 1 A 104 HIS HA . 25476 1 1286 . 1 1 125 125 HIS HB2 H 1 2.38 0.02 . 2 . . 1 A 104 HIS HB2 . 25476 1 1287 . 1 1 125 125 HIS HB3 H 1 2.79 0.02 . 2 . . 1 A 104 HIS HB3 . 25476 1 1288 . 1 1 125 125 HIS HE1 H 1 7.95 0.02 . 1 . . 1 A 104 HIS HE1 . 25476 1 1289 . 1 1 125 125 HIS C C 13 175.46 0.25 . 1 . . 1 A 104 HIS C . 25476 1 1290 . 1 1 125 125 HIS CA C 13 60.71 0.25 . 1 . . 1 A 104 HIS CA . 25476 1 1291 . 1 1 125 125 HIS CB C 13 31.73 0.25 . 1 . . 1 A 104 HIS CB . 25476 1 1292 . 1 1 125 125 HIS N N 15 119.16 0.15 . 1 . . 1 A 104 HIS N . 25476 1 1293 . 1 1 126 126 GLU H H 1 7.89 0.02 . 1 . . 1 A 105 GLU H . 25476 1 1294 . 1 1 126 126 GLU HA H 1 3.44 0.02 . 1 . . 1 A 105 GLU HA . 25476 1 1295 . 1 1 126 126 GLU HB2 H 1 2.02 0.02 . 2 . . 1 A 105 GLU HB2 . 25476 1 1296 . 1 1 126 126 GLU HB3 H 1 1.93 0.02 . 2 . . 1 A 105 GLU HB3 . 25476 1 1297 . 1 1 126 126 GLU HG2 H 1 2.14 0.02 . 2 . . 1 A 105 GLU HG2 . 25476 1 1298 . 1 1 126 126 GLU HG3 H 1 2.30 0.02 . 2 . . 1 A 105 GLU HG3 . 25476 1 1299 . 1 1 126 126 GLU C C 13 177.99 0.25 . 1 . . 1 A 105 GLU C . 25476 1 1300 . 1 1 126 126 GLU CA C 13 59.61 0.25 . 1 . . 1 A 105 GLU CA . 25476 1 1301 . 1 1 126 126 GLU CB C 13 29.30 0.25 . 1 . . 1 A 105 GLU CB . 25476 1 1302 . 1 1 126 126 GLU CG C 13 36.18 0.25 . 1 . . 1 A 105 GLU CG . 25476 1 1303 . 1 1 126 126 GLU N N 15 117.90 0.15 . 1 . . 1 A 105 GLU N . 25476 1 1304 . 1 1 127 127 LYS H H 1 6.87 0.02 . 1 . . 1 A 106 LYS H . 25476 1 1305 . 1 1 127 127 LYS HA H 1 3.97 0.02 . 1 . . 1 A 106 LYS HA . 25476 1 1306 . 1 1 127 127 LYS HB2 H 1 1.73 0.02 . 2 . . 1 A 106 LYS HB2 . 25476 1 1307 . 1 1 127 127 LYS HB3 H 1 1.73 0.02 . 2 . . 1 A 106 LYS HB3 . 25476 1 1308 . 1 1 127 127 LYS HG2 H 1 1.73 0.02 . 2 . . 1 A 106 LYS HG2 . 25476 1 1309 . 1 1 127 127 LYS HG3 H 1 1.56 0.02 . 2 . . 1 A 106 LYS HG3 . 25476 1 1310 . 1 1 127 127 LYS HD2 H 1 1.85 0.02 . 2 . . 1 A 106 LYS HD2 . 25476 1 1311 . 1 1 127 127 LYS HD3 H 1 1.78 0.02 . 2 . . 1 A 106 LYS HD3 . 25476 1 1312 . 1 1 127 127 LYS HE2 H 1 3.07 0.02 . 2 . . 1 A 106 LYS HE2 . 25476 1 1313 . 1 1 127 127 LYS HE3 H 1 3.15 0.02 . 2 . . 1 A 106 LYS HE3 . 25476 1 1314 . 1 1 127 127 LYS C C 13 179.57 0.25 . 1 . . 1 A 106 LYS C . 25476 1 1315 . 1 1 127 127 LYS CA C 13 58.71 0.25 . 1 . . 1 A 106 LYS CA . 25476 1 1316 . 1 1 127 127 LYS CB C 13 32.78 0.25 . 1 . . 1 A 106 LYS CB . 25476 1 1317 . 1 1 127 127 LYS CG C 13 25.13 0.25 . 1 . . 1 A 106 LYS CG . 25476 1 1318 . 1 1 127 127 LYS CD C 13 29.63 0.25 . 1 . . 1 A 106 LYS CD . 25476 1 1319 . 1 1 127 127 LYS CE C 13 41.97 0.25 . 1 . . 1 A 106 LYS CE . 25476 1 1320 . 1 1 127 127 LYS N N 15 117.26 0.15 . 1 . . 1 A 106 LYS N . 25476 1 1321 . 1 1 128 128 LEU H H 1 8.02 0.02 . 1 . . 1 A 107 LEU H . 25476 1 1322 . 1 1 128 128 LEU HA H 1 3.45 0.02 . 1 . . 1 A 107 LEU HA . 25476 1 1323 . 1 1 128 128 LEU HB2 H 1 0.81 0.02 . 2 . . 1 A 107 LEU HB2 . 25476 1 1324 . 1 1 128 128 LEU HB3 H 1 0.12 0.02 . 2 . . 1 A 107 LEU HB3 . 25476 1 1325 . 1 1 128 128 LEU HD11 H 1 0.12 0.02 . 2 . . 1 A 107 LEU HD11 . 25476 1 1326 . 1 1 128 128 LEU HD12 H 1 0.12 0.02 . 2 . . 1 A 107 LEU HD12 . 25476 1 1327 . 1 1 128 128 LEU HD13 H 1 0.12 0.02 . 2 . . 1 A 107 LEU HD13 . 25476 1 1328 . 1 1 128 128 LEU HD21 H 1 0.13 0.02 . 