data_25350 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25350 _Entry.Title ; Solution structure of PsbQ from spinacia oleracea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-19 _Entry.Accession_date 2014-11-19 _Entry.Last_release_date 2015-07-27 _Entry.Original_release_date 2015-07-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _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.ORCID _Entry_author.Entry_ID 1 Petr Rathner . . . . 25350 2 Norbert Mueller . . . . 25350 3 Reinhard Wimmer . . . . 25350 4 Kousik Chandra . . . . 25350 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' . 25350 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Oxygen evolving complex' . 25350 'PSII PsbQ protein' . 25350 Photosynthesis . 25350 'Photosystem II' . 25350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 638 25350 '15N chemical shifts' 148 25350 '1H chemical shifts' 924 25350 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 2 . . 2016-02-19 2014-11-19 update BMRB 'update entry citation' 25350 1 . . 2015-07-27 2014-11-19 original author 'original release' 25350 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17357 'PsbQ protein' 25350 PDB 1VYK 'X-Ray structure' 25350 PDB 2MWQ 'BMRB Entry Tracking System' 25350 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25350 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26138376 _Citation.Full_citation . _Citation.Title ; Solution NMR and molecular dynamics reveal a persistent alpha helix within the dynamic region of PsbQ from photosystem II of higher plants ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 83 _Citation.Journal_issue 9 _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 1677 _Citation.Page_last 1686 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Petr Rathner . . . . 25350 1 2 Adriana Walnerova . . . . 25350 1 3 Michaela Hornicakova . . . . 25350 1 4 Christian Wohlschlager . . . . 25350 1 5 Kousik Chandra . . . . 25350 1 6 Jaroslava Kohoutova . . . . 25350 1 7 Ruediger Ettrich . . . . 25350 1 8 Reinhard Wimmer . . . . 25350 1 9 Norbert Mueller . . . . 25350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25350 _Assembly.ID 1 _Assembly.Name 'PsbQ from spinacia oleracea' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PsbQ 1 $PsbQ A . yes native no no . . . 25350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PsbQ _Entity.Sf_category entity _Entity.Sf_framecode PsbQ _Entity.Entry_ID 25350 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PsbQ _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 ; EARPIVVGPPPPLSGGLPGT ENSDQARDGTLPYTKDRFYL QPLPPTEAAQRAKVSASEIL NVKQFIDRKAWPSLQNDLRL RASYLRYDLKTVISAKPKDE KKSLQELTSKLFSSIDNLDH AAKIKSPTEAEKYYGQTVSN INEVLAKLG ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16544.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLU . 25350 1 2 2 ALA . 25350 1 3 3 ARG . 25350 1 4 4 PRO . 25350 1 5 5 ILE . 25350 1 6 6 VAL . 25350 1 7 7 VAL . 25350 1 8 8 GLY . 25350 1 9 9 PRO . 25350 1 10 10 PRO . 25350 1 11 11 PRO . 25350 1 12 12 PRO . 25350 1 13 13 LEU . 25350 1 14 14 SER . 25350 1 15 15 GLY . 25350 1 16 16 GLY . 25350 1 17 17 LEU . 25350 1 18 18 PRO . 25350 1 19 19 GLY . 25350 1 20 20 THR . 25350 1 21 21 GLU . 25350 1 22 22 ASN . 25350 1 23 23 SER . 25350 1 24 24 ASP . 25350 1 25 25 GLN . 25350 1 26 26 ALA . 25350 1 27 27 ARG . 25350 1 28 28 ASP . 25350 1 29 29 GLY . 25350 1 30 30 THR . 25350 1 31 31 LEU . 25350 1 32 32 PRO . 25350 1 33 33 TYR . 25350 1 34 34 THR . 25350 1 35 35 LYS . 25350 1 36 36 ASP . 25350 1 37 37 ARG . 25350 1 38 38 PHE . 25350 1 39 39 TYR . 25350 1 40 40 LEU . 25350 1 41 41 GLN . 25350 1 42 42 PRO . 25350 1 43 43 LEU . 25350 1 44 44 PRO . 25350 1 45 45 PRO . 25350 1 46 46 THR . 25350 1 47 47 GLU . 25350 1 48 48 ALA . 25350 1 49 49 ALA . 25350 1 50 50 GLN . 25350 1 51 51 ARG . 25350 1 52 52 ALA . 25350 1 53 53 LYS . 25350 1 54 54 VAL . 25350 1 55 55 SER . 25350 1 56 56 ALA . 25350 1 57 57 SER . 25350 1 58 58 GLU . 25350 1 59 59 ILE . 25350 1 60 60 LEU . 25350 1 61 61 ASN . 25350 1 62 62 VAL . 25350 1 63 63 LYS . 25350 1 64 64 GLN . 25350 1 65 65 PHE . 25350 1 66 66 ILE . 25350 1 67 67 ASP . 25350 1 68 68 ARG . 25350 1 69 69 LYS . 25350 1 70 70 ALA . 25350 1 71 71 TRP . 25350 1 72 72 PRO . 25350 1 73 73 SER . 25350 1 74 74 LEU . 25350 1 75 75 GLN . 25350 1 76 76 ASN . 25350 1 77 77 ASP . 25350 1 78 78 LEU . 25350 1 79 79 ARG . 25350 1 80 80 LEU . 25350 1 81 81 ARG . 25350 1 82 82 ALA . 25350 1 83 83 SER . 25350 1 84 84 TYR . 25350 1 85 85 LEU . 25350 1 86 86 ARG . 25350 1 87 87 TYR . 25350 1 88 88 ASP . 25350 1 89 89 LEU . 25350 1 90 90 LYS . 25350 1 91 91 THR . 25350 1 92 92 VAL . 25350 1 93 93 ILE . 25350 1 94 94 SER . 25350 1 95 95 ALA . 25350 1 96 96 LYS . 25350 1 97 97 PRO . 25350 1 98 98 LYS . 25350 1 99 99 ASP . 25350 1 100 100 GLU . 25350 1 101 101 LYS . 25350 1 102 102 LYS . 25350 1 103 103 SER . 25350 1 104 104 LEU . 25350 1 105 105 GLN . 25350 1 106 106 GLU . 25350 1 107 107 LEU . 25350 1 108 108 THR . 25350 1 109 109 SER . 25350 1 110 110 LYS . 25350 1 111 111 LEU . 25350 1 112 112 PHE . 25350 1 113 113 SER . 25350 1 114 114 SER . 25350 1 115 115 ILE . 25350 1 116 116 ASP . 25350 1 117 117 ASN . 25350 1 118 118 LEU . 25350 1 119 119 ASP . 25350 1 120 120 HIS . 25350 1 121 121 ALA . 25350 1 122 122 ALA . 25350 1 123 123 LYS . 25350 1 124 124 ILE . 25350 1 125 125 LYS . 25350 1 126 126 SER . 25350 1 127 127 PRO . 25350 1 128 128 THR . 25350 1 129 129 GLU . 25350 1 130 130 ALA . 25350 1 131 131 GLU . 25350 1 132 132 LYS . 25350 1 133 133 TYR . 25350 1 134 134 TYR . 25350 1 135 135 GLY . 25350 1 136 136 GLN . 25350 1 137 137 THR . 25350 1 138 138 VAL . 25350 1 139 139 SER . 25350 1 140 140 ASN . 25350 1 141 141 ILE . 25350 1 142 142 ASN . 25350 1 143 143 GLU . 25350 1 144 144 VAL . 25350 1 145 145 LEU . 25350 1 146 146 ALA . 25350 1 147 147 LYS . 25350 1 148 148 LEU . 25350 1 149 149 GLY . 25350 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 . GLU 1 1 25350 1 . ALA 2 2 25350 1 . ARG 3 3 25350 1 . PRO 4 4 25350 1 . ILE 5 5 25350 1 . VAL 6 6 25350 1 . VAL 7 7 25350 1 . GLY 8 8 25350 1 . PRO 9 9 25350 1 . PRO 10 10 25350 1 . PRO 11 11 25350 1 . PRO 12 12 25350 1 . LEU 13 13 25350 1 . SER 14 14 25350 1 . GLY 15 15 25350 1 . GLY 16 16 25350 1 . LEU 17 17 25350 1 . PRO 18 18 25350 1 . GLY 19 19 25350 1 . THR 20 20 25350 1 . GLU 21 21 25350 1 . ASN 22 22 25350 1 . SER 23 23 25350 1 . ASP 24 24 25350 1 . GLN 25 25 25350 1 . ALA 26 26 25350 1 . ARG 27 27 25350 1 . ASP 28 28 25350 1 . GLY 29 29 25350 1 . THR 30 30 25350 1 . LEU 31 31 25350 1 . PRO 32 32 25350 1 . TYR 33 33 25350 1 . THR 34 34 25350 1 . LYS 35 35 25350 1 . ASP 36 36 25350 1 . ARG 37 37 25350 1 . PHE 38 38 25350 1 . TYR 39 39 25350 1 . LEU 40 40 25350 1 . GLN 41 41 25350 1 . PRO 42 42 25350 1 . LEU 43 43 25350 1 . PRO 44 44 25350 1 . PRO 45 45 25350 1 . THR 46 46 25350 1 . GLU 47 47 25350 1 . ALA 48 48 25350 1 . ALA 49 49 25350 1 . GLN 50 50 25350 1 . ARG 51 51 25350 1 . ALA 52 52 25350 1 . LYS 53 53 25350 1 . VAL 54 54 25350 1 . SER 55 55 25350 1 . ALA 56 56 25350 1 . SER 57 57 25350 1 . GLU 58 58 25350 1 . ILE 59 59 25350 1 . LEU 60 60 25350 1 . ASN 61 61 25350 1 . VAL 62 62 25350 1 . LYS 63 63 25350 1 . GLN 64 64 25350 1 . PHE 65 65 25350 1 . ILE 66 66 25350 1 . ASP 67 67 25350 1 . ARG 68 68 25350 1 . LYS 69 69 25350 1 . ALA 70 70 25350 1 . TRP 71 71 25350 1 . PRO 72 72 25350 1 . SER 73 73 25350 1 . LEU 74 74 25350 1 . GLN 75 75 25350 1 . ASN 76 76 25350 1 . ASP 77 77 25350 1 . LEU 78 78 25350 1 . ARG 79 79 25350 1 . LEU 80 80 25350 1 . ARG 81 81 25350 1 . ALA 82 82 25350 1 . SER 83 83 25350 1 . TYR 84 84 25350 1 . LEU 85 85 25350 1 . ARG 86 86 25350 1 . TYR 87 87 25350 1 . ASP 88 88 25350 1 . LEU 89 89 25350 1 . LYS 90 90 25350 1 . THR 91 91 25350 1 . VAL 92 92 25350 1 . ILE 93 93 25350 1 . SER 94 94 25350 1 . ALA 95 95 25350 1 . LYS 96 96 25350 1 . PRO 97 97 25350 1 . LYS 98 98 25350 1 . ASP 99 99 25350 1 . GLU 100 100 25350 1 . LYS 101 101 25350 1 . LYS 102 102 25350 1 . SER 103 103 25350 1 . LEU 104 104 25350 1 . GLN 105 105 25350 1 . GLU 106 106 25350 1 . LEU 107 107 25350 1 . THR 108 108 25350 1 . SER 109 109 25350 1 . LYS 110 110 25350 1 . LEU 111 111 25350 1 . PHE 112 112 25350 1 . SER 113 113 25350 1 . SER 114 114 25350 1 . ILE 115 115 25350 1 . ASP 116 116 25350 1 . ASN 117 117 25350 1 . LEU 118 118 25350 1 . ASP 119 119 25350 1 . HIS 120 120 25350 1 . ALA 121 121 25350 1 . ALA 122 122 25350 1 . LYS 123 123 25350 1 . ILE 124 124 25350 1 . LYS 125 125 25350 1 . SER 126 126 25350 1 . PRO 127 127 25350 1 . THR 128 128 25350 1 . GLU 129 129 25350 1 . ALA 130 130 25350 1 . GLU 131 131 25350 1 . LYS 132 132 25350 1 . TYR 133 133 25350 1 . TYR 134 134 25350 1 . GLY 135 135 25350 1 . GLN 136 136 25350 1 . THR 137 137 25350 1 . VAL 138 138 25350 1 . SER 139 139 25350 1 . ASN 140 140 25350 1 . ILE 141 141 25350 1 . ASN 142 142 25350 1 . GLU 143 143 25350 1 . VAL 144 144 25350 1 . LEU 145 145 25350 1 . ALA 146 146 25350 1 . LYS 147 147 25350 1 . LEU 148 148 25350 1 . GLY 149 149 25350 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 25350 _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 $PsbQ . 3562 organism . 'spinacia oleracea' spinach . . Eukaryota Viridiplantae spinacia oleracea . . . . . . . . . . . . . 25350 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 25350 _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 $PsbQ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . JR2592 . . . 25350 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25350 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PsbQ '[U-13C; U-15N]' . . 1 $PsbQ . . 0.8 . . mM . . . . 25350 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25350 1 3 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 25350 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25350 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25350 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25350 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25350 _Sample.ID 2 _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 PsbQ '[U-13C; U-15N]' . . 1 $PsbQ . . 0.8 . . mM . . . . 25350 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25350 2 3 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 25350 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25350 2 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 25350 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25350 _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' 0.06 . M 25350 1 pH 7.0 . pH 25350 1 pressure 1 . atm 25350 1 temperature 298.15 . K 25350 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25350 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25350 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25350 1 'data analysis' 25350 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25350 _Software.ID 2 _Software.Name CARA _Software.Version 1.5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25350 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25350 2 'peak picking' 25350 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25350 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25350 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25350 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25350 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25350 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25350 4 'structure solution' 25350 4 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25350 _Software.ID 5 _Software.Name YASARA _Software.Version 12.1.19 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'YASARA Biosciences' . . 25350 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25350 5 refinement 25350 5 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 25350 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25350 _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 AVIII . 700 'TCI cryoprobe' . . 25350 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 25350 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 5 '3D HC(C)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 6 '3D (H)C(C)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 8 '3D HC(C)H-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 9 '3D TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25350 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 25350 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25350 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25350 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25350 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25350 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25350 1 2 '2D 1H-13C HSQC aliphatic' . . . 25350 1 3 '2D 1H-13C HSQC aromatic' . . . 25350 1 4 '3D CBCA(CO)NH' . . . 25350 1 5 '3D HC(C)H-TOCSY' . . . 25350 1 6 '3D (H)C(C)(CO)NH' . . . 25350 1 7 '3D HBHA(CO)NH' . . . 25350 1 8 '3D HC(C)H-COSY' . . . 25350 1 9 '3D TOCSY-HSQC' . . . 25350 1 10 '2D (HB)CB(CGCD)HD' . . . 25350 1 11 '2D (HB)CB(CGCDCE)HE' . . . 25350 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 1 1 GLU HA H 1 4.290 0.020 . 1 . . . A 1 GLU HA . 25350 1 2 . 1 1 1 1 GLU HB2 H 1 2.051 0.020 . 1 . . . A 1 GLU HB2 . 25350 1 3 . 1 1 1 1 GLU HB3 H 1 1.947 0.020 . 1 . . . A 1 GLU HB3 . 25350 1 4 . 1 1 1 1 GLU HG2 H 1 2.291 0.020 . 1 . . . A 1 GLU HG2 . 25350 1 5 . 1 1 1 1 GLU C C 13 175.743 0.300 . 1 . . . A 1 GLU C . 25350 1 6 . 1 1 1 1 GLU CA C 13 56.149 0.300 . 1 . . . A 1 GLU CA . 25350 1 7 . 1 1 1 1 GLU CB C 13 30.084 0.300 . 1 . . . A 1 GLU CB . 25350 1 8 . 1 1 1 1 GLU CG C 13 36.445 0.300 . 1 . . . A 1 GLU CG . 25350 1 9 . 1 1 2 2 ALA H H 1 8.532 0.020 . 1 . . . A 2 ALA H . 25350 1 10 . 1 1 2 2 ALA HA H 1 4.294 0.020 . 1 . . . A 2 ALA HA . 25350 1 11 . 1 1 2 2 ALA HB1 H 1 1.384 0.020 . 1 . . . A 2 ALA HB1 . 25350 1 12 . 1 1 2 2 ALA HB2 H 1 1.384 0.020 . 1 . . . A 2 ALA HB2 . 25350 1 13 . 1 1 2 2 ALA HB3 H 1 1.384 0.020 . 1 . . . A 2 ALA HB3 . 25350 1 14 . 1 1 2 2 ALA C C 13 177.285 0.300 . 1 . . . A 2 ALA C . 25350 1 15 . 1 1 2 2 ALA CA C 13 52.361 0.300 . 1 . . . A 2 ALA CA . 25350 1 16 . 1 1 2 2 ALA CB C 13 19.135 0.300 . 1 . . . A 2 ALA CB . 25350 1 17 . 1 1 2 2 ALA N N 15 126.317 0.300 . 1 . . . A 2 ALA N . 25350 1 18 . 1 1 3 3 ARG H H 1 8.365 0.020 . 1 . . . A 3 ARG H . 25350 1 19 . 1 1 3 3 ARG HA H 1 4.549 0.020 . 1 . . . A 3 ARG HA . 25350 1 20 . 1 1 3 3 ARG HB2 H 1 2.070 0.020 . 1 . . . A 3 ARG HB2 . 25350 1 21 . 1 1 3 3 ARG C C 13 174.172 0.300 . 1 . . . A 3 ARG C . 25350 1 22 . 1 1 3 3 ARG CA C 13 53.157 0.300 . 1 . . . A 3 ARG CA . 25350 1 23 . 1 1 3 3 ARG CB C 13 33.689 0.300 . 1 . . . A 3 ARG CB . 25350 1 24 . 1 1 3 3 ARG N N 15 122.153 0.300 . 1 . . . A 3 ARG N . 25350 1 25 . 1 1 4 4 PRO HA H 1 4.421 0.020 . 1 . . . A 4 PRO HA . 25350 1 26 . 1 1 4 4 PRO HB2 H 1 2.268 0.020 . 1 . . . A 4 PRO HB2 . 25350 1 27 . 1 1 4 4 PRO HB3 H 1 1.840 0.020 . 1 . . . A 4 PRO HB3 . 25350 1 28 . 1 1 4 4 PRO HG2 H 1 2.012 0.020 . 1 . . . A 4 PRO HG2 . 25350 1 29 . 1 1 4 4 PRO HG3 H 1 1.949 0.020 . 1 . . . A 4 PRO HG3 . 25350 1 30 . 1 1 4 4 PRO HD2 H 1 3.788 0.020 . 1 . . . A 4 PRO HD2 . 25350 1 31 . 1 1 4 4 PRO HD3 H 1 3.608 0.020 . 1 . . . A 4 PRO HD3 . 25350 1 32 . 1 1 4 4 PRO C C 13 176.611 0.300 . 1 . . . A 4 PRO C . 25350 1 33 . 1 1 4 4 PRO CA C 13 62.896 0.300 . 1 . . . A 4 PRO CA . 25350 1 34 . 1 1 4 4 PRO CB C 13 31.678 0.300 . 1 . . . A 4 PRO CB . 25350 1 35 . 1 1 4 4 PRO CG C 13 27.028 0.300 . 1 . . . A 4 PRO CG . 25350 1 36 . 1 1 4 4 PRO CD C 13 50.320 0.300 . 1 . . . A 4 PRO CD . 25350 1 37 . 1 1 4 4 PRO N N 15 137.044 0.300 . 1 . . . A 4 PRO N . 25350 1 38 . 1 1 5 5 ILE H H 1 8.299 0.020 . 1 . . . A 5 ILE H . 25350 1 39 . 1 1 5 5 ILE HA H 1 4.132 0.020 . 1 . . . A 5 ILE HA . 25350 1 40 . 1 1 5 5 ILE HB H 1 1.803 0.020 . 1 . . . A 5 ILE HB . 25350 1 41 . 1 1 5 5 ILE HG12 H 1 1.498 0.020 . 1 . . . A 5 ILE HG12 . 25350 1 42 . 1 1 5 5 ILE HG13 H 1 1.205 0.020 . 1 . . . A 5 ILE HG13 . 25350 1 43 . 1 1 5 5 ILE HG21 H 1 0.879 0.020 . 1 . . . A 5 ILE HG21 . 25350 1 44 . 1 1 5 5 ILE HG22 H 1 0.879 0.020 . 1 . . . A 5 ILE HG22 . 25350 1 45 . 1 1 5 5 ILE HG23 H 1 0.879 0.020 . 1 . . . A 5 ILE HG23 . 25350 1 46 . 1 1 5 5 ILE HD11 H 1 0.853 0.020 . 1 . . . A 5 ILE HD11 . 25350 1 47 . 1 1 5 5 ILE HD12 H 1 0.853 0.020 . 1 . . . A 5 ILE HD12 . 25350 1 48 . 1 1 5 5 ILE HD13 H 1 0.853 0.020 . 1 . . . A 5 ILE HD13 . 25350 1 49 . 1 1 5 5 ILE C C 13 176.192 0.300 . 1 . . . A 5 ILE C . 25350 1 50 . 1 1 5 5 ILE CA C 13 61.082 0.300 . 1 . . . A 5 ILE CA . 25350 1 51 . 1 1 5 5 ILE CB C 13 38.567 0.300 . 1 . . . A 5 ILE CB . 25350 1 52 . 1 1 5 5 ILE CG1 C 13 27.300 0.300 . 1 . . . A 5 ILE CG1 . 25350 1 53 . 1 1 5 5 ILE CG2 C 13 17.394 0.300 . 1 . . . A 5 ILE CG2 . 25350 1 54 . 1 1 5 5 ILE CD1 C 13 12.607 0.300 . 1 . . . A 5 ILE CD1 . 25350 1 55 . 1 1 5 5 ILE N N 15 121.708 0.300 . 1 . . . A 5 ILE N . 25350 1 56 . 1 1 6 6 VAL H H 1 8.276 0.020 . 1 . . . A 6 VAL H . 25350 1 57 . 1 1 6 6 VAL HA H 1 4.143 0.020 . 1 . . . A 6 VAL HA . 25350 1 58 . 1 1 6 6 VAL HB H 1 1.975 0.020 . 1 . . . A 6 VAL HB . 25350 1 59 . 1 1 6 6 VAL HG11 H 1 0.918 0.020 . 1 . . . A 6 VAL HG11 . 25350 1 60 . 1 1 6 6 VAL HG12 H 1 0.918 0.020 . 1 . . . A 6 VAL HG12 . 25350 1 61 . 1 1 6 6 VAL HG13 H 1 0.918 0.020 . 1 . . . A 6 VAL HG13 . 25350 1 62 . 1 1 6 6 VAL C C 13 175.804 0.300 . 1 . . . A 6 VAL C . 25350 1 63 . 1 1 6 6 VAL CA C 13 62.102 0.300 . 1 . . . A 6 VAL CA . 25350 1 64 . 1 1 6 6 VAL CB C 13 32.651 0.300 . 1 . . . A 6 VAL CB . 25350 1 65 . 