data_27593 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27593 _Entry.Title ; 1H, 13C, and 15N resonance assignments of N-acetylmuramyl-L-alanine amidase (AmiC) N-terminal domain (NTD) from Neisseria gonorrhoeae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-29 _Entry.Accession_date 2018-08-29 _Entry.Last_release_date 2018-08-29 _Entry.Original_release_date 2018-08-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Brandon Young . F. . . 27593 2 Braden Roth . M. . . 27593 3 Christopher Davies . . . . 27593 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Medical University of South Carolina' . 27593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 27593 '15N chemical shifts' 104 27593 '1H chemical shifts' 650 27593 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 . . 2019-04-11 2018-08-29 update BMRB 'update entry citation' 27593 1 . . 2018-11-28 2018-08-29 original author 'original release' 27593 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27593 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30276628 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of N-acetylmuramyl-L-alanine amidase (AmiC) N-terminal domain (NTD) from Neisseria gonorrhoeae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 63 _Citation.Page_last 66 _Citation.Year 2019 _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 Brandon Young . F. . . 27593 1 2 Braden Roth . M. . . 27593 1 3 Christopher Davies . . . . 27593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27593 _Assembly.ID 1 _Assembly.Name 'AmiC N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'AmiC N-terminal domain' 1 $AmiC-NTD A . yes native no no . . . 27593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AmiC-NTD _Entity.Sf_category entity _Entity.Sf_framecode AmiC-NTD _Entity.Entry_ID 27593 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AmiC-NTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SKTVRAPQFTAARIWPSHTY TRLTLESTAALKYQHFALDN PGRLVVDIQNANINTVLHGL SQKVMADDPFIRSIRAGQNT PTTVRLVIDLKQPTHAQVFA LPPVGGFKDRLVVDLYPHGM DADDPMMALLNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; S,-1 K,29 T,30 V,31 ...... L,157 N,158 G,159 ; _Entity.Polymer_author_seq_details ; AmiC-NTD begins at lysine 29 and extends through glycine 159. The first serine is a byproduct of TEV cleavage site and is denoted as S, -1. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 SER . 27593 1 2 29 LYS . 27593 1 3 30 THR . 27593 1 4 31 VAL . 27593 1 5 32 ARG . 27593 1 6 33 ALA . 27593 1 7 34 PRO . 27593 1 8 35 GLN . 27593 1 9 36 PHE . 27593 1 10 37 THR . 27593 1 11 38 ALA . 27593 1 12 39 ALA . 27593 1 13 40 ARG . 27593 1 14 41 ILE . 27593 1 15 42 TRP . 27593 1 16 43 PRO . 27593 1 17 44 SER . 27593 1 18 45 HIS . 27593 1 19 46 THR . 27593 1 20 47 TYR . 27593 1 21 48 THR . 27593 1 22 49 ARG . 27593 1 23 50 LEU . 27593 1 24 51 THR . 27593 1 25 52 LEU . 27593 1 26 53 GLU . 27593 1 27 54 SER . 27593 1 28 55 THR . 27593 1 29 56 ALA . 27593 1 30 57 ALA . 27593 1 31 58 LEU . 27593 1 32 59 LYS . 27593 1 33 60 TYR . 27593 1 34 61 GLN . 27593 1 35 62 HIS . 27593 1 36 63 PHE . 27593 1 37 64 ALA . 27593 1 38 65 LEU . 27593 1 39 66 ASP . 27593 1 40 67 ASN . 27593 1 41 68 PRO . 27593 1 42 69 GLY . 27593 1 43 70 ARG . 27593 1 44 71 LEU . 27593 1 45 72 VAL . 27593 1 46 73 VAL . 27593 1 47 74 ASP . 27593 1 48 75 ILE . 27593 1 49 76 GLN . 27593 1 50 77 ASN . 27593 1 51 78 ALA . 27593 1 52 79 ASN . 27593 1 53 80 ILE . 27593 1 54 81 ASN . 27593 1 55 82 THR . 27593 1 56 83 VAL . 27593 1 57 84 LEU . 27593 1 58 85 HIS . 27593 1 59 86 GLY . 27593 1 60 87 LEU . 27593 1 61 88 SER . 27593 1 62 89 GLN . 27593 1 63 90 LYS . 27593 1 64 91 VAL . 27593 1 65 92 MET . 27593 1 66 93 ALA . 27593 1 67 94 ASP . 27593 1 68 95 ASP . 27593 1 69 96 PRO . 27593 1 70 97 PHE . 27593 1 71 98 ILE . 27593 1 72 99 ARG . 27593 1 73 100 SER . 27593 1 74 101 ILE . 27593 1 75 102 ARG . 27593 1 76 103 ALA . 27593 1 77 104 GLY . 27593 1 78 105 GLN . 27593 1 79 106 ASN . 27593 1 80 107 THR . 27593 1 81 108 PRO . 27593 1 82 109 THR . 27593 1 83 110 THR . 27593 1 84 111 VAL . 27593 1 85 112 ARG . 27593 1 86 113 LEU . 27593 1 87 114 VAL . 27593 1 88 115 ILE . 27593 1 89 116 ASP . 27593 1 90 117 LEU . 27593 1 91 118 LYS . 27593 1 92 119 GLN . 27593 1 93 120 PRO . 27593 1 94 121 THR . 27593 1 95 122 HIS . 27593 1 96 123 ALA . 27593 1 97 124 GLN . 27593 1 98 125 VAL . 27593 1 99 126 PHE . 27593 1 100 127 ALA . 27593 1 101 128 LEU . 27593 1 102 129 PRO . 27593 1 103 130 PRO . 27593 1 104 131 VAL . 27593 1 105 132 GLY . 27593 1 106 133 GLY . 27593 1 107 134 PHE . 27593 1 108 135 LYS . 27593 1 109 136 ASP . 27593 1 110 137 ARG . 27593 1 111 138 LEU . 27593 1 112 139 VAL . 27593 1 113 140 VAL . 27593 1 114 141 ASP . 27593 1 115 142 LEU . 27593 1 116 143 TYR . 27593 1 117 144 PRO . 27593 1 118 145 HIS . 27593 1 119 146 GLY . 27593 1 120 147 MET . 27593 1 121 148 ASP . 27593 1 122 149 ALA . 27593 1 123 150 ASP . 27593 1 124 151 ASP . 27593 1 125 152 PRO . 27593 1 126 153 MET . 27593 1 127 154 MET . 27593 1 128 155 ALA . 27593 1 129 156 LEU . 27593 1 130 157 LEU . 27593 1 131 158 ASN . 27593 1 132 159 GLY . 27593 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 . SER 1 1 27593 1 . LYS 2 2 27593 1 . THR 3 3 27593 1 . VAL 4 4 27593 1 . ARG 5 5 27593 1 . ALA 6 6 27593 1 . PRO 7 7 27593 1 . GLN 8 8 27593 1 . PHE 9 9 27593 1 . THR 10 10 27593 1 . ALA 11 11 27593 1 . ALA 12 12 27593 1 . ARG 13 13 27593 1 . ILE 14 14 27593 1 . TRP 15 15 27593 1 . PRO 16 16 27593 1 . SER 17 17 27593 1 . HIS 18 18 27593 1 . THR 19 19 27593 1 . TYR 20 20 27593 1 . THR 21 21 27593 1 . ARG 22 22 27593 1 . LEU 23 23 27593 1 . THR 24 24 27593 1 . LEU 25 25 27593 1 . GLU 26 26 27593 1 . SER 27 27 27593 1 . THR 28 28 27593 1 . ALA 29 29 27593 1 . ALA 30 30 27593 1 . LEU 31 31 27593 1 . LYS 32 32 27593 1 . TYR 33 33 27593 1 . GLN 34 34 27593 1 . HIS 35 35 27593 1 . PHE 36 36 27593 1 . ALA 37 37 27593 1 . LEU 38 38 27593 1 . ASP 39 39 27593 1 . ASN 40 40 27593 1 . PRO 41 41 27593 1 . GLY 42 42 27593 1 . ARG 43 43 27593 1 . LEU 44 44 27593 1 . VAL 45 45 27593 1 . VAL 46 46 27593 1 . ASP 47 47 27593 1 . ILE 48 48 27593 1 . GLN 49 49 27593 1 . ASN 50 50 27593 1 . ALA 51 51 27593 1 . ASN 52 52 27593 1 . ILE 53 53 27593 1 . ASN 54 54 27593 1 . THR 55 55 27593 1 . VAL 56 56 27593 1 . LEU 57 57 27593 1 . HIS 58 58 27593 1 . GLY 59 59 27593 1 . LEU 60 60 27593 1 . SER 61 61 27593 1 . GLN 62 62 27593 1 . LYS 63 63 27593 1 . VAL 64 64 27593 1 . MET 65 65 27593 1 . ALA 66 66 27593 1 . ASP 67 67 27593 1 . ASP 68 68 27593 1 . PRO 69 69 27593 1 . PHE 70 70 27593 1 . ILE 71 71 27593 1 . ARG 72 72 27593 1 . SER 73 73 27593 1 . ILE 74 74 27593 1 . ARG 75 75 27593 1 . ALA 76 76 27593 1 . GLY 77 77 27593 1 . GLN 78 78 27593 1 . ASN 79 79 27593 1 . THR 80 80 27593 1 . PRO 81 81 27593 1 . THR 82 82 27593 1 . THR 83 83 27593 1 . VAL 84 84 27593 1 . ARG 85 85 27593 1 . LEU 86 86 27593 1 . VAL 87 87 27593 1 . ILE 88 88 27593 1 . ASP 89 89 27593 1 . LEU 90 90 27593 1 . LYS 91 91 27593 1 . GLN 92 92 27593 1 . PRO 93 93 27593 1 . THR 94 94 27593 1 . HIS 95 95 27593 1 . ALA 96 96 27593 1 . GLN 97 97 27593 1 . VAL 98 98 27593 1 . PHE 99 99 27593 1 . ALA 100 100 27593 1 . LEU 101 101 27593 1 . PRO 102 102 27593 1 . PRO 103 103 27593 1 . VAL 104 104 27593 1 . GLY 105 105 27593 1 . GLY 106 106 27593 1 . PHE 107 107 27593 1 . LYS 108 108 27593 1 . ASP 109 109 27593 1 . ARG 110 110 27593 1 . LEU 111 111 27593 1 . VAL 112 112 27593 1 . VAL 113 113 27593 1 . ASP 114 114 27593 1 . LEU 115 115 27593 1 . TYR 116 116 27593 1 . PRO 117 117 27593 1 . HIS 118 118 27593 1 . GLY 119 119 27593 1 . MET 120 120 27593 1 . ASP 121 121 27593 1 . ALA 122 122 27593 1 . ASP 123 123 27593 1 . ASP 124 124 27593 1 . PRO 125 125 27593 1 . MET 126 126 27593 1 . MET 127 127 27593 1 . ALA 128 128 27593 1 . LEU 129 129 27593 1 . LEU 130 130 27593 1 . ASN 131 131 27593 1 . GLY 132 132 27593 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 27593 _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 $AmiC-NTD . 