2 . . 1 A 107 LEU HD21 . 25476 1 1329 . 1 1 128 128 LEU HD22 H 1 0.13 0.02 . 2 . . 1 A 107 LEU HD22 . 25476 1 1330 . 1 1 128 128 LEU HD23 H 1 0.13 0.02 . 2 . . 1 A 107 LEU HD23 . 25476 1 1331 . 1 1 128 128 LEU C C 13 177.17 0.25 . 1 . . 1 A 107 LEU C . 25476 1 1332 . 1 1 128 128 LEU CA C 13 57.34 0.25 . 1 . . 1 A 107 LEU CA . 25476 1 1333 . 1 1 128 128 LEU CB C 13 41.24 0.25 . 1 . . 1 A 107 LEU CB . 25476 1 1334 . 1 1 128 128 LEU CD1 C 13 26.17 0.25 . 2 . . 1 A 107 LEU CD1 . 25476 1 1335 . 1 1 128 128 LEU CD2 C 13 23.42 0.25 . 2 . . 1 A 107 LEU CD2 . 25476 1 1336 . 1 1 128 128 LEU N N 15 123.18 0.15 . 1 . . 1 A 107 LEU N . 25476 1 1337 . 1 1 129 129 ARG H H 1 8.68 0.02 . 1 . . 1 A 108 ARG H . 25476 1 1338 . 1 1 129 129 ARG HA H 1 3.41 0.02 . 1 . . 1 A 108 ARG HA . 25476 1 1339 . 1 1 129 129 ARG HB2 H 1 1.62 0.02 . 2 . . 1 A 108 ARG HB2 . 25476 1 1340 . 1 1 129 129 ARG HB3 H 1 1.68 0.02 . 2 . . 1 A 108 ARG HB3 . 25476 1 1341 . 1 1 129 129 ARG HG2 H 1 1.62 0.02 . 2 . . 1 A 108 ARG HG2 . 25476 1 1342 . 1 1 129 129 ARG HG3 H 1 1.40 0.02 . 2 . . 1 A 108 ARG HG3 . 25476 1 1343 . 1 1 129 129 ARG HD2 H 1 3.25 0.02 . 2 . . 1 A 108 ARG HD2 . 25476 1 1344 . 1 1 129 129 ARG HD3 H 1 3.04 0.02 . 2 . . 1 A 108 ARG HD3 . 25476 1 1345 . 1 1 129 129 ARG C C 13 178.46 0.25 . 1 . . 1 A 108 ARG C . 25476 1 1346 . 1 1 129 129 ARG CA C 13 59.64 0.25 . 1 . . 1 A 108 ARG CA . 25476 1 1347 . 1 1 129 129 ARG CB C 13 29.21 0.25 . 1 . . 1 A 108 ARG CB . 25476 1 1348 . 1 1 129 129 ARG CG C 13 26.11 0.25 . 1 . . 1 A 108 ARG CG . 25476 1 1349 . 1 1 129 129 ARG CD C 13 43.11 0.25 . 1 . . 1 A 108 ARG CD . 25476 1 1350 . 1 1 129 129 ARG N N 15 120.07 0.15 . 1 . . 1 A 108 ARG N . 25476 1 1351 . 1 1 130 130 ASP H H 1 7.89 0.02 . 1 . . 1 A 109 ASP H . 25476 1 1352 . 1 1 130 130 ASP HA H 1 4.31 0.02 . 1 . . 1 A 109 ASP HA . 25476 1 1353 . 1 1 130 130 ASP HB2 H 1 2.54 0.02 . 2 . . 1 A 109 ASP HB2 . 25476 1 1354 . 1 1 130 130 ASP HB3 H 1 2.65 0.02 . 2 . . 1 A 109 ASP HB3 . 25476 1 1355 . 1 1 130 130 ASP C C 13 178.90 0.25 . 1 . . 1 A 109 ASP C . 25476 1 1356 . 1 1 130 130 ASP CA C 13 57.14 0.25 . 1 . . 1 A 109 ASP CA . 25476 1 1357 . 1 1 130 130 ASP CB C 13 39.87 0.25 . 1 . . 1 A 109 ASP CB . 25476 1 1358 . 1 1 130 130 ASP N N 15 119.48 0.15 . 1 . . 1 A 109 ASP N . 25476 1 1359 . 1 1 131 131 LEU H H 1 7.65 0.02 . 1 . . 1 A 110 LEU H . 25476 1 1360 . 1 1 131 131 LEU HA H 1 4.10 0.02 . 1 . . 1 A 110 LEU HA . 25476 1 1361 . 1 1 131 131 LEU HB2 H 1 1.95 0.02 . 2 . . 1 A 110 LEU HB2 . 25476 1 1362 . 1 1 131 131 LEU HB3 H 1 1.65 0.02 . 2 . . 1 A 110 LEU HB3 . 25476 1 1363 . 1 1 131 131 LEU HG H 1 1.34 0.02 . 1 . . 1 A 110 LEU HG . 25476 1 1364 . 1 1 131 131 LEU HD11 H 1 0.78 0.02 . 2 . . 1 A 110 LEU HD11 . 25476 1 1365 . 1 1 131 131 LEU HD12 H 1 0.78 0.02 . 2 . . 1 A 110 LEU HD12 . 25476 1 1366 . 1 1 131 131 LEU HD13 H 1 0.78 0.02 . 2 . . 1 A 110 LEU HD13 . 25476 1 1367 . 1 1 131 131 LEU HD21 H 1 0.84 0.02 . 2 . . 1 A 110 LEU HD21 . 25476 1 1368 . 1 1 131 131 LEU HD22 H 1 0.84 0.02 . 2 . . 1 A 110 LEU HD22 . 25476 1 1369 . 1 1 131 131 LEU HD23 H 1 0.84 0.02 . 2 . . 1 A 110 LEU HD23 . 25476 1 1370 . 1 1 131 131 LEU C C 13 179.83 0.25 . 1 . . 1 A 110 LEU C . 25476 1 1371 . 