1 1 6 6 VAL CG1 C 13 20.792 0.300 . 1 . . . A 6 VAL CG1 . 25350 1 66 . 1 1 6 6 VAL N N 15 125.784 0.300 . 1 . . . A 6 VAL N . 25350 1 67 . 1 1 7 7 VAL H H 1 8.373 0.020 . 1 . . . A 7 VAL H . 25350 1 68 . 1 1 7 7 VAL HA H 1 4.139 0.020 . 1 . . . A 7 VAL HA . 25350 1 69 . 1 1 7 7 VAL HB H 1 2.040 0.020 . 1 . . . A 7 VAL HB . 25350 1 70 . 1 1 7 7 VAL HG11 H 1 0.930 0.020 . 1 . . . A 7 VAL HG11 . 25350 1 71 . 1 1 7 7 VAL HG12 H 1 0.930 0.020 . 1 . . . A 7 VAL HG12 . 25350 1 72 . 1 1 7 7 VAL HG13 H 1 0.930 0.020 . 1 . . . A 7 VAL HG13 . 25350 1 73 . 1 1 7 7 VAL HG21 H 1 0.921 0.020 . 1 . . . A 7 VAL HG21 . 25350 1 74 . 1 1 7 7 VAL HG22 H 1 0.921 0.020 . 1 . . . A 7 VAL HG22 . 25350 1 75 . 1 1 7 7 VAL HG23 H 1 0.921 0.020 . 1 . . . A 7 VAL HG23 . 25350 1 76 . 1 1 7 7 VAL C C 13 176.092 0.300 . 1 . . . A 7 VAL C . 25350 1 77 . 1 1 7 7 VAL CA C 13 62.148 0.300 . 1 . . . A 7 VAL CA . 25350 1 78 . 1 1 7 7 VAL CB C 13 32.425 0.300 . 1 . . . A 7 VAL CB . 25350 1 79 . 1 1 7 7 VAL CG1 C 13 20.965 0.300 . 1 . . . A 7 VAL CG1 . 25350 1 80 . 1 1 7 7 VAL CG2 C 13 20.476 0.300 . 1 . . . A 7 VAL CG2 . 25350 1 81 . 1 1 7 7 VAL N N 15 125.834 0.300 . 1 . . . A 7 VAL N . 25350 1 82 . 1 1 8 8 GLY H H 1 8.329 0.020 . 1 . . . A 8 GLY H . 25350 1 83 . 1 1 8 8 GLY HA2 H 1 4.154 0.020 . 1 . . . A 8 GLY HA2 . 25350 1 84 . 1 1 8 8 GLY HA3 H 1 3.994 0.020 . 1 . . . A 8 GLY HA3 . 25350 1 85 . 1 1 8 8 GLY C C 13 170.954 0.300 . 1 . . . A 8 GLY C . 25350 1 86 . 1 1 8 8 GLY CA C 13 44.175 0.300 . 1 . . . A 8 GLY CA . 25350 1 87 . 1 1 8 8 GLY N N 15 113.433 0.300 . 1 . . . A 8 GLY N . 25350 1 88 . 1 1 9 9 PRO C C 13 174.457 0.300 . 1 . . . A 9 PRO C . 25350 1 89 . 1 1 9 9 PRO CA C 13 61.279 0.300 . 1 . . . A 9 PRO CA . 25350 1 90 . 1 1 9 9 PRO CB C 13 30.772 0.300 . 1 . . . A 9 PRO CB . 25350 1 91 . 1 1 9 9 PRO N N 15 135.780 0.300 . 1 . . . A 9 PRO N . 25350 1 92 . 1 1 10 10 PRO C C 13 174.298 0.300 . 1 . . . A 10 PRO C . 25350 1 93 . 1 1 10 10 PRO CA C 13 61.352 0.300 . 1 . . . A 10 PRO CA . 25350 1 94 . 1 1 10 10 PRO CB C 13 30.301 0.300 . 1 . . . A 10 PRO CB . 25350 1 95 . 1 1 10 10 PRO N N 15 136.956 0.300 . 1 . . . A 10 PRO N . 25350 1 96 . 1 1 11 11 PRO C C 13 174.799 0.300 . 1 . . . A 11 PRO C . 25350 1 97 . 1 1 11 11 PRO CA C 13 61.382 0.300 . 1 . . . A 11 PRO CA . 25350 1 98 . 1 1 11 11 PRO CB C 13 30.856 0.300 . 1 . . . A 11 PRO CB . 25350 1 99 . 1 1 11 11 PRO N N 15 136.418 0.300 . 1 . . . A 11 PRO N . 25350 1 100 . 1 1 12 12 PRO HA H 1 4.420 0.020 . 1 . . . A 12 PRO HA . 25350 1 101 . 1 1 12 12 PRO HB2 H 1 2.262 0.020 . 1 . . . A 12 PRO HB2 . 25350 1 102 . 1 1 12 12 PRO HB3 H 1 1.848 0.020 . 1 . . . A 12 PRO HB3 . 25350 1 103 . 1 1 12 12 PRO HG2 H 1 1.996 0.020 . 1 . . . A 12 PRO HG2 . 25350 1 104 . 1 1 12 12 PRO HG3 H 1 1.976 0.020 . 1 . . . A 12 PRO HG3 . 25350 1 105 . 1 1 12 12 PRO HD2 H 1 3.790 0.020 . 1 . . . A 12 PRO HD2 . 25350 1 106 . 1 1 12 12 PRO HD3 H 1 3.599 0.020 . 1 . . . A 12 PRO HD3 . 25350 1 107 . 1 1 12 12 PRO C C 13 177.050 0.300 . 1 . . . A 12 PRO C . 25350 1 108 . 1 1 12 12 PRO CA C 13 62.755 0.300 . 1 . . . A 12 PRO CA . 25350 1 109 . 1 1 12 12 PRO CB C 13 31.867 0.300 . 1 . . . A 12 PRO CB . 25350 1 110 . 1 1 12 12 PRO CG C 13 27.319 0.300 . 1 . . . A 12 PRO CG . 25350 1 111 . 1 1 12 12 PRO CD C 13 50.243 0.300 . 1 . . . A 12 PRO CD . 25350 1 112 . 1 1 12 12 PRO N N 15 135.006 0.300 . 1 . . . A 12 PRO N . 25350 1 113 . 1 1 13 13 LEU H H 1 8.390 0.020 . 1 . . . A 13 LEU H . 25350 1 114 . 1 1 13 13 LEU HA H 1 4.318 0.020 . 1 . . . A 13 LEU HA . 25350 1 115 . 1 1 13 13 LEU HB2 H 1 1.643 0.020 . 1 . . . A 13 LEU HB2 . 25350 1 116 . 1 1 13 13 LEU HB3 H 1 1.578 0.020 . 1 . . . A 13 LEU HB3 . 25350 1 117 . 1 1 13 13 LEU HG H 1 1.650 0.020 . 1 . . . A 13 LEU HG . 25350 1 118 . 1 1 13 13 LEU HD11 H 1 0.905 0.020 . 1 . . . A 13 LEU HD11 . 25350 1 119 . 1 1 13 13 LEU HD12 H 1 0.905 0.020 . 1 . . . A 13 LEU HD12 . 25350 1 120 . 1 1 13 13 LEU HD13 H 1 0.905 0.020 . 1 . . . A 13 LEU HD13 . 25350 1 121 . 1 1 13 13 LEU HD21 H 1 0.877 0.020 . 1 . . . A 13 LEU HD21 . 25350 1 122 . 1 1 13 13 LEU HD22 H 1 0.877 0.020 . 1 . . . A 13 LEU HD22 . 25350 1 123 . 1 1 13 13 LEU HD23 H 1 0.877 0.020 . 1 . . . A 13 LEU HD23 . 25350 1 124 . 1 1 13 13 LEU C C 13 177.667 0.300 . 1 . . . A 13 LEU C . 25350 1 125 . 1 1 13 13 LEU CA C 13 55.337 0.300 . 1 . . . A 13 LEU CA . 25350 1 126 . 1 1 13 13 LEU CB C 13 42.132 0.300 . 1 . . . A 13 LEU CB . 25350 1 127 . 1 1 13 13 LEU CG C 13 27.002 0.300 . 1 . . . A 13 LEU CG . 25350 1 128 . 1 1 13 13 LEU CD1 C 13 24.788 0.300 . 1 . . . A 13 LEU CD1 . 25350 1 129 . 1 1 13 13 LEU CD2 C 13 23.394 0.300 . 1 . . . A 13 LEU CD2 . 25350 1 130 . 1 1 13 13 LEU N N 15 122.277 0.300 . 1 . . . A 13 LEU N . 25350 1 131 . 1 1 14 14 SER H H 1 8.314 0.020 . 1 . . . A 14 SER H . 25350 1 132 . 1 1 14 14 SER HA H 1 4.429 0.020 . 1 . . . A 14 SER HA . 25350 1 133 . 1 1 14 14 SER HB2 H 1 3.845 0.020 . 1 . . . A 14 SER HB2 . 25350 1 134 . 1 1 14 14 SER HB3 H 1 3.845 0.020 . 1 . . . A 14 SER HB3 . 25350 1 135 . 1 1 14 14 SER C C 13 175.007 0.300 . 1 . . . A 14 SER C . 25350 1 136 . 1 1 14 14 SER CA C 13 58.305 0.300 . 1 . . . A 14 SER CA . 25350 1 137 . 1 1 14 14 SER CB C 13 63.438 0.300 . 1 . . . A 14 SER CB . 25350 1 138 . 1 1 14 14 SER N N 15 116.217 0.300 . 1 . . . A 14 SER N . 25350 1 139 . 1 1 15 15 GLY H H 1 8.436 0.020 . 1 . . . A 15 GLY H . 25350 1 140 . 1 1 15 15 GLY HA2 H 1 3.986 0.020 . 1 . . . A 15 GLY HA2 . 25350 1 141 . 1 1 15 15 GLY HA3 H 1 3.938 0.020 . 1 . . . A 15 GLY HA3 . 25350 1 142 . 1 1 15 15 GLY C C 13 174.457 0.300 . 1 . . . A 15 GLY C . 25350 1 143 . 1 1 15 15 GLY CA C 13 45.504 0.300 . 1 . . . A 15 GLY CA . 25350 1 144 . 1 1 15 15 GLY N N 15 110.768 0.300 . 1 . . . A 15 GLY N . 25350 1 145 . 1 1 16 16 GLY H H 1 8.237 0.020 . 1 . . . A 16 GLY H . 25350 1 146 . 1 1 16 16 GLY HA2 H 1 3.960 0.020 . 1 . . . A 16 GLY HA2 . 25350 1 147 . 1 1 16 16 GLY HA3 H 1 3.902 0.020 . 1 . . . A 16 GLY HA3 . 25350 1 148 . 1 1 16 16 GLY C C 13 173.717 0.300 . 1 . . . A 16 GLY C . 25350 1 149 . 1 1 16 16 GLY CA C 13 44.746 0.300 . 1 . . . A 16 GLY CA . 25350 1 150 . 1 1 16 16 GLY N N 15 108.501 0.300 . 1 . . . A 16 GLY N . 25350 1 151 . 1 1 17 17 LEU H H 1 8.180 0.020 . 1 . . . A 17 LEU H . 25350 1 152 . 1 1 17 17 LEU HA H 1 4.572 0.020 . 1 . . . A 17 LEU HA . 25350 1 153 . 1 1 17 17 LEU HB2 H 1 1.587 0.020 . 1 . . . A 17 LEU HB2 . 25350 1 154 . 1 1 17 17 LEU HB3 H 1 1.587 0.020 . 1 . . . A 17 LEU HB3 . 25350 1 155 . 1 1 17 17 LEU HG H 1 1.659 0.020 . 1 . . . A 17 LEU HG . 25350 1 156 . 1 1 17 17 LEU HD11 H 1 0.920 0.020 . 1 . . . A 17 LEU HD11 . 25350 1 157 . 1 1 17 17 LEU HD12 H 1 0.920 0.020 . 1 . . . A 17 LEU HD12 . 25350 1 158 . 1 1 17 17 LEU HD13 H 1 0.920 0.020 . 1 . . . A 17 LEU HD13 . 25350 1 159 . 1 1 17 17 LEU HD21 H 1 0.875 0.020 . 1 . . . A 17 LEU HD21 . 25350 1 160 . 1 1 17 17 LEU HD22 H 1 0.875 0.020 . 1 . . . A 17 LEU HD22 . 25350 1 161 . 1 1 17 17 LEU HD23 H 1 0.875 0.020 . 1 . . . A 17 LEU HD23 . 25350 1 162 . 1 1 17 17 LEU C C 13 175.465 0.300 . 1 . . . A 17 LEU C . 25350 1 163 . 1 1 17 17 LEU CA C 13 53.334 0.300 . 1 . . . A 17 LEU CA . 25350 1 164 . 1 1 17 17 LEU CB C 13 41.527 0.300 . 1 . . . A 17 LEU CB . 25350 1 165 . 1 1 17 17 LEU CG C 13 26.592 0.300 . 1 . . . A 17 LEU CG . 25350 1 166 . 1 1 17 17 LEU CD1 C 13 24.970 0.300 . 1 . . . A 17 LEU CD1 . 25350 1 167 . 1 1 17 17 LEU CD2 C 13 23.004 0.300 . 1 . . . A 17 LEU CD2 . 25350 1 168 . 1 1 17 17 LEU N N 15 122.717 0.300 . 1 . . . A 17 LEU N . 25350 1 169 . 1 1 18 18 PRO HA H 1 4.425 0.020 . 1 . . . A 18 PRO HA . 25350 1 170 . 1 1 18 18 PRO HB2 H 1 2.274 0.020 . 1 . . . A 18 PRO HB2 . 25350 1 171 . 1 1 18 18 PRO HB3 H 1 1.924 0.020 . 1 . . . A 18 PRO HB3 . 25350 1 172 . 1 1 18 18 PRO HG2 H 1 2.090 0.020 . 1 . . . A 18 PRO HG2 . 25350 1 173 . 1 1 18 18 PRO HG3 H 1 1.990 0.020 . 1 . . . A 18 PRO HG3 . 25350 1 174 . 1 1 18 18 PRO HD2 H 1 3.788 0.020 . 1 . . . A 18 PRO HD2 . 25350 1 175 . 1 1 18 18 PRO HD3 H 1 3.788 0.020 . 1 . . . A 18 PRO HD3 . 25350 1 176 . 1 1 18 18 PRO C C 13 177.505 0.300 . 1 . . . A 18 PRO C . 25350 1 177 . 1 1 18 18 PRO CA C 13 63.535 0.300 . 1 . . . A 18 PRO CA . 25350 1 178 . 1 1 18 18 PRO CB C 13 31.827 0.300 . 1 . . . A 18 PRO CB . 25350 1 179 . 1 1 18 18 PRO CG C 13 27.414 0.300 . 1 . . . A 18 PRO CG . 25350 1 180 . 1 1 18 18 PRO CD C 13 50.571 0.300 . 1 . . . A 18 PRO CD . 25350 1 181 . 1 1 18 18 PRO N N 15 136.735 0.300 . 1 . . . A 18 PRO N . 25350 1 182 . 1 1 19 19 GLY H H 1 8.614 0.020 . 1 . . . A 19 GLY H . 25350 1 183 . 1 1 19 19 GLY HA2 H 1 3.998 0.020 . 1 . . . A 19 GLY HA2 . 25350 1 184 . 1 1 19 19 GLY HA3 H 1 3.967 0.020 . 1 . . . A 19 GLY HA3 . 25350 1 185 . 1 1 19 19 GLY C C 13 174.710 0.300 . 1 . . . A 19 GLY C . 25350 1 186 . 1 1 19 19 GLY CA C 13 45.378 0.300 . 1 . . . A 19 GLY CA . 25350 1 187 . 1 1 19 19 GLY N N 15 109.845 0.300 . 1 . . . A 19 GLY N . 25350 1 188 . 1 1 20 20 THR H H 1 8.011 0.020 . 1 . . . A 20 THR H . 25350 1 189 . 1 1 20 20 THR HA H 1 4.362 0.020 . 1 . . . A 20 THR HA . 25350 1 190 . 1 1 20 20 THR HB H 1 4.272 0.020 . 1 . . . A 20 THR HB . 25350 1 191 . 1 1 20 20 THR HG21 H 1 1.188 0.020 . 1 . . . A 20 THR HG21 . 25350 1 192 . 1 1 20 20 THR HG22 H 1 1.188 0.020 . 1 . . . A 20 THR HG22 . 25350 1 193 . 1 1 20 20 THR HG23 H 1 1.188 0.020 . 1 . . . A 20 THR HG23 . 25350 1 194 . 1 1 20 20 THR C C 13 174.913 0.300 . 1 . . . A 20 THR C . 25350 1 195 . 1 1 20 20 THR CA C 13 61.852 0.300 . 1 . . . A 20 THR CA . 25350 1 196 . 1 1 20 20 THR CB C 13 69.803 0.300 . 1 . . . A 20 THR CB . 25350 1 197 . 1 1 20 20 THR CG2 C 13 21.486 0.300 . 1 . . . A 20 THR CG2 . 25350 1 198 . 1 1 20 20 THR N N 15 112.697 0.300 . 1 . . . A 20 THR N . 25350 1 199 . 1 1 21 21 GLU H H 1 8.735 0.020 . 1 . . . A 21 GLU H . 25350 1 200 . 1 1 21 21 GLU HA H 1 4.282 0.020 . 1 . . . A 21 GLU HA . 25350 1 201 . 1 1 21 21 GLU HB2 H 1 1.944 0.020 . 1 . . . A 21 GLU HB2 . 25350 1 202 . 1 1 21 21 GLU HB3 H 1 2.038 0.020 . 1 . . . A 21 GLU HB3 . 25350 1 203 . 1 1 21 21 GLU HG2 H 1 2.273 0.020 . 1 . . . A 21 GLU HG2 . 25350 1 204 . 1 1 21 21 GLU C C 13 176.296 0.300 . 1 . . . A 21 GLU C . 25350 1 205 . 1 1 21 21 GLU CA C 13 56.965 0.300 . 1 . . . A 21 GLU CA . 25350 1 206 . 1 1 21 21 GLU CB C 13 29.941 0.300 . 1 . . . A 21 GLU CB . 25350 1 207 . 1 1 21 21 GLU CG C 13 36.077 0.300 . 1 . . . A 21 GLU CG . 25350 1 208 . 1 1 21 21 GLU N N 15 123.233 0.300 . 1 . . . A 21 GLU N . 25350 1 209 . 1 1 22 22 ASN H H 1 8.511 0.020 . 1 . . . A 22 ASN H . 25350 1 210 . 1 1 22 22 ASN HA H 1 4.735 0.020 . 1 . . . A 22 ASN HA . 25350 1 211 . 1 1 22 22 ASN HB2 H 1 2.843 0.020 . 1 . . . A 22 ASN HB2 . 25350 1 212 . 1 1 22 22 ASN HB3 H 1 2.749 0.020 . 1 . . . A 22 ASN HB3 . 25350 1 213 . 1 1 22 22 ASN C C 13 175.406 0.300 . 1 . . . A 22 ASN C . 25350 1 214 . 1 1 22 22 ASN CA C 13 53.283 0.300 . 1 . . . A 22 ASN CA . 25350 1 215 . 1 1 22 22 ASN CB C 13 38.855 0.300 . 1 . . . A 22 ASN CB . 25350 1 216 . 1 1 22 22 ASN N N 15 119.605 0.300 . 1 . . . A 22 ASN N . 25350 1 217 . 1 1 23 23 SER H H 1 8.335 0.020 . 1 . . . A 23 SER H . 25350 1 218 . 1 1 23 23 SER HA H 1 4.411 0.020 . 1 . . . A 23 SER HA . 25350 1 219 . 1 1 23 23 SER HB2 H 1 3.927 0.020 . 1 . . . A 23 SER HB2 . 25350 1 220 . 1 1 23 23 SER HB3 H 1 3.839 0.020 . 1 . . . A 23 SER HB3 . 25350 1 221 . 1 1 23 23 SER C C 13 174.597 0.300 . 1 . . . A 23 SER C . 25350 1 222 . 1 1 23 23 SER CA C 13 58.700 0.300 . 1 . . . A 23 SER CA . 25350 1 223 . 1 1 23 23 SER CB C 13 63.811 0.300 . 1 . . . A 23 SER CB . 25350 1 224 . 1 1 23 23 SER N N 15 116.810 0.300 . 1 . . . A 23 SER N . 25350 1 225 . 1 1 24 24 ASP H H 1 8.456 0.020 . 1 . . . A 24 ASP H . 25350 1 226 . 1 1 24 24 ASP HA H 1 4.574 0.020 . 1 . . . A 24 ASP HA . 25350 1 227 . 1 1 24 24 ASP HB2 H 1 2.701 0.020 . 1 . . . A 24 ASP HB2 . 25350 1 228 . 1 1 24 24 ASP HB3 H 1 2.647 0.020 . 1 . . . A 24 ASP HB3 . 25350 1 229 . 1 1 24 24 ASP C C 13 176.498 0.300 . 1 . . . A 24 ASP C . 25350 1 230 . 1 1 24 24 ASP CA C 13 54.905 0.300 . 1 . . . A 24 ASP CA . 25350 1 231 . 1 1 24 24 ASP CB C 13 40.902 0.300 . 1 . . . A 24 ASP CB . 25350 1 232 . 1 1 24 24 ASP N N 15 122.299 0.300 . 1 . . . A 24 ASP N . 25350 1 233 . 1 1 25 25 GLN H H 1 8.188 0.020 . 1 . . . A 25 GLN H . 25350 1 234 . 1 1 25 25 GLN HA H 1 4.237 0.020 . 1 . . . A 25 GLN HA . 25350 1 235 . 1 1 25 25 GLN HB2 H 1 2.117 0.020 . 1 . . . A 25 GLN HB2 . 25350 1 236 . 1 1 25 25 GLN HB3 H 1 1.970 0.020 . 1 . . . A 25 GLN HB3 . 25350 1 237 . 1 1 25 25 GLN HG2 H 1 2.356 0.020 . 1 . . . A 25 GLN HG2 . 25350 1 238 . 1 1 25 25 GLN HE21 H 1 6.852 0.020 . 1 . . . A 25 GLN HE21 . 25350 1 239 . 1 1 25 25 GLN C C 13 176.011 0.300 . 1 . . . A 25 GLN C . 25350 1 240 . 1 1 25 25 GLN CA C 13 56.173 0.300 . 1 . . . A 25 GLN CA . 25350 1 241 . 1 1 25 25 GLN CB C 13 29.127 0.300 . 1 . . . A 25 GLN CB . 25350 1 242 . 1 1 25 25 GLN CG C 13 33.792 0.300 . 1 . . . A 25 GLN CG . 25350 1 243 . 1 1 25 25 GLN N N 15 120.032 0.300 . 1 . . . A 25 GLN N . 25350 1 244 . 1 1 25 25 GLN NE2 N 15 112.542 0.300 . 1 . . . A 25 GLN NE2 . 25350 1 245 . 1 1 26 26 ALA H H 1 8.242 0.020 . 1 . . . A 26 ALA H . 25350 1 246 . 1 1 26 26 ALA HA H 1 4.266 0.020 . 1 . . . A 26 ALA HA . 25350 1 247 . 1 1 26 26 ALA HB1 H 1 1.377 0.020 . 1 . . . A 26 ALA HB1 . 25350 1 248 . 1 1 26 26 ALA HB2 H 1 1.377 0.020 . 1 . . . A 26 ALA HB2 . 25350 1 249 . 1 1 26 26 ALA HB3 H 1 1.377 0.020 . 1 . . . A 26 ALA HB3 . 25350 1 250 . 1 1 26 26 ALA C C 13 178.001 0.300 . 1 . . . A 26 ALA C . 25350 1 251 . 1 1 26 26 ALA CA C 13 52.623 0.300 . 1 . . . A 26 ALA CA . 25350 1 252 . 1 1 26 26 ALA CB C 13 18.752 0.300 . 1 . . . A 26 ALA CB . 25350 1 253 . 1 1 26 26 ALA N N 15 124.260 0.300 . 1 . . . A 26 ALA N . 25350 1 254 . 1 1 27 27 ARG H H 1 8.206 0.020 . 1 . . . A 27 ARG H . 25350 1 255 . 1 1 27 27 ARG HA H 1 4.293 0.020 . 1 . . . A 27 ARG HA . 25350 1 256 . 1 1 27 27 ARG HB2 H 1 1.840 0.020 . 1 . . . A 27 ARG HB2 . 25350 1 257 . 1 1 27 27 ARG HG2 H 1 1.639 0.020 . 1 . . . A 27 ARG HG2 . 25350 1 258 . 1 1 27 27 ARG HD2 H 1 3.148 0.020 . 1 . . . A 27 ARG HD2 . 25350 1 259 . 1 1 27 27 ARG C C 13 176.263 0.300 . 1 . . . A 27 ARG C . 25350 1 260 . 1 1 27 27 ARG CA C 13 56.166 0.300 . 1 . . . A 27 ARG CA . 25350 1 261 . 1 1 27 27 ARG CB C 13 30.610 0.300 . 1 . . . A 27 ARG CB . 25350 1 262 . 1 1 27 27 ARG CG C 13 27.064 0.300 . 1 . . . A 27 ARG CG . 25350 1 263 . 1 1 27 27 ARG CD C 13 43.414 0.300 . 1 . . . A 27 ARG CD . 25350 1 264 . 1 1 27 27 ARG N N 15 120.165 0.300 . 1 . . . A 27 ARG N . 25350 1 265 . 1 1 28 28 ASP H H 1 8.318 0.020 . 1 . . . A 28 ASP H . 25350 1 266 . 1 1 28 28 ASP HA H 1 4.578 0.020 . 1 . . . A 28 ASP HA . 25350 1 267 . 1 1 28 28 ASP HB2 H 1 2.708 0.020 . 1 . . . A 28 ASP HB2 . 25350 1 268 . 1 1 28 28 ASP HB3 H 1 2.657 0.020 . 1 . . . A 28 ASP HB3 . 25350 1 269 . 1 1 28 28 ASP C C 13 176.867 0.300 . 1 . . . A 28 ASP C . 25350 1 270 . 1 1 28 28 ASP CA C 13 54.304 0.300 . 1 . . . A 28 ASP CA . 25350 1 271 . 1 1 28 28 ASP CB C 13 40.980 0.300 . 1 . . . A 28 ASP CB . 25350 1 272 . 1 1 28 28 ASP N N 15 120.786 0.300 . 1 . . . A 28 ASP N . 25350 1 273 . 1 1 29 29 GLY H H 1 8.381 0.020 . 1 . . . A 29 GLY H . 25350 1 274 . 1 1 29 29 GLY HA2 H 1 4.013 0.020 . 1 . . . A 29 GLY HA2 . 25350 1 275 . 1 1 29 29 GLY HA3 H 1 3.962 0.020 . 1 . . . A 29 GLY HA3 . 25350 1 276 . 1 1 29 29 GLY C C 13 174.550 0.300 . 1 . . . A 29 GLY C . 25350 1 277 . 1 1 29 29 GLY CA C 13 45.371 0.300 . 1 . . . A 29 GLY CA . 25350 1 278 . 1 1 29 29 GLY N N 15 109.645 0.300 . 1 . . . A 29 GLY N . 25350 1 279 . 1 1 30 30 THR H H 1 8.118 0.020 . 1 . . . A 30 THR H . 25350 1 280 . 1 1 30 30 THR HA H 1 4.279 0.020 . 1 . . . A 30 THR HA . 25350 1 281 . 1 1 30 30 THR HB H 1 4.178 0.020 . 1 . . . A 30 THR HB . 25350 1 282 . 1 1 30 30 THR HG21 H 1 1.186 0.020 . 1 . . . A 30 THR HG21 . 25350 1 283 . 1 1 30 30 THR HG22 H 1 1.186 0.020 . 1 . . . A 30 THR HG22 . 25350 1 284 . 1 1 30 30 THR HG23 H 1 1.186 0.020 . 1 . . . A 30 THR HG23 . 25350 1 285 . 1 1 30 30 THR C C 13 174.550 0.300 . 1 . . . A 30 THR C . 25350 1 286 . 1 1 30 30 THR CA C 13 62.197 0.300 . 1 . . . A 30 THR CA . 25350 1 287 . 1 1 30 30 THR CB C 13 69.834 0.300 . 1 . . . A 30 THR CB . 25350 1 288 . 1 1 30 30 THR CG2 C 13 21.615 0.300 . 1 . . . A 30 THR CG2 . 25350 1 289 . 1 1 30 30 THR N N 15 113.478 0.300 . 1 . . . A 30 THR N . 25350 1 290 . 1 1 31 31 LEU H H 1 8.164 0.020 . 1 . . . A 31 LEU H . 25350 1 291 . 1 1 31 31 LEU HA H 1 4.605 0.020 . 1 . . . A 31 LEU HA . 25350 1 292 . 1 1 31 31 LEU HB2 H 1 1.580 0.020 . 1 . . . A 31 LEU HB2 . 25350 1 293 . 1 1 31 31 LEU HB3 H 1 1.433 0.020 . 1 . . . A 31 LEU HB3 . 25350 1 294 . 1 1 31 31 LEU HG H 1 1.650 0.020 . 1 . . . A 31 LEU HG . 25350 1 295 . 1 1 31 31 LEU HD11 H 1 0.910 0.020 . 1 . . . A 31 LEU HD11 . 25350 1 296 . 1 1 31 31 LEU HD12 H 1 0.910 0.020 . 1 . . . A 31 LEU HD12 . 25350 1 297 . 1 1 31 31 LEU HD13 H 1 0.910 0.020 . 1 . . . A 31 LEU HD13 . 25350 1 298 . 1 1 31 31 LEU HD21 H 1 0.870 0.020 . 1 . . . A 31 LEU HD21 . 25350 1 299 . 1 1 31 31 LEU HD22 H 1 0.870 0.020 . 1 . . . A 31 LEU HD22 . 25350 1 300 . 1 1 31 31 LEU HD23 H 1 0.870 0.020 . 1 . . . A 31 LEU HD23 . 25350 1 301 . 1 1 31 31 LEU C C 13 175.354 0.300 . 1 . . . A 31 LEU C . 25350 1 302 . 1 1 31 31 LEU CA C 13 52.903 0.300 . 1 . . . A 31 LEU CA . 25350 1 303 . 1 1 31 31 LEU CB C 13 41.753 0.300 . 1 . . . A 31 LEU CB . 25350 1 304 . 1 1 31 31 LEU CG C 13 26.859 0.300 . 1 . . . A 31 LEU CG . 25350 1 305 . 1 1 31 31 LEU CD1 C 13 24.979 0.300 . 1 . . . A 31 LEU CD1 . 25350 1 306 . 1 1 31 31 LEU CD2 C 13 23.211 0.300 . 1 . . . A 31 LEU CD2 . 25350 1 307 . 