485 organism . 'Neisseria gonorrhoeae' 'Neisseria gonorrhoeae' . . Bacteria . Neisseria gonorrhoeae . . . . . . . . . . . amiC . 27593 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 27593 _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 $AmiC-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pHGK-IF . . 'His6Gb1 fusion protein kanamycin resistant: ligation free cloning' 27593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_AmiC-NTD_triple_label _Sample.Sf_category sample _Sample.Sf_framecode AmiC-NTD_triple_label _Sample.Entry_ID 27593 _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 AmiC-NTD '[U-100% 13C; U-100% 15N]' . . 1 $AmiC-NTD . . 0.5 . . mM . . . . 27593 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27593 1 3 'sodium azide' 'natural abundance' . . . . . . 150 . . uM . . . . 27593 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27593 1 stop_ save_ save_AmiC-NTD_15N _Sample.Sf_category sample _Sample.Sf_framecode AmiC-NTD_15N _Sample.Entry_ID 27593 _Sample.ID 2 _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 AmiC-NTD '[U-100% 15N]' . . 1 $AmiC-NTD . . 0.5 . . mM . . . . 27593 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27593 2 3 'sodium azide' 'natural abundance' . . . . . . 150 . . uM . . . . 27593 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27593 2 stop_ save_ ####################### # Sample conditions # ####################### save_AmiC-NTD_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode AmiC-NTD_sample_conditions _Sample_condition_list.Entry_ID 27593 _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' 120 . mM 27593 1 pH 7.5 . pH 27593 1 pressure 1 . atm 27593 1 temperature 303 . K 27593 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27593 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27593 1 'data analysis' 27593 1 'peak picking' 27593 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27593 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 9.5 _Software.DOI . _Software.Details 'NMRPipe: A multidimensional spectral processing system based on UNIX pipes' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Laboratory o f Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892, U.S.A ; . 27593 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27593 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_II_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_II_600_MHz _NMR_spectrometer.Entry_ID 27593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_Avance_III_850_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_III_850_MHz _NMR_spectrometer.Entry_ID 27593 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27593 _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 Bruker_Avance_II_600_MHz Bruker Avance . 600 . . . 27593 1 2 Bruker_Avance_III_850_MHz Bruker Avance . 850 . . . 27593 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 27593 _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 '3D HNCACB' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 2 $Bruker_Avance_III_850_MHz . . . . . . . . . . . . . . . . 27593 1 2 '3D HNCO' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 2 $Bruker_Avance_III_850_MHz . . . . . . . . . . . . . . . . 27593 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 2 $Bruker_Avance_III_850_MHz . . . . . . . . . . . . . . . . 27593 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 2 $Bruker_Avance_III_850_MHz . . . . . . . . . . . . . . . . 27593 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $AmiC-NTD_15N isotropic . . 1 $AmiC-NTD_sample_conditions . . . 2 $Bruker_Avance_III_850_MHz . . . . . . . . . . . . . . . . 27593 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 1 $Bruker_Avance_II_600_MHz . . . . . . . . . . . . . . . . 27593 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 2 $Bruker_Avance_III_850_MHz . . . . . . . . . . . . . . . . 27593 1 8 '3D HcCH-TOCSY' no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 1 $Bruker_Avance_II_600_MHz . . . . . . . . . . . . . . . . 27593 1 9 hCCH-TOCSY(hC_CH.relayed) no . . . . . . . . . . 1 $AmiC-NTD_triple_label isotropic . . 1 $AmiC-NTD_sample_conditions . . . 1 $Bruker_Avance_II_600_MHz . . . . . . . . . . . . . . . . 27593 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_AmiC-NTD_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode AmiC-NTD_chemical_shift_reference _Chem_shift_reference.Entry_ID 27593 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27593 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.00 . . . . . 27593 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27593 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_AmiCNTD_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode AmiCNTD_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27593 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $AmiC-NTD_sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $AmiC-NTD_chemical_shift_reference _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 '3D HNCACB' . . . 27593 1 2 '3D HNCO' . . . 27593 1 3 '3D CBCA(CO)NH' . . . 27593 1 4 '2D 1H-13C HSQC' . . . 27593 1 5 '2D 1H-15N HSQC' . . . 27593 1 6 '3D 1H-15N TOCSY' . . . 27593 1 7 '3D HBHA(CO)NH' . . . 27593 1 8 '3D HcCH-TOCSY' . . . 27593 1 9 hCCH-TOCSY(hC_CH.relayed) . . . 27593 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 THR C C 13 174.334 0.000 . 1 . . . . . 30 THR C . 27593 1 2 . 1 1 3 3 THR CA C 13 62.113 0.000 . 1 . . . . . 30 THR CA . 27593 1 3 . 1 1 3 3 THR CB C 13 69.822 0.000 . 1 . . . . . 30 THR CB . 27593 1 4 . 1 1 4 4 VAL H H 1 8.233 0.006 . 1 . . . . . 31 VAL H . 27593 1 5 . 1 1 4 4 VAL C C 13 175.749 0.000 . 1 . . . . . 31 VAL C . 27593 1 6 . 1 1 4 4 VAL CA C 13 62.303 0.000 . 1 . . . . . 31 VAL CA . 27593 1 7 . 1 1 4 4 VAL CB C 13 32.850 0.000 . 1 . . . . . 31 VAL CB . 27593 1 8 . 1 1 4 4 VAL N N 15 123.969 0.234 . 1 . . . . . 31 VAL N . 27593 1 9 . 1 1 7 7 PRO HA H 1 4.105 0.000 . 1 . . . . . 34 PRO HA . 27593 1 10 . 1 1 7 7 PRO HB2 H 1 1.906 0.018 . 1 . . . . . 34 PRO HB2 . 27593 1 11 . 1 1 7 7 PRO HG2 H 1 1.475 0.000 . 1 . . . . . 34 PRO HG2 . 27593 1 12 . 1 1 7 7 PRO C C 13 175.498 0.000 . 1 . . . . . 34 PRO C . 27593 1 13 . 1 1 7 7 PRO CA C 13 62.777 0.000 . 1 . . . . . 34 PRO CA . 27593 1 14 . 1 1 7 7 PRO CB C 13 32.837 0.020 . 1 . . . . . 34 PRO CB . 27593 1 15 . 1 1 8 8 GLN H H 1 8.083 0.003 . 1 . . . . . 35 GLN H . 27593 1 16 . 1 1 8 8 GLN HA H 1 4.672 0.003 . 1 . . . . . 35 GLN HA . 27593 1 17 . 1 1 8 8 GLN HB2 H 1 1.981 0.003 . 1 . . . . . 35 GLN HB2 . 27593 1 18 . 1 1 8 8 GLN HG2 H 1 2.165 0.000 . 1 . . . . . 35 GLN HG2 . 27593 1 19 . 1 1 8 8 GLN C C 13 176.262 0.009 . 1 . . . . . 35 GLN C . 27593 1 20 . 1 1 8 8 GLN CA C 13 53.491 0.018 . 1 . . . . . 35 GLN CA . 27593 1 21 . 1 1 8 8 GLN CB C 13 31.742 0.034 . 1 . . . . . 35 GLN CB . 27593 1 22 . 1 1 8 8 GLN N N 15 117.904 0.086 . 1 . . . . . 35 GLN N . 27593 1 23 . 1 1 9 9 PHE H H 1 8.015 0.003 . 1 . . . . . 36 PHE H . 27593 1 24 . 1 1 9 9 PHE HA H 1 4.909 0.013 . 1 . . . . . 36 PHE HA . 27593 1 25 . 1 1 9 9 PHE HB2 H 1 3.237 0.010 . 1 . . . . . 36 PHE HB2 . 27593 1 26 . 1 1 9 9 PHE HB3 H 1 2.917 0.006 . 1 . . . . . 36 PHE HB3 . 27593 1 27 . 1 1 9 9 PHE C C 13 177.156 0.003 . 1 . . . . . 36 PHE C . 27593 1 28 . 1 1 9 9 PHE CA C 13 59.057 0.080 . 1 . . . . . 36 PHE CA . 27593 1 29 . 1 1 9 9 PHE CB C 13 38.959 0.046 . 1 . . . . . 36 PHE CB . 27593 1 30 . 1 1 9 9 PHE N N 15 120.176 0.100 . 1 . . . . . 36 PHE N . 27593 1 31 . 1 1 10 10 THR H H 1 9.373 0.008 . 1 . . . . . 37 THR H . 27593 1 32 . 1 1 10 10 THR HA H 1 4.453 0.022 . 1 . . . . . 37 THR HA . 