1 1 131 131 LEU CA C 13 57.68 0.25 . 1 . . 1 A 110 LEU CA . 25476 1 1372 . 1 1 131 131 LEU CB C 13 41.29 0.25 . 1 . . 1 A 110 LEU CB . 25476 1 1373 . 1 1 131 131 LEU CG C 13 27.52 0.25 . 1 . . 1 A 110 LEU CG . 25476 1 1374 . 1 1 131 131 LEU CD1 C 13 26.62 0.25 . 2 . . 1 A 110 LEU CD1 . 25476 1 1375 . 1 1 131 131 LEU CD2 C 13 23.97 0.25 . 2 . . 1 A 110 LEU CD2 . 25476 1 1376 . 1 1 131 131 LEU N N 15 122.74 0.15 . 1 . . 1 A 110 LEU N . 25476 1 1377 . 1 1 132 132 LEU H H 1 8.32 0.02 . 1 . . 1 A 111 LEU H . 25476 1 1378 . 1 1 132 132 LEU HA H 1 3.83 0.02 . 1 . . 1 A 111 LEU HA . 25476 1 1379 . 1 1 132 132 LEU HB2 H 1 1.50 0.02 . 1 . . 1 A 111 LEU HB2 . 25476 1 1380 . 1 1 132 132 LEU HD11 H 1 0.54 0.02 . 2 . . 1 A 111 LEU HD11 . 25476 1 1381 . 1 1 132 132 LEU HD12 H 1 0.54 0.02 . 2 . . 1 A 111 LEU HD12 . 25476 1 1382 . 1 1 132 132 LEU HD13 H 1 0.54 0.02 . 2 . . 1 A 111 LEU HD13 . 25476 1 1383 . 1 1 132 132 LEU HD21 H 1 0.29 0.02 . 2 . . 1 A 111 LEU HD21 . 25476 1 1384 . 1 1 132 132 LEU HD22 H 1 0.29 0.02 . 2 . . 1 A 111 LEU HD22 . 25476 1 1385 . 1 1 132 132 LEU HD23 H 1 0.29 0.02 . 2 . . 1 A 111 LEU HD23 . 25476 1 1386 . 1 1 132 132 LEU C C 13 179.99 0.25 . 1 . . 1 A 111 LEU C . 25476 1 1387 . 1 1 132 132 LEU CA C 13 58.61 0.25 . 1 . . 1 A 111 LEU CA . 25476 1 1388 . 1 1 132 132 LEU CB C 13 39.38 0.25 . 1 . . 1 A 111 LEU CB . 25476 1 1389 . 1 1 132 132 LEU CD1 C 13 27.46 0.25 . 2 . . 1 A 111 LEU CD1 . 25476 1 1390 . 1 1 132 132 LEU CD2 C 13 22.55 0.25 . 2 . . 1 A 111 LEU CD2 . 25476 1 1391 . 1 1 132 132 LEU N N 15 122.17 0.15 . 1 . . 1 A 111 LEU N . 25476 1 1392 . 1 1 133 133 ILE H H 1 8.79 0.02 . 1 . . 1 A 112 ILE H . 25476 1 1393 . 1 1 133 133 ILE HA H 1 3.97 0.02 . 1 . . 1 A 112 ILE HA . 25476 1 1394 . 1 1 133 133 ILE HB H 1 1.99 0.02 . 1 . . 1 A 112 ILE HB . 25476 1 1395 . 1 1 133 133 ILE HG12 H 1 1.72 0.02 . 2 . . 1 A 112 ILE HG12 . 25476 1 1396 . 1 1 133 133 ILE HG13 H 1 1.28 0.02 . 2 . . 1 A 112 ILE HG13 . 25476 1 1397 . 1 1 133 133 ILE HG21 H 1 0.95 0.02 . 1 . . 1 A 112 ILE HG21 . 25476 1 1398 . 1 1 133 133 ILE HG22 H 1 0.95 0.02 . 1 . . 1 A 112 ILE HG22 . 25476 1 1399 . 1 1 133 133 ILE HG23 H 1 0.95 0.02 . 1 . . 1 A 112 ILE HG23 . 25476 1 1400 . 1 1 133 133 ILE HD11 H 1 0.88 0.02 . 1 . . 1 A 112 ILE HD11 . 25476 1 1401 . 1 1 133 133 ILE HD12 H 1 0.88 0.02 . 1 . . 1 A 112 ILE HD12 . 25476 1 1402 . 1 1 133 133 ILE HD13 H 1 0.88 0.02 . 1 . . 1 A 112 ILE HD13 . 25476 1 1403 . 1 1 133 133 ILE C C 13 180.93 0.25 . 1 . . 1 A 112 ILE C . 25476 1 1404 . 1 1 133 133 ILE CA C 13 64.66 0.25 . 1 . . 1 A 112 ILE CA . 25476 1 1405 . 1 1 133 133 ILE CB C 13 37.32 0.25 . 1 . . 1 A 112 ILE CB . 25476 1 1406 . 1 1 133 133 ILE CG1 C 13 29.65 0.25 . 1 . . 1 A 112 ILE CG1 . 25476 1 1407 . 1 1 133 133 ILE CG2 C 13 17.40 0.25 . 1 . . 1 A 112 ILE CG2 . 25476 1 1408 . 1 1 133 133 ILE CD1 C 13 13.25 0.25 . 1 . . 1 A 112 ILE CD1 . 25476 1 1409 . 1 1 133 133 ILE N N 15 122.49 0.15 . 1 . . 1 A 112 ILE N . 25476 1 1410 . 1 1 134 134 SER H H 1 7.72 0.02 . 1 . . 1 A 113 SER H . 25476 1 1411 . 1 1 134 134 SER HA H 1 4.40 0.02 . 1 . . 1 A 113 SER HA . 25476 1 1412 . 1 1 134 134 SER HB2 H 1 4.04 0.02 . 2 . . 1 A 113 SER HB2 . 25476 1 1413 . 1 1 134 134 SER HB3 H 1 4.08 0.02 . 