1 1 31 31 LEU N N 15 125.438 0.300 . 1 . . . A 31 LEU N . 25350 1 308 . 1 1 32 32 PRO HA H 1 4.355 0.020 . 1 . . . A 32 PRO HA . 25350 1 309 . 1 1 32 32 PRO HB2 H 1 1.768 0.020 . 1 . . . A 32 PRO HB2 . 25350 1 310 . 1 1 32 32 PRO HB3 H 1 2.176 0.020 . 1 . . . A 32 PRO HB3 . 25350 1 311 . 1 1 32 32 PRO HG2 H 1 1.942 0.020 . 1 . . . A 32 PRO HG2 . 25350 1 312 . 1 1 32 32 PRO HD2 H 1 3.793 0.020 . 1 . . . A 32 PRO HD2 . 25350 1 313 . 1 1 32 32 PRO HD3 H 1 3.543 0.020 . 1 . . . A 32 PRO HD3 . 25350 1 314 . 1 1 32 32 PRO C C 13 176.448 0.300 . 1 . . . A 32 PRO C . 25350 1 315 . 1 1 32 32 PRO CA C 13 63.183 0.300 . 1 . . . A 32 PRO CA . 25350 1 316 . 1 1 32 32 PRO CB C 13 31.672 0.300 . 1 . . . A 32 PRO CB . 25350 1 317 . 1 1 32 32 PRO CG C 13 27.233 0.300 . 1 . . . A 32 PRO CG . 25350 1 318 . 1 1 32 32 PRO CD C 13 50.372 0.300 . 1 . . . A 32 PRO CD . 25350 1 319 . 1 1 32 32 PRO N N 15 135.635 0.300 . 1 . . . A 32 PRO N . 25350 1 320 . 1 1 33 33 TYR H H 1 8.099 0.020 . 1 . . . A 33 TYR H . 25350 1 321 . 1 1 33 33 TYR HA H 1 4.558 0.020 . 1 . . . A 33 TYR HA . 25350 1 322 . 1 1 33 33 TYR HB2 H 1 2.980 0.020 . 1 . . . A 33 TYR HB2 . 25350 1 323 . 1 1 33 33 TYR HB3 H 1 2.980 0.020 . 1 . . . A 33 TYR HB3 . 25350 1 324 . 1 1 33 33 TYR HD2 H 1 7.057 0.020 . 1 . . . A 33 TYR HD2 . 25350 1 325 . 1 1 33 33 TYR HE2 H 1 6.774 0.020 . 1 . . . A 33 TYR HE2 . 25350 1 326 . 1 1 33 33 TYR C C 13 175.914 0.300 . 1 . . . A 33 TYR C . 25350 1 327 . 1 1 33 33 TYR CA C 13 57.839 0.300 . 1 . . . A 33 TYR CA . 25350 1 328 . 1 1 33 33 TYR CB C 13 38.335 0.300 . 1 . . . A 33 TYR CB . 25350 1 329 . 1 1 33 33 TYR CD2 C 13 133.017 0.300 . 1 . . . A 33 TYR CD2 . 25350 1 330 . 1 1 33 33 TYR CE2 C 13 118.612 0.300 . 1 . . . A 33 TYR CE2 . 25350 1 331 . 1 1 33 33 TYR N N 15 119.769 0.300 . 1 . . . A 33 TYR N . 25350 1 332 . 1 1 34 34 THR H H 1 7.839 0.020 . 1 . . . A 34 THR H . 25350 1 333 . 1 1 34 34 THR HA H 1 4.258 0.020 . 1 . . . A 34 THR HA . 25350 1 334 . 1 1 34 34 THR HB H 1 4.179 0.020 . 1 . . . A 34 THR HB . 25350 1 335 . 1 1 34 34 THR HG21 H 1 1.125 0.020 . 1 . . . A 34 THR HG21 . 25350 1 336 . 1 1 34 34 THR HG22 H 1 1.125 0.020 . 1 . . . A 34 THR HG22 . 25350 1 337 . 1 1 34 34 THR HG23 H 1 1.125 0.020 . 1 . . . A 34 THR HG23 . 25350 1 338 . 1 1 34 34 THR C C 13 174.362 0.300 . 1 . . . A 34 THR C . 25350 1 339 . 1 1 34 34 THR CA C 13 61.462 0.300 . 1 . . . A 34 THR CA . 25350 1 340 . 1 1 34 34 THR CB C 13 70.050 0.300 . 1 . . . A 34 THR CB . 25350 1 341 . 1 1 34 34 THR CG2 C 13 21.476 0.300 . 1 . . . A 34 THR CG2 . 25350 1 342 . 1 1 34 34 THR N N 15 115.311 0.300 . 1 . . . A 34 THR N . 25350 1 343 . 1 1 35 35 LYS H H 1 8.205 0.020 . 1 . . . A 35 LYS H . 25350 1 344 . 1 1 35 35 LYS HA H 1 4.192 0.020 . 1 . . . A 35 LYS HA . 25350 1 345 . 1 1 35 35 LYS HB2 H 1 1.822 0.020 . 1 . . . A 35 LYS HB2 . 25350 1 346 . 1 1 35 35 LYS HB3 H 1 1.740 0.020 . 1 . . . A 35 LYS HB3 . 25350 1 347 . 1 1 35 35 LYS HG2 H 1 1.417 0.020 . 1 . . . A 35 LYS HG2 . 25350 1 348 . 1 1 35 35 LYS HD2 H 1 1.625 0.020 . 1 . . . A 35 LYS HD2 . 25350 1 349 . 1 1 35 35 LYS HD3 H 1 1.625 0.020 . 1 . . . A 35 LYS HD3 . 25350 1 350 . 1 1 35 35 LYS HE2 H 1 2.948 0.020 . 1 . . . A 35 LYS HE2 . 25350 1 351 . 1 1 35 35 LYS HE3 H 1 3.034 0.020 . 1 . . . A 35 LYS HE3 . 25350 1 352 . 1 1 35 35 LYS CA C 13 56.453 0.300 . 1 . . . A 35 LYS CA . 25350 1 353 . 1 1 35 35 LYS CB C 13 32.750 0.300 . 1 . . . A 35 LYS CB . 25350 1 354 . 1 1 35 35 LYS CG C 13 24.420 0.300 . 1 . . . A 35 LYS CG . 25350 1 355 . 1 1 35 35 LYS CD C 13 29.149 0.300 . 1 . . . A 35 LYS CD . 25350 1 356 . 1 1 35 35 LYS CE C 13 41.973 0.300 . 1 . . . A 35 LYS CE . 25350 1 357 . 1 1 35 35 LYS N N 15 122.839 0.300 . 1 . . . A 35 LYS N . 25350 1 358 . 1 1 36 36 ASP H H 1 7.999 0.020 . 1 . . . A 36 ASP H . 25350 1 359 . 1 1 36 36 ASP HA H 1 4.455 0.020 . 1 . . . A 36 ASP HA . 25350 1 360 . 1 1 36 36 ASP HB2 H 1 2.552 0.020 . 1 . . . A 36 ASP HB2 . 25350 1 361 . 1 1 36 36 ASP HB3 H 1 2.552 0.020 . 1 . . . A 36 ASP HB3 . 25350 1 362 . 1 1 36 36 ASP C C 13 178.037 0.300 . 1 . . . A 36 ASP C . 25350 1 363 . 1 1 36 36 ASP CA C 13 57.893 0.300 . 1 . . . A 36 ASP CA . 25350 1 364 . 1 1 36 36 ASP CB C 13 42.373 0.300 . 1 . . . A 36 ASP CB . 25350 1 365 . 1 1 37 37 ARG H H 1 8.917 0.020 . 1 . . . A 37 ARG H . 25350 1 366 . 1 1 37 37 ARG HA H 1 3.801 0.020 . 1 . . . A 37 ARG HA . 25350 1 367 . 1 1 37 37 ARG HB2 H 1 1.751 0.020 . 1 . . . A 37 ARG HB2 . 25350 1 368 . 1 1 37 37 ARG HB3 H 1 1.799 0.020 . 1 . . . A 37 ARG HB3 . 25350 1 369 . 1 1 37 37 ARG HG2 H 1 1.202 0.020 . 1 . . . A 37 ARG HG2 . 25350 1 370 . 1 1 37 37 ARG HD2 H 1 2.782 0.020 . 1 . . . A 37 ARG HD2 . 25350 1 371 . 1 1 37 37 ARG C C 13 178.008 0.300 . 1 . . . A 37 ARG C . 25350 1 372 . 1 1 37 37 ARG CA C 13 60.013 0.300 . 1 . . . A 37 ARG CA . 25350 1 373 . 1 1 37 37 ARG CB C 13 30.442 0.300 . 1 . . . A 37 ARG CB . 25350 1 374 . 1 1 37 37 ARG CG C 13 27.358 0.300 . 1 . . . A 37 ARG CG . 25350 1 375 . 1 1 37 37 ARG N N 15 118.703 0.300 . 1 . . . A 37 ARG N . 25350 1 376 . 1 1 38 38 PHE H H 1 7.572 0.020 . 1 . . . A 38 PHE H . 25350 1 377 . 1 1 38 38 PHE HA H 1 4.103 0.020 . 1 . . . A 38 PHE HA . 25350 1 378 . 1 1 38 38 PHE HB2 H 1 3.200 0.020 . 1 . . . A 38 PHE HB2 . 25350 1 379 . 1 1 38 38 PHE HB3 H 1 3.270 0.020 . 1 . . . A 38 PHE HB3 . 25350 1 380 . 1 1 38 38 PHE HD2 H 1 7.093 0.020 . 1 . . . A 38 PHE HD2 . 25350 1 381 . 1 1 38 38 PHE HE1 H 1 6.710 0.020 . 1 . . . A 38 PHE HE1 . 25350 1 382 . 1 1 38 38 PHE HE2 H 1 7.100 0.020 . 1 . . . A 38 PHE HE2 . 25350 1 383 . 1 1 38 38 PHE C C 13 178.384 0.300 . 1 . . . A 38 PHE C . 25350 1 384 . 1 1 38 38 PHE CA C 13 61.864 0.300 . 1 . . . A 38 PHE CA . 25350 1 385 . 1 1 38 38 PHE CB C 13 39.203 0.300 . 1 . . . A 38 PHE CB . 25350 1 386 . 1 1 38 38 PHE CD2 C 13 132.884 0.300 . 1 . . . A 38 PHE CD2 . 25350 1 387 . 1 1 38 38 PHE CE1 C 13 133.457 0.300 . 1 . . . A 38 PHE CE1 . 25350 1 388 . 1 1 38 38 PHE CE2 C 13 133.279 0.300 . 1 . . . A 38 PHE CE2 . 25350 1 389 . 1 1 38 38 PHE N N 15 117.884 0.300 . 1 . . . A 38 PHE N . 25350 1 390 . 1 1 39 39 TYR H H 1 7.776 0.020 . 1 . . . A 39 TYR H . 25350 1 391 . 1 1 39 39 TYR HA H 1 4.490 0.020 . 1 . . . A 39 TYR HA . 25350 1 392 . 1 1 39 39 TYR HB2 H 1 2.631 0.020 . 1 . . . A 39 TYR HB2 . 25350 1 393 . 1 1 39 39 TYR HB3 H 1 2.692 0.020 . 1 . . . A 39 TYR HB3 . 25350 1 394 . 1 1 39 39 TYR HD2 H 1 6.893 0.020 . 1 . . . A 39 TYR HD2 . 25350 1 395 . 1 1 39 39 TYR HE2 H 1 6.607 0.020 . 1 . . . A 39 TYR HE2 . 25350 1 396 . 1 1 39 39 TYR C C 13 179.544 0.300 . 1 . . . A 39 TYR C . 25350 1 397 . 1 1 39 39 TYR CA C 13 57.673 0.300 . 1 . . . A 39 TYR CA . 25350 1 398 . 1 1 39 39 TYR CB C 13 40.834 0.300 . 1 . . . A 39 TYR CB . 25350 1 399 . 1 1 39 39 TYR CD2 C 13 123.458 0.300 . 1 . . . A 39 TYR CD2 . 25350 1 400 . 1 1 39 39 TYR CE2 C 13 118.183 0.300 . 1 . . . A 39 TYR CE2 . 25350 1 401 . 1 1 39 39 TYR N N 15 117.866 0.300 . 1 . . . A 39 TYR N . 25350 1 402 . 1 1 40 40 LEU H H 1 8.987 0.020 . 1 . . . A 40 LEU H . 25350 1 403 . 1 1 40 40 LEU HA H 1 4.078 0.020 . 1 . . . A 40 LEU HA . 25350 1 404 . 1 1 40 40 LEU HB2 H 1 2.152 0.020 . 1 . . . A 40 LEU HB2 . 25350 1 405 . 1 1 40 40 LEU HB3 H 1 2.152 0.020 . 1 . . . A 40 LEU HB3 . 25350 1 406 . 1 1 40 40 LEU HG H 1 1.727 0.020 . 1 . . . A 40 LEU HG . 25350 1 407 . 1 1 40 40 LEU HD11 H 1 1.089 0.020 . 1 . . . A 40 LEU HD11 . 25350 1 408 . 1 1 40 40 LEU HD12 H 1 1.089 0.020 . 1 . . . A 40 LEU HD12 . 25350 1 409 . 1 1 40 40 LEU HD13 H 1 1.089 0.020 . 1 . . . A 40 LEU HD13 . 25350 1 410 . 1 1 40 40 LEU HD21 H 1 1.059 0.020 . 1 . . . A 40 LEU HD21 . 25350 1 411 . 1 1 40 40 LEU HD22 H 1 1.059 0.020 . 1 . . . A 40 LEU HD22 . 25350 1 412 . 1 1 40 40 LEU HD23 H 1 1.059 0.020 . 1 . . . A 40 LEU HD23 . 25350 1 413 . 1 1 40 40 LEU CA C 13 58.104 0.300 . 1 . . . A 40 LEU CA . 25350 1 414 . 1 1 40 40 LEU CB C 13 40.334 0.300 . 1 . . . A 40 LEU CB . 25350 1 415 . 1 1 40 40 LEU CG C 13 26.245 0.300 . 1 . . . A 40 LEU CG . 25350 1 416 . 1 1 40 40 LEU CD1 C 13 24.188 0.300 . 1 . . . A 40 LEU CD1 . 25350 1 417 . 1 1 40 40 LEU CD2 C 13 22.424 0.300 . 1 . . . A 40 LEU CD2 . 25350 1 418 . 1 1 40 40 LEU N N 15 119.124 0.300 . 1 . . . A 40 LEU N . 25350 1 419 . 1 1 41 41 GLN C C 13 173.826 0.300 . 1 . . . A 41 GLN C . 25350 1 420 . 1 1 41 41 GLN CA C 13 53.329 0.300 . 1 . . . A 41 GLN CA . 25350 1 421 . 1 1 41 41 GLN CB C 13 29.121 0.300 . 1 . . . A 41 GLN CB . 25350 1 422 . 1 1 42 42 PRO HA H 1 4.591 0.020 . 1 . . . A 42 PRO HA . 25350 1 423 . 1 1 42 42 PRO HB2 H 1 2.331 0.020 . 1 . . . A 42 PRO HB2 . 25350 1 424 . 1 1 42 42 PRO HB3 H 1 1.867 0.020 . 1 . . . A 42 PRO HB3 . 25350 1 425 . 1 1 42 42 PRO HG2 H 1 2.025 0.020 . 1 . . . A 42 PRO HG2 . 25350 1 426 . 1 1 42 42 PRO HD2 H 1 3.853 0.020 . 1 . . . A 42 PRO HD2 . 25350 1 427 . 1 1 42 42 PRO HD3 H 1 3.700 0.020 . 1 . . . A 42 PRO HD3 . 25350 1 428 . 1 1 42 42 PRO C C 13 176.576 0.300 . 1 . . . A 42 PRO C . 25350 1 429 . 1 1 42 42 PRO CA C 13 63.414 0.300 . 1 . . . A 42 PRO CA . 25350 1 430 . 1 1 42 42 PRO CB C 13 32.219 0.300 . 1 . . . A 42 PRO CB . 25350 1 431 . 1 1 42 42 PRO CG C 13 27.174 0.300 . 1 . . . A 42 PRO CG . 25350 1 432 . 1 1 42 42 PRO CD C 13 50.526 0.300 . 1 . . . A 42 PRO CD . 25350 1 433 . 1 1 42 42 PRO N N 15 138.337 0.300 . 1 . . . A 42 PRO N . 25350 1 434 . 1 1 43 43 LEU H H 1 8.436 0.020 . 1 . . . A 43 LEU H . 25350 1 435 . 1 1 43 43 LEU HA H 1 4.950 0.020 . 1 . . . A 43 LEU HA . 25350 1 436 . 1 1 43 43 LEU HB2 H 1 1.471 0.020 . 1 . . . A 43 LEU HB2 . 25350 1 437 . 1 1 43 43 LEU HB3 H 1 1.380 0.020 . 1 . . . A 43 LEU HB3 . 25350 1 438 . 1 1 43 43 LEU HG H 1 2.063 0.020 . 1 . . . A 43 LEU HG . 25350 1 439 . 1 1 43 43 LEU HD11 H 1 0.916 0.020 . 1 . . . A 43 LEU HD11 . 25350 1 440 . 1 1 43 43 LEU HD12 H 1 0.916 0.020 . 1 . . . A 43 LEU HD12 . 25350 1 441 . 1 1 43 43 LEU HD13 H 1 0.916 0.020 . 1 . . . A 43 LEU HD13 . 25350 1 442 . 1 1 43 43 LEU HD21 H 1 0.696 0.020 . 1 . . . A 43 LEU HD21 . 25350 1 443 . 1 1 43 43 LEU HD22 H 1 0.696 0.020 . 1 . . . A 43 LEU HD22 . 25350 1 444 . 1 1 43 43 LEU HD23 H 1 0.696 0.020 . 1 . . . A 43 LEU HD23 . 25350 1 445 . 1 1 43 43 LEU C C 13 174.668 0.300 . 1 . . . A 43 LEU C . 25350 1 446 . 1 1 43 43 LEU CA C 13 51.693 0.300 . 1 . . . A 43 LEU CA . 25350 1 447 . 1 1 43 43 LEU CB C 13 44.496 0.300 . 1 . . . A 43 LEU CB . 25350 1 448 . 1 1 43 43 LEU CG C 13 26.904 0.300 . 1 . . . A 43 LEU CG . 25350 1 449 . 1 1 43 43 LEU CD1 C 13 24.885 0.300 . 1 . . . A 43 LEU CD1 . 25350 1 450 . 1 1 43 43 LEU CD2 C 13 23.258 0.300 . 1 . . . A 43 LEU CD2 . 25350 1 451 . 1 1 43 43 LEU N N 15 123.140 0.300 . 1 . . . A 43 LEU N . 25350 1 452 . 1 1 44 44 PRO C C 13 175.261 0.300 . 1 . . . A 44 PRO C . 25350 1 453 . 1 1 44 44 PRO CA C 13 61.348 0.300 . 1 . . . A 44 PRO CA . 25350 1 454 . 1 1 44 44 PRO CB C 13 30.811 0.300 . 1 . . . A 44 PRO CB . 25350 1 455 . 1 1 44 44 PRO N N 15 133.601 0.300 . 1 . . . A 44 PRO N . 25350 1 456 . 1 1 45 45 PRO HA H 1 3.991 0.020 . 1 . . . A 45 PRO HA . 25350 1 457 . 1 1 45 45 PRO HB2 H 1 2.258 0.020 . 1 . . . A 45 PRO HB2 . 25350 1 458 . 1 1 45 45 PRO HB3 H 1 2.087 0.020 . 1 . . . A 45 PRO HB3 . 25350 1 459 . 1 1 45 45 PRO C C 13 178.342 0.300 . 1 . . . A 45 PRO C . 25350 1 460 . 1 1 45 45 PRO CA C 13 66.710 0.300 . 1 . . . A 45 PRO CA . 25350 1 461 . 1 1 45 45 PRO CB C 13 32.245 0.300 . 1 . . . A 45 PRO CB . 25350 1 462 . 1 1 45 45 PRO N N 15 133.441 0.300 . 1 . . . A 45 PRO N . 25350 1 463 . 1 1 46 46 THR H H 1 8.726 0.020 . 1 . . . A 46 THR H . 25350 1 464 . 1 1 46 46 THR HA H 1 3.987 0.020 . 1 . . . A 46 THR HA . 25350 1 465 . 1 1 46 46 THR HB H 1 4.171 0.020 . 1 . . . A 46 THR HB . 25350 1 466 . 1 1 46 46 THR HG21 H 1 1.269 0.020 . 1 . . . A 46 THR HG21 . 25350 1 467 . 1 1 46 46 THR HG22 H 1 1.269 0.020 . 1 . . . A 46 THR HG22 . 25350 1 468 . 1 1 46 46 THR HG23 H 1 1.269 0.020 . 1 . . . A 46 THR HG23 . 25350 1 469 . 1 1 46 46 THR C C 13 176.671 0.300 . 1 . . . A 46 THR C . 25350 1 470 . 1 1 46 46 THR CA C 13 66.476 0.300 . 1 . . . A 46 THR CA . 25350 1 471 . 1 1 46 46 THR CB C 13 67.881 0.300 . 1 . . . A 46 THR CB . 25350 1 472 . 1 1 46 46 THR CG2 C 13 22.006 0.300 . 1 . . . A 46 THR CG2 . 25350 1 473 . 1 1 46 46 THR N N 15 113.415 0.300 . 1 . . . A 46 THR N . 25350 1 474 . 1 1 47 47 GLU H H 1 7.788 0.020 . 1 . . . A 47 GLU H . 25350 1 475 . 1 1 47 47 GLU HA H 1 4.151 0.020 . 1 . . . A 47 GLU HA . 25350 1 476 . 1 1 47 47 GLU HB2 H 1 2.186 0.020 . 1 . . . A 47 GLU HB2 . 25350 1 477 . 1 1 47 47 GLU HB3 H 1 2.035 0.020 . 1 . . . A 47 GLU HB3 . 25350 1 478 . 1 1 47 47 GLU HG2 H 1 2.417 0.020 . 1 . . . A 47 GLU HG2 . 25350 1 479 . 1 1 47 47 GLU HG3 H 1 2.267 0.020 . 1 . . . A 47 GLU HG3 . 25350 1 480 . 1 1 47 47 GLU C C 13 179.288 0.300 . 1 . . . A 47 GLU C . 25350 1 481 . 1 1 47 47 GLU CA C 13 59.399 0.300 . 1 . . . A 47 GLU CA . 25350 1 482 . 1 1 47 47 GLU CB C 13 30.240 0.300 . 1 . . . A 47 GLU CB . 25350 1 483 . 1 1 47 47 GLU CG C 13 37.055 0.300 . 1 . . . A 47 GLU CG . 25350 1 484 . 1 1 47 47 GLU N N 15 122.656 0.300 . 1 . . . A 47 GLU N . 25350 1 485 . 1 1 48 48 ALA H H 1 9.216 0.020 . 1 . . . A 48 ALA H . 25350 1 486 . 1 1 48 48 ALA HA H 1 3.988 0.020 . 1 . . . A 48 ALA HA . 25350 1 487 . 1 1 48 48 ALA HB1 H 1 1.466 0.020 . 1 . . . A 48 ALA HB1 . 25350 1 488 . 1 1 48 48 ALA HB2 H 1 1.466 0.020 . 1 . . . A 48 ALA HB2 . 25350 1 489 . 1 1 48 48 ALA HB3 H 1 1.466 0.020 . 1 . . . A 48 ALA HB3 . 25350 1 490 . 1 1 48 48 ALA C C 13 179.169 0.300 . 1 . . . A 48 ALA C . 25350 1 491 . 1 1 48 48 ALA CA C 13 55.177 0.300 . 1 . . . A 48 ALA CA . 25350 1 492 . 1 1 48 48 ALA CB C 13 18.095 0.300 . 1 . . . A 48 ALA CB . 25350 1 493 . 1 1 48 48 ALA N N 15 125.745 0.300 . 1 . . . A 48 ALA N . 25350 1 494 . 1 1 49 49 ALA H H 1 7.876 0.020 . 1 . . . A 49 ALA H . 25350 1 495 . 1 1 49 49 ALA HA H 1 3.861 0.020 . 1 . . . A 49 ALA HA . 25350 1 496 . 1 1 49 49 ALA HB1 H 1 1.560 0.020 . 1 . . . A 49 ALA HB1 . 25350 1 497 . 1 1 49 49 ALA HB2 H 1 1.560 0.020 . 1 . . . A 49 ALA HB2 . 25350 1 498 . 1 1 49 49 ALA HB3 H 1 1.560 0.020 . 1 . . . A 49 ALA HB3 . 25350 1 499 . 1 1 49 49 ALA C C 13 178.795 0.300 . 1 . . . A 49 ALA C . 25350 1 500 . 1 1 49 49 ALA CA C 13 55.351 0.300 . 1 . . . A 49 ALA CA . 25350 1 501 . 1 1 49 49 ALA CB C 13 17.829 0.300 . 1 . . . A 49 ALA CB . 25350 1 502 . 1 1 49 49 ALA N N 15 118.860 0.300 . 1 . . . A 49 ALA N . 25350 1 503 . 1 1 50 50 GLN H H 1 7.077 0.020 . 1 . . . A 50 GLN H . 25350 1 504 . 1 1 50 50 GLN HA H 1 4.083 0.020 . 1 . . . A 50 GLN HA . 25350 1 505 . 1 1 50 50 GLN HB2 H 1 2.202 0.020 . 1 . . . A 50 GLN HB2 . 25350 1 506 . 1 1 50 50 GLN HB3 H 1 2.166 0.020 . 1 . . . A 50 GLN HB3 . 25350 1 507 . 1 1 50 50 GLN HG2 H 1 2.564 0.020 . 1 . . . A 50 GLN HG2 . 25350 1 508 . 1 1 50 50 GLN HE22 H 1 7.453 0.020 . 1 . . . A 50 GLN HE22 . 25350 1 509 . 1 1 50 50 GLN C C 13 178.779 0.300 . 1 . . . A 50 GLN C . 25350 1 510 . 1 1 50 50 GLN CA C 13 58.164 0.300 . 1 . . . A 50 GLN CA . 25350 1 511 . 1 1 50 50 GLN CB C 13 27.727 0.300 . 1 . . . A 50 GLN CB . 25350 1 512 . 1 1 50 50 GLN CG C 13 33.197 0.300 . 1 . . . A 50 GLN CG . 25350 1 513 . 1 1 50 50 GLN N N 15 114.588 0.300 . 1 . . . A 50 GLN N . 25350 1 514 . 1 1 51 51 ARG H H 1 8.050 0.020 . 1 . . . A 51 ARG H . 25350 1 515 . 1 1 51 51 ARG HA H 1 4.130 0.020 . 1 . . . A 51 ARG HA . 25350 1 516 . 1 1 51 51 ARG HB2 H 1 2.361 0.020 . 1 . . . A 51 ARG HB2 . 25350 1 517 . 1 1 51 51 ARG HG2 H 1 1.416 0.020 . 1 . . . A 51 ARG HG2 . 25350 1 518 . 1 1 51 51 ARG HG3 H 1 0.836 0.020 . 1 . . . A 51 ARG HG3 . 25350 1 519 . 1 1 51 51 ARG HD2 H 1 3.137 0.020 . 1 . . . A 51 ARG HD2 . 25350 1 520 . 1 1 51 51 ARG HD3 H 1 2.985 0.020 . 1 . . . A 51 ARG HD3 . 25350 1 521 . 1 1 51 51 ARG C C 13 178.701 0.300 . 1 . . . A 51 ARG C . 25350 1 522 . 1 1 51 51 ARG CA C 13 60.411 0.300 . 1 . . . A 51 ARG CA . 25350 1 523 . 1 1 51 51 ARG CB C 13 29.239 0.300 . 1 . . . A 51 ARG CB . 25350 1 524 . 1 1 51 51 ARG CG C 13 26.793 0.300 . 1 . . . A 51 ARG CG . 25350 1 525 . 1 1 51 51 ARG CD C 13 43.166 0.300 . 1 . . . A 51 ARG CD . 25350 1 526 . 1 1 51 51 ARG N N 15 122.658 0.300 . 1 . . . A 51 ARG N . 25350 1 527 . 1 1 52 52 ALA H H 1 8.776 0.020 . 1 . . . A 52 ALA H . 25350 1 528 . 1 1 52 52 ALA HA H 1 4.198 0.020 . 1 . . . A 52 ALA HA . 25350 1 529 . 1 1 52 52 ALA HB1 H 1 1.445 0.020 . 1 . . . A 52 ALA HB1 . 25350 1 530 . 1 1 52 52 ALA HB2 H 1 1.445 0.020 . 1 . . . A 52 ALA HB2 . 25350 1 531 . 1 1 52 52 ALA HB3 H 1 1.445 0.020 . 1 . . . A 52 ALA HB3 . 25350 1 532 . 1 1 52 52 ALA C C 13 179.455 0.300 . 1 . . . A 52 ALA C . 25350 1 533 . 1 1 52 52 ALA CA C 13 54.248 0.300 . 1 . . . A 52 ALA CA . 25350 1 534 . 1 1 52 52 ALA CB C 13 17.359 0.300 . 1 . . . A 52 ALA CB . 25350 1 535 . 1 1 52 52 ALA N N 15 122.617 0.300 . 1 . . . A 52 ALA N . 25350 1 536 . 1 1 53 53 LYS H H 1 7.559 0.020 . 1 . . . A 53 LYS H . 25350 1 537 . 1 1 53 53 LYS HA H 1 3.809 0.020 . 1 . . . A 53 LYS HA . 25350 1 538 . 1 1 53 53 LYS HB2 H 1 1.976 0.020 . 1 . . . A 53 LYS HB2 . 25350 1 539 . 1 1 53 53 LYS HB3 H 1 1.976 0.020 . 1 . . . A 53 LYS HB3 . 25350 1 540 . 1 1 53 53 LYS HG2 H 1 1.316 0.020 . 1 . . . A 53 LYS HG2 . 25350 1 541 . 1 1 53 53 LYS HD2 H 1 1.900 0.020 . 1 . . . A 53 LYS HD2 . 25350 1 542 . 1 1 53 53 LYS HD3 H 1 1.900 0.020 . 1 . . . A 53 LYS HD3 . 25350 1 543 . 1 1 53 53 LYS HE2 H 1 3.127 0.020 . 1 . . . A 53 LYS HE2 . 25350 1 544 . 1 1 53 53 LYS HE3 H 1 3.082 0.020 . 1 . . . A 53 LYS HE3 . 25350 1 545 . 1 1 53 53 LYS C C 13 179.741 0.300 . 1 . . . A 53 LYS C . 25350 1 546 . 1 1 53 53 LYS CA C 13 60.418 0.300 . 1 . . . A 53 LYS CA . 25350 1 547 . 