27593 1 33 . 1 1 10 10 THR HB H 1 4.190 0.010 . 1 . . . . . 37 THR HB . 27593 1 34 . 1 1 10 10 THR HG21 H 1 1.038 0.000 . 1 . . . . . 37 THR HG21 . 27593 1 35 . 1 1 10 10 THR HG22 H 1 1.038 0.000 . 1 . . . . . 37 THR HG22 . 27593 1 36 . 1 1 10 10 THR HG23 H 1 1.038 0.000 . 1 . . . . . 37 THR HG23 . 27593 1 37 . 1 1 10 10 THR C C 13 175.263 0.018 . 1 . . . . . 37 THR C . 27593 1 38 . 1 1 10 10 THR CA C 13 62.809 0.039 . 1 . . . . . 37 THR CA . 27593 1 39 . 1 1 10 10 THR CB C 13 68.576 0.053 . 1 . . . . . 37 THR CB . 27593 1 40 . 1 1 10 10 THR CG2 C 13 23.340 0.051 . 1 . . . . . 37 THR CG2 . 27593 1 41 . 1 1 10 10 THR N N 15 115.364 0.082 . 1 . . . . . 37 THR N . 27593 1 42 . 1 1 11 11 ALA H H 1 7.651 0.004 . 1 . . . . . 38 ALA H . 27593 1 43 . 1 1 11 11 ALA HA H 1 4.533 0.005 . 1 . . . . . 38 ALA HA . 27593 1 44 . 1 1 11 11 ALA HB1 H 1 1.418 0.006 . 1 . . . . . 38 ALA HB1 . 27593 1 45 . 1 1 11 11 ALA HB2 H 1 1.418 0.006 . 1 . . . . . 38 ALA HB2 . 27593 1 46 . 1 1 11 11 ALA HB3 H 1 1.418 0.006 . 1 . . . . . 38 ALA HB3 . 27593 1 47 . 1 1 11 11 ALA C C 13 174.989 0.018 . 1 . . . . . 38 ALA C . 27593 1 48 . 1 1 11 11 ALA CA C 13 52.831 0.050 . 1 . . . . . 38 ALA CA . 27593 1 49 . 1 1 11 11 ALA CB C 13 22.128 0.031 . 1 . . . . . 38 ALA CB . 27593 1 50 . 1 1 11 11 ALA N N 15 122.507 0.076 . 1 . . . . . 38 ALA N . 27593 1 51 . 1 1 12 12 ALA H H 1 8.625 0.005 . 1 . . . . . 39 ALA H . 27593 1 52 . 1 1 12 12 ALA HA H 1 5.306 0.005 . 1 . . . . . 39 ALA HA . 27593 1 53 . 1 1 12 12 ALA HB1 H 1 1.131 0.006 . 1 . . . . . 39 ALA HB1 . 27593 1 54 . 1 1 12 12 ALA HB2 H 1 1.131 0.006 . 1 . . . . . 39 ALA HB2 . 27593 1 55 . 1 1 12 12 ALA HB3 H 1 1.131 0.006 . 1 . . . . . 39 ALA HB3 . 27593 1 56 . 1 1 12 12 ALA C C 13 174.961 0.024 . 1 . . . . . 39 ALA C . 27593 1 57 . 1 1 12 12 ALA CA C 13 51.398 0.054 . 1 . . . . . 39 ALA CA . 27593 1 58 . 1 1 12 12 ALA CB C 13 22.517 0.037 . 1 . . . . . 39 ALA CB . 27593 1 59 . 1 1 12 12 ALA N N 15 123.169 0.049 . 1 . . . . . 39 ALA N . 27593 1 60 . 1 1 13 13 ARG H H 1 8.672 0.004 . 1 . . . . . 40 ARG H . 27593 1 61 . 1 1 13 13 ARG HA H 1 4.547 0.007 . 1 . . . . . 40 ARG HA . 27593 1 62 . 1 1 13 13 ARG HB2 H 1 1.488 0.003 . 1 . . . . . 40 ARG HB2 . 27593 1 63 . 1 1 13 13 ARG HB3 H 1 1.345 0.006 . 1 . . . . . 40 ARG HB3 . 27593 1 64 . 1 1 13 13 ARG HG2 H 1 1.270 0.003 . 1 . . . . . 40 ARG HG2 . 27593 1 65 . 1 1 13 13 ARG HG3 H 1 1.636 0.000 . 1 . . . . . 40 ARG HG3 . 27593 1 66 . 1 1 13 13 ARG HD2 H 1 3.069 0.027 . 1 . . . . . 40 ARG HD2 . 27593 1 67 . 1 1 13 13 ARG HD3 H 1 3.029 0.004 . 1 . . . . . 40 ARG HD3 . 27593 1 68 . 1 1 13 13 ARG C C 13 173.534 0.002 . 1 . . . . . 40 ARG C . 27593 1 69 . 1 1 13 13 ARG CA C 13 54.817 0.074 . 1 . . . . . 40 ARG CA . 27593 1 70 . 1 1 13 13 ARG CB C 13 34.600 0.028 . 1 . . . . . 40 ARG CB . 27593 1 71 . 1 1 13 13 ARG CG C 13 27.129 0.132 . 1 . . . . . 40 ARG CG . 27593 1 72 . 1 1 13 13 ARG CD C 13 43.479 0.041 . 1 . . . . . 40 ARG CD . 27593 1 73 . 1 1 13 13 ARG N N 15 120.922 0.064 . 1 . . . . . 40 ARG N . 27593 1 74 . 1 1 14 14 ILE H H 1 8.266 0.007 . 1 . . . . . 41 ILE H . 27593 1 75 . 1 1 14 14 ILE HA H 1 4.866 0.002 . 1 . . . . . 41 ILE HA . 27593 1 76 . 1 1 14 14 ILE HB H 1 1.581 0.004 . 1 . . . . . 41 ILE HB . 27593 1 77 . 1 1 14 14 ILE HG21 H 1 0.798 0.005 . 1 . . . . . 41 ILE HG21 . 27593 1 78 . 1 1 14 14 ILE HG22 H 1 0.798 0.005 . 1 . . . . . 41 ILE HG22 . 27593 1 79 . 1 1 14 14 ILE HG23 H 1 0.798 0.005 . 1 . . . . . 41 ILE HG23 . 27593 1 80 . 1 1 14 14 ILE HD11 H 1 0.700 0.002 . 1 . . . . . 41 ILE HD11 . 27593 1 81 . 1 1 14 14 ILE HD12 H 1 0.700 0.002 . 1 . . . . . 41 ILE HD12 . 27593 1 82 . 1 1 14 14 ILE HD13 H 1 0.700 0.002 . 1 . . . . . 41 ILE HD13 . 27593 1 83 . 1 1 14 14 ILE C C 13 175.297 0.031 . 1 . . . . . 41 ILE C . 27593 1 84 . 1 1 14 14 ILE CA C 13 60.694 0.120 . 1 . . . . . 41 ILE CA . 27593 1 85 . 1 1 14 14 ILE CB C 13 40.705 0.039 . 1 . . . . . 41 ILE CB . 27593 1 86 . 1 1 14 14 ILE CG2 C 13 18.986 0.013 . 1 . . . . . 41 ILE CG2 . 27593 1 87 . 1 1 14 14 ILE CD1 C 13 14.624 0.144 . 1 . . . . . 41 ILE CD1 . 27593 1 88 . 1 1 14 14 ILE N N 15 119.992 0.082 . 1 . . . . . 41 ILE N . 27593 1 89 . 1 1 15 15 TRP H H 1 9.833 0.003 . 1 . . . . . 42 TRP H . 27593 1 90 . 1 1 15 15 TRP HA H 1 5.300 0.005 . 1 . . . . . 42 TRP HA . 27593 1 91 . 1 1 15 15 TRP HB2 H 1 3.268 0.000 . 1 . . . . . 42 TRP HB2 . 27593 1 92 . 1 1 15 15 TRP HB3 H 1 3.177 0.000 . 1 . . . . . 42 TRP HB3 . 27593 1 93 . 1 1 15 15 TRP C C 13 173.707 0.000 . 1 . . . . . 42 TRP C . 27593 1 94 . 1 1 15 15 TRP CA C 13 54.086 0.033 . 1 . . . . . 42 TRP CA . 27593 1 95 . 1 1 15 15 TRP CB C 13 30.326 0.022 . 1 . . . . . 42 TRP CB . 27593 1 96 . 1 1 15 15 TRP N N 15 129.730 0.052 . 1 . . . . . 42 TRP N . 27593 1 97 . 1 1 16 16 PRO HA H 1 5.234 0.007 . 1 . . . . . 43 PRO HA . 27593 1 98 . 1 1 16 16 PRO HB2 H 1 2.359 0.000 . 1 . . . . . 43 PRO HB2 . 27593 1 99 . 1 1 16 16 PRO HB3 H 1 1.862 0.000 . 1 . . . . . 43 PRO HB3 . 27593 1 100 . 1 1 16 16 PRO HG2 H 1 2.117 0.000 . 1 . . . . . 43 PRO HG2 . 27593 1 101 . 1 1 16 16 PRO C C 13 176.601 0.000 . 1 . . . . . 43 PRO C . 27593 1 102 . 1 1 16 16 PRO CA C 13 62.323 0.024 . 1 . . . . . 43 PRO CA . 27593 1 103 . 1 1 16 16 PRO CB C 13 32.336 0.002 . 1 . . . . . 43 PRO CB . 27593 1 104 . 1 1 16 16 PRO CG C 13 26.878 0.000 . 1 . . . . . 43 PRO CG . 27593 1 105 . 1 1 17 17 SER H H 1 7.825 0.009 . 1 . . . . . 44 SER H . 27593 1 106 . 1 1 17 17 SER HA H 1 4.497 0.007 . 1 . . . . . 44 SER HA . 27593 1 107 . 1 1 17 17 SER HB2 H 1 3.672 0.001 . 1 . . . . . 44 SER HB2 . 27593 1 108 . 1 1 17 17 SER C C 13 172.932 0.000 . 1 . . . . . 44 SER C . 27593 1 109 . 1 1 17 17 SER CA C 13 57.856 0.024 . 1 . . . . . 44 SER CA . 27593 1 110 . 1 1 17 17 SER CB C 13 65.556 0.022 . 1 . . . . . 44 SER CB . 27593 1 111 . 1 1 17 17 SER N N 15 116.878 0.045 . 1 . . . . . 44 SER N . 27593 1 112 . 1 1 19 19 THR HA H 1 4.340 0.009 . 1 . . . . . 46 THR HA . 27593 1 113 . 1 1 19 19 THR HB H 1 4.373 0.002 . 1 . . . . . 46 THR HB . 27593 1 114 . 1 1 19 19 THR HG21 H 1 1.314 0.004 . 1 . . . . . 46 THR HG21 . 27593 1 115 . 1 1 19 19 THR HG22 H 1 1.314 0.004 . 1 . . . . . 46 THR HG22 . 27593 1 116 . 1 1 19 19 THR HG23 H 1 1.314 0.004 . 1 . . . . . 46 THR HG23 . 27593 1 117 . 1 1 19 19 THR C C 13 173.480 0.000 . 1 . . . . . 46 THR C . 27593 1 118 . 1 1 19 19 THR CA C 13 63.387 0.049 . 1 . . . . . 46 THR CA . 27593 1 119 . 1 1 19 19 THR CB C 13 69.486 0.041 . 1 . . . . . 46 THR CB . 27593 1 120 . 1 1 19 19 THR CG2 C 13 22.798 0.152 . 1 . . . . . 46 THR CG2 . 27593 1 121 . 1 1 20 20 TYR H H 1 6.747 0.008 . 1 . . . . . 47 TYR H . 27593 1 122 . 1 1 20 20 TYR HA H 1 4.631 0.009 . 1 . . . . . 47 TYR HA . 27593 1 123 . 1 1 20 20 TYR HB2 H 1 2.535 0.001 . 1 . . . . . 47 TYR HB2 . 27593 1 124 . 1 1 20 20 TYR HB3 H 1 1.677 0.000 . 1 . . . . . 47 TYR HB3 . 27593 1 125 . 1 1 20 20 TYR C C 13 174.202 0.015 . 1 . . . . . 47 TYR C . 27593 1 126 . 1 1 20 20 TYR CA C 13 57.233 0.024 . 1 . . . . . 47 TYR CA . 27593 1 127 . 1 1 20 20 TYR CB C 13 38.053 0.084 . 1 . . . . . 47 TYR CB . 27593 1 128 . 1 1 20 20 TYR N N 15 113.962 0.069 . 1 . . . . . 47 TYR N . 27593 1 129 . 1 1 21 21 THR H H 1 7.723 0.008 . 1 . . . . . 48 THR H . 27593 1 130 . 1 1 21 21 THR HA H 1 4.838 0.008 . 1 . . . . . 48 THR HA . 27593 1 131 . 1 1 21 21 THR HB H 1 3.863 0.008 . 1 . . . . . 48 THR HB . 27593 1 132 . 1 1 21 21 THR HG21 H 1 1.290 0.003 . 1 . . . . . 48 THR HG21 . 27593 1 133 . 1 1 21 21 THR HG22 H 1 1.290 0.003 . 1 . . . . . 48 THR HG22 . 27593 1 134 . 1 1 21 21 THR HG23 H 1 1.290 0.003 . 1 . . . . . 48 THR HG23 . 27593 1 135 . 1 1 21 21 THR C C 13 171.754 0.020 . 1 . . . . . 48 THR C . 27593 1 136 . 1 1 21 21 THR CA C 13 62.017 0.063 . 1 . . . . . 48 THR CA . 27593 1 137 . 1 1 21 21 THR CB C 13 71.527 0.064 . 1 . . . . . 48 THR CB . 27593 1 138 . 