2 . . 1 A 113 SER HB3 . 25476 1 1414 . 1 1 134 134 SER C C 13 174.52 0.25 . 1 . . 1 A 113 SER C . 25476 1 1415 . 1 1 134 134 SER CA C 13 61.39 0.25 . 1 . . 1 A 113 SER CA . 25476 1 1416 . 1 1 134 134 SER CB C 13 62.63 0.25 . 1 . . 1 A 113 SER CB . 25476 1 1417 . 1 1 134 134 SER N N 15 119.86 0.15 . 1 . . 1 A 113 SER N . 25476 1 1418 . 1 1 135 135 MET H H 1 7.48 0.02 . 1 . . 1 A 114 MET H . 25476 1 1419 . 1 1 135 135 MET HA H 1 4.53 0.02 . 1 . . 1 A 114 MET HA . 25476 1 1420 . 1 1 135 135 MET HB2 H 1 1.83 0.02 . 2 . . 1 A 114 MET HB2 . 25476 1 1421 . 1 1 135 135 MET HB3 H 1 2.23 0.02 . 2 . . 1 A 114 MET HB3 . 25476 1 1422 . 1 1 135 135 MET HG3 H 1 2.42 0.02 . 1 . . 1 A 114 MET HG3 . 25476 1 1423 . 1 1 135 135 MET HE1 H 1 1.50 0.02 . 1 . . 1 A 114 MET HE1 . 25476 1 1424 . 1 1 135 135 MET HE2 H 1 1.50 0.02 . 1 . . 1 A 114 MET HE2 . 25476 1 1425 . 1 1 135 135 MET HE3 H 1 1.50 0.02 . 1 . . 1 A 114 MET HE3 . 25476 1 1426 . 1 1 135 135 MET C C 13 173.85 0.25 . 1 . . 1 A 114 MET C . 25476 1 1427 . 1 1 135 135 MET CA C 13 55.33 0.25 . 1 . . 1 A 114 MET CA . 25476 1 1428 . 1 1 135 135 MET CB C 13 34.04 0.25 . 1 . . 1 A 114 MET CB . 25476 1 1429 . 1 1 135 135 MET CG C 13 32.01 0.25 . 1 . . 1 A 114 MET CG . 25476 1 1430 . 1 1 135 135 MET CE C 13 16.17 0.25 . 1 . . 1 A 114 MET CE . 25476 1 1431 . 1 1 135 135 MET N N 15 121.89 0.15 . 1 . . 1 A 114 MET N . 25476 1 1432 . 1 1 136 136 GLU H H 1 8.11 0.02 . 1 . . 1 A 115 GLU H . 25476 1 1433 . 1 1 136 136 GLU HA H 1 3.90 0.02 . 1 . . 1 A 115 GLU HA . 25476 1 1434 . 1 1 136 136 GLU HB2 H 1 2.38 0.02 . 2 . . 1 A 115 GLU HB2 . 25476 1 1435 . 1 1 136 136 GLU HB3 H 1 2.32 0.02 . 2 . . 1 A 115 GLU HB3 . 25476 1 1436 . 1 1 136 136 GLU HG2 H 1 2.22 0.02 . 2 . . 1 A 115 GLU HG2 . 25476 1 1437 . 1 1 136 136 GLU HG3 H 1 2.21 0.02 . 2 . . 1 A 115 GLU HG3 . 25476 1 1438 . 1 1 136 136 GLU C C 13 174.88 0.25 . 1 . . 1 A 115 GLU C . 25476 1 1439 . 1 1 136 136 GLU CA C 13 57.27 0.25 . 1 . . 1 A 115 GLU CA . 25476 1 1440 . 1 1 136 136 GLU CB C 13 26.51 0.25 . 1 . . 1 A 115 GLU CB . 25476 1 1441 . 1 1 136 136 GLU CG C 13 36.84 0.25 . 1 . . 1 A 115 GLU CG . 25476 1 1442 . 1 1 136 136 GLU N N 15 114.16 0.15 . 1 . . 1 A 115 GLU N . 25476 1 1443 . 1 1 137 137 LEU H H 1 7.97 0.02 . 1 . . 1 A 116 LEU H . 25476 1 1444 . 1 1 137 137 LEU HA H 1 4.66 0.02 . 1 . . 1 A 116 LEU HA . 25476 1 1445 . 1 1 137 137 LEU HB2 H 1 1.12 0.02 . 2 . . 1 A 116 LEU HB2 . 25476 1 1446 . 1 1 137 137 LEU HB3 H 1 1.66 0.02 . 2 . . 1 A 116 LEU HB3 . 25476 1 1447 . 1 1 137 137 LEU HG H 1 1.66 0.02 . 1 . . 1 A 116 LEU HG . 25476 1 1448 . 1 1 137 137 LEU HD11 H 1 0.79 0.02 . 2 . . 1 A 116 LEU HD11 . 25476 1 1449 . 1 1 137 137 LEU HD12 H 1 0.79 0.02 . 2 . . 1 A 116 LEU HD12 . 25476 1 1450 . 1 1 137 137 LEU HD13 H 1 0.79 0.02 . 2 . . 1 A 116 LEU HD13 . 25476 1 1451 . 1 1 137 137 LEU HD21 H 1 0.94 0.02 . 2 . . 1 A 116 LEU HD21 . 25476 1 1452 . 1 1 137 137 LEU HD22 H 1 0.94 0.02 . 2 . . 1 A 116 LEU HD22 . 25476 1 1453 . 1 1 137 137 LEU HD23 H 1 0.94 0.02 . 2 . . 1 A 116 LEU HD23 . 25476 1 1454 . 1 1 137 137 LEU C C 13 174.91 0.25 . 1 . . 1 A 116 LEU C . 25476 1 1455 . 1 1 137 137 LEU CA C 13 53.10 0.25 . 1 . . 1 A 116 LEU CA . 25476 1 1456 . 