1 1 53 53 LYS CB C 13 32.119 0.300 . 1 . . . A 53 LYS CB . 25350 1 548 . 1 1 53 53 LYS CG C 13 25.350 0.300 . 1 . . . A 53 LYS CG . 25350 1 549 . 1 1 53 53 LYS CD C 13 29.745 0.300 . 1 . . . A 53 LYS CD . 25350 1 550 . 1 1 53 53 LYS CE C 13 42.133 0.300 . 1 . . . A 53 LYS CE . 25350 1 551 . 1 1 53 53 LYS N N 15 115.660 0.300 . 1 . . . A 53 LYS N . 25350 1 552 . 1 1 54 54 VAL H H 1 7.532 0.020 . 1 . . . A 54 VAL H . 25350 1 553 . 1 1 54 54 VAL HA H 1 3.742 0.020 . 1 . . . A 54 VAL HA . 25350 1 554 . 1 1 54 54 VAL HB H 1 2.470 0.020 . 1 . . . A 54 VAL HB . 25350 1 555 . 1 1 54 54 VAL HG11 H 1 1.132 0.020 . 1 . . . A 54 VAL HG11 . 25350 1 556 . 1 1 54 54 VAL HG12 H 1 1.132 0.020 . 1 . . . A 54 VAL HG12 . 25350 1 557 . 1 1 54 54 VAL HG13 H 1 1.132 0.020 . 1 . . . A 54 VAL HG13 . 25350 1 558 . 1 1 54 54 VAL HG21 H 1 0.985 0.020 . 1 . . . A 54 VAL HG21 . 25350 1 559 . 1 1 54 54 VAL HG22 H 1 0.985 0.020 . 1 . . . A 54 VAL HG22 . 25350 1 560 . 1 1 54 54 VAL HG23 H 1 0.985 0.020 . 1 . . . A 54 VAL HG23 . 25350 1 561 . 1 1 54 54 VAL C C 13 179.383 0.300 . 1 . . . A 54 VAL C . 25350 1 562 . 1 1 54 54 VAL CA C 13 66.732 0.300 . 1 . . . A 54 VAL CA . 25350 1 563 . 1 1 54 54 VAL CB C 13 31.122 0.300 . 1 . . . A 54 VAL CB . 25350 1 564 . 1 1 54 54 VAL CG1 C 13 22.110 0.300 . 1 . . . A 54 VAL CG1 . 25350 1 565 . 1 1 54 54 VAL CG2 C 13 21.239 0.300 . 1 . . . A 54 VAL CG2 . 25350 1 566 . 1 1 54 54 VAL N N 15 121.965 0.300 . 1 . . . A 54 VAL N . 25350 1 567 . 1 1 55 55 SER H H 1 8.796 0.020 . 1 . . . A 55 SER H . 25350 1 568 . 1 1 55 55 SER HA H 1 4.189 0.020 . 1 . . . A 55 SER HA . 25350 1 569 . 1 1 55 55 SER HB2 H 1 4.016 0.020 . 1 . . . A 55 SER HB2 . 25350 1 570 . 1 1 55 55 SER C C 13 176.311 0.300 . 1 . . . A 55 SER C . 25350 1 571 . 1 1 55 55 SER CA C 13 62.031 0.300 . 1 . . . A 55 SER CA . 25350 1 572 . 1 1 55 55 SER CB C 13 62.481 0.300 . 1 . . . A 55 SER CB . 25350 1 573 . 1 1 55 55 SER N N 15 118.423 0.300 . 1 . . . A 55 SER N . 25350 1 574 . 1 1 56 56 ALA H H 1 8.946 0.020 . 1 . . . A 56 ALA H . 25350 1 575 . 1 1 56 56 ALA HA H 1 3.988 0.020 . 1 . . . A 56 ALA HA . 25350 1 576 . 1 1 56 56 ALA HB1 H 1 1.516 0.020 . 1 . . . A 56 ALA HB1 . 25350 1 577 . 1 1 56 56 ALA HB2 H 1 1.516 0.020 . 1 . . . A 56 ALA HB2 . 25350 1 578 . 1 1 56 56 ALA HB3 H 1 1.516 0.020 . 1 . . . A 56 ALA HB3 . 25350 1 579 . 1 1 56 56 ALA C C 13 178.860 0.300 . 1 . . . A 56 ALA C . 25350 1 580 . 1 1 56 56 ALA CA C 13 55.387 0.300 . 1 . . . A 56 ALA CA . 25350 1 581 . 1 1 56 56 ALA CB C 13 17.976 0.300 . 1 . . . A 56 ALA CB . 25350 1 582 . 1 1 56 56 ALA N N 15 121.540 0.300 . 1 . . . A 56 ALA N . 25350 1 583 . 1 1 57 57 SER H H 1 7.914 0.020 . 1 . . . A 57 SER H . 25350 1 584 . 1 1 57 57 SER HA H 1 4.383 0.020 . 1 . . . A 57 SER HA . 25350 1 585 . 1 1 57 57 SER HB2 H 1 4.070 0.020 . 1 . . . A 57 SER HB2 . 25350 1 586 . 1 1 57 57 SER HB3 H 1 3.736 0.020 . 1 . . . A 57 SER HB3 . 25350 1 587 . 1 1 57 57 SER C C 13 177.322 0.300 . 1 . . . A 57 SER C . 25350 1 588 . 1 1 57 57 SER CA C 13 62.036 0.300 . 1 . . . A 57 SER CA . 25350 1 589 . 1 1 57 57 SER CB C 13 62.812 0.300 . 1 . . . A 57 SER CB . 25350 1 590 . 1 1 57 57 SER N N 15 113.374 0.300 . 1 . . . A 57 SER N . 25350 1 591 . 1 1 58 58 GLU H H 1 8.141 0.020 . 1 . . . A 58 GLU H . 25350 1 592 . 1 1 58 58 GLU HA H 1 4.157 0.020 . 1 . . . A 58 GLU HA . 25350 1 593 . 1 1 58 58 GLU HB2 H 1 2.141 0.020 . 1 . . . A 58 GLU HB2 . 25350 1 594 . 1 1 58 58 GLU HG2 H 1 2.518 0.020 . 1 . . . A 58 GLU HG2 . 25350 1 595 . 1 1 58 58 GLU HG3 H 1 2.275 0.020 . 1 . . . A 58 GLU HG3 . 25350 1 596 . 1 1 58 58 GLU C C 13 180.669 0.300 . 1 . . . A 58 GLU C . 25350 1 597 . 1 1 58 58 GLU CA C 13 59.268 0.300 . 1 . . . A 58 GLU CA . 25350 1 598 . 1 1 58 58 GLU CB C 13 32.639 0.300 . 1 . . . A 58 GLU CB . 25350 1 599 . 1 1 58 58 GLU CG C 13 36.547 0.300 . 1 . . . A 58 GLU CG . 25350 1 600 . 1 1 58 58 GLU N N 15 121.798 0.300 . 1 . . . A 58 GLU N . 25350 1 601 . 1 1 59 59 ILE H H 1 8.048 0.020 . 1 . . . A 59 ILE H . 25350 1 602 . 1 1 59 59 ILE HA H 1 3.788 0.020 . 1 . . . A 59 ILE HA . 25350 1 603 . 1 1 59 59 ILE HB H 1 2.175 0.020 . 1 . . . A 59 ILE HB . 25350 1 604 . 1 1 59 59 ILE HG12 H 1 0.989 0.020 . 1 . . . A 59 ILE HG12 . 25350 1 605 . 1 1 59 59 ILE HG21 H 1 0.779 0.020 . 1 . . . A 59 ILE HG21 . 25350 1 606 . 1 1 59 59 ILE HG22 H 1 0.779 0.020 . 1 . . . A 59 ILE HG22 . 25350 1 607 . 1 1 59 59 ILE HG23 H 1 0.779 0.020 . 1 . . . A 59 ILE HG23 . 25350 1 608 . 1 1 59 59 ILE HD11 H 1 0.775 0.020 . 1 . . . A 59 ILE HD11 . 25350 1 609 . 1 1 59 59 ILE HD12 H 1 0.775 0.020 . 1 . . . A 59 ILE HD12 . 25350 1 610 . 1 1 59 59 ILE HD13 H 1 0.775 0.020 . 1 . . . A 59 ILE HD13 . 25350 1 611 . 1 1 59 59 ILE C C 13 177.566 0.300 . 1 . . . A 59 ILE C . 25350 1 612 . 1 1 59 59 ILE CA C 13 65.564 0.300 . 1 . . . A 59 ILE CA . 25350 1 613 . 1 1 59 59 ILE CB C 13 36.539 0.300 . 1 . . . A 59 ILE CB . 25350 1 614 . 1 1 59 59 ILE CG1 C 13 30.735 0.300 . 1 . . . A 59 ILE CG1 . 25350 1 615 . 1 1 59 59 ILE CG2 C 13 16.655 0.300 . 1 . . . A 59 ILE CG2 . 25350 1 616 . 1 1 59 59 ILE CD1 C 13 13.532 0.300 . 1 . . . A 59 ILE CD1 . 25350 1 617 . 1 1 59 59 ILE N N 15 122.257 0.300 . 1 . . . A 59 ILE N . 25350 1 618 . 1 1 60 60 LEU H H 1 7.680 0.020 . 1 . . . A 60 LEU H . 25350 1 619 . 1 1 60 60 LEU HA H 1 4.182 0.020 . 1 . . . A 60 LEU HA . 25350 1 620 . 1 1 60 60 LEU HB2 H 1 2.147 0.020 . 1 . . . A 60 LEU HB2 . 25350 1 621 . 1 1 60 60 LEU HB3 H 1 1.677 0.020 . 1 . . . A 60 LEU HB3 . 25350 1 622 . 1 1 60 60 LEU HG H 1 1.954 0.020 . 1 . . . A 60 LEU HG . 25350 1 623 . 1 1 60 60 LEU HD11 H 1 0.997 0.020 . 1 . . . A 60 LEU HD11 . 25350 1 624 . 1 1 60 60 LEU HD12 H 1 0.997 0.020 . 1 . . . A 60 LEU HD12 . 25350 1 625 . 1 1 60 60 LEU HD13 H 1 0.997 0.020 . 1 . . . A 60 LEU HD13 . 25350 1 626 . 1 1 60 60 LEU HD21 H 1 0.872 0.020 . 1 . . . A 60 LEU HD21 . 25350 1 627 . 1 1 60 60 LEU HD22 H 1 0.872 0.020 . 1 . . . A 60 LEU HD22 . 25350 1 628 . 1 1 60 60 LEU HD23 H 1 0.872 0.020 . 1 . . . A 60 LEU HD23 . 25350 1 629 . 1 1 60 60 LEU C C 13 180.571 0.300 . 1 . . . A 60 LEU C . 25350 1 630 . 1 1 60 60 LEU CA C 13 57.879 0.300 . 1 . . . A 60 LEU CA . 25350 1 631 . 1 1 60 60 LEU CB C 13 40.654 0.300 . 1 . . . A 60 LEU CB . 25350 1 632 . 1 1 60 60 LEU CG C 13 26.965 0.300 . 1 . . . A 60 LEU CG . 25350 1 633 . 1 1 60 60 LEU CD1 C 13 25.077 0.300 . 1 . . . A 60 LEU CD1 . 25350 1 634 . 1 1 60 60 LEU CD2 C 13 24.217 0.300 . 1 . . . A 60 LEU CD2 . 25350 1 635 . 1 1 60 60 LEU N N 15 117.387 0.300 . 1 . . . A 60 LEU N . 25350 1 636 . 1 1 61 61 ASN H H 1 7.649 0.020 . 1 . . . A 61 ASN H . 25350 1 637 . 1 1 61 61 ASN HA H 1 4.878 0.020 . 1 . . . A 61 ASN HA . 25350 1 638 . 1 1 61 61 ASN HB2 H 1 3.048 0.020 . 1 . . . A 61 ASN HB2 . 25350 1 639 . 1 1 61 61 ASN HB3 H 1 2.950 0.020 . 1 . . . A 61 ASN HB3 . 25350 1 640 . 1 1 61 61 ASN C C 13 176.499 0.300 . 1 . . . A 61 ASN C . 25350 1 641 . 1 1 61 61 ASN CA C 13 54.041 0.300 . 1 . . . A 61 ASN CA . 25350 1 642 . 1 1 61 61 ASN CB C 13 38.248 0.300 . 1 . . . A 61 ASN CB . 25350 1 643 . 1 1 61 61 ASN N N 15 115.815 0.300 . 1 . . . A 61 ASN N . 25350 1 644 . 1 1 62 62 VAL H H 1 8.077 0.020 . 1 . . . A 62 VAL H . 25350 1 645 . 1 1 62 62 VAL HA H 1 4.478 0.020 . 1 . . . A 62 VAL HA . 25350 1 646 . 1 1 62 62 VAL HB H 1 2.888 0.020 . 1 . . . A 62 VAL HB . 25350 1 647 . 1 1 62 62 VAL HG11 H 1 1.393 0.020 . 1 . . . A 62 VAL HG11 . 25350 1 648 . 1 1 62 62 VAL HG12 H 1 1.393 0.020 . 1 . . . A 62 VAL HG12 . 25350 1 649 . 1 1 62 62 VAL HG13 H 1 1.393 0.020 . 1 . . . A 62 VAL HG13 . 25350 1 650 . 1 1 62 62 VAL HG21 H 1 1.452 0.020 . 1 . . . A 62 VAL HG21 . 25350 1 651 . 1 1 62 62 VAL HG22 H 1 1.452 0.020 . 1 . . . A 62 VAL HG22 . 25350 1 652 . 1 1 62 62 VAL HG23 H 1 1.452 0.020 . 1 . . . A 62 VAL HG23 . 25350 1 653 . 1 1 62 62 VAL C C 13 177.001 0.300 . 1 . . . A 62 VAL C . 25350 1 654 . 1 1 62 62 VAL CA C 13 63.379 0.300 . 1 . . . A 62 VAL CA . 25350 1 655 . 1 1 62 62 VAL CB C 13 31.839 0.300 . 1 . . . A 62 VAL CB . 25350 1 656 . 1 1 62 62 VAL CG1 C 13 18.353 0.300 . 1 . . . A 62 VAL CG1 . 25350 1 657 . 1 1 62 62 VAL CG2 C 13 20.284 0.300 . 1 . . . A 62 VAL CG2 . 25350 1 658 . 1 1 62 62 VAL N N 15 113.212 0.300 . 1 . . . A 62 VAL N . 25350 1 659 . 1 1 63 63 LYS H H 1 7.065 0.020 . 1 . . . A 63 LYS H . 25350 1 660 . 1 1 63 63 LYS HA H 1 3.284 0.020 . 1 . . . A 63 LYS HA . 25350 1 661 . 1 1 63 63 LYS HB2 H 1 1.688 0.020 . 1 . . . A 63 LYS HB2 . 25350 1 662 . 1 1 63 63 LYS HB3 H 1 1.499 0.020 . 1 . . . A 63 LYS HB3 . 25350 1 663 . 1 1 63 63 LYS HG2 H 1 1.372 0.020 . 1 . . . A 63 LYS HG2 . 25350 1 664 . 1 1 63 63 LYS HG3 H 1 1.155 0.020 . 1 . . . A 63 LYS HG3 . 25350 1 665 . 1 1 63 63 LYS HD2 H 1 1.182 0.020 . 1 . . . A 63 LYS HD2 . 25350 1 666 . 1 1 63 63 LYS HD3 H 1 1.050 0.020 . 1 . . . A 63 LYS HD3 . 25350 1 667 . 1 1 63 63 LYS HE2 H 1 2.586 0.020 . 1 . . . A 63 LYS HE2 . 25350 1 668 . 1 1 63 63 LYS HE3 H 1 2.519 0.020 . 1 . . . A 63 LYS HE3 . 25350 1 669 . 1 1 63 63 LYS C C 13 177.215 0.300 . 1 . . . A 63 LYS C . 25350 1 670 . 1 1 63 63 LYS CA C 13 58.637 0.300 . 1 . . . A 63 LYS CA . 25350 1 671 . 1 1 63 63 LYS CB C 13 31.376 0.300 . 1 . . . A 63 LYS CB . 25350 1 672 . 1 1 63 63 LYS CG C 13 23.869 0.300 . 1 . . . A 63 LYS CG . 25350 1 673 . 1 1 63 63 LYS CD C 13 28.457 0.300 . 1 . . . A 63 LYS CD . 25350 1 674 . 1 1 63 63 LYS CE C 13 42.073 0.300 . 1 . . . A 63 LYS CE . 25350 1 675 . 1 1 63 63 LYS N N 15 122.802 0.300 . 1 . . . A 63 LYS N . 25350 1 676 . 1 1 64 64 GLN H H 1 7.633 0.020 . 1 . . . A 64 GLN H . 25350 1 677 . 1 1 64 64 GLN HA H 1 4.067 0.020 . 1 . . . A 64 GLN HA . 25350 1 678 . 1 1 64 64 GLN HB2 H 1 1.800 0.020 . 1 . . . A 64 GLN HB2 . 25350 1 679 . 1 1 64 64 GLN HB3 H 1 1.762 0.020 . 1 . . . A 64 GLN HB3 . 25350 1 680 . 1 1 64 64 GLN HG2 H 1 2.232 0.020 . 1 . . . A 64 GLN HG2 . 25350 1 681 . 1 1 64 64 GLN HG3 H 1 2.175 0.020 . 1 . . . A 64 GLN HG3 . 25350 1 682 . 1 1 64 64 GLN C C 13 177.275 0.300 . 1 . . . A 64 GLN C . 25350 1 683 . 1 1 64 64 GLN CA C 13 58.142 0.300 . 1 . . . A 64 GLN CA . 25350 1 684 . 1 1 64 64 GLN CB C 13 27.096 0.300 . 1 . . . A 64 GLN CB . 25350 1 685 . 1 1 64 64 GLN CG C 13 31.888 0.300 . 1 . . . A 64 GLN CG . 25350 1 686 . 1 1 64 64 GLN N N 15 115.109 0.300 . 1 . . . A 64 GLN N . 25350 1 687 . 1 1 65 65 PHE H H 1 7.171 0.020 . 1 . . . A 65 PHE H . 25350 1 688 . 1 1 65 65 PHE HA H 1 4.327 0.020 . 1 . . . A 65 PHE HA . 25350 1 689 . 1 1 65 65 PHE HB2 H 1 3.398 0.020 . 1 . . . A 65 PHE HB2 . 25350 1 690 . 1 1 65 65 PHE HB3 H 1 2.894 0.020 . 1 . . . A 65 PHE HB3 . 25350 1 691 . 1 1 65 65 PHE HD1 H 1 7.173 0.020 . 1 . . . A 65 PHE HD1 . 25350 1 692 . 1 1 65 65 PHE HD2 H 1 7.173 0.020 . 1 . . . A 65 PHE HD2 . 25350 1 693 . 1 1 65 65 PHE HE1 H 1 7.443 0.020 . 1 . . . A 65 PHE HE1 . 25350 1 694 . 1 1 65 65 PHE HZ H 1 6.604 0.020 . 1 . . . A 65 PHE HZ . 25350 1 695 . 1 1 65 65 PHE C C 13 177.929 0.300 . 1 . . . A 65 PHE C . 25350 1 696 . 1 1 65 65 PHE CA C 13 58.959 0.300 . 1 . . . A 65 PHE CA . 25350 1 697 . 1 1 65 65 PHE CB C 13 39.117 0.300 . 1 . . . A 65 PHE CB . 25350 1 698 . 1 1 65 65 PHE CD1 C 13 130.066 0.300 . 1 . . . A 65 PHE CD1 . 25350 1 699 . 1 1 65 65 PHE CD2 C 13 130.418 0.300 . 1 . . . A 65 PHE CD2 . 25350 1 700 . 1 1 65 65 PHE CE1 C 13 131.928 0.300 . 1 . . . A 65 PHE CE1 . 25350 1 701 . 1 1 65 65 PHE CZ C 13 120.022 0.300 . 1 . . . A 65 PHE CZ . 25350 1 702 . 1 1 65 65 PHE N N 15 117.172 0.300 . 1 . . . A 65 PHE N . 25350 1 703 . 1 1 66 66 ILE H H 1 7.381 0.020 . 1 . . . A 66 ILE H . 25350 1 704 . 1 1 66 66 ILE HA H 1 3.263 0.020 . 1 . . . A 66 ILE HA . 25350 1 705 . 1 1 66 66 ILE HB H 1 1.958 0.020 . 1 . . . A 66 ILE HB . 25350 1 706 . 1 1 66 66 ILE HG12 H 1 1.215 0.020 . 1 . . . A 66 ILE HG12 . 25350 1 707 . 1 1 66 66 ILE HG13 H 1 1.170 0.020 . 1 . . . A 66 ILE HG13 . 25350 1 708 . 1 1 66 66 ILE HG21 H 1 0.951 0.020 . 1 . . . A 66 ILE HG21 . 25350 1 709 . 1 1 66 66 ILE HG22 H 1 0.951 0.020 . 1 . . . A 66 ILE HG22 . 25350 1 710 . 1 1 66 66 ILE HG23 H 1 0.951 0.020 . 1 . . . A 66 ILE HG23 . 25350 1 711 . 1 1 66 66 ILE HD11 H 1 0.746 0.020 . 1 . . . A 66 ILE HD11 . 25350 1 712 . 1 1 66 66 ILE HD12 H 1 0.746 0.020 . 1 . . . A 66 ILE HD12 . 25350 1 713 . 1 1 66 66 ILE HD13 H 1 0.746 0.020 . 1 . . . A 66 ILE HD13 . 25350 1 714 . 1 1 66 66 ILE C C 13 174.811 0.300 . 1 . . . A 66 ILE C . 25350 1 715 . 1 1 66 66 ILE CA C 13 65.540 0.300 . 1 . . . A 66 ILE CA . 25350 1 716 . 1 1 66 66 ILE CB C 13 37.624 0.300 . 1 . . . A 66 ILE CB . 25350 1 717 . 1 1 66 66 ILE CG1 C 13 31.687 0.300 . 1 . . . A 66 ILE CG1 . 25350 1 718 . 1 1 66 66 ILE CG2 C 13 17.162 0.300 . 1 . . . A 66 ILE CG2 . 25350 1 719 . 1 1 66 66 ILE CD1 C 13 14.374 0.300 . 1 . . . A 66 ILE CD1 . 25350 1 720 . 1 1 66 66 ILE N N 15 120.163 0.300 . 1 . . . A 66 ILE N . 25350 1 721 . 1 1 67 67 ASP H H 1 7.014 0.020 . 1 . . . A 67 ASP H . 25350 1 722 . 1 1 67 67 ASP HA H 1 4.223 0.020 . 1 . . . A 67 ASP HA . 25350 1 723 . 1 1 67 67 ASP HB2 H 1 2.544 0.020 . 1 . . . A 67 ASP HB2 . 25350 1 724 . 1 1 67 67 ASP HB3 H 1 2.544 0.020 . 1 . . . A 67 ASP HB3 . 25350 1 725 . 1 1 67 67 ASP C C 13 177.672 0.300 . 1 . . . A 67 ASP C . 25350 1 726 . 1 1 67 67 ASP CA C 13 57.242 0.300 . 1 . . . A 67 ASP CA . 25350 1 727 . 1 1 67 67 ASP CB C 13 39.807 0.300 . 1 . . . A 67 ASP CB . 25350 1 728 . 1 1 67 67 ASP N N 15 112.431 0.300 . 1 . . . A 67 ASP N . 25350 1 729 . 1 1 68 68 ARG H H 1 6.901 0.020 . 1 . . . A 68 ARG H . 25350 1 730 . 1 1 68 68 ARG HA H 1 4.257 0.020 . 1 . . . A 68 ARG HA . 25350 1 731 . 1 1 68 68 ARG HB2 H 1 1.942 0.020 . 1 . . . A 68 ARG HB2 . 25350 1 732 . 1 1 68 68 ARG HB3 H 1 1.544 0.020 . 1 . . . A 68 ARG HB3 . 25350 1 733 . 1 1 68 68 ARG HG2 H 1 1.651 0.020 . 1 . . . A 68 ARG HG2 . 25350 1 734 . 1 1 68 68 ARG HD2 H 1 3.120 0.020 . 1 . . . A 68 ARG HD2 . 25350 1 735 . 1 1 68 68 ARG HD3 H 1 3.168 0.020 . 1 . . . A 68 ARG HD3 . 25350 1 736 . 1 1 68 68 ARG C C 13 174.692 0.300 . 1 . . . A 68 ARG C . 25350 1 737 . 1 1 68 68 ARG CA C 13 55.374 0.300 . 1 . . . A 68 ARG CA . 25350 1 738 . 1 1 68 68 ARG CB C 13 31.191 0.300 . 1 . . . A 68 ARG CB . 25350 1 739 . 1 1 68 68 ARG CG C 13 27.355 0.300 . 1 . . . A 68 ARG CG . 25350 1 740 . 1 1 68 68 ARG CD C 13 43.699 0.300 . 1 . . . A 68 ARG CD . 25350 1 741 . 1 1 68 68 ARG N N 15 113.824 0.300 . 1 . . . A 68 ARG N . 25350 1 742 . 1 1 69 69 LYS H H 1 7.576 0.020 . 1 . . . A 69 LYS H . 25350 1 743 . 1 1 69 69 LYS HA H 1 4.238 0.020 . 1 . . . A 69 LYS HA . 25350 1 744 . 1 1 69 69 LYS HB2 H 1 2.097 0.020 . 1 . . . A 69 LYS HB2 . 25350 1 745 . 1 1 69 69 LYS HB3 H 1 1.944 0.020 . 1 . . . A 69 LYS HB3 . 25350 1 746 . 1 1 69 69 LYS HG2 H 1 1.375 0.020 . 1 . . . A 69 LYS HG2 . 25350 1 747 . 1 1 69 69 LYS HG3 H 1 1.375 0.020 . 1 . . . A 69 LYS HG3 . 25350 1 748 . 1 1 69 69 LYS HD2 H 1 1.563 0.020 . 1 . . . A 69 LYS HD2 . 25350 1 749 . 1 1 69 69 LYS HD3 H 1 1.758 0.020 . 1 . . . A 69 LYS HD3 . 25350 1 750 . 1 1 69 69 LYS HE2 H 1 3.051 0.020 . 1 . . . A 69 LYS HE2 . 25350 1 751 . 1 1 69 69 LYS HE3 H 1 3.051 0.020 . 1 . . . A 69 LYS HE3 . 25350 1 752 . 1 1 69 69 LYS C C 13 174.137 0.300 . 1 . . . A 69 LYS C . 25350 1 753 . 1 1 69 69 LYS CA C 13 56.617 0.300 . 1 . . . A 69 LYS CA . 25350 1 754 . 1 1 69 69 LYS CB C 13 28.499 0.300 . 1 . . . A 69 LYS CB . 25350 1 755 . 1 1 69 69 LYS CG C 13 24.662 0.300 . 1 . . . A 69 LYS CG . 25350 1 756 . 1 1 69 69 LYS CD C 13 32.636 0.300 . 1 . . . A 69 LYS CD . 25350 1 757 . 1 1 69 69 LYS CE C 13 42.359 0.300 . 1 . . . A 69 LYS CE . 25350 1 758 . 1 1 69 69 LYS N N 15 118.878 0.300 . 1 . . . A 69 LYS N . 25350 1 759 . 1 1 70 70 ALA H H 1 8.021 0.020 . 1 . . . A 70 ALA H . 25350 1 760 . 1 1 70 70 ALA HA H 1 4.576 0.020 . 1 . . . A 70 ALA HA . 25350 1 761 . 1 1 70 70 ALA HB1 H 1 1.272 0.020 . 1 . . . A 70 ALA HB1 . 25350 1 762 . 1 1 70 70 ALA HB2 H 1 1.272 0.020 . 1 . . . A 70 ALA HB2 . 25350 1 763 . 1 1 70 70 ALA HB3 H 1 1.272 0.020 . 1 . . . A 70 ALA HB3 . 25350 1 764 . 1 1 70 70 ALA C C 13 177.429 0.300 . 1 . . . A 70 ALA C . 25350 1 765 . 1 1 70 70 ALA CA C 13 48.979 0.300 . 1 . . . A 70 ALA CA . 25350 1 766 . 1 1 70 70 ALA CB C 13 17.116 0.300 . 1 . . . A 70 ALA CB . 25350 1 767 . 1 1 70 70 ALA N N 15 122.931 0.300 . 1 . . . A 70 ALA N . 25350 1 768 . 1 1 71 71 TRP H H 1 7.039 0.020 . 1 . . . A 71 TRP H . 25350 1 769 . 1 1 71 71 TRP HA H 1 4.464 0.020 . 1 . . . A 71 TRP HA . 25350 1 770 . 1 1 71 71 TRP HB2 H 1 1.960 0.020 . 1 . . . A 71 TRP HB2 . 25350 1 771 . 1 1 71 71 TRP HB3 H 1 1.758 0.020 . 1 . . . A 71 TRP HB3 . 25350 1 772 . 1 1 71 71 TRP HD1 H 1 7.442 0.020 . 1 . . . A 71 TRP HD1 . 25350 1 773 . 1 1 71 71 TRP HE3 H 1 7.444 0.020 . 1 . . . A 71 TRP HE3 . 25350 1 774 . 1 1 71 71 TRP HZ3 H 1 7.239 0.020 . 1 . . . A 71 TRP HZ3 . 25350 1 775 . 1 1 71 71 TRP C C 13 175.088 0.300 . 1 . . . A 71 TRP C . 25350 1 776 . 1 1 71 71 TRP CA C 13 61.247 0.300 . 1 . . . A 71 TRP CA . 25350 1 777 . 1 1 71 71 TRP CB C 13 27.683 0.300 . 1 . . . A 71 TRP CB . 25350 1 778 . 1 1 71 71 TRP CD1 C 13 129.461 0.300 . 1 . . . A 71 TRP CD1 . 25350 1 779 . 1 1 71 71 TRP CE3 C 13 128.925 0.300 . 1 . . . A 71 TRP CE3 . 25350 1 780 . 1 1 71 71 TRP CZ3 C 13 113.579 0.300 . 1 . . . A 71 TRP CZ3 . 25350 1 781 . 1 1 71 71 TRP N N 15 119.538 0.300 . 1 . . . A 71 TRP N . 25350 1 782 . 1 1 72 72 PRO C C 13 179.767 0.300 . 1 . . . A 72 PRO C . 25350 1 783 . 1 1 72 72 PRO CA C 13 65.943 0.300 . 1 . . . A 72 PRO CA . 25350 1 784 . 1 1 72 72 PRO CB C 13 29.987 0.300 . 1 . . . A 72 PRO CB . 25350 1 785 . 1 1 72 72 PRO N N 15 136.568 0.300 . 1 . . . A 72 PRO N . 25350 1 786 . 1 1 74 74 LEU H H 1 7.243 0.020 . 1 . . . A 74 LEU H . 