1 1 21 21 THR CG2 C 13 24.427 0.041 . 1 . . . . . 48 THR CG2 . 27593 1 139 . 1 1 21 21 THR N N 15 119.105 0.108 . 1 . . . . . 48 THR N . 27593 1 140 . 1 1 22 22 ARG H H 1 8.009 0.005 . 1 . . . . . 49 ARG H . 27593 1 141 . 1 1 22 22 ARG HA H 1 5.625 0.005 . 1 . . . . . 49 ARG HA . 27593 1 142 . 1 1 22 22 ARG C C 13 174.550 0.008 . 1 . . . . . 49 ARG C . 27593 1 143 . 1 1 22 22 ARG CA C 13 54.266 0.051 . 1 . . . . . 49 ARG CA . 27593 1 144 . 1 1 22 22 ARG CB C 13 34.591 0.051 . 1 . . . . . 49 ARG CB . 27593 1 145 . 1 1 22 22 ARG N N 15 127.852 0.098 . 1 . . . . . 49 ARG N . 27593 1 146 . 1 1 23 23 LEU H H 1 9.683 0.002 . 1 . . . . . 50 LEU H . 27593 1 147 . 1 1 23 23 LEU HA H 1 5.270 0.008 . 1 . . . . . 50 LEU HA . 27593 1 148 . 1 1 23 23 LEU HB2 H 1 1.709 0.006 . 1 . . . . . 50 LEU HB2 . 27593 1 149 . 1 1 23 23 LEU HB3 H 1 1.229 0.004 . 1 . . . . . 50 LEU HB3 . 27593 1 150 . 1 1 23 23 LEU HG H 1 1.415 0.002 . 1 . . . . . 50 LEU HG . 27593 1 151 . 1 1 23 23 LEU HD11 H 1 0.714 0.000 . 1 . . . . . 50 LEU HD11 . 27593 1 152 . 1 1 23 23 LEU HD12 H 1 0.714 0.000 . 1 . . . . . 50 LEU HD12 . 27593 1 153 . 1 1 23 23 LEU HD13 H 1 0.714 0.000 . 1 . . . . . 50 LEU HD13 . 27593 1 154 . 1 1 23 23 LEU HD21 H 1 0.588 0.005 . 1 . . . . . 50 LEU HD21 . 27593 1 155 . 1 1 23 23 LEU HD22 H 1 0.588 0.005 . 1 . . . . . 50 LEU HD22 . 27593 1 156 . 1 1 23 23 LEU HD23 H 1 0.588 0.005 . 1 . . . . . 50 LEU HD23 . 27593 1 157 . 1 1 23 23 LEU C C 13 174.910 0.009 . 1 . . . . . 50 LEU C . 27593 1 158 . 1 1 23 23 LEU CA C 13 53.455 0.030 . 1 . . . . . 50 LEU CA . 27593 1 159 . 1 1 23 23 LEU CB C 13 44.971 0.081 . 1 . . . . . 50 LEU CB . 27593 1 160 . 1 1 23 23 LEU CG C 13 27.576 0.035 . 1 . . . . . 50 LEU CG . 27593 1 161 . 1 1 23 23 LEU CD1 C 13 25.430 0.079 . 1 . . . . . 50 LEU CD1 . 27593 1 162 . 1 1 23 23 LEU N N 15 132.342 0.082 . 1 . . . . . 50 LEU N . 27593 1 163 . 1 1 24 24 THR H H 1 9.103 0.003 . 1 . . . . . 51 THR H . 27593 1 164 . 1 1 24 24 THR HA H 1 5.295 0.007 . 1 . . . . . 51 THR HA . 27593 1 165 . 1 1 24 24 THR HB H 1 3.824 0.006 . 1 . . . . . 51 THR HB . 27593 1 166 . 1 1 24 24 THR HG21 H 1 1.017 0.021 . 1 . . . . . 51 THR HG21 . 27593 1 167 . 1 1 24 24 THR HG22 H 1 1.017 0.021 . 1 . . . . . 51 THR HG22 . 27593 1 168 . 1 1 24 24 THR HG23 H 1 1.017 0.021 . 1 . . . . . 51 THR HG23 . 27593 1 169 . 1 1 24 24 THR C C 13 173.522 0.003 . 1 . . . . . 51 THR C . 27593 1 170 . 1 1 24 24 THR CA C 13 60.728 0.048 . 1 . . . . . 51 THR CA . 27593 1 171 . 1 1 24 24 THR CB C 13 71.763 0.039 . 1 . . . . . 51 THR CB . 27593 1 172 . 1 1 24 24 THR CG2 C 13 22.157 0.043 . 1 . . . . . 51 THR CG2 . 27593 1 173 . 1 1 24 24 THR N N 15 117.692 0.093 . 1 . . . . . 51 THR N . 27593 1 174 . 1 1 25 25 LEU H H 1 9.103 0.008 . 1 . . . . . 52 LEU H . 27593 1 175 . 1 1 25 25 LEU HA H 1 5.050 0.007 . 1 . . . . . 52 LEU HA . 27593 1 176 . 1 1 25 25 LEU HB2 H 1 1.750 0.006 . 1 . . . . . 52 LEU HB2 . 27593 1 177 . 1 1 25 25 LEU HB3 H 1 1.464 0.005 . 1 . . . . . 52 LEU HB3 . 27593 1 178 . 1 1 25 25 LEU HD11 H 1 0.626 0.010 . 1 . . . . . 52 LEU HD11 . 27593 1 179 . 1 1 25 25 LEU HD12 H 1 0.626 0.010 . 1 . . . . . 52 LEU HD12 . 27593 1 180 . 1 1 25 25 LEU HD13 H 1 0.626 0.010 . 1 . . . . . 52 LEU HD13 . 27593 1 181 . 1 1 25 25 LEU C C 13 175.113 0.023 . 1 . . . . . 52 LEU C . 27593 1 182 . 1 1 25 25 LEU CA C 13 53.361 0.136 . 1 . . . . . 52 LEU CA . 27593 1 183 . 1 1 25 25 LEU CB C 13 44.470 0.063 . 1 . . . . . 52 LEU CB . 27593 1 184 . 1 1 25 25 LEU CD1 C 13 24.693 0.106 . 1 . . . . . 52 LEU CD1 . 27593 1 185 . 1 1 25 25 LEU N N 15 124.406 0.093 . 1 . . . . . 52 LEU N . 27593 1 186 . 1 1 26 26 GLU H H 1 9.105 0.003 . 1 . . . . . 53 GLU H . 27593 1 187 . 1 1 26 26 GLU HA H 1 5.618 0.008 . 1 . . . . . 53 GLU HA . 27593 1 188 . 1 1 26 26 GLU HB2 H 1 2.164 0.005 . 1 . . . . . 53 GLU HB2 . 27593 1 189 . 1 1 26 26 GLU HB3 H 1 1.820 0.002 . 1 . . . . . 53 GLU HB3 . 27593 1 190 . 1 1 26 26 GLU HG2 H 1 2.247 0.014 . 1 . . . . . 53 GLU HG2 . 27593 1 191 . 1 1 26 26 GLU HG3 H 1 2.162 0.004 . 1 . . . . . 53 GLU HG3 . 27593 1 192 . 1 1 26 26 GLU C C 13 175.882 0.006 . 1 . . . . . 53 GLU C . 27593 1 193 . 1 1 26 26 GLU CA C 13 54.587 0.092 . 1 . . . . . 53 GLU CA . 27593 1 194 . 1 1 26 26 GLU CB C 13 33.399 0.065 . 1 . . . . . 53 GLU CB . 27593 1 195 . 1 1 26 26 GLU CG C 13 38.111 0.055 . 1 . . . . . 53 GLU CG . 27593 1 196 . 1 1 26 26 GLU N N 15 126.126 0.071 . 1 . . . . . 53 GLU N . 27593 1 197 . 1 1 27 27 SER H H 1 9.013 0.002 . 1 . . . . . 54 SER H . 27593 1 198 . 1 1 27 27 SER HA H 1 5.686 0.009 . 1 . . . . . 54 SER HA . 27593 1 199 . 1 1 27 27 SER HB2 H 1 3.675 0.006 . 1 . . . . . 54 SER HB2 . 27593 1 200 . 1 1 27 27 SER HB3 H 1 3.467 0.003 . 1 . . . . . 54 SER HB3 . 27593 1 201 . 1 1 27 27 SER C C 13 174.082 0.029 . 1 . . . . . 54 SER C . 27593 1 202 . 1 1 27 27 SER CA C 13 56.797 0.048 . 1 . . . . . 54 SER CA . 27593 1 203 . 1 1 27 27 SER CB C 13 67.336 0.021 . 1 . . . . . 54 SER CB . 27593 1 204 . 1 1 27 27 SER N N 15 117.787 0.092 . 1 . . . . . 54 SER N . 27593 1 205 . 1 1 28 28 THR H H 1 8.368 0.005 . 1 . . . . . 55 THR H . 27593 1 206 . 1 1 28 28 THR HA H 1 4.086 0.008 . 1 . . . . . 55 THR HA . 27593 1 207 . 1 1 28 28 THR HB H 1 4.560 0.003 . 1 . . . . . 55 THR HB . 27593 1 208 . 1 1 28 28 THR HG21 H 1 1.312 0.001 . 1 . . . . . 55 THR HG21 . 27593 1 209 . 1 1 28 28 THR HG22 H 1 1.312 0.001 . 1 . . . . . 55 THR HG22 . 27593 1 210 . 1 1 28 28 THR HG23 H 1 1.312 0.001 . 1 . . . . . 55 THR HG23 . 27593 1 211 . 1 1 28 28 THR C C 13 173.763 0.014 . 1 . . . . . 55 THR C . 27593 1 212 . 1 1 28 28 THR CA C 13 63.751 0.033 . 1 . . . . . 55 THR CA . 27593 1 213 . 1 1 28 28 THR CB C 13 69.325 0.019 . 1 . . . . . 55 THR CB . 27593 1 214 . 1 1 28 28 THR CG2 C 13 23.595 0.024 . 1 . . . . . 55 THR CG2 . 27593 1 215 . 1 1 28 28 THR N N 15 107.104 0.055 . 1 . . . . . 55 THR N . 27593 1 216 . 1 1 29 29 ALA H H 1 7.433 0.005 . 1 . . . . . 56 ALA H . 27593 1 217 . 1 1 29 29 ALA HA H 1 4.497 0.006 . 1 . . . . . 56 ALA HA . 27593 1 218 . 1 1 29 29 ALA HB1 H 1 1.326 0.007 . 1 . . . . . 56 ALA HB1 . 27593 1 219 . 1 1 29 29 ALA HB2 H 1 1.326 0.007 . 1 . . . . . 56 ALA HB2 . 27593 1 220 . 1 1 29 29 ALA HB3 H 1 1.326 0.007 . 1 . . . . . 56 ALA HB3 . 27593 1 221 . 1 1 29 29 ALA C C 13 175.294 0.028 . 1 . . . . . 56 ALA C . 27593 1 222 . 1 1 29 29 ALA CA C 13 50.638 0.075 . 1 . . . . . 56 ALA CA . 27593 1 223 . 1 1 29 29 ALA CB C 13 22.150 0.046 . 1 . . . . . 56 ALA CB . 27593 1 224 . 1 1 29 29 ALA N N 15 120.336 0.038 . 1 . . . . . 56 ALA N . 27593 1 225 . 1 1 30 30 ALA H H 1 8.373 0.007 . 1 . . . . . 57 ALA H . 27593 1 226 . 1 1 30 30 ALA HA H 1 4.043 0.009 . 1 . . . . . 57 ALA HA . 27593 1 227 . 1 1 30 30 ALA HB1 H 1 1.355 0.003 . 1 . . . . . 57 ALA HB1 . 27593 1 228 . 1 1 30 30 ALA HB2 H 1 1.355 0.003 . 1 . . . . . 57 ALA HB2 . 27593 1 229 . 1 1 30 30 ALA HB3 H 1 1.355 0.003 . 1 . . . . . 57 ALA HB3 . 27593 1 230 . 1 1 30 30 ALA C C 13 177.634 0.017 . 1 . . . . . 57 ALA C . 27593 1 231 . 1 1 30 30 ALA CA C 13 53.340 0.125 . 1 . . . . . 57 ALA CA . 27593 1 232 . 1 1 30 30 ALA CB C 13 18.773 0.035 . 1 . . . . . 57 ALA CB . 27593 1 233 . 1 1 30 30 ALA N N 15 123.795 0.054 . 1 . . . . . 57 ALA N . 27593 1 234 . 1 1 31 31 LEU H H 1 8.554 0.002 . 1 . . . . . 58 LEU H . 27593 1 235 . 1 1 31 31 LEU HA H 1 4.600 0.004 . 1 . . . . . 58 LEU HA . 27593 1 236 . 1 1 31 31 LEU HB2 H 1 1.816 0.000 . 1 . . . . . 58 LEU HB2 . 27593 1 237 . 1 1 31 31 LEU HB3 H 1 1.727 0.010 . 1 . . . . . 58 LEU HB3 . 27593 1 238 . 1 1 31 31 LEU HD11 H 1 0.624 0.000 . 1 . . . . . 58 LEU HD11 . 27593 1 239 . 1 1 31 31 LEU HD12 H 1 0.624 0.000 . 1 . . . . . 58 LEU HD12 . 27593 1 240 . 1 1 31 31 LEU HD13 H 1 0.624 0.000 . 1 . . . . . 58 LEU HD13 . 27593 1 241 . 1 1 31 31 LEU C C 13 177.064 0.002 . 1 . . . . . 58 LEU C . 27593 1 242 . 1 1 31 31 LEU CA C 13 53.616 0.080 . 1 . . . . . 