1 1 137 137 LEU CB C 13 45.57 0.25 . 1 . . 1 A 116 LEU CB . 25476 1 1457 . 1 1 137 137 LEU CG C 13 25.87 0.25 . 1 . . 1 A 116 LEU CG . 25476 1 1458 . 1 1 137 137 LEU CD1 C 13 25.95 0.25 . 2 . . 1 A 116 LEU CD1 . 25476 1 1459 . 1 1 137 137 LEU CD2 C 13 23.41 0.25 . 2 . . 1 A 116 LEU CD2 . 25476 1 1460 . 1 1 137 137 LEU N N 15 119.87 0.15 . 1 . . 1 A 116 LEU N . 25476 1 1461 . 1 1 138 138 ALA H H 1 7.53 0.02 . 1 . . 1 A 117 ALA H . 25476 1 1462 . 1 1 138 138 ALA HA H 1 4.45 0.02 . 1 . . 1 A 117 ALA HA . 25476 1 1463 . 1 1 138 138 ALA HB1 H 1 1.51 0.02 . 1 . . 1 A 117 ALA HB1 . 25476 1 1464 . 1 1 138 138 ALA HB2 H 1 1.51 0.02 . 1 . . 1 A 117 ALA HB2 . 25476 1 1465 . 1 1 138 138 ALA HB3 H 1 1.51 0.02 . 1 . . 1 A 117 ALA HB3 . 25476 1 1466 . 1 1 138 138 ALA C C 13 174.87 0.25 . 1 . . 1 A 117 ALA C . 25476 1 1467 . 1 1 138 138 ALA CA C 13 50.87 0.25 . 1 . . 1 A 117 ALA CA . 25476 1 1468 . 1 1 138 138 ALA CB C 13 20.70 0.25 . 1 . . 1 A 117 ALA CB . 25476 1 1469 . 1 1 138 138 ALA N N 15 123.73 0.15 . 1 . . 1 A 117 ALA N . 25476 1 1470 . 1 1 139 139 LEU H H 1 8.25 0.02 . 1 . . 1 A 118 LEU H . 25476 1 1471 . 1 1 139 139 LEU HA H 1 5.48 0.02 . 1 . . 1 A 118 LEU HA . 25476 1 1472 . 1 1 139 139 LEU HB2 H 1 1.78 0.02 . 2 . . 1 A 118 LEU HB2 . 25476 1 1473 . 1 1 139 139 LEU HB3 H 1 1.23 0.02 . 2 . . 1 A 118 LEU HB3 . 25476 1 1474 . 1 1 139 139 LEU HD11 H 1 0.82 0.02 . 2 . . 1 A 118 LEU HD11 . 25476 1 1475 . 1 1 139 139 LEU HD12 H 1 0.82 0.02 . 2 . . 1 A 118 LEU HD12 . 25476 1 1476 . 1 1 139 139 LEU HD13 H 1 0.82 0.02 . 2 . . 1 A 118 LEU HD13 . 25476 1 1477 . 1 1 139 139 LEU HD21 H 1 0.33 0.02 . 2 . . 1 A 118 LEU HD21 . 25476 1 1478 . 1 1 139 139 LEU HD22 H 1 0.33 0.02 . 2 . . 1 A 118 LEU HD22 . 25476 1 1479 . 1 1 139 139 LEU HD23 H 1 0.33 0.02 . 2 . . 1 A 118 LEU HD23 . 25476 1 1480 . 1 1 139 139 LEU C C 13 175.56 0.25 . 1 . . 1 A 118 LEU C . 25476 1 1481 . 1 1 139 139 LEU CA C 13 53.84 0.25 . 1 . . 1 A 118 LEU CA . 25476 1 1482 . 1 1 139 139 LEU CB C 13 43.49 0.25 . 1 . . 1 A 118 LEU CB . 25476 1 1483 . 1 1 139 139 LEU CD1 C 13 23.12 0.25 . 2 . . 1 A 118 LEU CD1 . 25476 1 1484 . 1 1 139 139 LEU CD2 C 13 26.46 0.25 . 2 . . 1 A 118 LEU CD2 . 25476 1 1485 . 1 1 139 139 LEU N N 15 121.61 0.15 . 1 . . 1 A 118 LEU N . 25476 1 1486 . 1 1 140 140 GLU H H 1 8.73 0.02 . 1 . . 1 A 119 GLU H . 25476 1 1487 . 1 1 140 140 GLU HA H 1 5.12 0.02 . 1 . . 1 A 119 GLU HA . 25476 1 1488 . 1 1 140 140 GLU HB2 H 1 1.54 0.02 . 2 . . 1 A 119 GLU HB2 . 25476 1 1489 . 1 1 140 140 GLU HB3 H 1 2.18 0.02 . 2 . . 1 A 119 GLU HB3 . 25476 1 1490 . 1 1 140 140 GLU HG2 H 1 2.13 0.02 . 2 . . 1 A 119 GLU HG2 . 25476 1 1491 . 1 1 140 140 GLU HG3 H 1 2.41 0.02 . 2 . . 1 A 119 GLU HG3 . 25476 1 1492 . 1 1 140 140 GLU C C 13 171.51 0.25 . 1 . . 1 A 119 GLU C . 25476 1 1493 . 1 1 140 140 GLU CA C 13 52.97 0.25 . 1 . . 1 A 119 GLU CA . 25476 1 1494 . 1 1 140 140 GLU CB C 13 32.87 0.25 . 1 . . 1 A 119 GLU CB . 25476 1 1495 . 1 1 140 140 GLU CG C 13 36.02 0.25 . 1 . . 1 A 119 GLU CG . 25476 1 1496 . 1 1 140 140 GLU N N 15 127.30 0.15 . 1 . . 1 A 119 GLU N . 25476 1 1497 . 1 1 141 141 PRO HA H 1 4.57 0.02 . 1 . . 1 A 120 PRO HA . 25476 1 1498 . 1 1 141 141 PRO HB3 H 1 2.05 0.02 . 1 . . 