25350 1 787 . 1 1 74 74 LEU HA H 1 3.888 0.020 . 1 . . . A 74 LEU HA . 25350 1 788 . 1 1 74 74 LEU HB2 H 1 1.064 0.020 . 1 . . . A 74 LEU HB2 . 25350 1 789 . 1 1 74 74 LEU HB3 H 1 1.064 0.020 . 1 . . . A 74 LEU HB3 . 25350 1 790 . 1 1 74 74 LEU HG H 1 1.048 0.020 . 1 . . . A 74 LEU HG . 25350 1 791 . 1 1 74 74 LEU HD11 H 1 0.479 0.020 . 1 . . . A 74 LEU HD11 . 25350 1 792 . 1 1 74 74 LEU HD12 H 1 0.479 0.020 . 1 . . . A 74 LEU HD12 . 25350 1 793 . 1 1 74 74 LEU HD13 H 1 0.479 0.020 . 1 . . . A 74 LEU HD13 . 25350 1 794 . 1 1 74 74 LEU HD21 H 1 0.403 0.020 . 1 . . . A 74 LEU HD21 . 25350 1 795 . 1 1 74 74 LEU HD22 H 1 0.403 0.020 . 1 . . . A 74 LEU HD22 . 25350 1 796 . 1 1 74 74 LEU HD23 H 1 0.403 0.020 . 1 . . . A 74 LEU HD23 . 25350 1 797 . 1 1 74 74 LEU CA C 13 53.960 0.300 . 1 . . . A 74 LEU CA . 25350 1 798 . 1 1 74 74 LEU CB C 13 42.570 0.300 . 1 . . . A 74 LEU CB . 25350 1 799 . 1 1 74 74 LEU CG C 13 26.018 0.300 . 1 . . . A 74 LEU CG . 25350 1 800 . 1 1 74 74 LEU CD1 C 13 24.638 0.300 . 1 . . . A 74 LEU CD1 . 25350 1 801 . 1 1 74 74 LEU CD2 C 13 23.254 0.300 . 1 . . . A 74 LEU CD2 . 25350 1 802 . 1 1 75 75 GLN H H 1 7.778 0.020 . 1 . . . A 75 GLN H . 25350 1 803 . 1 1 75 75 GLN HA H 1 3.960 0.020 . 1 . . . A 75 GLN HA . 25350 1 804 . 1 1 75 75 GLN C C 13 177.566 0.300 . 1 . . . A 75 GLN C . 25350 1 805 . 1 1 75 75 GLN CA C 13 62.216 0.300 . 1 . . . A 75 GLN CA . 25350 1 806 . 1 1 75 75 GLN N N 15 112.641 0.300 . 1 . . . A 75 GLN N . 25350 1 807 . 1 1 76 76 ASN H H 1 7.840 0.020 . 1 . . . A 76 ASN H . 25350 1 808 . 1 1 76 76 ASN HA H 1 4.476 0.020 . 1 . . . A 76 ASN HA . 25350 1 809 . 1 1 76 76 ASN HB2 H 1 3.317 0.020 . 1 . . . A 76 ASN HB2 . 25350 1 810 . 1 1 76 76 ASN HB3 H 1 3.167 0.020 . 1 . . . A 76 ASN HB3 . 25350 1 811 . 1 1 76 76 ASN HD21 H 1 6.932 0.020 . 1 . . . A 76 ASN HD21 . 25350 1 812 . 1 1 76 76 ASN HD22 H 1 6.932 0.020 . 1 . . . A 76 ASN HD22 . 25350 1 813 . 1 1 76 76 ASN C C 13 179.848 0.300 . 1 . . . A 76 ASN C . 25350 1 814 . 1 1 76 76 ASN CA C 13 58.720 0.300 . 1 . . . A 76 ASN CA . 25350 1 815 . 1 1 76 76 ASN CB C 13 36.814 0.300 . 1 . . . A 76 ASN CB . 25350 1 816 . 1 1 76 76 ASN N N 15 122.906 0.300 . 1 . . . A 76 ASN N . 25350 1 817 . 1 1 77 77 ASP H H 1 8.751 0.020 . 1 . . . A 77 ASP H . 25350 1 818 . 1 1 77 77 ASP HA H 1 4.456 0.020 . 1 . . . A 77 ASP HA . 25350 1 819 . 1 1 77 77 ASP HB2 H 1 2.651 0.020 . 1 . . . A 77 ASP HB2 . 25350 1 820 . 1 1 77 77 ASP HB3 H 1 2.550 0.020 . 1 . . . A 77 ASP HB3 . 25350 1 821 . 1 1 77 77 ASP C C 13 178.326 0.300 . 1 . . . A 77 ASP C . 25350 1 822 . 1 1 77 77 ASP CA C 13 58.238 0.300 . 1 . . . A 77 ASP CA . 25350 1 823 . 1 1 77 77 ASP CB C 13 41.976 0.300 . 1 . . . A 77 ASP CB . 25350 1 824 . 1 1 77 77 ASP N N 15 122.220 0.300 . 1 . . . A 77 ASP N . 25350 1 825 . 1 1 78 78 LEU H H 1 8.679 0.020 . 1 . . . A 78 LEU H . 25350 1 826 . 1 1 78 78 LEU HA H 1 4.011 0.020 . 1 . . . A 78 LEU HA . 25350 1 827 . 1 1 78 78 LEU HB2 H 1 2.064 0.020 . 1 . . . A 78 LEU HB2 . 25350 1 828 . 1 1 78 78 LEU HB3 H 1 1.738 0.020 . 1 . . . A 78 LEU HB3 . 25350 1 829 . 1 1 78 78 LEU HD11 H 1 1.083 0.020 . 1 . . . A 78 LEU HD11 . 25350 1 830 . 1 1 78 78 LEU HD12 H 1 1.083 0.020 . 1 . . . A 78 LEU HD12 . 25350 1 831 . 1 1 78 78 LEU HD13 H 1 1.083 0.020 . 1 . . . A 78 LEU HD13 . 25350 1 832 . 1 1 78 78 LEU HD21 H 1 1.083 0.020 . 1 . . . A 78 LEU HD21 . 25350 1 833 . 1 1 78 78 LEU HD22 H 1 1.083 0.020 . 1 . . . A 78 LEU HD22 . 25350 1 834 . 1 1 78 78 LEU HD23 H 1 1.083 0.020 . 1 . . . A 78 LEU HD23 . 25350 1 835 . 1 1 78 78 LEU C C 13 178.037 0.300 . 1 . . . A 78 LEU C . 25350 1 836 . 1 1 78 78 LEU CA C 13 58.337 0.300 . 1 . . . A 78 LEU CA . 25350 1 837 . 1 1 78 78 LEU CB C 13 43.220 0.300 . 1 . . . A 78 LEU CB . 25350 1 838 . 1 1 78 78 LEU CG C 13 25.852 0.300 . 1 . . . A 78 LEU CG . 25350 1 839 . 1 1 78 78 LEU CD1 C 13 23.735 0.300 . 1 . . . A 78 LEU CD1 . 25350 1 840 . 1 1 78 78 LEU N N 15 117.943 0.300 . 1 . . . A 78 LEU N . 25350 1 841 . 1 1 79 79 ARG H H 1 8.019 0.020 . 1 . . . A 79 ARG H . 25350 1 842 . 1 1 79 79 ARG HA H 1 3.986 0.020 . 1 . . . A 79 ARG HA . 25350 1 843 . 1 1 79 79 ARG HB2 H 1 1.889 0.020 . 1 . . . A 79 ARG HB2 . 25350 1 844 . 1 1 79 79 ARG HB3 H 1 1.889 0.020 . 1 . . . A 79 ARG HB3 . 25350 1 845 . 1 1 79 79 ARG HG2 H 1 1.625 0.020 . 1 . . . A 79 ARG HG2 . 25350 1 846 . 1 1 79 79 ARG HG3 H 1 1.625 0.020 . 1 . . . A 79 ARG HG3 . 25350 1 847 . 1 1 79 79 ARG HD2 H 1 3.153 0.020 . 1 . . . A 79 ARG HD2 . 25350 1 848 . 1 1 79 79 ARG C C 13 179.640 0.300 . 1 . . . A 79 ARG C . 25350 1 849 . 1 1 79 79 ARG CA C 13 59.449 0.300 . 1 . . . A 79 ARG CA . 25350 1 850 . 1 1 79 79 ARG CB C 13 30.038 0.300 . 1 . . . A 79 ARG CB . 25350 1 851 . 1 1 79 79 ARG CG C 13 27.593 0.300 . 1 . . . A 79 ARG CG . 25350 1 852 . 1 1 79 79 ARG CD C 13 43.576 0.300 . 1 . . . A 79 ARG CD . 25350 1 853 . 1 1 79 79 ARG N N 15 115.864 0.300 . 1 . . . A 79 ARG N . 25350 1 854 . 1 1 80 80 LEU H H 1 7.417 0.020 . 1 . . . A 80 LEU H . 25350 1 855 . 1 1 80 80 LEU HA H 1 3.921 0.020 . 1 . . . A 80 LEU HA . 25350 1 856 . 1 1 80 80 LEU HB2 H 1 1.778 0.020 . 1 . . . A 80 LEU HB2 . 25350 1 857 . 1 1 80 80 LEU HB3 H 1 1.605 0.020 . 1 . . . A 80 LEU HB3 . 25350 1 858 . 1 1 80 80 LEU HG H 1 1.105 0.020 . 1 . . . A 80 LEU HG . 25350 1 859 . 1 1 80 80 LEU HD11 H 1 0.784 0.020 . 1 . . . A 80 LEU HD11 . 25350 1 860 . 1 1 80 80 LEU HD12 H 1 0.784 0.020 . 1 . . . A 80 LEU HD12 . 25350 1 861 . 1 1 80 80 LEU HD13 H 1 0.784 0.020 . 1 . . . A 80 LEU HD13 . 25350 1 862 . 1 1 80 80 LEU HD21 H 1 0.702 0.020 . 1 . . . A 80 LEU HD21 . 25350 1 863 . 1 1 80 80 LEU HD22 H 1 0.702 0.020 . 1 . . . A 80 LEU HD22 . 25350 1 864 . 1 1 80 80 LEU HD23 H 1 0.702 0.020 . 1 . . . A 80 LEU HD23 . 25350 1 865 . 1 1 80 80 LEU C C 13 178.661 0.300 . 1 . . . A 80 LEU C . 25350 1 866 . 1 1 80 80 LEU CA C 13 57.886 0.300 . 1 . . . A 80 LEU CA . 25350 1 867 . 1 1 80 80 LEU CB C 13 42.408 0.300 . 1 . . . A 80 LEU CB . 25350 1 868 . 1 1 80 80 LEU CG C 13 26.017 0.300 . 1 . . . A 80 LEU CG . 25350 1 869 . 1 1 80 80 LEU CD1 C 13 24.919 0.300 . 1 . . . A 80 LEU CD1 . 25350 1 870 . 1 1 80 80 LEU CD2 C 13 23.446 0.300 . 1 . . . A 80 LEU CD2 . 25350 1 871 . 1 1 80 80 LEU N N 15 120.372 0.300 . 1 . . . A 80 LEU N . 25350 1 872 . 1 1 81 81 ARG H H 1 8.397 0.020 . 1 . . . A 81 ARG H . 25350 1 873 . 1 1 81 81 ARG HA H 1 3.915 0.020 . 1 . . . A 81 ARG HA . 25350 1 874 . 1 1 81 81 ARG HB3 H 1 1.890 0.020 . 1 . . . A 81 ARG HB3 . 25350 1 875 . 1 1 81 81 ARG HG2 H 1 1.699 0.020 . 1 . . . A 81 ARG HG2 . 25350 1 876 . 1 1 81 81 ARG HG3 H 1 1.699 0.020 . 1 . . . A 81 ARG HG3 . 25350 1 877 . 1 1 81 81 ARG HD2 H 1 3.243 0.020 . 1 . . . A 81 ARG HD2 . 25350 1 878 . 1 1 81 81 ARG C C 13 179.411 0.300 . 1 . . . A 81 ARG C . 25350 1 879 . 1 1 81 81 ARG CA C 13 57.912 0.300 . 1 . . . A 81 ARG CA . 25350 1 880 . 1 1 81 81 ARG CB C 13 29.374 0.300 . 1 . . . A 81 ARG CB . 25350 1 881 . 1 1 81 81 ARG CG C 13 26.118 0.300 . 1 . . . A 81 ARG CG . 25350 1 882 . 1 1 81 81 ARG CD C 13 41.895 0.300 . 1 . . . A 81 ARG CD . 25350 1 883 . 1 1 81 81 ARG N N 15 114.977 0.300 . 1 . . . A 81 ARG N . 25350 1 884 . 1 1 82 82 ALA H H 1 9.140 0.020 . 1 . . . A 82 ALA H . 25350 1 885 . 1 1 82 82 ALA HA H 1 4.181 0.020 . 1 . . . A 82 ALA HA . 25350 1 886 . 1 1 82 82 ALA HB1 H 1 1.686 0.020 . 1 . . . A 82 ALA HB1 . 25350 1 887 . 1 1 82 82 ALA HB2 H 1 1.686 0.020 . 1 . . . A 82 ALA HB2 . 25350 1 888 . 1 1 82 82 ALA HB3 H 1 1.686 0.020 . 1 . . . A 82 ALA HB3 . 25350 1 889 . 1 1 82 82 ALA C C 13 179.414 0.300 . 1 . . . A 82 ALA C . 25350 1 890 . 1 1 82 82 ALA CA C 13 55.488 0.300 . 1 . . . A 82 ALA CA . 25350 1 891 . 1 1 82 82 ALA CB C 13 18.698 0.300 . 1 . . . A 82 ALA CB . 25350 1 892 . 1 1 82 82 ALA N N 15 119.805 0.300 . 1 . . . A 82 ALA N . 25350 1 893 . 1 1 83 83 SER H H 1 7.751 0.020 . 1 . . . A 83 SER H . 25350 1 894 . 1 1 83 83 SER HA H 1 4.253 0.020 . 1 . . . A 83 SER HA . 25350 1 895 . 1 1 83 83 SER HB2 H 1 4.026 0.020 . 1 . . . A 83 SER HB2 . 25350 1 896 . 1 1 83 83 SER HB3 H 1 4.026 0.020 . 1 . . . A 83 SER HB3 . 25350 1 897 . 1 1 83 83 SER C C 13 179.787 0.300 . 1 . . . A 83 SER C . 25350 1 898 . 1 1 83 83 SER CA C 13 61.927 0.300 . 1 . . . A 83 SER CA . 25350 1 899 . 1 1 83 83 SER CB C 13 62.704 0.300 . 1 . . . A 83 SER CB . 25350 1 900 . 1 1 83 83 SER N N 15 114.702 0.300 . 1 . . . A 83 SER N . 25350 1 901 . 1 1 84 84 TYR H H 1 7.045 0.020 . 1 . . . A 84 TYR H . 25350 1 902 . 1 1 84 84 TYR HA H 1 3.286 0.020 . 1 . . . A 84 TYR HA . 25350 1 903 . 1 1 84 84 TYR HB2 H 1 1.675 0.020 . 1 . . . A 84 TYR HB2 . 25350 1 904 . 1 1 84 84 TYR C C 13 175.253 0.300 . 1 . . . A 84 TYR C . 25350 1 905 . 1 1 84 84 TYR CA C 13 59.142 0.300 . 1 . . . A 84 TYR CA . 25350 1 906 . 1 1 84 84 TYR CB C 13 42.023 0.300 . 1 . . . A 84 TYR CB . 25350 1 907 . 1 1 84 84 TYR N N 15 113.337 0.300 . 1 . . . A 84 TYR N . 25350 1 908 . 1 1 85 85 LEU H H 1 7.817 0.020 . 1 . . . A 85 LEU H . 25350 1 909 . 1 1 85 85 LEU HA H 1 3.793 0.020 . 1 . . . A 85 LEU HA . 25350 1 910 . 1 1 85 85 LEU HB2 H 1 2.365 0.020 . 1 . . . A 85 LEU HB2 . 25350 1 911 . 1 1 85 85 LEU HB3 H 1 1.578 0.020 . 1 . . . A 85 LEU HB3 . 25350 1 912 . 1 1 85 85 LEU HG H 1 1.736 0.020 . 1 . . . A 85 LEU HG . 25350 1 913 . 1 1 85 85 LEU HD11 H 1 1.097 0.020 . 1 . . . A 85 LEU HD11 . 25350 1 914 . 1 1 85 85 LEU HD12 H 1 1.097 0.020 . 1 . . . A 85 LEU HD12 . 25350 1 915 . 1 1 85 85 LEU HD13 H 1 1.097 0.020 . 1 . . . A 85 LEU HD13 . 25350 1 916 . 1 1 85 85 LEU HD21 H 1 1.180 0.020 . 1 . . . A 85 LEU HD21 . 25350 1 917 . 1 1 85 85 LEU HD22 H 1 1.180 0.020 . 1 . . . A 85 LEU HD22 . 25350 1 918 . 1 1 85 85 LEU HD23 H 1 1.180 0.020 . 1 . . . A 85 LEU HD23 . 25350 1 919 . 1 1 85 85 LEU C C 13 177.337 0.300 . 1 . . . A 85 LEU C . 25350 1 920 . 1 1 85 85 LEU CA C 13 59.137 0.300 . 1 . . . A 85 LEU CA . 25350 1 921 . 1 1 85 85 LEU CB C 13 41.724 0.300 . 1 . . . A 85 LEU CB . 25350 1 922 . 1 1 85 85 LEU CG C 13 28.679 0.300 . 1 . . . A 85 LEU CG . 25350 1 923 . 1 1 85 85 LEU CD1 C 13 24.526 0.300 . 1 . . . A 85 LEU CD1 . 25350 1 924 . 1 1 85 85 LEU CD2 C 13 25.833 0.300 . 1 . . . A 85 LEU CD2 . 25350 1 925 . 1 1 85 85 LEU N N 15 121.592 0.300 . 1 . . . A 85 LEU N . 25350 1 926 . 1 1 86 86 ARG H H 1 8.091 0.020 . 1 . . . A 86 ARG H . 25350 1 927 . 1 1 86 86 ARG HA H 1 3.836 0.020 . 1 . . . A 86 ARG HA . 25350 1 928 . 1 1 86 86 ARG HB2 H 1 1.929 0.020 . 1 . . . A 86 ARG HB2 . 25350 1 929 . 1 1 86 86 ARG HB3 H 1 2.182 0.020 . 1 . . . A 86 ARG HB3 . 25350 1 930 . 1 1 86 86 ARG HG2 H 1 1.495 0.020 . 1 . . . A 86 ARG HG2 . 25350 1 931 . 1 1 86 86 ARG HD2 H 1 2.973 0.020 . 1 . . . A 86 ARG HD2 . 25350 1 932 . 1 1 86 86 ARG C C 13 178.060 0.300 . 1 . . . A 86 ARG C . 25350 1 933 . 1 1 86 86 ARG CA C 13 60.211 0.300 . 1 . . . A 86 ARG CA . 25350 1 934 . 1 1 86 86 ARG CB C 13 30.005 0.300 . 1 . . . A 86 ARG CB . 25350 1 935 . 1 1 86 86 ARG CG C 13 24.288 0.300 . 1 . . . A 86 ARG CG . 25350 1 936 . 1 1 86 86 ARG CD C 13 42.142 0.300 . 1 . . . A 86 ARG CD . 25350 1 937 . 1 1 86 86 ARG N N 15 115.275 0.300 . 1 . . . A 86 ARG N . 25350 1 938 . 1 1 87 87 TYR H H 1 8.164 0.020 . 1 . . . A 87 TYR H . 25350 1 939 . 1 1 87 87 TYR HA H 1 4.340 0.020 . 1 . . . A 87 TYR HA . 25350 1 940 . 1 1 87 87 TYR HB2 H 1 2.769 0.020 . 1 . . . A 87 TYR HB2 . 25350 1 941 . 1 1 87 87 TYR HB3 H 1 2.732 0.020 . 1 . . . A 87 TYR HB3 . 25350 1 942 . 1 1 87 87 TYR HD1 H 1 6.915 0.020 . 1 . . . A 87 TYR HD1 . 25350 1 943 . 1 1 87 87 TYR HD2 H 1 7.036 0.020 . 1 . . . A 87 TYR HD2 . 25350 1 944 . 1 1 87 87 TYR HE2 H 1 6.708 0.020 . 1 . . . A 87 TYR HE2 . 25350 1 945 . 1 1 87 87 TYR C C 13 177.599 0.300 . 1 . . . A 87 TYR C . 25350 1 946 . 1 1 87 87 TYR CA C 13 56.443 0.300 . 1 . . . A 87 TYR CA . 25350 1 947 . 1 1 87 87 TYR CB C 13 38.864 0.300 . 1 . . . A 87 TYR CB . 25350 1 948 . 1 1 87 87 TYR CD1 C 13 133.045 0.300 . 1 . . . A 87 TYR CD1 . 25350 1 949 . 1 1 87 87 TYR CE2 C 13 118.489 0.300 . 1 . . . A 87 TYR CE2 . 25350 1 950 . 1 1 87 87 TYR N N 15 115.945 0.300 . 1 . . . A 87 TYR N . 25350 1 951 . 1 1 88 88 ASP H H 1 8.021 0.020 . 1 . . . A 88 ASP H . 25350 1 952 . 1 1 88 88 ASP HA H 1 4.440 0.020 . 1 . . . A 88 ASP HA . 25350 1 953 . 1 1 88 88 ASP HB2 H 1 2.647 0.020 . 1 . . . A 88 ASP HB2 . 25350 1 954 . 1 1 88 88 ASP HB3 H 1 2.554 0.020 . 1 . . . A 88 ASP HB3 . 25350 1 955 . 1 1 88 88 ASP C C 13 178.265 0.300 . 1 . . . A 88 ASP C . 25350 1 956 . 1 1 88 88 ASP CA C 13 57.924 0.300 . 1 . . . A 88 ASP CA . 25350 1 957 . 1 1 88 88 ASP CB C 13 42.144 0.300 . 1 . . . A 88 ASP CB . 25350 1 958 . 1 1 88 88 ASP N N 15 120.649 0.300 . 1 . . . A 88 ASP N . 25350 1 959 . 1 1 89 89 LEU H H 1 8.665 0.020 . 1 . . . A 89 LEU H . 25350 1 960 . 1 1 89 89 LEU HA H 1 4.003 0.020 . 1 . . . A 89 LEU HA . 25350 1 961 . 1 1 89 89 LEU HB2 H 1 2.203 0.020 . 1 . . . A 89 LEU HB2 . 25350 1 962 . 1 1 89 89 LEU HG H 1 1.718 0.020 . 1 . . . A 89 LEU HG . 25350 1 963 . 1 1 89 89 LEU HD11 H 1 1.080 0.020 . 1 . . . A 89 LEU HD11 . 25350 1 964 . 1 1 89 89 LEU HD12 H 1 1.080 0.020 . 1 . . . A 89 LEU HD12 . 25350 1 965 . 1 1 89 89 LEU HD13 H 1 1.080 0.020 . 1 . . . A 89 LEU HD13 . 25350 1 966 . 1 1 89 89 LEU C C 13 178.075 0.300 . 1 . . . A 89 LEU C . 25350 1 967 . 1 1 89 89 LEU CA C 13 58.794 0.300 . 1 . . . A 89 LEU CA . 25350 1 968 . 1 1 89 89 LEU CB C 13 42.181 0.300 . 1 . . . A 89 LEU CB . 25350 1 969 . 1 1 89 89 LEU CG C 13 26.499 0.300 . 1 . . . A 89 LEU CG . 25350 1 970 . 1 1 89 89 LEU CD1 C 13 23.907 0.300 . 1 . . . A 89 LEU CD1 . 25350 1 971 . 1 1 89 89 LEU N N 15 118.115 0.300 . 1 . . . A 89 LEU N . 25350 1 972 . 1 1 90 90 LYS H H 1 8.002 0.020 . 1 . . . A 90 LYS H . 25350 1 973 . 1 1 90 90 LYS HA H 1 3.980 0.020 . 1 . . . A 90 LYS HA . 25350 1 974 . 1 1 90 90 LYS HB2 H 1 1.907 0.020 . 1 . . . A 90 LYS HB2 . 25350 1 975 . 1 1 90 90 LYS HB3 H 1 1.907 0.020 . 1 . . . A 90 LYS HB3 . 25350 1 976 . 1 1 90 90 LYS HG2 H 1 1.782 0.020 . 1 . . . A 90 LYS HG2 . 25350 1 977 . 1 1 90 90 LYS HG3 H 1 1.782 0.020 . 1 . . . A 90 LYS HG3 . 25350 1 978 . 1 1 90 90 LYS HD2 H 1 1.546 0.020 . 1 . . . A 90 LYS HD2 . 25350 1 979 . 1 1 90 90 LYS C C 13 179.669 0.300 . 1 . . . A 90 LYS C . 25350 1 980 . 1 1 90 90 LYS CA C 13 60.118 0.300 . 1 . . . A 90 LYS CA . 25350 1 981 . 1 1 90 90 LYS CB C 13 31.763 0.300 . 1 . . . A 90 LYS CB . 25350 1 982 . 1 1 90 90 LYS CG C 13 25.064 0.300 . 1 . . . A 90 LYS CG . 25350 1 983 . 1 1 90 90 LYS CD C 13 29.370 0.300 . 1 . . . A 90 LYS CD . 25350 1 984 . 1 1 90 90 LYS CE C 13 41.957 0.300 . 1 . . . A 90 LYS CE . 25350 1 985 . 1 1 90 90 LYS N N 15 115.802 0.300 . 1 . . . A 90 LYS N . 25350 1 986 . 1 1 91 91 THR H H 1 7.365 0.020 . 1 . . . A 91 THR H . 25350 1 987 . 1 1 91 91 THR HA H 1 3.838 0.020 . 1 . . . A 91 THR HA . 25350 1 988 . 1 1 91 91 THR HB H 1 4.321 0.020 . 1 . . . A 91 THR HB . 25350 1 989 . 1 1 91 91 THR HG21 H 1 1.269 0.020 . 1 . . . A 91 THR HG21 . 25350 1 990 . 1 1 91 91 THR HG22 H 1 1.269 0.020 . 1 . . . A 91 THR HG22 . 25350 1 991 . 1 1 91 91 THR HG23 H 1 1.269 0.020 . 1 . . . A 91 THR HG23 . 25350 1 992 . 1 1 91 91 THR C C 13 179.536 0.300 . 1 . . . A 91 THR C . 25350 1 993 . 1 1 91 91 THR CA C 13 66.719 0.300 . 1 . . . A 91 THR CA . 25350 1 994 . 1 1 91 91 THR CB C 13 68.426 0.300 . 1 . . . A 91 THR CB . 25350 1 995 . 1 1 91 91 THR CG2 C 13 21.429 0.300 . 1 . . . A 91 THR CG2 . 25350 1 996 . 1 1 91 91 THR N N 15 117.273 0.300 . 1 . . . A 91 THR N . 25350 1 997 . 1 1 92 92 VAL H H 1 7.964 0.020 . 1 . . . A 92 VAL H . 25350 1 998 . 1 1 92 92 VAL HA H 1 3.419 0.020 . 1 . . . A 92 VAL HA . 25350 1 999 . 1 1 92 92 VAL HB H 1 2.160 0.020 . 1 . . . A 92 VAL HB . 25350 1 1000 . 1 1 92 92 VAL HG11 H 1 1.060 0.020 . 1 . . . A 92 VAL HG11 . 25350 1 1001 . 1 1 92 92 VAL HG12 H 1 1.060 0.020 . 1 . . . A 92 VAL HG12 . 25350 1 1002 . 1 1 92 92 VAL HG13 H 1 1.060 0.020 . 1 . . . A 92 VAL HG13 . 25350 1 1003 . 1 1 92 92 VAL HG21 H 1 0.903 0.020 . 1 . . . A 92 VAL HG21 . 25350 1 1004 . 1 1 92 92 VAL HG22 H 1 0.903 0.020 . 1 . . . A 92 VAL HG22 . 25350 1 1005 . 1 1 92 92 VAL HG23 H 1 0.903 0.020 . 1 . . . A 92 VAL HG23 . 25350 1 1006 . 1 1 92 92 VAL C C 13 178.807 0.300 . 1 . . . A 92 VAL C . 25350 1 1007 . 1 1 92 92 VAL CA C 13 67.210 0.300 . 1 . . . A 92 VAL CA . 25350 1 1008 . 1 1 92 92 VAL CB C 13 32.308 0.300 . 1 . . . A 92 VAL CB . 25350 1 1009 . 1 1 92 92 VAL CG1 C 13 22.221 0.300 . 1 . . . A 92 VAL CG1 . 25350 1 1010 . 1 1 92 92 VAL CG2 C 13 21.294 0.300 . 1 . . . A 92 VAL CG2 . 25350 1 1011 . 1 1 92 92 VAL N N 15 118.866 0.300 . 1 . . . A 92 VAL N . 25350 1 1012 . 1 1 93 93 ILE H H 1 8.976 0.020 . 1 . . . A 93 ILE H . 25350 1 1013 . 1 1 93 93 ILE HA H 1 3.378 0.020 . 1 . . . A 93 ILE HA . 25350 1 1014 . 1 1 93 93 ILE HB H 1 1.903 0.020 . 1 . . . A 93 ILE HB . 25350 1 1015 . 1 1 93 93 ILE HG12 H 1 0.830 0.020 . 1 . . . A 93 ILE HG12 . 25350 1 1016 . 1 1 93 93 ILE HG13 H 1 0.806 0.020 . 1 . . . A 93 ILE HG13 . 25350 1 1017 . 1 1 93 93 ILE HG21 H 1 0.954 0.020 . 1 . . . A 93 ILE HG21 . 25350 1 1018 . 1 1 93 93 ILE HG22 H 1 0.954 0.020 . 1 . . . A 93 ILE HG22 . 25350 1 1019 . 1 1 93 93 ILE HG23 H 1 0.954 0.020 . 1 . . . A 93 ILE HG23 . 25350 1 1020 . 1 1 93 93 ILE HD11 H 1 0.837 0.020 . 1 . . . A 93 ILE HD11 . 25350 1 1021 . 1 1 93 93 ILE HD12 H 1 0.837 0.020 . 1 . . . A 93 ILE HD12 . 25350 1 1022 . 1 1 93 93 ILE HD13 H 1 0.837 0.020 . 1 . . . A 93 ILE HD13 . 25350 1 1023 . 1 1 93 93 ILE C C 13 178.037 0.300 . 1 . . . A 93 ILE C . 25350 1 1024 . 1 1 93 93 ILE CA C 13 66.531 0.300 . 1 . . . A 93 ILE CA . 25350 1 1025 . 1 1 93 93 ILE CB C 13 38.361 0.300 . 1 . . . A 93 ILE CB . 25350 1 1026 . 