58 LEU CA . 27593 1 243 . 1 1 31 31 LEU CB C 13 43.613 0.035 . 1 . . . . . 58 LEU CB . 27593 1 244 . 1 1 31 31 LEU CD1 C 13 22.422 0.000 . 1 . . . . . 58 LEU CD1 . 27593 1 245 . 1 1 31 31 LEU N N 15 120.657 0.067 . 1 . . . . . 58 LEU N . 27593 1 246 . 1 1 32 32 LYS H H 1 9.001 0.003 . 1 . . . . . 59 LYS H . 27593 1 247 . 1 1 32 32 LYS HA H 1 4.571 0.007 . 1 . . . . . 59 LYS HA . 27593 1 248 . 1 1 32 32 LYS HB2 H 1 1.756 0.001 . 1 . . . . . 59 LYS HB2 . 27593 1 249 . 1 1 32 32 LYS HB3 H 1 1.643 0.005 . 1 . . . . . 59 LYS HB3 . 27593 1 250 . 1 1 32 32 LYS HG2 H 1 1.435 0.000 . 1 . . . . . 59 LYS HG2 . 27593 1 251 . 1 1 32 32 LYS HG3 H 1 1.351 0.000 . 1 . . . . . 59 LYS HG3 . 27593 1 252 . 1 1 32 32 LYS HD2 H 1 1.628 0.001 . 1 . . . . . 59 LYS HD2 . 27593 1 253 . 1 1 32 32 LYS HE2 H 1 3.139 0.000 . 1 . . . . . 59 LYS HE2 . 27593 1 254 . 1 1 32 32 LYS HE3 H 1 2.925 0.000 . 1 . . . . . 59 LYS HE3 . 27593 1 255 . 1 1 32 32 LYS C C 13 174.741 0.005 . 1 . . . . . 59 LYS C . 27593 1 256 . 1 1 32 32 LYS CA C 13 55.339 0.053 . 1 . . . . . 59 LYS CA . 27593 1 257 . 1 1 32 32 LYS CB C 13 33.326 0.101 . 1 . . . . . 59 LYS CB . 27593 1 258 . 1 1 32 32 LYS CG C 13 24.913 0.054 . 1 . . . . . 59 LYS CG . 27593 1 259 . 1 1 32 32 LYS CD C 13 29.015 0.070 . 1 . . . . . 59 LYS CD . 27593 1 260 . 1 1 32 32 LYS CE C 13 43.317 0.009 . 1 . . . . . 59 LYS CE . 27593 1 261 . 1 1 32 32 LYS N N 15 123.696 0.072 . 1 . . . . . 59 LYS N . 27593 1 262 . 1 1 33 33 TYR H H 1 7.792 0.003 . 1 . . . . . 60 TYR H . 27593 1 263 . 1 1 33 33 TYR HA H 1 5.943 0.007 . 1 . . . . . 60 TYR HA . 27593 1 264 . 1 1 33 33 TYR HB2 H 1 2.834 0.006 . 1 . . . . . 60 TYR HB2 . 27593 1 265 . 1 1 33 33 TYR HB3 H 1 2.607 0.001 . 1 . . . . . 60 TYR HB3 . 27593 1 266 . 1 1 33 33 TYR C C 13 173.870 0.010 . 1 . . . . . 60 TYR C . 27593 1 267 . 1 1 33 33 TYR CA C 13 55.512 0.052 . 1 . . . . . 60 TYR CA . 27593 1 268 . 1 1 33 33 TYR CB C 13 42.543 0.060 . 1 . . . . . 60 TYR CB . 27593 1 269 . 1 1 33 33 TYR N N 15 119.814 0.102 . 1 . . . . . 60 TYR N . 27593 1 270 . 1 1 34 34 GLN H H 1 9.048 0.002 . 1 . . . . . 61 GLN H . 27593 1 271 . 1 1 34 34 GLN HA H 1 4.704 0.001 . 1 . . . . . 61 GLN HA . 27593 1 272 . 1 1 34 34 GLN HB2 H 1 2.027 0.000 . 1 . . . . . 61 GLN HB2 . 27593 1 273 . 1 1 34 34 GLN C C 13 173.716 0.011 . 1 . . . . . 61 GLN C . 27593 1 274 . 1 1 34 34 GLN CA C 13 55.289 0.052 . 1 . . . . . 61 GLN CA . 27593 1 275 . 1 1 34 34 GLN CB C 13 33.294 0.025 . 1 . . . . . 61 GLN CB . 27593 1 276 . 1 1 34 34 GLN N N 15 118.544 0.047 . 1 . . . . . 61 GLN N . 27593 1 277 . 1 1 35 35 HIS H H 1 8.544 0.002 . 1 . . . . . 62 HIS H . 27593 1 278 . 1 1 35 35 HIS HA H 1 6.067 0.007 . 1 . . . . . 62 HIS HA . 27593 1 279 . 1 1 35 35 HIS HB2 H 1 3.187 0.006 . 1 . . . . . 62 HIS HB2 . 27593 1 280 . 1 1 35 35 HIS HB3 H 1 2.936 0.003 . 1 . . . . . 62 HIS HB3 . 27593 1 281 . 1 1 35 35 HIS C C 13 173.672 0.010 . 1 . . . . . 62 HIS C . 27593 1 282 . 1 1 35 35 HIS CA C 13 54.681 0.035 . 1 . . . . . 62 HIS CA . 27593 1 283 . 1 1 35 35 HIS CB C 13 35.515 0.122 . 1 . . . . . 62 HIS CB . 27593 1 284 . 1 1 35 35 HIS N N 15 119.722 0.059 . 1 . . . . . 62 HIS N . 27593 1 285 . 1 1 36 36 PHE H H 1 9.020 0.002 . 1 . . . . . 63 PHE H . 27593 1 286 . 1 1 36 36 PHE HA H 1 4.746 0.006 . 1 . . . . . 63 PHE HA . 27593 1 287 . 1 1 36 36 PHE HB2 H 1 3.309 0.003 . 1 . . . . . 63 PHE HB2 . 27593 1 288 . 1 1 36 36 PHE HB3 H 1 2.994 0.005 . 1 . . . . . 63 PHE HB3 . 27593 1 289 . 1 1 36 36 PHE C C 13 172.015 0.027 . 1 . . . . . 63 PHE C . 27593 1 290 . 1 1 36 36 PHE CA C 13 56.753 0.064 . 1 . . . . . 63 PHE CA . 27593 1 291 . 1 1 36 36 PHE CB C 13 40.241 0.073 . 1 . . . . . 63 PHE CB . 27593 1 292 . 1 1 36 36 PHE N N 15 116.958 0.098 . 1 . . . . . 63 PHE N . 27593 1 293 . 1 1 37 37 ALA H H 1 8.709 0.004 . 1 . . . . . 64 ALA H . 27593 1 294 . 1 1 37 37 ALA HA H 1 5.280 0.005 . 1 . . . . . 64 ALA HA . 27593 1 295 . 1 1 37 37 ALA HB1 H 1 1.545 0.002 . 1 . . . . . 64 ALA HB1 . 27593 1 296 . 1 1 37 37 ALA HB2 H 1 1.545 0.002 . 1 . . . . . 64 ALA HB2 . 27593 1 297 . 1 1 37 37 ALA HB3 H 1 1.545 0.002 . 1 . . . . . 64 ALA HB3 . 27593 1 298 . 1 1 37 37 ALA C C 13 176.776 0.008 . 1 . . . . . 64 ALA C . 27593 1 299 . 1 1 37 37 ALA CA C 13 50.869 0.034 . 1 . . . . . 64 ALA CA . 27593 1 300 . 1 1 37 37 ALA CB C 13 21.550 0.085 . 1 . . . . . 64 ALA CB . 27593 1 301 . 1 1 37 37 ALA N N 15 123.472 0.069 . 1 . . . . . 64 ALA N . 27593 1 302 . 1 1 38 38 LEU H H 1 8.765 0.005 . 1 . . . . . 65 LEU H . 27593 1 303 . 1 1 38 38 LEU HA H 1 4.882 0.007 . 1 . . . . . 65 LEU HA . 27593 1 304 . 1 1 38 38 LEU HB2 H 1 1.741 0.000 . 1 . . . . . 65 LEU HB2 . 27593 1 305 . 1 1 38 38 LEU HB3 H 1 1.573 0.000 . 1 . . . . . 65 LEU HB3 . 27593 1 306 . 1 1 38 38 LEU C C 13 175.639 0.023 . 1 . . . . . 65 LEU C . 27593 1 307 . 1 1 38 38 LEU CA C 13 53.559 0.035 . 1 . . . . . 65 LEU CA . 27593 1 308 . 1 1 38 38 LEU CB C 13 46.159 0.001 . 1 . . . . . 65 LEU CB . 27593 1 309 . 1 1 38 38 LEU N N 15 121.369 0.076 . 1 . . . . . 65 LEU N . 27593 1 310 . 1 1 39 39 ASP H H 1 8.433 0.002 . 1 . . . . . 66 ASP H . 27593 1 311 . 1 1 39 39 ASP HA H 1 4.854 0.011 . 1 . . . . . 66 ASP HA . 27593 1 312 . 1 1 39 39 ASP HB2 H 1 2.656 0.009 . 1 . . . . . 66 ASP HB2 . 27593 1 313 . 1 1 39 39 ASP HB3 H 1 2.540 0.002 . 1 . . . . . 66 ASP HB3 . 27593 1 314 . 1 1 39 39 ASP C C 13 176.492 0.029 . 1 . . . . . 66 ASP C . 27593 1 315 . 1 1 39 39 ASP CA C 13 52.864 0.082 . 1 . . . . . 66 ASP CA . 27593 1 316 . 1 1 39 39 ASP CB C 13 43.922 0.095 . 1 . . . . . 66 ASP CB . 27593 1 317 . 1 1 39 39 ASP N N 15 119.741 0.048 . 1 . . . . . 66 ASP N . 27593 1 318 . 1 1 40 40 ASN H H 1 8.650 0.008 . 1 . . . . . 67 ASN H . 27593 1 319 . 1 1 40 40 ASN HA H 1 4.444 0.006 . 1 . . . . . 67 ASN HA . 27593 1 320 . 1 1 40 40 ASN HB2 H 1 2.890 0.001 . 1 . . . . . 67 ASN HB2 . 27593 1 321 . 1 1 40 40 ASN HB3 H 1 2.701 0.006 . 1 . . . . . 67 ASN HB3 . 27593 1 322 . 1 1 40 40 ASN C C 13 172.754 0.000 . 1 . . . . . 67 ASN C . 27593 1 323 . 1 1 40 40 ASN CA C 13 53.288 0.120 . 1 . . . . . 67 ASN CA . 27593 1 324 . 1 1 40 40 ASN CB C 13 38.377 0.024 . 1 . . . . . 67 ASN CB . 27593 1 325 . 1 1 40 40 ASN N N 15 113.437 0.049 . 1 . . . . . 67 ASN N . 27593 1 326 . 1 1 41 41 PRO HA H 1 4.681 0.016 . 1 . . . . . 68 PRO HA . 27593 1 327 . 1 1 41 41 PRO HB2 H 1 2.247 0.011 . 1 . . . . . 68 PRO HB2 . 27593 1 328 . 1 1 41 41 PRO C C 13 177.321 0.000 . 1 . . . . . 68 PRO C . 27593 1 329 . 1 1 41 41 PRO CA C 13 63.313 0.096 . 1 . . . . . 68 PRO CA . 27593 1 330 . 1 1 41 41 PRO CB C 13 34.406 0.257 . 1 . . . . . 68 PRO CB . 27593 1 331 . 1 1 42 42 GLY H H 1 8.613 0.009 . 1 . . . . . 69 GLY H . 27593 1 332 . 1 1 42 42 GLY HA2 H 1 4.550 0.006 . 1 . . . . . 69 GLY HA2 . 27593 1 333 . 1 1 42 42 GLY HA3 H 1 3.794 0.006 . 1 . . . . . 69 GLY HA3 . 27593 1 334 . 1 1 42 42 GLY C C 13 174.750 0.004 . 1 . . . . . 69 GLY C . 27593 1 335 . 1 1 42 42 GLY CA C 13 47.596 0.065 . 1 . . . . . 69 GLY CA . 27593 1 336 . 1 1 42 42 GLY N N 15 106.962 0.074 . 1 . . . . . 69 GLY N . 27593 1 337 . 1 1 43 43 ARG H H 1 8.760 0.004 . 1 . . . . . 70 ARG H . 27593 1 338 . 1 1 43 43 ARG HA H 1 5.402 0.004 . 1 . . . . . 70 ARG HA . 27593 1 339 . 1 1 43 43 ARG HB2 H 1 1.634 0.007 . 1 . . . . . 70 ARG HB2 . 27593 1 340 . 1 1 43 43 ARG HB3 H 1 1.511 0.009 . 1 . . . . . 70 ARG HB3 . 27593 1 341 . 1 1 43 43 ARG HG2 H 1 1.857 0.000 . 1 . . . . . 70 ARG HG2 . 27593 1 342 . 1 1 43 43 ARG HD2 H 1 3.040 0.000 . 1 . . . . . 70 ARG HD2 . 27593 1 343 . 1 1 43 43 ARG C C 13 174.400 0.013 . 1 . . . . . 70 ARG C . 27593 1 344 . 1 1 43 43 ARG CA C 13 54.812 0.050 . 1 . . . . . 70 ARG CA . 27593 1 345 . 1 1 43 43 ARG CB C 13 36.566 0.091 . 1 . . . . . 70 ARG CB . 27593 1 346 . 1 1 43 43 ARG CG C 13 26.443 0.064 . 1 . . . . . 70 ARG CG . 27593 1 347 . 1 1 43 43 ARG CD C 13 43.910 0.038 . 1 . . . . . 