1 A 120 PRO HB3 . 25476 1 1499 . 1 1 141 141 PRO HD2 H 1 3.69 0.02 . 2 . . 1 A 120 PRO HD2 . 25476 1 1500 . 1 1 141 141 PRO HD3 H 1 3.81 0.02 . 2 . . 1 A 120 PRO HD3 . 25476 1 1501 . 1 1 141 141 PRO C C 13 176.42 0.25 . 1 . . 1 A 120 PRO C . 25476 1 1502 . 1 1 141 141 PRO CA C 13 61.76 0.25 . 1 . . 1 A 120 PRO CA . 25476 1 1503 . 1 1 141 141 PRO CB C 13 32.39 0.25 . 1 . . 1 A 120 PRO CB . 25476 1 1504 . 1 1 141 141 PRO CG C 13 27.32 0.25 . 1 . . 1 A 120 PRO CG . 25476 1 1505 . 1 1 141 141 PRO CD C 13 50.58 0.25 . 1 . . 1 A 120 PRO CD . 25476 1 1506 . 1 1 142 142 SER H H 1 8.69 0.02 . 1 . . 1 A 121 SER H . 25476 1 1507 . 1 1 142 142 SER HA H 1 4.06 0.02 . 1 . . 1 A 121 SER HA . 25476 1 1508 . 1 1 142 142 SER HB2 H 1 3.72 0.02 . 2 . . 1 A 121 SER HB2 . 25476 1 1509 . 1 1 142 142 SER HB3 H 1 3.78 0.02 . 2 . . 1 A 121 SER HB3 . 25476 1 1510 . 1 1 142 142 SER C C 13 175.15 0.25 . 1 . . 1 A 121 SER C . 25476 1 1511 . 1 1 142 142 SER CA C 13 59.23 0.25 . 1 . . 1 A 121 SER CA . 25476 1 1512 . 1 1 142 142 SER CB C 13 62.97 0.25 . 1 . . 1 A 121 SER CB . 25476 1 1513 . 1 1 142 142 SER N N 15 117.04 0.15 . 1 . . 1 A 121 SER N . 25476 1 1514 . 1 1 143 143 ASP H H 1 8.83 0.02 . 1 . . 1 A 122 ASP H . 25476 1 1515 . 1 1 143 143 ASP HA H 1 4.37 0.02 . 1 . . 1 A 122 ASP HA . 25476 1 1516 . 1 1 143 143 ASP HB2 H 1 2.76 0.02 . 2 . . 1 A 122 ASP HB2 . 25476 1 1517 . 1 1 143 143 ASP HB3 H 1 2.62 0.02 . 2 . . 1 A 122 ASP HB3 . 25476 1 1518 . 1 1 143 143 ASP C C 13 176.24 0.25 . 1 . . 1 A 122 ASP C . 25476 1 1519 . 1 1 143 143 ASP CA C 13 57.10 0.25 . 1 . . 1 A 122 ASP CA . 25476 1 1520 . 1 1 143 143 ASP CB C 13 40.19 0.25 . 1 . . 1 A 122 ASP CB . 25476 1 1521 . 1 1 143 143 ASP N N 15 124.14 0.15 . 1 . . 1 A 122 ASP N . 25476 1 1522 . 1 1 144 144 ASP H H 1 8.21 0.02 . 1 . . 1 A 123 ASP H . 25476 1 1523 . 1 1 144 144 ASP HA H 1 4.62 0.02 . 1 . . 1 A 123 ASP HA . 25476 1 1524 . 1 1 144 144 ASP HB2 H 1 2.61 0.02 . 2 . . 1 A 123 ASP HB2 . 25476 1 1525 . 1 1 144 144 ASP HB3 H 1 2.91 0.02 . 2 . . 1 A 123 ASP HB3 . 25476 1 1526 . 1 1 144 144 ASP C C 13 174.85 0.25 . 1 . . 1 A 123 ASP C . 25476 1 1527 . 1 1 144 144 ASP CA C 13 52.79 0.25 . 1 . . 1 A 123 ASP CA . 25476 1 1528 . 1 1 144 144 ASP CB C 13 40.27 0.25 . 1 . . 1 A 123 ASP CB . 25476 1 1529 . 1 1 144 144 ASP N N 15 115.72 0.15 . 1 . . 1 A 123 ASP N . 25476 1 1530 . 1 1 145 145 PHE H H 1 8.06 0.02 . 1 . . 1 A 124 PHE H . 25476 1 1531 . 1 1 145 145 PHE HA H 1 5.03 0.02 . 1 . . 1 A 124 PHE HA . 25476 1 1532 . 1 1 145 145 PHE HB2 H 1 3.15 0.02 . 2 . . 1 A 124 PHE HB2 . 25476 1 1533 . 1 1 145 145 PHE HB3 H 1 3.00 0.02 . 2 . . 1 A 124 PHE HB3 . 25476 1 1534 . 1 1 145 145 PHE HD1 H 1 7.44 0.02 . 3 . . 1 A 124 PHE HD1 . 25476 1 1535 . 1 1 145 145 PHE HD2 H 1 7.44 0.02 . 3 . . 1 A 124 PHE HD2 . 25476 1 1536 . 1 1 145 145 PHE HE1 H 1 7.36 0.02 . 3 . . 1 A 124 PHE HE1 . 25476 1 1537 . 1 1 145 145 PHE HE2 H 1 7.36 0.02 . 3 . . 1 A 124 PHE HE2 . 25476 1 1538 . 1 1 145 145 PHE C C 13 174.04 0.25 . 1 . . 1 A 124 PHE C . 25476 1 1539 . 1 1 145 145 PHE CA C 13 56.04 0.25 . 1 . . 1 A 124 PHE CA . 25476 1 1540 . 1 1 145 145 PHE CB C 13 42.17 0.25 . 1 . . 1 A 124 PHE CB . 25476 1 1541 . 1 1 145 145 PHE N N 15 122.44 0.15 . 1 . . 