1 1 93 93 ILE CG1 C 13 31.732 0.300 . 1 . . . A 93 ILE CG1 . 25350 1 1027 . 1 1 93 93 ILE CG2 C 13 18.306 0.300 . 1 . . . A 93 ILE CG2 . 25350 1 1028 . 1 1 93 93 ILE CD1 C 13 13.723 0.300 . 1 . . . A 93 ILE CD1 . 25350 1 1029 . 1 1 93 93 ILE N N 15 118.869 0.300 . 1 . . . A 93 ILE N . 25350 1 1030 . 1 1 94 94 SER H H 1 7.757 0.020 . 1 . . . A 94 SER H . 25350 1 1031 . 1 1 94 94 SER HA H 1 4.195 0.020 . 1 . . . A 94 SER HA . 25350 1 1032 . 1 1 94 94 SER HB2 H 1 4.012 0.020 . 1 . . . A 94 SER HB2 . 25350 1 1033 . 1 1 94 94 SER HB3 H 1 4.012 0.020 . 1 . . . A 94 SER HB3 . 25350 1 1034 . 1 1 94 94 SER C C 13 174.264 0.300 . 1 . . . A 94 SER C . 25350 1 1035 . 1 1 94 94 SER CA C 13 61.516 0.300 . 1 . . . A 94 SER CA . 25350 1 1036 . 1 1 94 94 SER CB C 13 62.949 0.300 . 1 . . . A 94 SER CB . 25350 1 1037 . 1 1 94 94 SER N N 15 112.225 0.300 . 1 . . . A 94 SER N . 25350 1 1038 . 1 1 95 95 ALA H H 1 7.159 0.020 . 1 . . . A 95 ALA H . 25350 1 1039 . 1 1 95 95 ALA HA H 1 4.556 0.020 . 1 . . . A 95 ALA HA . 25350 1 1040 . 1 1 95 95 ALA HB1 H 1 1.519 0.020 . 1 . . . A 95 ALA HB1 . 25350 1 1041 . 1 1 95 95 ALA HB2 H 1 1.519 0.020 . 1 . . . A 95 ALA HB2 . 25350 1 1042 . 1 1 95 95 ALA HB3 H 1 1.519 0.020 . 1 . . . A 95 ALA HB3 . 25350 1 1043 . 1 1 95 95 ALA C C 13 177.789 0.300 . 1 . . . A 95 ALA C . 25350 1 1044 . 1 1 95 95 ALA CA C 13 51.612 0.300 . 1 . . . A 95 ALA CA . 25350 1 1045 . 1 1 95 95 ALA CB C 13 19.864 0.300 . 1 . . . A 95 ALA CB . 25350 1 1046 . 1 1 95 95 ALA N N 15 121.015 0.300 . 1 . . . A 95 ALA N . 25350 1 1047 . 1 1 96 96 LYS H H 1 7.439 0.020 . 1 . . . A 96 LYS H . 25350 1 1048 . 1 1 96 96 LYS HA H 1 3.883 0.020 . 1 . . . A 96 LYS HA . 25350 1 1049 . 1 1 96 96 LYS HB2 H 1 1.727 0.020 . 1 . . . A 96 LYS HB2 . 25350 1 1050 . 1 1 96 96 LYS HB3 H 1 1.727 0.020 . 1 . . . A 96 LYS HB3 . 25350 1 1051 . 1 1 96 96 LYS HG2 H 1 1.339 0.020 . 1 . . . A 96 LYS HG2 . 25350 1 1052 . 1 1 96 96 LYS HD2 H 1 1.682 0.020 . 1 . . . A 96 LYS HD2 . 25350 1 1053 . 1 1 96 96 LYS HD3 H 1 1.505 0.020 . 1 . . . A 96 LYS HD3 . 25350 1 1054 . 1 1 96 96 LYS HE2 H 1 3.044 0.020 . 1 . . . A 96 LYS HE2 . 25350 1 1055 . 1 1 96 96 LYS HE3 H 1 2.946 0.020 . 1 . . . A 96 LYS HE3 . 25350 1 1056 . 1 1 96 96 LYS C C 13 174.077 0.300 . 1 . . . A 96 LYS C . 25350 1 1057 . 1 1 96 96 LYS CA C 13 53.400 0.300 . 1 . . . A 96 LYS CA . 25350 1 1058 . 1 1 96 96 LYS CB C 13 32.224 0.300 . 1 . . . A 96 LYS CB . 25350 1 1059 . 1 1 96 96 LYS CG C 13 24.393 0.300 . 1 . . . A 96 LYS CG . 25350 1 1060 . 1 1 96 96 LYS CD C 13 29.128 0.300 . 1 . . . A 96 LYS CD . 25350 1 1061 . 1 1 96 96 LYS CE C 13 41.876 0.300 . 1 . . . A 96 LYS CE . 25350 1 1062 . 1 1 96 96 LYS N N 15 120.570 0.300 . 1 . . . A 96 LYS N . 25350 1 1063 . 1 1 97 97 PRO HA H 1 4.548 0.020 . 1 . . . A 97 PRO HA . 25350 1 1064 . 1 1 97 97 PRO HB2 H 1 2.459 0.020 . 1 . . . A 97 PRO HB2 . 25350 1 1065 . 1 1 97 97 PRO HG2 H 1 2.110 0.020 . 1 . . . A 97 PRO HG2 . 25350 1 1066 . 1 1 97 97 PRO HD2 H 1 3.855 0.020 . 1 . . . A 97 PRO HD2 . 25350 1 1067 . 1 1 97 97 PRO HD3 H 1 3.855 0.020 . 1 . . . A 97 PRO HD3 . 25350 1 1068 . 1 1 97 97 PRO C C 13 177.275 0.300 . 1 . . . A 97 PRO C . 25350 1 1069 . 1 1 97 97 PRO CA C 13 62.529 0.300 . 1 . . . A 97 PRO CA . 25350 1 1070 . 1 1 97 97 PRO CB C 13 32.498 0.300 . 1 . . . A 97 PRO CB . 25350 1 1071 . 1 1 97 97 PRO CG C 13 27.950 0.300 . 1 . . . A 97 PRO CG . 25350 1 1072 . 1 1 97 97 PRO CD C 13 49.790 0.300 . 1 . . . A 97 PRO CD . 25350 1 1073 . 1 1 97 97 PRO N N 15 132.979 0.300 . 1 . . . A 97 PRO N . 25350 1 1074 . 1 1 98 98 LYS H H 1 8.627 0.020 . 1 . . . A 98 LYS H . 25350 1 1075 . 1 1 98 98 LYS HA H 1 3.842 0.020 . 1 . . . A 98 LYS HA . 25350 1 1076 . 1 1 98 98 LYS HB2 H 1 1.864 0.020 . 1 . . . A 98 LYS HB2 . 25350 1 1077 . 1 1 98 98 LYS HG2 H 1 1.541 0.020 . 1 . . . A 98 LYS HG2 . 25350 1 1078 . 1 1 98 98 LYS HG3 H 1 1.541 0.020 . 1 . . . A 98 LYS HG3 . 25350 1 1079 . 1 1 98 98 LYS HD2 H 1 1.724 0.020 . 1 . . . A 98 LYS HD2 . 25350 1 1080 . 1 1 98 98 LYS HE2 H 1 3.072 0.020 . 1 . . . A 98 LYS HE2 . 25350 1 1081 . 1 1 98 98 LYS C C 13 178.098 0.300 . 1 . . . A 98 LYS C . 25350 1 1082 . 1 1 98 98 LYS CA C 13 60.907 0.300 . 1 . . . A 98 LYS CA . 25350 1 1083 . 1 1 98 98 LYS CB C 13 32.911 0.300 . 1 . . . A 98 LYS CB . 25350 1 1084 . 1 1 98 98 LYS CG C 13 24.414 0.300 . 1 . . . A 98 LYS CG . 25350 1 1085 . 1 1 98 98 LYS CD C 13 29.318 0.300 . 1 . . . A 98 LYS CD . 25350 1 1086 . 1 1 98 98 LYS CE C 13 41.859 0.300 . 1 . . . A 98 LYS CE . 25350 1 1087 . 1 1 98 98 LYS N N 15 120.567 0.300 . 1 . . . A 98 LYS N . 25350 1 1088 . 1 1 99 99 ASP H H 1 8.946 0.020 . 1 . . . A 99 ASP H . 25350 1 1089 . 1 1 99 99 ASP HA H 1 4.491 0.020 . 1 . . . A 99 ASP HA . 25350 1 1090 . 1 1 99 99 ASP HB2 H 1 2.762 0.020 . 1 . . . A 99 ASP HB2 . 25350 1 1091 . 1 1 99 99 ASP HB3 H 1 2.647 0.020 . 1 . . . A 99 ASP HB3 . 25350 1 1092 . 1 1 99 99 ASP C C 13 178.051 0.300 . 1 . . . A 99 ASP C . 25350 1 1093 . 1 1 99 99 ASP CA C 13 57.211 0.300 . 1 . . . A 99 ASP CA . 25350 1 1094 . 1 1 99 99 ASP CB C 13 39.740 0.300 . 1 . . . A 99 ASP CB . 25350 1 1095 . 1 1 99 99 ASP N N 15 117.836 0.300 . 1 . . . A 99 ASP N . 25350 1 1096 . 1 1 100 100 GLU H H 1 7.844 0.020 . 1 . . . A 100 GLU H . 25350 1 1097 . 1 1 100 100 GLU HA H 1 4.331 0.020 . 1 . . . A 100 GLU HA . 25350 1 1098 . 1 1 100 100 GLU HB2 H 1 1.908 0.020 . 1 . . . A 100 GLU HB2 . 25350 1 1099 . 1 1 100 100 GLU HG2 H 1 2.310 0.020 . 1 . . . A 100 GLU HG2 . 25350 1 1100 . 1 1 100 100 GLU HG3 H 1 2.310 0.020 . 1 . . . A 100 GLU HG3 . 25350 1 1101 . 1 1 100 100 GLU C C 13 178.194 0.300 . 1 . . . A 100 GLU C . 25350 1 1102 . 1 1 100 100 GLU CA C 13 57.991 0.300 . 1 . . . A 100 GLU CA . 25350 1 1103 . 1 1 100 100 GLU CB C 13 31.097 0.300 . 1 . . . A 100 GLU CB . 25350 1 1104 . 1 1 100 100 GLU CG C 13 36.698 0.300 . 1 . . . A 100 GLU CG . 25350 1 1105 . 1 1 100 100 GLU N N 15 120.622 0.300 . 1 . . . A 100 GLU N . 25350 1 1106 . 1 1 101 101 LYS H H 1 8.340 0.020 . 1 . . . A 101 LYS H . 25350 1 1107 . 1 1 101 101 LYS HA H 1 3.845 0.020 . 1 . . . A 101 LYS HA . 25350 1 1108 . 1 1 101 101 LYS HB2 H 1 1.913 0.020 . 1 . . . A 101 LYS HB2 . 25350 1 1109 . 1 1 101 101 LYS HB3 H 1 1.913 0.020 . 1 . . . A 101 LYS HB3 . 25350 1 1110 . 1 1 101 101 LYS HG2 H 1 1.559 0.020 . 1 . . . A 101 LYS HG2 . 25350 1 1111 . 1 1 101 101 LYS HD2 H 1 1.725 0.020 . 1 . . . A 101 LYS HD2 . 25350 1 1112 . 1 1 101 101 LYS HD3 H 1 1.725 0.020 . 1 . . . A 101 LYS HD3 . 25350 1 1113 . 1 1 101 101 LYS HE2 H 1 2.980 0.020 . 1 . . . A 101 LYS HE2 . 25350 1 1114 . 1 1 101 101 LYS C C 13 178.250 0.300 . 1 . . . A 101 LYS C . 25350 1 1115 . 1 1 101 101 LYS CA C 13 60.617 0.300 . 1 . . . A 101 LYS CA . 25350 1 1116 . 1 1 101 101 LYS CB C 13 32.857 0.300 . 1 . . . A 101 LYS CB . 25350 1 1117 . 1 1 101 101 LYS CG C 13 24.480 0.300 . 1 . . . A 101 LYS CG . 25350 1 1118 . 1 1 101 101 LYS CD C 13 29.896 0.300 . 1 . . . A 101 LYS CD . 25350 1 1119 . 1 1 101 101 LYS CE C 13 42.212 0.300 . 1 . . . A 101 LYS CE . 25350 1 1120 . 1 1 101 101 LYS N N 15 120.722 0.300 . 1 . . . A 101 LYS N . 25350 1 1121 . 1 1 102 102 LYS H H 1 7.837 0.020 . 1 . . . A 102 LYS H . 25350 1 1122 . 1 1 102 102 LYS HA H 1 4.118 0.020 . 1 . . . A 102 LYS HA . 25350 1 1123 . 1 1 102 102 LYS HB2 H 1 1.933 0.020 . 1 . . . A 102 LYS HB2 . 25350 1 1124 . 1 1 102 102 LYS HG2 H 1 1.550 0.020 . 1 . . . A 102 LYS HG2 . 25350 1 1125 . 1 1 102 102 LYS HG3 H 1 1.397 0.020 . 1 . . . A 102 LYS HG3 . 25350 1 1126 . 1 1 102 102 LYS HD2 H 1 1.743 0.020 . 1 . . . A 102 LYS HD2 . 25350 1 1127 . 1 1 102 102 LYS HE2 H 1 2.994 0.020 . 1 . . . A 102 LYS HE2 . 25350 1 1128 . 1 1 102 102 LYS HE3 H 1 2.994 0.020 . 1 . . . A 102 LYS HE3 . 25350 1 1129 . 1 1 102 102 LYS C C 13 179.027 0.300 . 1 . . . A 102 LYS C . 25350 1 1130 . 1 1 102 102 LYS CA C 13 59.678 0.300 . 1 . . . A 102 LYS CA . 25350 1 1131 . 1 1 102 102 LYS CB C 13 32.471 0.300 . 1 . . . A 102 LYS CB . 25350 1 1132 . 1 1 102 102 LYS CG C 13 24.667 0.300 . 1 . . . A 102 LYS CG . 25350 1 1133 . 1 1 102 102 LYS CD C 13 29.043 0.300 . 1 . . . A 102 LYS CD . 25350 1 1134 . 1 1 102 102 LYS CE C 13 41.767 0.300 . 1 . . . A 102 LYS CE . 25350 1 1135 . 1 1 102 102 LYS N N 15 117.984 0.300 . 1 . . . A 102 LYS N . 25350 1 1136 . 1 1 103 103 SER H H 1 7.995 0.020 . 1 . . . A 103 SER H . 25350 1 1137 . 1 1 103 103 SER HA H 1 4.307 0.020 . 1 . . . A 103 SER HA . 25350 1 1138 . 1 1 103 103 SER HB2 H 1 4.036 0.020 . 1 . . . A 103 SER HB2 . 25350 1 1139 . 1 1 103 103 SER HB3 H 1 4.036 0.020 . 1 . . . A 103 SER HB3 . 25350 1 1140 . 1 1 103 103 SER C C 13 177.670 0.300 . 1 . . . A 103 SER C . 25350 1 1141 . 1 1 103 103 SER CA C 13 61.695 0.300 . 1 . . . A 103 SER CA . 25350 1 1142 . 1 1 103 103 SER CB C 13 62.531 0.300 . 1 . . . A 103 SER CB . 25350 1 1143 . 1 1 103 103 SER N N 15 113.241 0.300 . 1 . . . A 103 SER N . 25350 1 1144 . 1 1 104 104 LEU H H 1 8.066 0.020 . 1 . . . A 104 LEU H . 25350 1 1145 . 1 1 104 104 LEU HA H 1 4.242 0.020 . 1 . . . A 104 LEU HA . 25350 1 1146 . 1 1 104 104 LEU HB2 H 1 1.874 0.020 . 1 . . . A 104 LEU HB2 . 25350 1 1147 . 1 1 104 104 LEU HB3 H 1 1.597 0.020 . 1 . . . A 104 LEU HB3 . 25350 1 1148 . 1 1 104 104 LEU HG H 1 1.725 0.020 . 1 . . . A 104 LEU HG . 25350 1 1149 . 1 1 104 104 LEU HD11 H 1 0.943 0.020 . 1 . . . A 104 LEU HD11 . 25350 1 1150 . 1 1 104 104 LEU HD12 H 1 0.943 0.020 . 1 . . . A 104 LEU HD12 . 25350 1 1151 . 1 1 104 104 LEU HD13 H 1 0.943 0.020 . 1 . . . A 104 LEU HD13 . 25350 1 1152 . 1 1 104 104 LEU HD21 H 1 0.848 0.020 . 1 . . . A 104 LEU HD21 . 25350 1 1153 . 1 1 104 104 LEU HD22 H 1 0.848 0.020 . 1 . . . A 104 LEU HD22 . 25350 1 1154 . 1 1 104 104 LEU HD23 H 1 0.848 0.020 . 1 . . . A 104 LEU HD23 . 25350 1 1155 . 1 1 104 104 LEU C C 13 179.883 0.300 . 1 . . . A 104 LEU C . 25350 1 1156 . 1 1 104 104 LEU CA C 13 57.958 0.300 . 1 . . . A 104 LEU CA . 25350 1 1157 . 1 1 104 104 LEU CB C 13 41.934 0.300 . 1 . . . A 104 LEU CB . 25350 1 1158 . 1 1 104 104 LEU CG C 13 27.327 0.300 . 1 . . . A 104 LEU CG . 25350 1 1159 . 1 1 104 104 LEU CD1 C 13 24.467 0.300 . 1 . . . A 104 LEU CD1 . 25350 1 1160 . 1 1 104 104 LEU CD2 C 13 25.132 0.300 . 1 . . . A 104 LEU CD2 . 25350 1 1161 . 1 1 104 104 LEU N N 15 121.281 0.300 . 1 . . . A 104 LEU N . 25350 1 1162 . 1 1 105 105 GLN H H 1 8.965 0.020 . 1 . . . A 105 GLN H . 25350 1 1163 . 1 1 105 105 GLN HA H 1 4.069 0.020 . 1 . . . A 105 GLN HA . 25350 1 1164 . 1 1 105 105 GLN HB2 H 1 2.382 0.020 . 1 . . . A 105 GLN HB2 . 25350 1 1165 . 1 1 105 105 GLN HB3 H 1 2.169 0.020 . 1 . . . A 105 GLN HB3 . 25350 1 1166 . 1 1 105 105 GLN HG2 H 1 2.384 0.020 . 1 . . . A 105 GLN HG2 . 25350 1 1167 . 1 1 105 105 GLN HG3 H 1 2.511 0.020 . 1 . . . A 105 GLN HG3 . 25350 1 1168 . 1 1 105 105 GLN HE21 H 1 6.887 0.020 . 1 . . . A 105 GLN HE21 . 25350 1 1169 . 1 1 105 105 GLN HE22 H 1 7.321 0.020 . 1 . . . A 105 GLN HE22 . 25350 1 1170 . 1 1 105 105 GLN C C 13 178.833 0.300 . 1 . . . A 105 GLN C . 25350 1 1171 . 1 1 105 105 GLN CA C 13 59.586 0.300 . 1 . . . A 105 GLN CA . 25350 1 1172 . 1 1 105 105 GLN CB C 13 28.160 0.300 . 1 . . . A 105 GLN CB . 25350 1 1173 . 1 1 105 105 GLN CG C 13 34.581 0.300 . 1 . . . A 105 GLN CG . 25350 1 1174 . 1 1 105 105 GLN N N 15 122.396 0.300 . 1 . . . A 105 GLN N . 25350 1 1175 . 1 1 105 105 GLN NE2 N 15 111.554 0.300 . 1 . . . A 105 GLN NE2 . 25350 1 1176 . 1 1 106 106 GLU H H 1 8.199 0.020 . 1 . . . A 106 GLU H . 25350 1 1177 . 1 1 106 106 GLU HA H 1 4.138 0.020 . 1 . . . A 106 GLU HA . 25350 1 1178 . 1 1 106 106 GLU HB2 H 1 2.176 0.020 . 1 . . . A 106 GLU HB2 . 25350 1 1179 . 1 1 106 106 GLU HB3 H 1 2.176 0.020 . 1 . . . A 106 GLU HB3 . 25350 1 1180 . 1 1 106 106 GLU HG2 H 1 2.260 0.020 . 1 . . . A 106 GLU HG2 . 25350 1 1181 . 1 1 106 106 GLU HG3 H 1 2.260 0.020 . 1 . . . A 106 GLU HG3 . 25350 1 1182 . 1 1 106 106 GLU C C 13 179.631 0.300 . 1 . . . A 106 GLU C . 25350 1 1183 . 1 1 106 106 GLU CA C 13 59.582 0.300 . 1 . . . A 106 GLU CA . 25350 1 1184 . 1 1 106 106 GLU CB C 13 29.476 0.300 . 1 . . . A 106 GLU CB . 25350 1 1185 . 1 1 106 106 GLU CG C 13 36.731 0.300 . 1 . . . A 106 GLU CG . 25350 1 1186 . 1 1 106 106 GLU N N 15 120.590 0.300 . 1 . . . A 106 GLU N . 25350 1 1187 . 1 1 107 107 LEU H H 1 7.953 0.020 . 1 . . . A 107 LEU H . 25350 1 1188 . 1 1 107 107 LEU HA H 1 4.150 0.020 . 1 . . . A 107 LEU HA . 25350 1 1189 . 1 1 107 107 LEU HB2 H 1 1.896 0.020 . 1 . . . A 107 LEU HB2 . 25350 1 1190 . 1 1 107 107 LEU HB3 H 1 1.627 0.020 . 1 . . . A 107 LEU HB3 . 25350 1 1191 . 1 1 107 107 LEU HG H 1 1.837 0.020 . 1 . . . A 107 LEU HG . 25350 1 1192 . 1 1 107 107 LEU HD11 H 1 0.892 0.020 . 1 . . . A 107 LEU HD11 . 25350 1 1193 . 1 1 107 107 LEU HD12 H 1 0.892 0.020 . 1 . . . A 107 LEU HD12 . 25350 1 1194 . 1 1 107 107 LEU HD13 H 1 0.892 0.020 . 1 . . . A 107 LEU HD13 . 25350 1 1195 . 1 1 107 107 LEU HD21 H 1 0.875 0.020 . 1 . . . A 107 LEU HD21 . 25350 1 1196 . 1 1 107 107 LEU HD22 H 1 0.875 0.020 . 1 . . . A 107 LEU HD22 . 25350 1 1197 . 1 1 107 107 LEU HD23 H 1 0.875 0.020 . 1 . . . A 107 LEU HD23 . 25350 1 1198 . 1 1 107 107 LEU C C 13 179.661 0.300 . 1 . . . A 107 LEU C . 25350 1 1199 . 1 1 107 107 LEU CA C 13 57.706 0.300 . 1 . . . A 107 LEU CA . 25350 1 1200 . 1 1 107 107 LEU CB C 13 42.464 0.300 . 1 . . . A 107 LEU CB . 25350 1 1201 . 1 1 107 107 LEU CG C 13 26.988 0.300 . 1 . . . A 107 LEU CG . 25350 1 1202 . 1 1 107 107 LEU CD1 C 13 25.200 0.300 . 1 . . . A 107 LEU CD1 . 25350 1 1203 . 1 1 107 107 LEU CD2 C 13 23.989 0.300 . 1 . . . A 107 LEU CD2 . 25350 1 1204 . 1 1 107 107 LEU N N 15 119.888 0.300 . 1 . . . A 107 LEU N . 25350 1 1205 . 1 1 108 108 THR H H 1 8.645 0.020 . 1 . . . A 108 THR H . 25350 1 1206 . 1 1 108 108 THR HA H 1 4.299 0.020 . 1 . . . A 108 THR HA . 25350 1 1207 . 1 1 108 108 THR HB H 1 3.734 0.020 . 1 . . . A 108 THR HB . 25350 1 1208 . 1 1 108 108 THR HG21 H 1 1.305 0.020 . 1 . . . A 108 THR HG21 . 25350 1 1209 . 1 1 108 108 THR HG22 H 1 1.305 0.020 . 1 . . . A 108 THR HG22 . 25350 1 1210 . 1 1 108 108 THR HG23 H 1 1.305 0.020 . 1 . . . A 108 THR HG23 . 25350 1 1211 . 1 1 108 108 THR C C 13 176.166 0.300 . 1 . . . A 108 THR C . 25350 1 1212 . 1 1 108 108 THR CA C 13 67.673 0.300 . 1 . . . A 108 THR CA . 25350 1 1213 . 1 1 108 108 THR CB C 13 67.465 0.300 . 1 . . . A 108 THR CB . 25350 1 1214 . 1 1 108 108 THR CG2 C 13 22.759 0.300 . 1 . . . A 108 THR CG2 . 25350 1 1215 . 1 1 108 108 THR N N 15 115.260 0.300 . 1 . . . A 108 THR N . 25350 1 1216 . 1 1 109 109 SER H H 1 8.285 0.020 . 1 . . . A 109 SER H . 25350 1 1217 . 1 1 109 109 SER HA H 1 4.151 0.020 . 1 . . . A 109 SER HA . 25350 1 1218 . 1 1 109 109 SER HB2 H 1 4.054 0.020 . 1 . . . A 109 SER HB2 . 25350 1 1219 . 1 1 109 109 SER HB3 H 1 4.054 0.020 . 1 . . . A 109 SER HB3 . 25350 1 1220 . 1 1 109 109 SER C C 13 177.444 0.300 . 1 . . . A 109 SER C . 25350 1 1221 . 1 1 109 109 SER CA C 13 61.720 0.300 . 1 . . . A 109 SER CA . 25350 1 1222 . 1 1 109 109 SER CB C 13 62.277 0.300 . 1 . . . A 109 SER CB . 25350 1 1223 . 1 1 109 109 SER N N 15 118.325 0.300 . 1 . . . A 109 SER N . 25350 1 1224 . 1 1 110 110 LYS H H 1 7.582 0.020 . 1 . . . A 110 LYS H . 25350 1 1225 . 1 1 110 110 LYS HA H 1 4.128 0.020 . 1 . . . A 110 LYS HA . 25350 1 1226 . 1 1 110 110 LYS HB2 H 1 1.955 0.020 . 1 . . . A 110 LYS HB2 . 25350 1 1227 . 1 1 110 110 LYS HB3 H 1 1.955 0.020 . 1 . . . A 110 LYS HB3 . 25350 1 1228 . 1 1 110 110 LYS HG2 H 1 1.425 0.020 . 1 . . . A 110 LYS HG2 . 25350 1 1229 . 1 1 110 110 LYS HG3 H 1 1.425 0.020 . 1 . . . A 110 LYS HG3 . 25350 1 1230 . 1 1 110 110 LYS HD2 H 1 1.713 0.020 . 1 . . . A 110 LYS HD2 . 25350 1 1231 . 1 1 110 110 LYS HE2 H 1 2.973 0.020 . 1 . . . A 110 LYS HE2 . 25350 1 1232 . 1 1 110 110 LYS C C 13 178.884 0.300 . 1 . . . A 110 LYS C . 25350 1 1233 . 1 1 110 110 LYS CA C 13 59.819 0.300 . 1 . . . A 110 LYS CA . 25350 1 1234 . 1 1 110 110 LYS CB C 13 32.401 0.300 . 1 . . . A 110 LYS CB . 25350 1 1235 . 1 1 110 110 LYS CG C 13 24.862 0.300 . 1 . . . A 110 LYS CG . 25350 1 1236 . 1 1 110 110 LYS CD C 13 29.985 0.300 . 1 . . . A 110 LYS CD . 25350 1 1237 . 1 1 110 110 LYS CE C 13 41.693 0.300 . 1 . . . A 110 LYS CE . 25350 1 1238 . 1 1 110 110 LYS N N 15 122.423 0.300 . 1 . . . A 110 LYS N . 25350 1 1239 . 1 1 111 111 LEU H H 1 7.947 0.020 . 1 . . . A 111 LEU H . 25350 1 1240 . 1 1 111 111 LEU HA H 1 4.086 0.020 . 1 . . . A 111 LEU HA . 25350 1 1241 . 1 1 111 111 LEU HB2 H 1 2.105 0.020 . 1 . . . A 111 LEU HB2 . 25350 1 1242 . 1 1 111 111 LEU HB3 H 1 1.233 0.020 . 1 . . . A 111 LEU HB3 . 25350 1 1243 . 1 1 111 111 LEU HG H 1 0.763 0.020 . 1 . . . A 111 LEU HG . 25350 1 1244 . 1 1 111 111 LEU HD11 H 1 0.572 0.020 . 1 . . . A 111 LEU HD11 . 25350 1 1245 . 1 1 111 111 LEU HD12 H 1 0.572 0.020 . 1 . . . A 111 LEU HD12 . 25350 1 1246 . 1 1 111 111 LEU HD13 H 1 0.572 0.020 . 1 . . . A 111 LEU HD13 . 25350 1 1247 . 1 1 111 111 LEU C C 13 177.917 0.300 . 1 . . . A 111 LEU C . 25350 1 1248 . 1 1 111 111 LEU CA C 13 57.832 0.300 . 1 . . . A 111 LEU CA . 25350 1 1249 . 1 1 111 111 LEU CB C 13 41.085 0.300 . 1 . . . A 111 LEU CB . 25350 1 1250 . 1 1 111 111 LEU CG C 13 25.731 0.300 . 1 . . . A 111 LEU CG . 25350 1 1251 . 1 1 111 111 LEU CD1 C 13 26.208 0.300 . 1 . . . A 111 LEU CD1 . 25350 1 1252 . 1 1 111 111 LEU CD2 C 13 24.423 0.300 . 1 . . . A 111 LEU CD2 . 25350 1 1253 . 1 1 111 111 LEU N N 15 120.270 0.300 . 1 . . . A 111 LEU N . 25350 1 1254 . 1 1 112 112 PHE H H 1 8.697 0.020 . 1 . . . A 112 PHE H . 25350 1 1255 . 1 1 112 112 PHE HA H 1 4.296 0.020 . 1 . . . A 112 PHE HA . 25350 1 1256 . 1 1 112 112 PHE HB2 H 1 3.390 0.020 . 