70 ARG CD . 27593 1 348 . 1 1 43 43 ARG N N 15 127.220 0.089 . 1 . . . . . 70 ARG N . 27593 1 349 . 1 1 44 44 LEU H H 1 9.060 0.002 . 1 . . . . . 71 LEU H . 27593 1 350 . 1 1 44 44 LEU HA H 1 4.931 0.013 . 1 . . . . . 71 LEU HA . 27593 1 351 . 1 1 44 44 LEU HB2 H 1 1.722 0.003 . 1 . . . . . 71 LEU HB2 . 27593 1 352 . 1 1 44 44 LEU HB3 H 1 1.289 0.006 . 1 . . . . . 71 LEU HB3 . 27593 1 353 . 1 1 44 44 LEU HG H 1 0.631 0.003 . 1 . . . . . 71 LEU HG . 27593 1 354 . 1 1 44 44 LEU HD11 H 1 0.868 0.002 . 1 . . . . . 71 LEU HD11 . 27593 1 355 . 1 1 44 44 LEU HD12 H 1 0.868 0.002 . 1 . . . . . 71 LEU HD12 . 27593 1 356 . 1 1 44 44 LEU HD13 H 1 0.868 0.002 . 1 . . . . . 71 LEU HD13 . 27593 1 357 . 1 1 44 44 LEU C C 13 173.848 0.014 . 1 . . . . . 71 LEU C . 27593 1 358 . 1 1 44 44 LEU CA C 13 53.632 0.066 . 1 . . . . . 71 LEU CA . 27593 1 359 . 1 1 44 44 LEU CB C 13 45.539 0.097 . 1 . . . . . 71 LEU CB . 27593 1 360 . 1 1 44 44 LEU CG C 13 26.507 0.105 . 1 . . . . . 71 LEU CG . 27593 1 361 . 1 1 44 44 LEU CD1 C 13 23.667 0.058 . 1 . . . . . 71 LEU CD1 . 27593 1 362 . 1 1 44 44 LEU N N 15 123.705 0.109 . 1 . . . . . 71 LEU N . 27593 1 363 . 1 1 45 45 VAL H H 1 8.973 0.004 . 1 . . . . . 72 VAL H . 27593 1 364 . 1 1 45 45 VAL HA H 1 4.763 0.005 . 1 . . . . . 72 VAL HA . 27593 1 365 . 1 1 45 45 VAL HB H 1 0.731 0.006 . 1 . . . . . 72 VAL HB . 27593 1 366 . 1 1 45 45 VAL HG11 H 1 0.563 0.001 . 1 . . . . . 72 VAL HG11 . 27593 1 367 . 1 1 45 45 VAL HG12 H 1 0.563 0.001 . 1 . . . . . 72 VAL HG12 . 27593 1 368 . 1 1 45 45 VAL HG13 H 1 0.563 0.001 . 1 . . . . . 72 VAL HG13 . 27593 1 369 . 1 1 45 45 VAL HG21 H 1 0.592 0.020 . 1 . . . . . 72 VAL HG21 . 27593 1 370 . 1 1 45 45 VAL HG22 H 1 0.592 0.020 . 1 . . . . . 72 VAL HG22 . 27593 1 371 . 1 1 45 45 VAL HG23 H 1 0.592 0.020 . 1 . . . . . 72 VAL HG23 . 27593 1 372 . 1 1 45 45 VAL C C 13 174.865 0.003 . 1 . . . . . 72 VAL C . 27593 1 373 . 1 1 45 45 VAL CA C 13 60.947 0.022 . 1 . . . . . 72 VAL CA . 27593 1 374 . 1 1 45 45 VAL CB C 13 32.671 0.032 . 1 . . . . . 72 VAL CB . 27593 1 375 . 1 1 45 45 VAL CG1 C 13 22.322 0.015 . 1 . . . . . 72 VAL CG1 . 27593 1 376 . 1 1 45 45 VAL CG2 C 13 21.507 0.003 . 1 . . . . . 72 VAL CG2 . 27593 1 377 . 1 1 45 45 VAL N N 15 127.607 0.050 . 1 . . . . . 72 VAL N . 27593 1 378 . 1 1 46 46 VAL H H 1 9.041 0.003 . 1 . . . . . 73 VAL H . 27593 1 379 . 1 1 46 46 VAL HA H 1 4.647 0.038 . 1 . . . . . 73 VAL HA . 27593 1 380 . 1 1 46 46 VAL HB H 1 1.942 0.002 . 1 . . . . . 73 VAL HB . 27593 1 381 . 1 1 46 46 VAL HG11 H 1 0.762 0.012 . 1 . . . . . 73 VAL HG11 . 27593 1 382 . 1 1 46 46 VAL HG12 H 1 0.762 0.012 . 1 . . . . . 73 VAL HG12 . 27593 1 383 . 1 1 46 46 VAL HG13 H 1 0.762 0.012 . 1 . . . . . 73 VAL HG13 . 27593 1 384 . 1 1 46 46 VAL HG21 H 1 0.701 0.004 . 1 . . . . . 73 VAL HG21 . 27593 1 385 . 1 1 46 46 VAL HG22 H 1 0.701 0.004 . 1 . . . . . 73 VAL HG22 . 27593 1 386 . 1 1 46 46 VAL HG23 H 1 0.701 0.004 . 1 . . . . . 73 VAL HG23 . 27593 1 387 . 1 1 46 46 VAL C C 13 173.878 0.010 . 1 . . . . . 73 VAL C . 27593 1 388 . 1 1 46 46 VAL CA C 13 61.160 0.104 . 1 . . . . . 73 VAL CA . 27593 1 389 . 1 1 46 46 VAL CB C 13 34.576 0.034 . 1 . . . . . 73 VAL CB . 27593 1 390 . 1 1 46 46 VAL CG1 C 13 20.955 0.189 . 1 . . . . . 73 VAL CG1 . 27593 1 391 . 1 1 46 46 VAL CG2 C 13 19.875 0.066 . 1 . . . . . 73 VAL CG2 . 27593 1 392 . 1 1 46 46 VAL N N 15 125.457 0.074 . 1 . . . . . 73 VAL N . 27593 1 393 . 1 1 47 47 ASP H H 1 9.094 0.004 . 1 . . . . . 74 ASP H . 27593 1 394 . 1 1 47 47 ASP HA H 1 5.821 0.005 . 1 . . . . . 74 ASP HA . 27593 1 395 . 1 1 47 47 ASP HB2 H 1 2.576 0.003 . 1 . . . . . 74 ASP HB2 . 27593 1 396 . 1 1 47 47 ASP HB3 H 1 2.371 0.002 . 1 . . . . . 74 ASP HB3 . 27593 1 397 . 1 1 47 47 ASP C C 13 176.231 0.001 . 1 . . . . . 74 ASP C . 27593 1 398 . 1 1 47 47 ASP CA C 13 53.140 0.024 . 1 . . . . . 74 ASP CA . 27593 1 399 . 1 1 47 47 ASP CB C 13 42.761 0.009 . 1 . . . . . 74 ASP CB . 27593 1 400 . 1 1 47 47 ASP N N 15 128.169 0.059 . 1 . . . . . 74 ASP N . 27593 1 401 . 1 1 48 48 ILE H H 1 9.703 0.003 . 1 . . . . . 75 ILE H . 27593 1 402 . 1 1 48 48 ILE HA H 1 4.702 0.008 . 1 . . . . . 75 ILE HA . 27593 1 403 . 1 1 48 48 ILE HB H 1 1.847 0.003 . 1 . . . . . 75 ILE HB . 27593 1 404 . 1 1 48 48 ILE HG12 H 1 1.600 0.001 . 1 . . . . . 75 ILE HG12 . 27593 1 405 . 1 1 48 48 ILE HG13 H 1 0.933 0.001 . 1 . . . . . 75 ILE HG13 . 27593 1 406 . 1 1 48 48 ILE HG21 H 1 1.179 0.002 . 1 . . . . . 75 ILE HG21 . 27593 1 407 . 1 1 48 48 ILE HG22 H 1 1.179 0.002 . 1 . . . . . 75 ILE HG22 . 27593 1 408 . 1 1 48 48 ILE HG23 H 1 1.179 0.002 . 1 . . . . . 75 ILE HG23 . 27593 1 409 . 1 1 48 48 ILE HD11 H 1 0.697 0.007 . 1 . . . . . 75 ILE HD11 . 27593 1 410 . 1 1 48 48 ILE HD12 H 1 0.697 0.007 . 1 . . . . . 75 ILE HD12 . 27593 1 411 . 1 1 48 48 ILE HD13 H 1 0.697 0.007 . 1 . . . . . 75 ILE HD13 . 27593 1 412 . 1 1 48 48 ILE C C 13 175.804 0.013 . 1 . . . . . 75 ILE C . 27593 1 413 . 1 1 48 48 ILE CA C 13 60.870 0.058 . 1 . . . . . 75 ILE CA . 27593 1 414 . 1 1 48 48 ILE CB C 13 39.716 0.032 . 1 . . . . . 75 ILE CB . 27593 1 415 . 1 1 48 48 ILE CG1 C 13 28.224 0.023 . 1 . . . . . 75 ILE CG1 . 27593 1 416 . 1 1 48 48 ILE CG2 C 13 20.619 0.005 . 1 . . . . . 75 ILE CG2 . 27593 1 417 . 1 1 48 48 ILE CD1 C 13 14.110 0.051 . 1 . . . . . 75 ILE CD1 . 27593 1 418 . 1 1 48 48 ILE N N 15 124.440 0.069 . 1 . . . . . 75 ILE N . 27593 1 419 . 1 1 49 49 GLN H H 1 8.592 0.002 . 1 . . . . . 76 GLN H . 27593 1 420 . 1 1 49 49 GLN HA H 1 4.515 0.004 . 1 . . . . . 76 GLN HA . 27593 1 421 . 1 1 49 49 GLN HB2 H 1 2.123 0.010 . 1 . . . . . 76 GLN HB2 . 27593 1 422 . 1 1 49 49 GLN HB3 H 1 1.818 0.008 . 1 . . . . . 76 GLN HB3 . 27593 1 423 . 1 1 49 49 GLN HG2 H 1 2.324 0.003 . 1 . . . . . 76 GLN HG2 . 27593 1 424 . 1 1 49 49 GLN C C 13 175.583 0.013 . 1 . . . . . 76 GLN C . 27593 1 425 . 1 1 49 49 GLN CA C 13 56.019 0.076 . 1 . . . . . 76 GLN CA . 27593 1 426 . 1 1 49 49 GLN CB C 13 30.281 0.137 . 1 . . . . . 76 GLN CB . 27593 1 427 . 1 1 49 49 GLN CG C 13 33.949 0.112 . 1 . . . . . 76 GLN CG . 27593 1 428 . 1 1 49 49 GLN N N 15 124.791 0.046 . 1 . . . . . 76 GLN N . 27593 1 429 . 1 1 50 50 ASN H H 1 8.541 0.003 . 1 . . . . . 77 ASN H . 27593 1 430 . 1 1 50 50 ASN HA H 1 4.492 0.005 . 1 . . . . . 77 ASN HA . 27593 1 431 . 1 1 50 50 ASN HB2 H 1 2.932 0.001 . 1 . . . . . 77 ASN HB2 . 27593 1 432 . 1 1 50 50 ASN HB3 H 1 2.868 0.001 . 1 . . . . . 77 ASN HB3 . 27593 1 433 . 1 1 50 50 ASN C C 13 172.992 0.020 . 1 . . . . . 77 ASN C . 27593 1 434 . 1 1 50 50 ASN CA C 13 54.108 0.076 . 1 . . . . . 77 ASN CA . 27593 1 435 . 1 1 50 50 ASN CB C 13 37.745 0.020 . 1 . . . . . 77 ASN CB . 27593 1 436 . 1 1 50 50 ASN N N 15 118.539 0.182 . 1 . . . . . 77 ASN N . 27593 1 437 . 1 1 51 51 ALA H H 1 7.629 0.005 . 1 . . . . . 78 ALA H . 27593 1 438 . 1 1 51 51 ALA HA H 1 4.712 0.005 . 1 . . . . . 78 ALA HA . 27593 1 439 . 1 1 51 51 ALA HB1 H 1 1.109 0.003 . 1 . . . . . 78 ALA HB1 . 27593 1 440 . 1 1 51 51 ALA HB2 H 1 1.109 0.003 . 1 . . . . . 78 ALA HB2 . 27593 1 441 . 1 1 51 51 ALA HB3 H 1 1.109 0.003 . 1 . . . . . 78 ALA HB3 . 27593 1 442 . 1 1 51 51 ALA C C 13 175.083 0.012 . 1 . . . . . 78 ALA C . 27593 1 443 . 1 1 51 51 ALA CA C 13 50.960 0.030 . 1 . . . . . 78 ALA CA . 27593 1 444 . 1 1 51 51 ALA CB C 13 23.263 0.081 . 1 . . . . . 78 ALA CB . 27593 1 445 . 1 1 51 51 ALA N N 15 117.549 0.048 . 1 . . . . . 78 ALA N . 27593 1 446 . 1 1 52 52 ASN H H 1 8.380 0.005 . 1 . . . . . 79 ASN H . 27593 1 447 . 1 1 52 52 ASN HA H 1 5.321 0.007 . 1 . . . . . 79 ASN HA . 27593 1 448 . 1 1 52 52 ASN HB2 H 1 2.769 0.001 . 1 . . . . . 79 ASN HB2 . 27593 1 449 . 1 1 52 52 ASN HB3 H 1 2.565 0.003 . 1 . . . . . 79 ASN HB3 . 27593 1 450 . 1 1 52 52 ASN C C 13 174.764 0.008 . 1 . . . . . 79 ASN C . 27593 1 451 . 1 1 52 52 ASN CA C 13 51.615 0.037 . 1 . . . . . 79 ASN CA . 