1 A 124 PHE N . 25476 1 1542 . 1 1 146 146 ASN H H 1 7.70 0.02 . 1 . . 1 A 125 ASN H . 25476 1 1543 . 1 1 146 146 ASN HA H 1 4.74 0.02 . 1 . . 1 A 125 ASN HA . 25476 1 1544 . 1 1 146 146 ASN HB2 H 1 2.70 0.02 . 2 . . 1 A 125 ASN HB2 . 25476 1 1545 . 1 1 146 146 ASN HB3 H 1 2.84 0.02 . 2 . . 1 A 125 ASN HB3 . 25476 1 1546 . 1 1 146 146 ASN C C 13 175.07 0.25 . 1 . . 1 A 125 ASN C . 25476 1 1547 . 1 1 146 146 ASN CA C 13 53.43 0.25 . 1 . . 1 A 125 ASN CA . 25476 1 1548 . 1 1 146 146 ASN CB C 13 39.73 0.25 . 1 . . 1 A 125 ASN CB . 25476 1 1549 . 1 1 146 146 ASN N N 15 126.85 0.15 . 1 . . 1 A 125 ASN N . 25476 1 1550 . 1 1 147 147 ASP H H 1 7.30 0.02 . 1 . . 1 A 126 ASP H . 25476 1 1551 . 1 1 147 147 ASP HA H 1 4.13 0.02 . 1 . . 1 A 126 ASP HA . 25476 1 1552 . 1 1 147 147 ASP HB2 H 1 2.76 0.02 . 2 . . 1 A 126 ASP HB2 . 25476 1 1553 . 1 1 147 147 ASP HB3 H 1 2.84 0.02 . 2 . . 1 A 126 ASP HB3 . 25476 1 1554 . 1 1 147 147 ASP C C 13 176.28 0.25 . 1 . . 1 A 126 ASP C . 25476 1 1555 . 1 1 147 147 ASP CA C 13 56.03 0.25 . 1 . . 1 A 126 ASP CA . 25476 1 1556 . 1 1 147 147 ASP CB C 13 39.10 0.25 . 1 . . 1 A 126 ASP CB . 25476 1 1557 . 1 1 147 147 ASP N N 15 120.33 0.15 . 1 . . 1 A 126 ASP N . 25476 1 1558 . 1 1 148 148 GLU H H 1 8.32 0.02 . 1 . . 1 A 127 GLU H . 25476 1 1559 . 1 1 148 148 GLU HA H 1 4.36 0.02 . 1 . . 1 A 127 GLU HA . 25476 1 1560 . 1 1 148 148 GLU CA C 13 55.47 0.25 . 1 . . 1 A 127 GLU CA . 25476 1 1561 . 1 1 148 148 GLU N N 15 127.84 0.15 . 1 . . 1 A 127 GLU N . 25476 1 1562 . 1 1 149 149 PRO HA H 1 4.67 0.02 . 1 . . 1 A 128 PRO HA . 25476 1 1563 . 1 1 149 149 PRO HG2 H 1 1.99 0.02 . 1 . . 1 A 128 PRO HG2 . 25476 1 1564 . 1 1 149 149 PRO HD2 H 1 3.64 0.02 . 2 . . 1 A 128 PRO HD2 . 25476 1 1565 . 1 1 149 149 PRO HD3 H 1 4.13 0.02 . 2 . . 1 A 128 PRO HD3 . 25476 1 1566 . 1 1 149 149 PRO C C 13 176.01 0.25 . 1 . . 1 A 128 PRO C . 25476 1 1567 . 1 1 149 149 PRO CA C 13 63.63 0.25 . 1 . . 1 A 128 PRO CA . 25476 1 1568 . 1 1 149 149 PRO CB C 13 31.94 0.25 . 1 . . 1 A 128 PRO CB . 25476 1 1569 . 1 1 149 149 PRO CG C 13 27.71 0.25 . 1 . . 1 A 128 PRO CG . 25476 1 1570 . 1 1 149 149 PRO CD C 13 50.84 0.25 . 1 . . 1 A 128 PRO CD . 25476 1 1571 . 1 1 150 150 VAL H H 1 7.99 0.02 . 1 . . 1 A 129 VAL H . 25476 1 1572 . 1 1 150 150 VAL HA H 1 3.99 0.02 . 1 . . 1 A 129 VAL HA . 25476 1 1573 . 1 1 150 150 VAL HB H 1 1.79 0.02 . 1 . . 1 A 129 VAL HB . 25476 1 1574 . 1 1 150 150 VAL HG11 H 1 0.83 0.02 . 2 . . 1 A 129 VAL HG11 . 25476 1 1575 . 1 1 150 150 VAL HG12 H 1 0.83 0.02 . 2 . . 1 A 129 VAL HG12 . 25476 1 1576 . 1 1 150 150 VAL HG13 H 1 0.83 0.02 . 2 . . 1 A 129 VAL HG13 . 25476 1 1577 . 1 1 150 150 VAL HG21 H 1 0.60 0.02 . 2 . . 1 A 129 VAL HG21 . 25476 1 1578 . 1 1 150 150 VAL HG22 H 1 0.60 0.02 . 2 . . 1 A 129 VAL HG22 . 25476 1 1579 . 1 1 150 150 VAL HG23 H 1 0.60 0.02 . 2 . . 1 A 129 VAL HG23 . 25476 1 1580 . 1 1 150 150 VAL C C 13 173.65 0.25 . 1 . . 1 A 129 VAL C . 25476 1 1581 . 1 1 150 150 VAL CA C 13 60.98 0.25 . 1 . . 1 A 129 VAL CA . 25476 1 1582 . 1 1 150 150 VAL CB C 13 32.13 0.25 . 1 . . 1 A 129 VAL CB . 25476 1 1583 . 1 1 150 150 VAL CG1 C 13 21.72 0.25 . 2 . . 1 A 129 VAL CG1 . 25476 1 1584 . 1 1 150 150 VAL CG2 C 13 21.48 0.25 . 