1 . . . A 112 PHE HB2 . 25350 1 1257 . 1 1 112 112 PHE HB3 H 1 3.021 0.020 . 1 . . . A 112 PHE HB3 . 25350 1 1258 . 1 1 112 112 PHE HD1 H 1 7.483 0.020 . 1 . . . A 112 PHE HD1 . 25350 1 1259 . 1 1 112 112 PHE HD2 H 1 7.483 0.020 . 1 . . . A 112 PHE HD2 . 25350 1 1260 . 1 1 112 112 PHE HE1 H 1 7.483 0.020 . 1 . . . A 112 PHE HE1 . 25350 1 1261 . 1 1 112 112 PHE HE2 H 1 7.259 0.020 . 1 . . . A 112 PHE HE2 . 25350 1 1262 . 1 1 112 112 PHE HZ H 1 7.033 0.020 . 1 . . . A 112 PHE HZ . 25350 1 1263 . 1 1 112 112 PHE C C 13 177.965 0.300 . 1 . . . A 112 PHE C . 25350 1 1264 . 1 1 112 112 PHE CA C 13 62.640 0.300 . 1 . . . A 112 PHE CA . 25350 1 1265 . 1 1 112 112 PHE CB C 13 37.213 0.300 . 1 . . . A 112 PHE CB . 25350 1 1266 . 1 1 112 112 PHE CD1 C 13 131.413 0.300 . 1 . . . A 112 PHE CD1 . 25350 1 1267 . 1 1 112 112 PHE CD2 C 13 132.285 0.300 . 1 . . . A 112 PHE CD2 . 25350 1 1268 . 1 1 112 112 PHE CE1 C 13 131.859 0.300 . 1 . . . A 112 PHE CE1 . 25350 1 1269 . 1 1 112 112 PHE CE2 C 13 130.159 0.300 . 1 . . . A 112 PHE CE2 . 25350 1 1270 . 1 1 112 112 PHE CZ C 13 128.399 0.300 . 1 . . . A 112 PHE CZ . 25350 1 1271 . 1 1 112 112 PHE N N 15 116.713 0.300 . 1 . . . A 112 PHE N . 25350 1 1272 . 1 1 113 113 SER H H 1 8.110 0.020 . 1 . . . A 113 SER H . 25350 1 1273 . 1 1 113 113 SER HA H 1 4.470 0.020 . 1 . . . A 113 SER HA . 25350 1 1274 . 1 1 113 113 SER HB2 H 1 4.092 0.020 . 1 . . . A 113 SER HB2 . 25350 1 1275 . 1 1 113 113 SER HB3 H 1 4.045 0.020 . 1 . . . A 113 SER HB3 . 25350 1 1276 . 1 1 113 113 SER C C 13 176.759 0.300 . 1 . . . A 113 SER C . 25350 1 1277 . 1 1 113 113 SER CA C 13 62.121 0.300 . 1 . . . A 113 SER CA . 25350 1 1278 . 1 1 113 113 SER CB C 13 62.139 0.300 . 1 . . . A 113 SER CB . 25350 1 1279 . 1 1 113 113 SER N N 15 116.862 0.300 . 1 . . . A 113 SER N . 25350 1 1280 . 1 1 114 114 SER H H 1 8.165 0.020 . 1 . . . A 114 SER H . 25350 1 1281 . 1 1 114 114 SER HA H 1 4.295 0.020 . 1 . . . A 114 SER HA . 25350 1 1282 . 1 1 114 114 SER HB2 H 1 4.028 0.020 . 1 . . . A 114 SER HB2 . 25350 1 1283 . 1 1 114 114 SER HB3 H 1 4.028 0.020 . 1 . . . A 114 SER HB3 . 25350 1 1284 . 1 1 114 114 SER C C 13 176.318 0.300 . 1 . . . A 114 SER C . 25350 1 1285 . 1 1 114 114 SER CA C 13 62.939 0.300 . 1 . . . A 114 SER CA . 25350 1 1286 . 1 1 114 114 SER CB C 13 63.178 0.300 . 1 . . . A 114 SER CB . 25350 1 1287 . 1 1 114 114 SER N N 15 119.109 0.300 . 1 . . . A 114 SER N . 25350 1 1288 . 1 1 115 115 ILE H H 1 8.135 0.020 . 1 . . . A 115 ILE H . 25350 1 1289 . 1 1 115 115 ILE HA H 1 3.641 0.020 . 1 . . . A 115 ILE HA . 25350 1 1290 . 1 1 115 115 ILE HB H 1 1.998 0.020 . 1 . . . A 115 ILE HB . 25350 1 1291 . 1 1 115 115 ILE HG12 H 1 1.963 0.020 . 1 . . . A 115 ILE HG12 . 25350 1 1292 . 1 1 115 115 ILE HG13 H 1 1.963 0.020 . 1 . . . A 115 ILE HG13 . 25350 1 1293 . 1 1 115 115 ILE HG21 H 1 0.977 0.020 . 1 . . . A 115 ILE HG21 . 25350 1 1294 . 1 1 115 115 ILE HG22 H 1 0.977 0.020 . 1 . . . A 115 ILE HG22 . 25350 1 1295 . 1 1 115 115 ILE HG23 H 1 0.977 0.020 . 1 . . . A 115 ILE HG23 . 25350 1 1296 . 1 1 115 115 ILE HD11 H 1 0.587 0.020 . 1 . . . A 115 ILE HD11 . 25350 1 1297 . 1 1 115 115 ILE HD12 H 1 0.587 0.020 . 1 . . . A 115 ILE HD12 . 25350 1 1298 . 1 1 115 115 ILE HD13 H 1 0.587 0.020 . 1 . . . A 115 ILE HD13 . 25350 1 1299 . 1 1 115 115 ILE C C 13 179.528 0.300 . 1 . . . A 115 ILE C . 25350 1 1300 . 1 1 115 115 ILE CA C 13 66.148 0.300 . 1 . . . A 115 ILE CA . 25350 1 1301 . 1 1 115 115 ILE CB C 13 37.727 0.300 . 1 . . . A 115 ILE CB . 25350 1 1302 . 1 1 115 115 ILE CG1 C 13 30.655 0.300 . 1 . . . A 115 ILE CG1 . 25350 1 1303 . 1 1 115 115 ILE CG2 C 13 16.664 0.300 . 1 . . . A 115 ILE CG2 . 25350 1 1304 . 1 1 115 115 ILE CD1 C 13 13.248 0.300 . 1 . . . A 115 ILE CD1 . 25350 1 1305 . 1 1 115 115 ILE N N 15 123.838 0.300 . 1 . . . A 115 ILE N . 25350 1 1306 . 1 1 116 116 ASP H H 1 8.131 0.020 . 1 . . . A 116 ASP H . 25350 1 1307 . 1 1 116 116 ASP HA H 1 4.439 0.020 . 1 . . . A 116 ASP HA . 25350 1 1308 . 1 1 116 116 ASP HB2 H 1 2.927 0.020 . 1 . . . A 116 ASP HB2 . 25350 1 1309 . 1 1 116 116 ASP HB3 H 1 2.927 0.020 . 1 . . . A 116 ASP HB3 . 25350 1 1310 . 1 1 116 116 ASP C C 13 179.669 0.300 . 1 . . . A 116 ASP C . 25350 1 1311 . 1 1 116 116 ASP CA C 13 57.699 0.300 . 1 . . . A 116 ASP CA . 25350 1 1312 . 1 1 116 116 ASP CB C 13 39.584 0.300 . 1 . . . A 116 ASP CB . 25350 1 1313 . 1 1 116 116 ASP N N 15 120.581 0.300 . 1 . . . A 116 ASP N . 25350 1 1314 . 1 1 117 117 ASN H H 1 7.953 0.020 . 1 . . . A 117 ASN H . 25350 1 1315 . 1 1 117 117 ASN HA H 1 4.320 0.020 . 1 . . . A 117 ASN HA . 25350 1 1316 . 1 1 117 117 ASN HB2 H 1 1.927 0.020 . 1 . . . A 117 ASN HB2 . 25350 1 1317 . 1 1 117 117 ASN HB3 H 1 2.054 0.020 . 1 . . . A 117 ASN HB3 . 25350 1 1318 . 1 1 117 117 ASN C C 13 177.334 0.300 . 1 . . . A 117 ASN C . 25350 1 1319 . 1 1 117 117 ASN CA C 13 55.653 0.300 . 1 . . . A 117 ASN CA . 25350 1 1320 . 1 1 117 117 ASN CB C 13 36.116 0.300 . 1 . . . A 117 ASN CB . 25350 1 1321 . 1 1 117 117 ASN N N 15 119.439 0.300 . 1 . . . A 117 ASN N . 25350 1 1322 . 1 1 118 118 LEU H H 1 8.352 0.020 . 1 . . . A 118 LEU H . 25350 1 1323 . 1 1 118 118 LEU HA H 1 4.244 0.020 . 1 . . . A 118 LEU HA . 25350 1 1324 . 1 1 118 118 LEU HB2 H 1 2.385 0.020 . 1 . . . A 118 LEU HB2 . 25350 1 1325 . 1 1 118 118 LEU HB3 H 1 1.386 0.020 . 1 . . . A 118 LEU HB3 . 25350 1 1326 . 1 1 118 118 LEU HG H 1 0.987 0.020 . 1 . . . A 118 LEU HG . 25350 1 1327 . 1 1 118 118 LEU HD21 H 1 0.758 0.020 . 1 . . . A 118 LEU HD21 . 25350 1 1328 . 1 1 118 118 LEU HD22 H 1 0.758 0.020 . 1 . . . A 118 LEU HD22 . 25350 1 1329 . 1 1 118 118 LEU HD23 H 1 0.758 0.020 . 1 . . . A 118 LEU HD23 . 25350 1 1330 . 1 1 118 118 LEU C C 13 176.811 0.300 . 1 . . . A 118 LEU C . 25350 1 1331 . 1 1 118 118 LEU CA C 13 57.769 0.300 . 1 . . . A 118 LEU CA . 25350 1 1332 . 1 1 118 118 LEU CB C 13 40.877 0.300 . 1 . . . A 118 LEU CB . 25350 1 1333 . 1 1 118 118 LEU CG C 13 26.382 0.300 . 1 . . . A 118 LEU CG . 25350 1 1334 . 1 1 118 118 LEU CD1 C 13 26.106 0.300 . 1 . . . A 118 LEU CD1 . 25350 1 1335 . 1 1 118 118 LEU CD2 C 13 22.422 0.300 . 1 . . . A 118 LEU CD2 . 25350 1 1336 . 1 1 118 118 LEU N N 15 125.510 0.300 . 1 . . . A 118 LEU N . 25350 1 1337 . 1 1 119 119 ASP H H 1 8.579 0.020 . 1 . . . A 119 ASP H . 25350 1 1338 . 1 1 119 119 ASP HA H 1 4.125 0.020 . 1 . . . A 119 ASP HA . 25350 1 1339 . 1 1 119 119 ASP HB2 H 1 3.098 0.020 . 1 . . . A 119 ASP HB2 . 25350 1 1340 . 1 1 119 119 ASP HB3 H 1 2.734 0.020 . 1 . . . A 119 ASP HB3 . 25350 1 1341 . 1 1 119 119 ASP C C 13 178.310 0.300 . 1 . . . A 119 ASP C . 25350 1 1342 . 1 1 119 119 ASP CA C 13 57.940 0.300 . 1 . . . A 119 ASP CA . 25350 1 1343 . 1 1 119 119 ASP CB C 13 41.848 0.300 . 1 . . . A 119 ASP CB . 25350 1 1344 . 1 1 119 119 ASP N N 15 120.222 0.300 . 1 . . . A 119 ASP N . 25350 1 1345 . 1 1 120 120 HIS H H 1 8.170 0.020 . 1 . . . A 120 HIS H . 25350 1 1346 . 1 1 120 120 HIS HA H 1 4.115 0.020 . 1 . . . A 120 HIS HA . 25350 1 1347 . 1 1 120 120 HIS HB2 H 1 3.264 0.020 . 1 . . . A 120 HIS HB2 . 25350 1 1348 . 1 1 120 120 HIS HB3 H 1 3.264 0.020 . 1 . . . A 120 HIS HB3 . 25350 1 1349 . 1 1 120 120 HIS HD2 H 1 7.099 0.020 . 1 . . . A 120 HIS HD2 . 25350 1 1350 . 1 1 120 120 HIS HE1 H 1 7.103 0.020 . 1 . . . A 120 HIS HE1 . 25350 1 1351 . 1 1 120 120 HIS C C 13 176.573 0.300 . 1 . . . A 120 HIS C . 25350 1 1352 . 1 1 120 120 HIS CA C 13 60.844 0.300 . 1 . . . A 120 HIS CA . 25350 1 1353 . 1 1 120 120 HIS CB C 13 29.010 0.300 . 1 . . . A 120 HIS CB . 25350 1 1354 . 1 1 120 120 HIS CD2 C 13 119.739 0.300 . 1 . . . A 120 HIS CD2 . 25350 1 1355 . 1 1 120 120 HIS CE1 C 13 120.309 0.300 . 1 . . . A 120 HIS CE1 . 25350 1 1356 . 1 1 120 120 HIS N N 15 117.587 0.300 . 1 . . . A 120 HIS N . 25350 1 1357 . 1 1 121 121 ALA H H 1 8.168 0.020 . 1 . . . A 121 ALA H . 25350 1 1358 . 1 1 121 121 ALA HA H 1 3.994 0.020 . 1 . . . A 121 ALA HA . 25350 1 1359 . 1 1 121 121 ALA HB1 H 1 1.638 0.020 . 1 . . . A 121 ALA HB1 . 25350 1 1360 . 1 1 121 121 ALA HB2 H 1 1.638 0.020 . 1 . . . A 121 ALA HB2 . 25350 1 1361 . 1 1 121 121 ALA HB3 H 1 1.638 0.020 . 1 . . . A 121 ALA HB3 . 25350 1 1362 . 1 1 121 121 ALA C C 13 178.239 0.300 . 1 . . . A 121 ALA C . 25350 1 1363 . 1 1 121 121 ALA CA C 13 54.800 0.300 . 1 . . . A 121 ALA CA . 25350 1 1364 . 1 1 121 121 ALA CB C 13 17.844 0.300 . 1 . . . A 121 ALA CB . 25350 1 1365 . 1 1 121 121 ALA N N 15 121.398 0.300 . 1 . . . A 121 ALA N . 25350 1 1366 . 1 1 122 122 ALA H H 1 7.822 0.020 . 1 . . . A 122 ALA H . 25350 1 1367 . 1 1 122 122 ALA HA H 1 3.871 0.020 . 1 . . . A 122 ALA HA . 25350 1 1368 . 1 1 122 122 ALA HB1 H 1 1.734 0.020 . 1 . . . A 122 ALA HB1 . 25350 1 1369 . 1 1 122 122 ALA HB2 H 1 1.734 0.020 . 1 . . . A 122 ALA HB2 . 25350 1 1370 . 1 1 122 122 ALA HB3 H 1 1.734 0.020 . 1 . . . A 122 ALA HB3 . 25350 1 1371 . 1 1 122 122 ALA C C 13 179.738 0.300 . 1 . . . A 122 ALA C . 25350 1 1372 . 1 1 122 122 ALA CA C 13 54.459 0.300 . 1 . . . A 122 ALA CA . 25350 1 1373 . 1 1 122 122 ALA CB C 13 19.320 0.300 . 1 . . . A 122 ALA CB . 25350 1 1374 . 1 1 122 122 ALA N N 15 117.609 0.300 . 1 . . . A 122 ALA N . 25350 1 1375 . 1 1 123 123 LYS H H 1 8.062 0.020 . 1 . . . A 123 LYS H . 25350 1 1376 . 1 1 123 123 LYS HA H 1 3.811 0.020 . 1 . . . A 123 LYS HA . 25350 1 1377 . 1 1 123 123 LYS HB2 H 1 1.975 0.020 . 1 . . . A 123 LYS HB2 . 25350 1 1378 . 1 1 123 123 LYS HB3 H 1 1.829 0.020 . 1 . . . A 123 LYS HB3 . 25350 1 1379 . 1 1 123 123 LYS HG2 H 1 1.197 0.020 . 1 . . . A 123 LYS HG2 . 25350 1 1380 . 1 1 123 123 LYS HD2 H 1 1.701 0.020 . 1 . . . A 123 LYS HD2 . 25350 1 1381 . 1 1 123 123 LYS HD3 H 1 1.701 0.020 . 1 . . . A 123 LYS HD3 . 25350 1 1382 . 1 1 123 123 LYS C C 13 178.828 0.300 . 1 . . . A 123 LYS C . 25350 1 1383 . 1 1 123 123 LYS CA C 13 59.565 0.300 . 1 . . . A 123 LYS CA . 25350 1 1384 . 1 1 123 123 LYS CB C 13 32.068 0.300 . 1 . . . A 123 LYS CB . 25350 1 1385 . 1 1 123 123 LYS CG C 13 24.872 0.300 . 1 . . . A 123 LYS CG . 25350 1 1386 . 1 1 123 123 LYS CD C 13 29.413 0.300 . 1 . . . A 123 LYS CD . 25350 1 1387 . 1 1 123 123 LYS CE C 13 42.048 0.300 . 1 . . . A 123 LYS CE . 25350 1 1388 . 1 1 123 123 LYS N N 15 122.148 0.300 . 1 . . . A 123 LYS N . 25350 1 1389 . 1 1 124 124 ILE H H 1 7.457 0.020 . 1 . . . A 124 ILE H . 25350 1 1390 . 1 1 124 124 ILE HA H 1 4.128 0.020 . 1 . . . A 124 ILE HA . 25350 1 1391 . 1 1 124 124 ILE HB H 1 1.994 0.020 . 1 . . . A 124 ILE HB . 25350 1 1392 . 1 1 124 124 ILE HG12 H 1 0.959 0.020 . 1 . . . A 124 ILE HG12 . 25350 1 1393 . 1 1 124 124 ILE HG13 H 1 0.959 0.020 . 1 . . . A 124 ILE HG13 . 25350 1 1394 . 1 1 124 124 ILE HG21 H 1 0.578 0.020 . 1 . . . A 124 ILE HG21 . 25350 1 1395 . 1 1 124 124 ILE HG22 H 1 0.578 0.020 . 1 . . . A 124 ILE HG22 . 25350 1 1396 . 1 1 124 124 ILE HG23 H 1 0.578 0.020 . 1 . . . A 124 ILE HG23 . 25350 1 1397 . 1 1 124 124 ILE HD11 H 1 0.807 0.020 . 1 . . . A 124 ILE HD11 . 25350 1 1398 . 1 1 124 124 ILE HD12 H 1 0.807 0.020 . 1 . . . A 124 ILE HD12 . 25350 1 1399 . 1 1 124 124 ILE HD13 H 1 0.807 0.020 . 1 . . . A 124 ILE HD13 . 25350 1 1400 . 1 1 124 124 ILE C C 13 174.838 0.300 . 1 . . . A 124 ILE C . 25350 1 1401 . 1 1 124 124 ILE CA C 13 61.063 0.300 . 1 . . . A 124 ILE CA . 25350 1 1402 . 1 1 124 124 ILE CB C 13 37.200 0.300 . 1 . . . A 124 ILE CB . 25350 1 1403 . 1 1 124 124 ILE CG1 C 13 25.821 0.300 . 1 . . . A 124 ILE CG1 . 25350 1 1404 . 1 1 124 124 ILE CG2 C 13 17.317 0.300 . 1 . . . A 124 ILE CG2 . 25350 1 1405 . 1 1 124 124 ILE CD1 C 13 13.931 0.300 . 1 . . . A 124 ILE CD1 . 25350 1 1406 . 1 1 124 124 ILE N N 15 108.686 0.300 . 1 . . . A 124 ILE N . 25350 1 1407 . 1 1 125 125 LYS H H 1 7.121 0.020 . 1 . . . A 125 LYS H . 25350 1 1408 . 1 1 125 125 LYS HA H 1 4.294 0.020 . 1 . . . A 125 LYS HA . 25350 1 1409 . 1 1 125 125 LYS HB2 H 1 1.733 0.020 . 1 . . . A 125 LYS HB2 . 25350 1 1410 . 1 1 125 125 LYS HB3 H 1 1.733 0.020 . 1 . . . A 125 LYS HB3 . 25350 1 1411 . 1 1 125 125 LYS HG2 H 1 1.427 0.020 . 1 . . . A 125 LYS HG2 . 25350 1 1412 . 1 1 125 125 LYS HG3 H 1 1.427 0.020 . 1 . . . A 125 LYS HG3 . 25350 1 1413 . 1 1 125 125 LYS HD2 H 1 1.671 0.020 . 1 . . . A 125 LYS HD2 . 25350 1 1414 . 1 1 125 125 LYS HD3 H 1 1.671 0.020 . 1 . . . A 125 LYS HD3 . 25350 1 1415 . 1 1 125 125 LYS HE2 H 1 2.992 0.020 . 1 . . . A 125 LYS HE2 . 25350 1 1416 . 1 1 125 125 LYS HE3 H 1 2.992 0.020 . 1 . . . A 125 LYS HE3 . 25350 1 1417 . 1 1 125 125 LYS C C 13 174.814 0.300 . 1 . . . A 125 LYS C . 25350 1 1418 . 1 1 125 125 LYS CA C 13 55.940 0.300 . 1 . . . A 125 LYS CA . 25350 1 1419 . 1 1 125 125 LYS CB C 13 28.903 0.300 . 1 . . . A 125 LYS CB . 25350 1 1420 . 1 1 125 125 LYS CG C 13 24.749 0.300 . 1 . . . A 125 LYS CG . 25350 1 1421 . 1 1 125 125 LYS CD C 13 28.147 0.300 . 1 . . . A 125 LYS CD . 25350 1 1422 . 1 1 125 125 LYS CE C 13 41.750 0.300 . 1 . . . A 125 LYS CE . 25350 1 1423 . 1 1 125 125 LYS N N 15 120.011 0.300 . 1 . . . A 125 LYS N . 25350 1 1424 . 1 1 126 126 SER H H 1 7.274 0.020 . 1 . . . A 126 SER H . 25350 1 1425 . 1 1 126 126 SER HA H 1 5.103 0.020 . 1 . . . A 126 SER HA . 25350 1 1426 . 1 1 126 126 SER HB2 H 1 3.597 0.020 . 1 . . . A 126 SER HB2 . 25350 1 1427 . 1 1 126 126 SER HB3 H 1 3.597 0.020 . 1 . . . A 126 SER HB3 . 25350 1 1428 . 1 1 126 126 SER C C 13 173.482 0.300 . 1 . . . A 126 SER C . 25350 1 1429 . 1 1 126 126 SER CA C 13 53.133 0.300 . 1 . . . A 126 SER CA . 25350 1 1430 . 1 1 126 126 SER CB C 13 63.518 0.300 . 1 . . . A 126 SER CB . 25350 1 1431 . 1 1 126 126 SER N N 15 111.274 0.300 . 1 . . . A 126 SER N . 25350 1 1432 . 1 1 127 127 PRO HA H 1 4.480 0.020 . 1 . . . A 127 PRO HA . 25350 1 1433 . 1 1 127 127 PRO HB2 H 1 2.718 0.020 . 1 . . . A 127 PRO HB2 . 25350 1 1434 . 1 1 127 127 PRO HB3 H 1 2.281 0.020 . 1 . . . A 127 PRO HB3 . 25350 1 1435 . 1 1 127 127 PRO HG2 H 1 2.044 0.020 . 1 . . . A 127 PRO HG2 . 25350 1 1436 . 1 1 127 127 PRO HG3 H 1 2.044 0.020 . 1 . . . A 127 PRO HG3 . 25350 1 1437 . 1 1 127 127 PRO HD2 H 1 3.805 0.020 . 1 . . . A 127 PRO HD2 . 25350 1 1438 . 1 1 127 127 PRO HD3 H 1 3.563 0.020 . 1 . . . A 127 PRO HD3 . 25350 1 1439 . 1 1 127 127 PRO C C 13 179.083 0.300 . 1 . . . A 127 PRO C . 25350 1 1440 . 1 1 127 127 PRO CA C 13 65.872 0.300 . 1 . . . A 127 PRO CA . 25350 1 1441 . 1 1 127 127 PRO CB C 13 32.537 0.300 . 1 . . . A 127 PRO CB . 25350 1 1442 . 1 1 127 127 PRO CG C 13 28.176 0.300 . 1 . . . A 127 PRO CG . 25350 1 1443 . 1 1 127 127 PRO CD C 13 49.964 0.300 . 1 . . . A 127 PRO CD . 25350 1 1444 . 1 1 128 128 THR H H 1 7.833 0.020 . 1 . . . A 128 THR H . 25350 1 1445 . 1 1 128 128 THR HA H 1 4.145 0.020 . 1 . . . A 128 THR HA . 25350 1 1446 . 1 1 128 128 THR HB H 1 4.143 0.020 . 1 . . . A 128 THR HB . 25350 1 1447 . 1 1 128 128 THR HG21 H 1 1.305 0.020 . 1 . . . A 128 THR HG21 . 25350 1 1448 . 1 1 128 128 THR HG22 H 1 1.305 0.020 . 1 . . . A 128 THR HG22 . 25350 1 1449 . 1 1 128 128 THR HG23 H 1 1.305 0.020 . 1 . . . A 128 THR HG23 . 25350 1 1450 . 1 1 128 128 THR C C 13 178.503 0.300 . 1 . . . A 128 THR C . 25350 1 1451 . 1 1 128 128 THR CA C 13 65.146 0.300 . 1 . . . A 128 THR CA . 25350 1 1452 . 1 1 128 128 THR CB C 13 67.844 0.300 . 1 . . . A 128 THR CB . 25350 1 1453 . 1 1 128 128 THR CG2 C 13 22.186 0.300 . 1 . . . A 128 THR CG2 . 25350 1 1454 . 1 1 128 128 THR N N 15 109.654 0.300 . 1 . . . A 128 THR N . 25350 1 1455 . 1 1 129 129 GLU H H 1 8.077 0.020 . 1 . . . A 129 GLU H . 25350 1 1456 . 1 1 129 129 GLU HA H 1 4.096 0.020 . 1 . . . A 129 GLU HA . 25350 1 1457 . 1 1 129 129 GLU HB2 H 1 2.210 0.020 . 1 . . . A 129 GLU HB2 . 25350 1 1458 . 1 1 129 129 GLU HB3 H 1 2.169 0.020 . 1 . . . A 129 GLU HB3 . 25350 1 1459 . 1 1 129 129 GLU HG2 H 1 2.539 0.020 . 1 . . . A 129 GLU HG2 . 25350 1 1460 . 1 1 129 129 GLU C C 13 178.122 0.300 . 1 . . . A 129 GLU C . 25350 1 1461 . 1 1 129 129 GLU CA C 13 58.732 0.300 . 1 . . . A 129 GLU CA . 25350 1 1462 . 1 1 129 129 GLU CB C 13 30.403 0.300 . 1 . . . A 129 GLU CB . 25350 1 1463 . 1 1 129 129 GLU CG C 13 37.032 0.300 . 1 . . . A 129 GLU CG . 25350 1 1464 . 1 1 129 129 GLU N N 15 122.672 0.300 . 1 . . . A 129 GLU N . 25350 1 1465 . 1 1 130 130 ALA H H 1 8.733 0.020 . 1 . . . A 130 ALA H . 25350 1 1466 . 1 1 130 130 ALA HA H 1 4.060 0.020 . 1 . . . A 130 ALA HA . 25350 1 1467 . 1 1 130 130 ALA HB1 H 1 1.528 0.020 . 1 . . . A 130 ALA HB1 . 25350 1 1468 . 1 1 130 130 ALA HB2 H 1 1.528 0.020 . 1 . . . A 130 ALA HB2 . 25350 1 1469 . 1 1 130 130 ALA HB3 H 1 1.528 0.020 . 1 . . . A 130 ALA HB3 . 25350 1 1470 . 1 1 130 130 ALA C C 13 179.145 0.300 . 1 . . . A 130 ALA C . 25350 1 1471 . 1 1 130 130 ALA CA C 13 55.514 0.300 . 1 . . . A 130 ALA CA . 25350 1 1472 . 1 1 130 130 ALA CB C 13 18.188 0.300 . 1 . . . A 130 ALA CB . 25350 1 1473 . 1 1 130 130 ALA N N 15 122.154 0.300 . 1 . . . A 130 ALA N . 25350 1 1474 . 1 1 131 131 GLU H H 1 8.348 0.020 . 1 . . . A 131 GLU H . 25350 1 1475 . 1 1 131 131 GLU HA H 1 4.073 0.020 . 1 . . . A 131 GLU HA . 25350 1 1476 . 1 1 131 131 GLU HB2 H 1 2.138 0.020 . 1 . . . A 131 GLU HB2 . 25350 1 1477 . 1 1 131 131 GLU HG2 H 1 2.517 0.020 . 1 . . . A 131 GLU HG2 . 25350 1 1478 . 1 1 131 131 GLU HG3 H 1 2.283 0.020 . 1 . . . A 131 GLU HG3 . 25350 1 1479 . 1 1 131 131 GLU C C 13 179.714 0.300 . 1 . . . A 131 GLU C . 25350 1 1480 . 1 1 131 131 GLU CA C 13 60.181 0.300 . 1 . . . A 131 GLU CA . 25350 1 1481 . 1 1 131 131 GLU CB C 13 29.454 0.300 . 1 . . . A 131 GLU CB . 25350 1 1482 . 1 1 131 131 GLU CG C 13 36.182 0.300 . 1 . . . A 131 GLU CG . 25350 1 1483 . 1 1 131 131 GLU N N 15 117.714 0.300 . 1 . . . A 131 GLU N . 25350 1 1484 . 