27593 1 452 . 1 1 52 52 ASN CB C 13 42.205 0.019 . 1 . . . . . 79 ASN CB . 27593 1 453 . 1 1 52 52 ASN N N 15 115.876 0.041 . 1 . . . . . 79 ASN N . 27593 1 454 . 1 1 53 53 ILE H H 1 8.445 0.002 . 1 . . . . . 80 ILE H . 27593 1 455 . 1 1 53 53 ILE HA H 1 3.775 0.007 . 1 . . . . . 80 ILE HA . 27593 1 456 . 1 1 53 53 ILE HB H 1 1.700 0.008 . 1 . . . . . 80 ILE HB . 27593 1 457 . 1 1 53 53 ILE HG12 H 1 1.395 0.004 . 1 . . . . . 80 ILE HG12 . 27593 1 458 . 1 1 53 53 ILE HG13 H 1 1.109 0.006 . 1 . . . . . 80 ILE HG13 . 27593 1 459 . 1 1 53 53 ILE HG21 H 1 0.925 0.004 . 1 . . . . . 80 ILE HG21 . 27593 1 460 . 1 1 53 53 ILE HG22 H 1 0.925 0.004 . 1 . . . . . 80 ILE HG22 . 27593 1 461 . 1 1 53 53 ILE HG23 H 1 0.925 0.004 . 1 . . . . . 80 ILE HG23 . 27593 1 462 . 1 1 53 53 ILE HD11 H 1 0.620 0.007 . 1 . . . . . 80 ILE HD11 . 27593 1 463 . 1 1 53 53 ILE HD12 H 1 0.620 0.007 . 1 . . . . . 80 ILE HD12 . 27593 1 464 . 1 1 53 53 ILE HD13 H 1 0.620 0.007 . 1 . . . . . 80 ILE HD13 . 27593 1 465 . 1 1 53 53 ILE C C 13 173.156 0.020 . 1 . . . . . 80 ILE C . 27593 1 466 . 1 1 53 53 ILE CA C 13 62.390 0.052 . 1 . . . . . 80 ILE CA . 27593 1 467 . 1 1 53 53 ILE CB C 13 38.570 0.040 . 1 . . . . . 80 ILE CB . 27593 1 468 . 1 1 53 53 ILE CG1 C 13 29.627 0.084 . 1 . . . . . 80 ILE CG1 . 27593 1 469 . 1 1 53 53 ILE CG2 C 13 17.174 0.028 . 1 . . . . . 80 ILE CG2 . 27593 1 470 . 1 1 53 53 ILE CD1 C 13 13.778 0.055 . 1 . . . . . 80 ILE CD1 . 27593 1 471 . 1 1 53 53 ILE N N 15 120.971 0.053 . 1 . . . . . 80 ILE N . 27593 1 472 . 1 1 54 54 ASN H H 1 6.845 0.004 . 1 . . . . . 81 ASN H . 27593 1 473 . 1 1 54 54 ASN HA H 1 4.998 0.011 . 1 . . . . . 81 ASN HA . 27593 1 474 . 1 1 54 54 ASN HB2 H 1 3.595 0.011 . 1 . . . . . 81 ASN HB2 . 27593 1 475 . 1 1 54 54 ASN HB3 H 1 3.167 0.004 . 1 . . . . . 81 ASN HB3 . 27593 1 476 . 1 1 54 54 ASN C C 13 175.880 0.000 . 1 . . . . . 81 ASN C . 27593 1 477 . 1 1 54 54 ASN CA C 13 51.395 0.019 . 1 . . . . . 81 ASN CA . 27593 1 478 . 1 1 54 54 ASN CB C 13 40.427 0.018 . 1 . . . . . 81 ASN CB . 27593 1 479 . 1 1 54 54 ASN N N 15 122.664 0.092 . 1 . . . . . 81 ASN N . 27593 1 480 . 1 1 55 55 THR HA H 1 4.033 0.005 . 1 . . . . . 82 THR HA . 27593 1 481 . 1 1 55 55 THR HB H 1 4.257 0.002 . 1 . . . . . 82 THR HB . 27593 1 482 . 1 1 55 55 THR HG21 H 1 1.362 0.001 . 1 . . . . . 82 THR HG1 . 27593 1 483 . 1 1 55 55 THR HG22 H 1 1.362 0.001 . 1 . . . . . 82 THR HG1 . 27593 1 484 . 1 1 55 55 THR HG23 H 1 1.362 0.001 . 1 . . . . . 82 THR HG1 . 27593 1 485 . 1 1 55 55 THR C C 13 176.456 0.000 . 1 . . . . . 82 THR C . 27593 1 486 . 1 1 55 55 THR CA C 13 65.864 0.071 . 1 . . . . . 82 THR CA . 27593 1 487 . 1 1 55 55 THR CB C 13 68.700 0.062 . 1 . . . . . 82 THR CB . 27593 1 488 . 1 1 55 55 THR CG2 C 13 21.916 0.024 . 1 . . . . . 82 THR CG2 . 27593 1 489 . 1 1 56 56 VAL H H 1 7.080 0.003 . 1 . . . . . 83 VAL H . 27593 1 490 . 1 1 56 56 VAL HA H 1 3.664 0.008 . 1 . . . . . 83 VAL HA . 27593 1 491 . 1 1 56 56 VAL HB H 1 2.131 0.007 . 1 . . . . . 83 VAL HB . 27593 1 492 . 1 1 56 56 VAL HG11 H 1 0.927 0.004 . 1 . . . . . 83 VAL HG11 . 27593 1 493 . 1 1 56 56 VAL HG12 H 1 0.927 0.004 . 1 . . . . . 83 VAL HG12 . 27593 1 494 . 1 1 56 56 VAL HG13 H 1 0.927 0.004 . 1 . . . . . 83 VAL HG13 . 27593 1 495 . 1 1 56 56 VAL HG21 H 1 0.676 0.007 . 1 . . . . . 83 VAL HG21 . 27593 1 496 . 1 1 56 56 VAL HG22 H 1 0.676 0.007 . 1 . . . . . 83 VAL HG22 . 27593 1 497 . 1 1 56 56 VAL HG23 H 1 0.676 0.007 . 1 . . . . . 83 VAL HG23 . 27593 1 498 . 1 1 56 56 VAL C C 13 178.283 0.007 . 1 . . . . . 83 VAL C . 27593 1 499 . 1 1 56 56 VAL CA C 13 65.583 0.067 . 1 . . . . . 83 VAL CA . 27593 1 500 . 1 1 56 56 VAL CB C 13 31.328 0.044 . 1 . . . . . 83 VAL CB . 27593 1 501 . 1 1 56 56 VAL CG1 C 13 22.345 0.019 . 1 . . . . . 83 VAL CG1 . 27593 1 502 . 1 1 56 56 VAL CG2 C 13 20.628 0.102 . 1 . . . . . 83 VAL CG2 . 27593 1 503 . 1 1 56 56 VAL N N 15 121.394 0.055 . 1 . . . . . 83 VAL N . 27593 1 504 . 1 1 57 57 LEU H H 1 7.298 0.005 . 1 . . . . . 84 LEU H . 27593 1 505 . 1 1 57 57 LEU HA H 1 3.931 0.006 . 1 . . . . . 84 LEU HA . 27593 1 506 . 1 1 57 57 LEU HB2 H 1 1.378 0.008 . 1 . . . . . 84 LEU HB2 . 27593 1 507 . 1 1 57 57 LEU HB3 H 1 1.261 0.004 . 1 . . . . . 84 LEU HB3 . 27593 1 508 . 1 1 57 57 LEU HG H 1 1.263 0.006 . 1 . . . . . 84 LEU HG . 27593 1 509 . 1 1 57 57 LEU HD11 H 1 0.214 0.004 . 1 . . . . . 84 LEU HD11 . 27593 1 510 . 1 1 57 57 LEU HD12 H 1 0.214 0.004 . 1 . . . . . 84 LEU HD12 . 27593 1 511 . 1 1 57 57 LEU HD13 H 1 0.214 0.004 . 1 . . . . . 84 LEU HD13 . 27593 1 512 . 1 1 57 57 LEU HD21 H 1 0.215 0.003 . 1 . . . . . 84 LEU HD21 . 27593 1 513 . 1 1 57 57 LEU HD22 H 1 0.215 0.003 . 1 . . . . . 84 LEU HD22 . 27593 1 514 . 1 1 57 57 LEU HD23 H 1 0.215 0.003 . 1 . . . . . 84 LEU HD23 . 27593 1 515 . 1 1 57 57 LEU C C 13 179.069 0.014 . 1 . . . . . 84 LEU C . 27593 1 516 . 1 1 57 57 LEU CA C 13 56.688 0.039 . 1 . . . . . 84 LEU CA . 27593 1 517 . 1 1 57 57 LEU CB C 13 41.792 0.081 . 1 . . . . . 84 LEU CB . 27593 1 518 . 1 1 57 57 LEU CG C 13 26.857 0.106 . 1 . . . . . 84 LEU CG . 27593 1 519 . 1 1 57 57 LEU CD1 C 13 25.387 0.122 . 1 . . . . . 84 LEU CD1 . 27593 1 520 . 1 1 57 57 LEU CD2 C 13 23.695 0.064 . 1 . . . . . 84 LEU CD2 . 27593 1 521 . 1 1 57 57 LEU N N 15 117.442 0.040 . 1 . . . . . 84 LEU N . 27593 1 522 . 1 1 58 58 HIS H H 1 8.156 0.006 . 1 . . . . . 85 HIS H . 27593 1 523 . 1 1 58 58 HIS HA H 1 4.460 0.015 . 1 . . . . . 85 HIS HA . 27593 1 524 . 1 1 58 58 HIS HB2 H 1 3.086 0.002 . 1 . . . . . 85 HIS HB2 . 27593 1 525 . 1 1 58 58 HIS C C 13 178.300 0.008 . 1 . . . . . 85 HIS C . 27593 1 526 . 1 1 58 58 HIS CA C 13 59.526 0.030 . 1 . . . . . 85 HIS CA . 27593 1 527 . 1 1 58 58 HIS CB C 13 31.181 0.046 . 1 . . . . . 85 HIS CB . 27593 1 528 . 1 1 58 58 HIS N N 15 118.367 0.049 . 1 . . . . . 85 HIS N . 27593 1 529 . 1 1 59 59 GLY H H 1 7.964 0.004 . 1 . . . . . 86 GLY H . 27593 1 530 . 1 1 59 59 GLY HA2 H 1 4.117 0.006 . 1 . . . . . 86 GLY HA2 . 27593 1 531 . 1 1 59 59 GLY HA3 H 1 3.879 0.004 . 1 . . . . . 86 GLY HA3 . 27593 1 532 . 1 1 59 59 GLY C C 13 175.829 0.015 . 1 . . . . . 86 GLY C . 27593 1 533 . 1 1 59 59 GLY CA C 13 45.884 0.075 . 1 . . . . . 86 GLY CA . 27593 1 534 . 1 1 59 59 GLY N N 15 104.206 0.070 . 1 . . . . . 86 GLY N . 27593 1 535 . 1 1 60 60 LEU H H 1 7.339 0.004 . 1 . . . . . 87 LEU H . 27593 1 536 . 1 1 60 60 LEU HA H 1 3.885 0.005 . 1 . . . . . 87 LEU HA . 27593 1 537 . 1 1 60 60 LEU HB2 H 1 1.706 0.010 . 1 . . . . . 87 LEU HB2 . 27593 1 538 . 1 1 60 60 LEU HB3 H 1 1.550 0.006 . 1 . . . . . 87 LEU HB3 . 27593 1 539 . 1 1 60 60 LEU HG H 1 1.537 0.010 . 1 . . . . . 87 LEU HG . 27593 1 540 . 1 1 60 60 LEU HD11 H 1 0.694 0.032 . 1 . . . . . 87 LEU HD11 . 27593 1 541 . 1 1 60 60 LEU HD12 H 1 0.694 0.032 . 1 . . . . . 87 LEU HD12 . 27593 1 542 . 1 1 60 60 LEU HD13 H 1 0.694 0.032 . 1 . . . . . 87 LEU HD13 . 27593 1 543 . 1 1 60 60 LEU HD21 H 1 0.709 0.027 . 1 . . . . . 87 LEU HD21 . 27593 1 544 . 1 1 60 60 LEU HD22 H 1 0.709 0.027 . 1 . . . . . 87 LEU HD22 . 27593 1 545 . 1 1 60 60 LEU HD23 H 1 0.709 0.027 . 1 . . . . . 87 LEU HD23 . 27593 1 546 . 1 1 60 60 LEU C C 13 178.125 0.006 . 1 . . . . . 87 LEU C . 27593 1 547 . 1 1 60 60 LEU CA C 13 57.981 0.043 . 1 . . . . . 87 LEU CA . 27593 1 548 . 1 1 60 60 LEU CB C 13 42.120 0.083 . 1 . . . . . 87 LEU CB . 27593 1 549 . 1 1 60 60 LEU CG C 13 26.847 0.089 . 1 . . . . . 87 LEU CG . 27593 1 550 . 1 1 60 60 LEU CD1 C 13 25.407 0.139 . 1 . . . . . 87 LEU CD1 . 27593 1 551 . 1 1 60 60 LEU CD2 C 13 23.499 0.060 . 1 . . . . . 87 LEU CD2 . 27593 1 552 . 1 1 60 60 LEU N N 15 121.918 0.061 . 1 . . . . . 87 LEU N . 27593 1 553 . 1 1 61 61 SER H H 1 7.839 0.005 . 1 . . . . . 88 SER H . 27593 1 554 . 1 1 61 61 SER HA H 1 4.067 0.022 . 1 . . . . . 88 SER HA . 27593 1 555 . 1 1 61 61 SER HB2 H 1 4.048 0.004 . 1 . . . . . 