2 . . 1 A 129 VAL CG2 . 25476 1 1585 . 1 1 150 150 VAL N N 15 122.94 0.15 . 1 . . 1 A 129 VAL N . 25476 1 1586 . 1 1 151 151 LYS H H 1 8.24 0.02 . 1 . . 1 A 130 LYS H . 25476 1 1587 . 1 1 151 151 LYS HA H 1 4.51 0.02 . 1 . . 1 A 130 LYS HA . 25476 1 1588 . 1 1 151 151 LYS HB2 H 1 1.71 0.02 . 2 . . 1 A 130 LYS HB2 . 25476 1 1589 . 1 1 151 151 LYS HB3 H 1 1.67 0.02 . 2 . . 1 A 130 LYS HB3 . 25476 1 1590 . 1 1 151 151 LYS C C 13 174.90 0.25 . 1 . . 1 A 130 LYS C . 25476 1 1591 . 1 1 151 151 LYS CA C 13 53.15 0.25 . 1 . . 1 A 130 LYS CA . 25476 1 1592 . 1 1 151 151 LYS CB C 13 34.51 0.25 . 1 . . 1 A 130 LYS CB . 25476 1 1593 . 1 1 151 151 LYS CG C 13 24.58 0.25 . 1 . . 1 A 130 LYS CG . 25476 1 1594 . 1 1 151 151 LYS CD C 13 28.81 0.25 . 1 . . 1 A 130 LYS CD . 25476 1 1595 . 1 1 151 151 LYS CE C 13 41.79 0.25 . 1 . . 1 A 130 LYS CE . 25476 1 1596 . 1 1 151 151 LYS N N 15 124.62 0.15 . 1 . . 1 A 130 LYS N . 25476 1 1597 . 1 1 152 152 LEU HA H 1 3.80 0.02 . 1 . . 1 A 131 LEU HA . 25476 1 1598 . 1 1 152 152 LEU HB2 H 1 1.58 0.02 . 2 . . 1 A 131 LEU HB2 . 25476 1 1599 . 1 1 152 152 LEU HB3 H 1 1.27 0.02 . 2 . . 1 A 131 LEU HB3 . 25476 1 1600 . 1 1 152 152 LEU HD11 H 1 0.10 0.02 . 2 . . 1 A 131 LEU HD11 . 25476 1 1601 . 1 1 152 152 LEU HD12 H 1 0.10 0.02 . 2 . . 1 A 131 LEU HD12 . 25476 1 1602 . 1 1 152 152 LEU HD13 H 1 0.10 0.02 . 2 . . 1 A 131 LEU HD13 . 25476 1 1603 . 1 1 152 152 LEU HD21 H 1 -0.06 0.02 . 2 . . 1 A 131 LEU HD21 . 25476 1 1604 . 1 1 152 152 LEU HD22 H 1 -0.06 0.02 . 2 . . 1 A 131 LEU HD22 . 25476 1 1605 . 1 1 152 152 LEU HD23 H 1 -0.06 0.02 . 2 . . 1 A 131 LEU HD23 . 25476 1 1606 . 1 1 152 152 LEU C C 13 178.40 0.25 . 1 . . 1 A 131 LEU C . 25476 1 1607 . 1 1 152 152 LEU CA C 13 56.05 0.25 . 1 . . 1 A 131 LEU CA . 25476 1 1608 . 1 1 152 152 LEU CB C 13 40.80 0.25 . 1 . . 1 A 131 LEU CB . 25476 1 1609 . 1 1 152 152 LEU CD1 C 13 24.88 0.25 . 2 . . 1 A 131 LEU CD1 . 25476 1 1610 . 1 1 152 152 LEU CD2 C 13 21.80 0.25 . 2 . . 1 A 131 LEU CD2 . 25476 1 1611 . 1 1 153 153 SER H H 1 9.07 0.02 . 1 . . 1 A 132 SER H . 25476 1 1612 . 1 1 153 153 SER HA H 1 4.61 0.02 . 1 . . 1 A 132 SER HA . 25476 1 1613 . 1 1 153 153 SER HB2 H 1 4.05 0.02 . 1 . . 1 A 132 SER HB2 . 25476 1 1614 . 1 1 153 153 SER C C 13 172.97 0.25 . 1 . . 1 A 132 SER C . 25476 1 1615 . 1 1 153 153 SER CA C 13 58.62 0.25 . 1 . . 1 A 132 SER CA . 25476 1 1616 . 1 1 153 153 SER CB C 13 63.31 0.25 . 1 . . 1 A 132 SER CB . 25476 1 1617 . 1 1 153 153 SER N N 15 115.55 0.15 . 1 . . 1 A 132 SER N . 25476 1 1618 . 1 1 154 154 ALA H H 1 7.71 0.02 . 1 . . 1 A 133 ALA H . 25476 1 1619 . 1 1 154 154 ALA HA H 1 4.04 0.02 . 1 . . 1 A 133 ALA HA . 25476 1 1620 . 1 1 154 154 ALA HB1 H 1 1.35 0.02 . 1 . . 1 A 133 ALA HB1 . 25476 1 1621 . 1 1 154 154 ALA HB2 H 1 1.35 0.02 . 1 . . 1 A 133 ALA HB2 . 25476 1 1622 . 1 1 154 154 ALA HB3 H 1 1.35 0.02 . 1 . . 1 A 133 ALA HB3 . 25476 1 1623 . 1 1 154 154 ALA C C 13 171.60 0.25 . 1 . . 1 A 133 ALA C . 25476 1 1624 . 1 1 154 154 ALA CA C 13 53.96 0.25 . 1 . . 1 A 133 ALA CA . 25476 1 1625 . 1 1 154 154 ALA CB C 13 19.82 0.25 . 1 . . 1 A 133 ALA CB . 25476 1 1626 . 1 1 154 154 ALA N N 15 130.95 0.15 . 1 . . 1 A 133 ALA N . 25476 1 stop_ save_