1 1 132 132 LYS H H 1 7.595 0.020 . 1 . . . A 132 LYS H . 25350 1 1485 . 1 1 132 132 LYS HA H 1 4.042 0.020 . 1 . . . A 132 LYS HA . 25350 1 1486 . 1 1 132 132 LYS HB2 H 1 1.626 0.020 . 1 . . . A 132 LYS HB2 . 25350 1 1487 . 1 1 132 132 LYS HB3 H 1 1.626 0.020 . 1 . . . A 132 LYS HB3 . 25350 1 1488 . 1 1 132 132 LYS HG2 H 1 1.207 0.020 . 1 . . . A 132 LYS HG2 . 25350 1 1489 . 1 1 132 132 LYS HG3 H 1 1.207 0.020 . 1 . . . A 132 LYS HG3 . 25350 1 1490 . 1 1 132 132 LYS HD2 H 1 1.389 0.020 . 1 . . . A 132 LYS HD2 . 25350 1 1491 . 1 1 132 132 LYS HD3 H 1 1.278 0.020 . 1 . . . A 132 LYS HD3 . 25350 1 1492 . 1 1 132 132 LYS HE2 H 1 2.585 0.020 . 1 . . . A 132 LYS HE2 . 25350 1 1493 . 1 1 132 132 LYS C C 13 180.047 0.300 . 1 . . . A 132 LYS C . 25350 1 1494 . 1 1 132 132 LYS CA C 13 59.034 0.300 . 1 . . . A 132 LYS CA . 25350 1 1495 . 1 1 132 132 LYS CB C 13 32.176 0.300 . 1 . . . A 132 LYS CB . 25350 1 1496 . 1 1 132 132 LYS CG C 13 23.686 0.300 . 1 . . . A 132 LYS CG . 25350 1 1497 . 1 1 132 132 LYS CD C 13 29.331 0.300 . 1 . . . A 132 LYS CD . 25350 1 1498 . 1 1 132 132 LYS CE C 13 41.658 0.300 . 1 . . . A 132 LYS CE . 25350 1 1499 . 1 1 132 132 LYS N N 15 120.922 0.300 . 1 . . . A 132 LYS N . 25350 1 1500 . 1 1 133 133 TYR H H 1 8.568 0.020 . 1 . . . A 133 TYR H . 25350 1 1501 . 1 1 133 133 TYR HA H 1 4.475 0.020 . 1 . . . A 133 TYR HA . 25350 1 1502 . 1 1 133 133 TYR HB2 H 1 3.406 0.020 . 1 . . . A 133 TYR HB2 . 25350 1 1503 . 1 1 133 133 TYR HB3 H 1 2.570 0.020 . 1 . . . A 133 TYR HB3 . 25350 1 1504 . 1 1 133 133 TYR HD1 H 1 6.952 0.020 . 1 . . . A 133 TYR HD1 . 25350 1 1505 . 1 1 133 133 TYR HD2 H 1 7.123 0.020 . 1 . . . A 133 TYR HD2 . 25350 1 1506 . 1 1 133 133 TYR HE1 H 1 6.984 0.020 . 1 . . . A 133 TYR HE1 . 25350 1 1507 . 1 1 133 133 TYR HE2 H 1 6.612 0.020 . 1 . . . A 133 TYR HE2 . 25350 1 1508 . 1 1 133 133 TYR C C 13 179.167 0.300 . 1 . . . A 133 TYR C . 25350 1 1509 . 1 1 133 133 TYR CA C 13 62.581 0.300 . 1 . . . A 133 TYR CA . 25350 1 1510 . 1 1 133 133 TYR CB C 13 36.957 0.300 . 1 . . . A 133 TYR CB . 25350 1 1511 . 1 1 133 133 TYR CD1 C 13 131.438 0.300 . 1 . . . A 133 TYR CD1 . 25350 1 1512 . 1 1 133 133 TYR CD2 C 13 132.555 0.300 . 1 . . . A 133 TYR CD2 . 25350 1 1513 . 1 1 133 133 TYR CE1 C 13 118.754 0.300 . 1 . . . A 133 TYR CE1 . 25350 1 1514 . 1 1 133 133 TYR CE2 C 13 117.863 0.300 . 1 . . . A 133 TYR CE2 . 25350 1 1515 . 1 1 133 133 TYR N N 15 116.687 0.300 . 1 . . . A 133 TYR N . 25350 1 1516 . 1 1 134 134 TYR H H 1 9.591 0.020 . 1 . . . A 134 TYR H . 25350 1 1517 . 1 1 134 134 TYR HA H 1 4.180 0.020 . 1 . . . A 134 TYR HA . 25350 1 1518 . 1 1 134 134 TYR HB2 H 1 3.154 0.020 . 1 . . . A 134 TYR HB2 . 25350 1 1519 . 1 1 134 134 TYR HB3 H 1 3.154 0.020 . 1 . . . A 134 TYR HB3 . 25350 1 1520 . 1 1 134 134 TYR HD1 H 1 6.975 0.020 . 1 . . . A 134 TYR HD1 . 25350 1 1521 . 1 1 134 134 TYR HD2 H 1 7.099 0.020 . 1 . . . A 134 TYR HD2 . 25350 1 1522 . 1 1 134 134 TYR HE1 H 1 6.826 0.020 . 1 . . . A 134 TYR HE1 . 25350 1 1523 . 1 1 134 134 TYR HE2 H 1 7.054 0.020 . 1 . . . A 134 TYR HE2 . 25350 1 1524 . 1 1 134 134 TYR C C 13 176.382 0.300 . 1 . . . A 134 TYR C . 25350 1 1525 . 1 1 134 134 TYR CA C 13 63.329 0.300 . 1 . . . A 134 TYR CA . 25350 1 1526 . 1 1 134 134 TYR CB C 13 38.054 0.300 . 1 . . . A 134 TYR CB . 25350 1 1527 . 1 1 134 134 TYR CD1 C 13 132.378 0.300 . 1 . . . A 134 TYR CD1 . 25350 1 1528 . 1 1 134 134 TYR CD2 C 13 133.722 0.300 . 1 . . . A 134 TYR CD2 . 25350 1 1529 . 1 1 134 134 TYR CE1 C 13 118.558 0.300 . 1 . . . A 134 TYR CE1 . 25350 1 1530 . 1 1 134 134 TYR CE2 C 13 117.713 0.300 . 1 . . . A 134 TYR CE2 . 25350 1 1531 . 1 1 134 134 TYR N N 15 126.966 0.300 . 1 . . . A 134 TYR N . 25350 1 1532 . 1 1 135 135 GLY H H 1 8.182 0.020 . 1 . . . A 135 GLY H . 25350 1 1533 . 1 1 135 135 GLY HA2 H 1 4.046 0.020 . 1 . . . A 135 GLY HA2 . 25350 1 1534 . 1 1 135 135 GLY HA3 H 1 3.677 0.020 . 1 . . . A 135 GLY HA3 . 25350 1 1535 . 1 1 135 135 GLY C C 13 177.239 0.300 . 1 . . . A 135 GLY C . 25350 1 1536 . 1 1 135 135 GLY CA C 13 47.426 0.300 . 1 . . . A 135 GLY CA . 25350 1 1537 . 1 1 135 135 GLY N N 15 106.437 0.300 . 1 . . . A 135 GLY N . 25350 1 1538 . 1 1 136 136 GLN H H 1 7.615 0.020 . 1 . . . A 136 GLN H . 25350 1 1539 . 1 1 136 136 GLN HA H 1 4.150 0.020 . 1 . . . A 136 GLN HA . 25350 1 1540 . 1 1 136 136 GLN HB2 H 1 2.184 0.020 . 1 . . . A 136 GLN HB2 . 25350 1 1541 . 1 1 136 136 GLN HB3 H 1 2.115 0.020 . 1 . . . A 136 GLN HB3 . 25350 1 1542 . 1 1 136 136 GLN HG2 H 1 2.596 0.020 . 1 . . . A 136 GLN HG2 . 25350 1 1543 . 1 1 136 136 GLN HG3 H 1 2.479 0.020 . 1 . . . A 136 GLN HG3 . 25350 1 1544 . 1 1 136 136 GLN HE21 H 1 6.984 0.020 . 1 . . . A 136 GLN HE21 . 25350 1 1545 . 1 1 136 136 GLN HE22 H 1 7.554 0.020 . 1 . . . A 136 GLN HE22 . 25350 1 1546 . 1 1 136 136 GLN C C 13 177.682 0.300 . 1 . . . A 136 GLN C . 25350 1 1547 . 1 1 136 136 GLN CA C 13 59.093 0.300 . 1 . . . A 136 GLN CA . 25350 1 1548 . 1 1 136 136 GLN CB C 13 28.789 0.300 . 1 . . . A 136 GLN CB . 25350 1 1549 . 1 1 136 136 GLN CG C 13 33.901 0.300 . 1 . . . A 136 GLN CG . 25350 1 1550 . 1 1 136 136 GLN N N 15 119.338 0.300 . 1 . . . A 136 GLN N . 25350 1 1551 . 1 1 136 136 GLN NE2 N 15 110.710 0.300 . 1 . . . A 136 GLN NE2 . 25350 1 1552 . 1 1 137 137 THR H H 1 8.053 0.020 . 1 . . . A 137 THR H . 25350 1 1553 . 1 1 137 137 THR HA H 1 4.131 0.020 . 1 . . . A 137 THR HA . 25350 1 1554 . 1 1 137 137 THR HB H 1 3.988 0.020 . 1 . . . A 137 THR HB . 25350 1 1555 . 1 1 137 137 THR HG21 H 1 1.282 0.020 . 1 . . . A 137 THR HG21 . 25350 1 1556 . 1 1 137 137 THR HG22 H 1 1.282 0.020 . 1 . . . A 137 THR HG22 . 25350 1 1557 . 1 1 137 137 THR HG23 H 1 1.282 0.020 . 1 . . . A 137 THR HG23 . 25350 1 1558 . 1 1 137 137 THR C C 13 177.307 0.300 . 1 . . . A 137 THR C . 25350 1 1559 . 1 1 137 137 THR CA C 13 68.317 0.300 . 1 . . . A 137 THR CA . 25350 1 1560 . 1 1 137 137 THR CB C 13 67.191 0.300 . 1 . . . A 137 THR CB . 25350 1 1561 . 1 1 137 137 THR CG2 C 13 21.626 0.300 . 1 . . . A 137 THR CG2 . 25350 1 1562 . 1 1 137 137 THR N N 15 118.566 0.300 . 1 . . . A 137 THR N . 25350 1 1563 . 1 1 138 138 VAL H H 1 8.324 0.020 . 1 . . . A 138 VAL H . 25350 1 1564 . 1 1 138 138 VAL HA H 1 3.191 0.020 . 1 . . . A 138 VAL HA . 25350 1 1565 . 1 1 138 138 VAL HB H 1 1.973 0.020 . 1 . . . A 138 VAL HB . 25350 1 1566 . 1 1 138 138 VAL HG11 H 1 0.484 0.020 . 1 . . . A 138 VAL HG11 . 25350 1 1567 . 1 1 138 138 VAL HG12 H 1 0.484 0.020 . 1 . . . A 138 VAL HG12 . 25350 1 1568 . 1 1 138 138 VAL HG13 H 1 0.484 0.020 . 1 . . . A 138 VAL HG13 . 25350 1 1569 . 1 1 138 138 VAL HG21 H 1 0.825 0.020 . 1 . . . A 138 VAL HG21 . 25350 1 1570 . 1 1 138 138 VAL HG22 H 1 0.825 0.020 . 1 . . . A 138 VAL HG22 . 25350 1 1571 . 1 1 138 138 VAL HG23 H 1 0.825 0.020 . 1 . . . A 138 VAL HG23 . 25350 1 1572 . 1 1 138 138 VAL C C 13 177.718 0.300 . 1 . . . A 138 VAL C . 25350 1 1573 . 1 1 138 138 VAL CA C 13 67.231 0.300 . 1 . . . A 138 VAL CA . 25350 1 1574 . 1 1 138 138 VAL CB C 13 31.430 0.300 . 1 . . . A 138 VAL CB . 25350 1 1575 . 1 1 138 138 VAL CG1 C 13 22.480 0.300 . 1 . . . A 138 VAL CG1 . 25350 1 1576 . 1 1 138 138 VAL CG2 C 13 20.687 0.300 . 1 . . . A 138 VAL CG2 . 25350 1 1577 . 1 1 138 138 VAL N N 15 121.457 0.300 . 1 . . . A 138 VAL N . 25350 1 1578 . 1 1 139 139 SER H H 1 7.481 0.020 . 1 . . . A 139 SER H . 25350 1 1579 . 1 1 139 139 SER HA H 1 4.189 0.020 . 1 . . . A 139 SER HA . 25350 1 1580 . 1 1 139 139 SER HB2 H 1 4.007 0.020 . 1 . . . A 139 SER HB2 . 25350 1 1581 . 1 1 139 139 SER HB3 H 1 3.936 0.020 . 1 . . . A 139 SER HB3 . 25350 1 1582 . 1 1 139 139 SER C C 13 177.385 0.300 . 1 . . . A 139 SER C . 25350 1 1583 . 1 1 139 139 SER CA C 13 61.748 0.300 . 1 . . . A 139 SER CA . 25350 1 1584 . 1 1 139 139 SER CB C 13 62.475 0.300 . 1 . . . A 139 SER CB . 25350 1 1585 . 1 1 139 139 SER N N 15 113.316 0.300 . 1 . . . A 139 SER N . 25350 1 1586 . 1 1 140 140 ASN H H 1 8.467 0.020 . 1 . . . A 140 ASN H . 25350 1 1587 . 1 1 140 140 ASN HA H 1 4.546 0.020 . 1 . . . A 140 ASN HA . 25350 1 1588 . 1 1 140 140 ASN HB2 H 1 2.860 0.020 . 1 . . . A 140 ASN HB2 . 25350 1 1589 . 1 1 140 140 ASN HB3 H 1 2.551 0.020 . 1 . . . A 140 ASN HB3 . 25350 1 1590 . 1 1 140 140 ASN HD21 H 1 7.190 0.020 . 1 . . . A 140 ASN HD21 . 25350 1 1591 . 1 1 140 140 ASN HD22 H 1 7.080 0.020 . 1 . . . A 140 ASN HD22 . 25350 1 1592 . 1 1 140 140 ASN C C 13 178.003 0.300 . 1 . . . A 140 ASN C . 25350 1 1593 . 1 1 140 140 ASN CA C 13 55.941 0.300 . 1 . . . A 140 ASN CA . 25350 1 1594 . 1 1 140 140 ASN CB C 13 38.909 0.300 . 1 . . . A 140 ASN CB . 25350 1 1595 . 1 1 140 140 ASN N N 15 119.386 0.300 . 1 . . . A 140 ASN N . 25350 1 1596 . 1 1 140 140 ASN ND2 N 15 110.176 0.300 . 1 . . . A 140 ASN ND2 . 25350 1 1597 . 1 1 141 141 ILE H H 1 9.189 0.020 . 1 . . . A 141 ILE H . 25350 1 1598 . 1 1 141 141 ILE HA H 1 3.549 0.020 . 1 . . . A 141 ILE HA . 25350 1 1599 . 1 1 141 141 ILE HB H 1 2.174 0.020 . 1 . . . A 141 ILE HB . 25350 1 1600 . 1 1 141 141 ILE HG12 H 1 1.703 0.020 . 1 . . . A 141 ILE HG12 . 25350 1 1601 . 1 1 141 141 ILE HG13 H 1 1.009 0.020 . 1 . . . A 141 ILE HG13 . 25350 1 1602 . 1 1 141 141 ILE HG21 H 1 0.783 0.020 . 1 . . . A 141 ILE HG21 . 25350 1 1603 . 1 1 141 141 ILE HG22 H 1 0.783 0.020 . 1 . . . A 141 ILE HG22 . 25350 1 1604 . 1 1 141 141 ILE HG23 H 1 0.783 0.020 . 1 . . . A 141 ILE HG23 . 25350 1 1605 . 1 1 141 141 ILE HD11 H 1 0.773 0.020 . 1 . . . A 141 ILE HD11 . 25350 1 1606 . 1 1 141 141 ILE HD12 H 1 0.773 0.020 . 1 . . . A 141 ILE HD12 . 25350 1 1607 . 1 1 141 141 ILE HD13 H 1 0.773 0.020 . 1 . . . A 141 ILE HD13 . 25350 1 1608 . 1 1 141 141 ILE C C 13 177.242 0.300 . 1 . . . A 141 ILE C . 25350 1 1609 . 1 1 141 141 ILE CA C 13 65.195 0.300 . 1 . . . A 141 ILE CA . 25350 1 1610 . 1 1 141 141 ILE CB C 13 36.316 0.300 . 1 . . . A 141 ILE CB . 25350 1 1611 . 1 1 141 141 ILE CG1 C 13 30.598 0.300 . 1 . . . A 141 ILE CG1 . 25350 1 1612 . 1 1 141 141 ILE CG2 C 13 17.155 0.300 . 1 . . . A 141 ILE CG2 . 25350 1 1613 . 1 1 141 141 ILE CD1 C 13 13.357 0.300 . 1 . . . A 141 ILE CD1 . 25350 1 1614 . 1 1 141 141 ILE N N 15 123.371 0.300 . 1 . . . A 141 ILE N . 25350 1 1615 . 1 1 142 142 ASN H H 1 8.288 0.020 . 1 . . . A 142 ASN H . 25350 1 1616 . 1 1 142 142 ASN HA H 1 4.445 0.020 . 1 . . . A 142 ASN HA . 25350 1 1617 . 1 1 142 142 ASN HB2 H 1 2.977 0.020 . 1 . . . A 142 ASN HB2 . 25350 1 1618 . 1 1 142 142 ASN HB3 H 1 2.776 0.020 . 1 . . . A 142 ASN HB3 . 25350 1 1619 . 1 1 142 142 ASN HD21 H 1 6.750 0.020 . 1 . . . A 142 ASN HD21 . 25350 1 1620 . 1 1 142 142 ASN HD22 H 1 7.492 0.020 . 1 . . . A 142 ASN HD22 . 25350 1 1621 . 1 1 142 142 ASN C C 13 178.762 0.300 . 1 . . . A 142 ASN C . 25350 1 1622 . 1 1 142 142 ASN CA C 13 56.454 0.300 . 1 . . . A 142 ASN CA . 25350 1 1623 . 1 1 142 142 ASN CB C 13 37.264 0.300 . 1 . . . A 142 ASN CB . 25350 1 1624 . 1 1 142 142 ASN N N 15 119.151 0.300 . 1 . . . A 142 ASN N . 25350 1 1625 . 1 1 142 142 ASN ND2 N 15 110.781 0.300 . 1 . . . A 142 ASN ND2 . 25350 1 1626 . 1 1 143 143 GLU H H 1 7.800 0.020 . 1 . . . A 143 GLU H . 25350 1 1627 . 1 1 143 143 GLU HA H 1 4.145 0.020 . 1 . . . A 143 GLU HA . 25350 1 1628 . 1 1 143 143 GLU HB2 H 1 2.183 0.020 . 1 . . . A 143 GLU HB2 . 25350 1 1629 . 1 1 143 143 GLU HB3 H 1 2.183 0.020 . 1 . . . A 143 GLU HB3 . 25350 1 1630 . 1 1 143 143 GLU HG2 H 1 2.537 0.020 . 1 . . . A 143 GLU HG2 . 25350 1 1631 . 1 1 143 143 GLU C C 13 179.037 0.300 . 1 . . . A 143 GLU C . 25350 1 1632 . 1 1 143 143 GLU CA C 13 59.643 0.300 . 1 . . . A 143 GLU CA . 25350 1 1633 . 1 1 143 143 GLU CB C 13 29.635 0.300 . 1 . . . A 143 GLU CB . 25350 1 1634 . 1 1 143 143 GLU CG C 13 36.844 0.300 . 1 . . . A 143 GLU CG . 25350 1 1635 . 1 1 143 143 GLU N N 15 119.853 0.300 . 1 . . . A 143 GLU N . 25350 1 1636 . 1 1 144 144 VAL H H 1 7.919 0.020 . 1 . . . A 144 VAL H . 25350 1 1637 . 1 1 144 144 VAL HA H 1 3.491 0.020 . 1 . . . A 144 VAL HA . 25350 1 1638 . 1 1 144 144 VAL HB H 1 2.199 0.020 . 1 . . . A 144 VAL HB . 25350 1 1639 . 1 1 144 144 VAL HG11 H 1 0.850 0.020 . 1 . . . A 144 VAL HG11 . 25350 1 1640 . 1 1 144 144 VAL HG12 H 1 0.850 0.020 . 1 . . . A 144 VAL HG12 . 25350 1 1641 . 1 1 144 144 VAL HG13 H 1 0.850 0.020 . 1 . . . A 144 VAL HG13 . 25350 1 1642 . 1 1 144 144 VAL HG21 H 1 0.818 0.020 . 1 . . . A 144 VAL HG21 . 25350 1 1643 . 1 1 144 144 VAL HG22 H 1 0.818 0.020 . 1 . . . A 144 VAL HG22 . 25350 1 1644 . 1 1 144 144 VAL HG23 H 1 0.818 0.020 . 1 . . . A 144 VAL HG23 . 25350 1 1645 . 1 1 144 144 VAL C C 13 177.908 0.300 . 1 . . . A 144 VAL C . 25350 1 1646 . 1 1 144 144 VAL CA C 13 66.941 0.300 . 1 . . . A 144 VAL CA . 25350 1 1647 . 1 1 144 144 VAL CB C 13 31.571 0.300 . 1 . . . A 144 VAL CB . 25350 1 1648 . 1 1 144 144 VAL CG1 C 13 24.626 0.300 . 1 . . . A 144 VAL CG1 . 25350 1 1649 . 1 1 144 144 VAL CG2 C 13 20.971 0.300 . 1 . . . A 144 VAL CG2 . 25350 1 1650 . 1 1 144 144 VAL N N 15 119.901 0.300 . 1 . . . A 144 VAL N . 25350 1 1651 . 1 1 145 145 LEU H H 1 8.982 0.020 . 1 . . . A 145 LEU H . 25350 1 1652 . 1 1 145 145 LEU HA H 1 3.916 0.020 . 1 . . . A 145 LEU HA . 25350 1 1653 . 1 1 145 145 LEU HB2 H 1 1.967 0.020 . 1 . . . A 145 LEU HB2 . 25350 1 1654 . 1 1 145 145 LEU HB3 H 1 1.481 0.020 . 1 . . . A 145 LEU HB3 . 25350 1 1655 . 1 1 145 145 LEU HG H 1 1.193 0.020 . 1 . . . A 145 LEU HG . 25350 1 1656 . 1 1 145 145 LEU HD11 H 1 0.841 0.020 . 1 . . . A 145 LEU HD11 . 25350 1 1657 . 1 1 145 145 LEU HD12 H 1 0.841 0.020 . 1 . . . A 145 LEU HD12 . 25350 1 1658 . 1 1 145 145 LEU HD13 H 1 0.841 0.020 . 1 . . . A 145 LEU HD13 . 25350 1 1659 . 1 1 145 145 LEU C C 13 180.097 0.300 . 1 . . . A 145 LEU C . 25350 1 1660 . 1 1 145 145 LEU CA C 13 58.156 0.300 . 1 . . . A 145 LEU CA . 25350 1 1661 . 1 1 145 145 LEU CB C 13 40.967 0.300 . 1 . . . A 145 LEU CB . 25350 1 1662 . 1 1 145 145 LEU CG C 13 27.129 0.300 . 1 . . . A 145 LEU CG . 25350 1 1663 . 1 1 145 145 LEU CD1 C 13 25.727 0.300 . 1 . . . A 145 LEU CD1 . 25350 1 1664 . 1 1 145 145 LEU CD2 C 13 23.036 0.300 . 1 . . . A 145 LEU CD2 . 25350 1 1665 . 1 1 145 145 LEU N N 15 118.426 0.300 . 1 . . . A 145 LEU N . 25350 1 1666 . 1 1 146 146 ALA H H 1 7.513 0.020 . 1 . . . A 146 ALA H . 25350 1 1667 . 1 1 146 146 ALA HA H 1 4.194 0.020 . 1 . . . A 146 ALA HA . 25350 1 1668 . 1 1 146 146 ALA HB1 H 1 1.528 0.020 . 1 . . . A 146 ALA HB1 . 25350 1 1669 . 1 1 146 146 ALA HB2 H 1 1.528 0.020 . 1 . . . A 146 ALA HB2 . 25350 1 1670 . 1 1 146 146 ALA HB3 H 1 1.528 0.020 . 1 . . . A 146 ALA HB3 . 25350 1 1671 . 1 1 146 146 ALA C C 13 179.476 0.300 . 1 . . . A 146 ALA C . 25350 1 1672 . 1 1 146 146 ALA CA C 13 54.735 0.300 . 1 . . . A 146 ALA CA . 25350 1 1673 . 1 1 146 146 ALA CB C 13 17.929 0.300 . 1 . . . A 146 ALA CB . 25350 1 1674 . 1 1 146 146 ALA N N 15 119.677 0.300 . 1 . . . A 146 ALA N . 25350 1 1675 . 1 1 147 147 LYS H H 1 7.600 0.020 . 1 . . . A 147 LYS H . 25350 1 1676 . 1 1 147 147 LYS HA H 1 4.381 0.020 . 1 . . . A 147 LYS HA . 25350 1 1677 . 1 1 147 147 LYS HB2 H 1 1.917 0.020 . 1 . . . A 147 LYS HB2 . 25350 1 1678 . 1 1 147 147 LYS HB3 H 1 2.031 0.020 . 1 . . . A 147 LYS HB3 . 25350 1 1679 . 1 1 147 147 LYS HG2 H 1 1.444 0.020 . 1 . . . A 147 LYS HG2 . 25350 1 1680 . 1 1 147 147 LYS HG3 H 1 1.444 0.020 . 1 . . . A 147 LYS HG3 . 25350 1 1681 . 1 1 147 147 LYS HD2 H 1 1.681 0.020 . 1 . . . A 147 LYS HD2 . 25350 1 1682 . 1 1 147 147 LYS HD3 H 1 1.611 0.020 . 1 . . . A 147 LYS HD3 . 25350 1 1683 . 1 1 147 147 LYS HE2 H 1 2.968 0.020 . 1 . . . A 147 LYS HE2 . 25350 1 1684 . 1 1 147 147 LYS C C 13 177.596 0.300 . 1 . . . A 147 LYS C . 25350 1 1685 . 1 1 147 147 LYS CA C 13 55.357 0.300 . 1 . . . A 147 LYS CA . 25350 1 1686 . 1 1 147 147 LYS CB C 13 32.716 0.300 . 1 . . . A 147 LYS CB . 25350 1 1687 . 1 1 147 147 LYS CG C 13 24.844 0.300 . 1 . . . A 147 LYS CG . 25350 1 1688 . 1 1 147 147 LYS CD C 13 28.016 0.300 . 1 . . . A 147 LYS CD . 25350 1 1689 . 1 1 147 147 LYS CE C 13 42.269 0.300 . 1 . . . A 147 LYS CE . 25350 1 1690 . 1 1 147 147 LYS N N 15 116.071 0.300 . 1 . . . A 147 LYS N . 25350 1 1691 . 1 1 148 148 LEU H H 1 7.664 0.020 . 1 . . . A 148 LEU H . 25350 1 1692 . 1 1 148 148 LEU HA H 1 4.197 0.020 . 1 . . . A 148 LEU HA . 25350 1 1693 . 1 1 148 148 LEU HB2 H 1 1.601 0.020 . 1 . . . A 148 LEU HB2 . 25350 1 1694 . 1 1 148 148 LEU HG H 1 1.829 0.020 . 1 . . . A 148 LEU HG . 25350 1 1695 . 1 1 148 148 LEU HD11 H 1 0.790 0.020 . 1 . . . A 148 LEU HD11 . 25350 1 1696 . 1 1 148 148 LEU HD12 H 1 0.790 0.020 . 1 . . . A 148 LEU HD12 . 25350 1 1697 . 1 1 148 148 LEU HD13 H 1 0.790 0.020 . 1 . . . A 148 LEU HD13 . 25350 1 1698 . 1 1 148 148 LEU C C 13 177.001 0.300 . 1 . . . A 148 LEU C . 25350 1 1699 . 1 1 148 148 LEU CA C 13 55.952 0.300 . 1 . . . A 148 LEU CA . 25350 1 1700 . 1 1 148 148 LEU CB C 13 42.332 0.300 . 1 . . . A 148 LEU CB . 25350 1 1701 . 1 1 148 148 LEU CG C 13 26.445 0.300 . 1 . . . A 148 LEU CG . 25350 1 1702 . 1 1 148 148 LEU CD1 C 13 23.126 0.300 . 1 . . . A 148 LEU CD1 . 25350 1 1703 . 1 1 148 148 LEU CD2 C 13 22.823 0.300 . 1 . . . A 148 LEU CD2 . 25350 1 1704 . 1 1 148 148 LEU N N 15 119.200 0.300 . 1 . . . A 148 LEU N . 25350 1 1705 . 1 1 149 149 GLY H H 1 7.560 0.020 . 1 . . . A 149 GLY H . 25350 1 1706 . 1 1 149 149 GLY HA2 H 1 3.775 0.020 . 1 . . . A 149 GLY HA2 . 25350 1 1707 . 1 1 149 149 GLY HA3 H 1 3.633 0.020 . 1 . . . A 149 GLY HA3 . 25350 1 1708 . 1 1 149 149 GLY C C 13 179.048 0.300 . 1 . . . A 149 GLY C . 25350 1 1709 . 1 1 149 149 GLY CA C 13 46.165 0.300 . 1 . . . A 149 GLY CA . 25350 1 1710 . 1 1 149 149 GLY N N 15 112.662 0.300 . 1 . . . A 149 GLY N . 25350 1 stop_ save_