88 SER HB2 . 27593 1 556 . 1 1 61 61 SER C C 13 176.489 0.000 . 1 . . . . . 88 SER C . 27593 1 557 . 1 1 61 61 SER CA C 13 61.861 0.034 . 1 . . . . . 88 SER CA . 27593 1 558 . 1 1 61 61 SER CB C 13 63.254 0.025 . 1 . . . . . 88 SER CB . 27593 1 559 . 1 1 61 61 SER N N 15 110.929 0.050 . 1 . . . . . 88 SER N . 27593 1 560 . 1 1 62 62 GLN H H 1 7.412 0.005 . 1 . . . . . 89 GLN H . 27593 1 561 . 1 1 62 62 GLN HA H 1 4.408 0.003 . 1 . . . . . 89 GLN HA . 27593 1 562 . 1 1 62 62 GLN HB2 H 1 2.333 0.002 . 1 . . . . . 89 GLN HB2 . 27593 1 563 . 1 1 62 62 GLN HB3 H 1 2.075 0.008 . 1 . . . . . 89 GLN HB3 . 27593 1 564 . 1 1 62 62 GLN HG2 H 1 2.461 0.002 . 1 . . . . . 89 GLN HG2 . 27593 1 565 . 1 1 62 62 GLN HG3 H 1 2.432 0.008 . 1 . . . . . 89 GLN HG3 . 27593 1 566 . 1 1 62 62 GLN C C 13 176.446 0.013 . 1 . . . . . 89 GLN C . 27593 1 567 . 1 1 62 62 GLN CA C 13 56.486 0.027 . 1 . . . . . 89 GLN CA . 27593 1 568 . 1 1 62 62 GLN CB C 13 28.950 0.051 . 1 . . . . . 89 GLN CB . 27593 1 569 . 1 1 62 62 GLN CG C 13 34.371 0.082 . 1 . . . . . 89 GLN CG . 27593 1 570 . 1 1 62 62 GLN N N 15 117.166 0.076 . 1 . . . . . 89 GLN N . 27593 1 571 . 1 1 63 63 LYS H H 1 7.678 0.003 . 1 . . . . . 90 LYS H . 27593 1 572 . 1 1 63 63 LYS HA H 1 4.273 0.004 . 1 . . . . . 90 LYS HA . 27593 1 573 . 1 1 63 63 LYS HB2 H 1 2.032 0.010 . 1 . . . . . 90 LYS HB2 . 27593 1 574 . 1 1 63 63 LYS HB3 H 1 1.863 0.010 . 1 . . . . . 90 LYS HB3 . 27593 1 575 . 1 1 63 63 LYS HG2 H 1 1.590 0.007 . 1 . . . . . 90 LYS HG2 . 27593 1 576 . 1 1 63 63 LYS HG3 H 1 1.438 0.002 . 1 . . . . . 90 LYS HG3 . 27593 1 577 . 1 1 63 63 LYS HD2 H 1 1.701 0.002 . 1 . . . . . 90 LYS HD2 . 27593 1 578 . 1 1 63 63 LYS HD3 H 1 1.505 0.003 . 1 . . . . . 90 LYS HD3 . 27593 1 579 . 1 1 63 63 LYS HE2 H 1 3.021 0.002 . 1 . . . . . 90 LYS HE2 . 27593 1 580 . 1 1 63 63 LYS C C 13 175.434 0.018 . 1 . . . . . 90 LYS C . 27593 1 581 . 1 1 63 63 LYS CA C 13 56.412 0.056 . 1 . . . . . 90 LYS CA . 27593 1 582 . 1 1 63 63 LYS CB C 13 32.807 0.057 . 1 . . . . . 90 LYS CB . 27593 1 583 . 1 1 63 63 LYS CG C 13 25.874 0.135 . 1 . . . . . 90 LYS CG . 27593 1 584 . 1 1 63 63 LYS CD C 13 29.256 0.111 . 1 . . . . . 90 LYS CD . 27593 1 585 . 1 1 63 63 LYS CE C 13 42.411 0.059 . 1 . . . . . 90 LYS CE . 27593 1 586 . 1 1 63 63 LYS N N 15 117.871 0.034 . 1 . . . . . 90 LYS N . 27593 1 587 . 1 1 64 64 VAL H H 1 6.832 0.005 . 1 . . . . . 91 VAL H . 27593 1 588 . 1 1 64 64 VAL HA H 1 3.902 0.005 . 1 . . . . . 91 VAL HA . 27593 1 589 . 1 1 64 64 VAL HB H 1 1.958 0.008 . 1 . . . . . 91 VAL HB . 27593 1 590 . 1 1 64 64 VAL HG11 H 1 0.886 0.004 . 1 . . . . . 91 VAL HG11 . 27593 1 591 . 1 1 64 64 VAL HG12 H 1 0.886 0.004 . 1 . . . . . 91 VAL HG12 . 27593 1 592 . 1 1 64 64 VAL HG13 H 1 0.886 0.004 . 1 . . . . . 91 VAL HG13 . 27593 1 593 . 1 1 64 64 VAL HG21 H 1 0.730 0.003 . 1 . . . . . 91 VAL HG21 . 27593 1 594 . 1 1 64 64 VAL HG22 H 1 0.730 0.003 . 1 . . . . . 91 VAL HG22 . 27593 1 595 . 1 1 64 64 VAL HG23 H 1 0.730 0.003 . 1 . . . . . 91 VAL HG23 . 27593 1 596 . 1 1 64 64 VAL C C 13 176.339 0.028 . 1 . . . . . 91 VAL C . 27593 1 597 . 1 1 64 64 VAL CA C 13 62.756 0.040 . 1 . . . . . 91 VAL CA . 27593 1 598 . 1 1 64 64 VAL CB C 13 32.155 0.054 . 1 . . . . . 91 VAL CB . 27593 1 599 . 1 1 64 64 VAL CG1 C 13 22.877 0.073 . 1 . . . . . 91 VAL CG1 . 27593 1 600 . 1 1 64 64 VAL CG2 C 13 21.887 0.112 . 1 . . . . . 91 VAL CG2 . 27593 1 601 . 1 1 64 64 VAL N N 15 119.514 0.038 . 1 . . . . . 91 VAL N . 27593 1 602 . 1 1 65 65 MET H H 1 9.801 0.008 . 1 . . . . . 92 MET H . 27593 1 603 . 1 1 65 65 MET C C 13 178.799 0.000 . 1 . . . . . 92 MET C . 27593 1 604 . 1 1 65 65 MET CA C 13 54.164 0.000 . 1 . . . . . 92 MET CA . 27593 1 605 . 1 1 65 65 MET CB C 13 33.611 0.000 . 1 . . . . . 92 MET CB . 27593 1 606 . 1 1 65 65 MET N N 15 130.367 0.090 . 1 . . . . . 92 MET N . 27593 1 607 . 1 1 66 66 ALA HA H 1 4.019 0.005 . 1 . . . . . 93 ALA HA . 27593 1 608 . 1 1 66 66 ALA HB1 H 1 1.433 0.005 . 1 . . . . . 93 ALA HB1 . 27593 1 609 . 1 1 66 66 ALA HB2 H 1 1.433 0.005 . 1 . . . . . 93 ALA HB2 . 27593 1 610 . 1 1 66 66 ALA HB3 H 1 1.433 0.005 . 1 . . . . . 93 ALA HB3 . 27593 1 611 . 1 1 66 66 ALA C C 13 177.626 0.000 . 1 . . . . . 93 ALA C . 27593 1 612 . 1 1 66 66 ALA CA C 13 55.141 0.023 . 1 . . . . . 93 ALA CA . 27593 1 613 . 1 1 66 66 ALA CB C 13 18.421 0.036 . 1 . . . . . 93 ALA CB . 27593 1 614 . 1 1 67 67 ASP H H 1 8.052 0.003 . 1 . . . . . 94 ASP H . 27593 1 615 . 1 1 67 67 ASP HA H 1 4.481 0.005 . 1 . . . . . 94 ASP HA . 27593 1 616 . 1 1 67 67 ASP HB2 H 1 2.724 0.004 . 1 . . . . . 94 ASP HB2 . 27593 1 617 . 1 1 67 67 ASP HB3 H 1 2.554 0.002 . 1 . . . . . 94 ASP HB3 . 27593 1 618 . 1 1 67 67 ASP C C 13 176.429 0.013 . 1 . . . . . 94 ASP C . 27593 1 619 . 1 1 67 67 ASP CA C 13 52.349 0.059 . 1 . . . . . 94 ASP CA . 27593 1 620 . 1 1 67 67 ASP CB C 13 39.721 0.030 . 1 . . . . . 94 ASP CB . 27593 1 621 . 1 1 67 67 ASP N N 15 111.270 0.048 . 1 . . . . . 94 ASP N . 27593 1 622 . 1 1 68 68 ASP H H 1 7.260 0.005 . 1 . . . . . 95 ASP H . 27593 1 623 . 1 1 68 68 ASP HA H 1 4.369 0.001 . 1 . . . . . 95 ASP HA . 27593 1 624 . 1 1 68 68 ASP HB2 H 1 3.074 0.000 . 1 . . . . . 95 ASP HB2 . 27593 1 625 . 1 1 68 68 ASP HB3 H 1 2.698 0.000 . 1 . . . . . 95 ASP HB3 . 27593 1 626 . 1 1 68 68 ASP C C 13 176.133 0.000 . 1 . . . . . 95 ASP C . 27593 1 627 . 1 1 68 68 ASP CA C 13 53.225 0.011 . 1 . . . . . 95 ASP CA . 27593 1 628 . 1 1 68 68 ASP CB C 13 42.888 0.018 . 1 . . . . . 95 ASP CB . 27593 1 629 . 1 1 68 68 ASP N N 15 124.088 0.041 . 1 . . . . . 95 ASP N . 27593 1 630 . 1 1 69 69 PRO HA H 1 4.111 0.008 . 1 . . . . . 96 PRO HA . 27593 1 631 . 1 1 69 69 PRO HB2 H 1 1.947 0.002 . 1 . . . . . 96 PRO HB2 . 27593 1 632 . 1 1 69 69 PRO HG2 H 1 2.128 0.001 . 1 . . . . . 96 PRO HG2 . 27593 1 633 . 1 1 69 69 PRO C C 13 176.690 0.000 . 1 . . . . . 96 PRO C . 27593 1 634 . 1 1 69 69 PRO CA C 13 63.913 0.177 . 1 . . . . . 96 PRO CA . 27593 1 635 . 1 1 69 69 PRO CB C 13 31.534 0.088 . 1 . . . . . 96 PRO CB . 27593 1 636 . 1 1 69 69 PRO CG C 13 28.278 0.059 . 1 . . . . . 96 PRO CG . 27593 1 637 . 1 1 69 69 PRO CD C 13 50.822 0.016 . 1 . . . . . 96 PRO CD . 27593 1 638 . 1 1 70 70 PHE H H 1 9.196 0.003 . 1 . . . . . 97 PHE H . 27593 1 639 . 1 1 70 70 PHE HA H 1 4.623 0.004 . 1 . . . . . 97 PHE HA . 27593 1 640 . 1 1 70 70 PHE HB2 H 1 2.927 0.003 . 1 . . . . . 97 PHE HB2 . 27593 1 641 . 1 1 70 70 PHE HB3 H 1 2.710 0.009 . 1 . . . . . 97 PHE HB3 . 27593 1 642 . 1 1 70 70 PHE C C 13 176.425 0.022 . 1 . . . . . 97 PHE C . 27593 1 643 . 1 1 70 70 PHE CA C 13 60.063 0.101 . 1 . . . . . 97 PHE CA . 27593 1 644 . 1 1 70 70 PHE CB C 13 43.331 0.115 . 1 . . . . . 97 PHE CB . 27593 1 645 . 1 1 70 70 PHE N N 15 114.174 0.065 . 1 . . . . . 97 PHE N . 27593 1 646 . 1 1 71 71 ILE H H 1 8.556 0.014 . 1 . . . . . 98 ILE H . 27593 1 647 . 1 1 71 71 ILE HA H 1 4.052 0.007 . 1 . . . . . 98 ILE HA . 27593 1 648 . 1 1 71 71 ILE HB H 1 1.821 0.004 . 1 . . . . . 98 ILE HB . 27593 1 649 . 1 1 71 71 ILE HG12 H 1 0.525 0.004 . 1 . . . . . 98 ILE HG12 . 27593 1 650 . 1 1 71 71 ILE HG21 H 1 0.704 0.001 . 1 . . . . . 98 ILE HG21 . 27593 1 651 . 1 1 71 71 ILE HG22 H 1 0.704 0.001 . 1 . . . . . 98 ILE HG22 . 27593 1 652 . 1 1 71 71 ILE HG23 H 1 0.704 0.001 . 1 . . . . . 98 ILE HG23 . 27593 1 653 . 1 1 71 71 ILE HD11 H 1 0.783 0.002 . 1 . . . . . 98 ILE HD11 . 27593 1 654 . 1 1 71 71 ILE HD12 H 1 0.783 0.002 . 1 . . . . . 98 ILE HD12 . 27593 1 655 . 1 1 71 71 ILE HD13 H 1 0.783 0.002 . 1 . . . . . 98 ILE HD13 . 27593 1 656 . 1 1 71 71 ILE C C 13 174.574 0.002 . 1 . . . . . 98 ILE C . 27593 1 657 . 1 1 71 71 ILE CA C 13 62.644 0.048 . 1 . . . . . 98 ILE CA . 27593 1 658 . 1 1 71 71 ILE CB C 13 38.681 0.042 . 1 . . . . . 98 ILE CB . 27593 1 659 . 1 1 71 71 ILE CG1 C 13 27.659 0.106 . 1 . . . . . 98 ILE CG1 . 27593 1 660 . 1 1 71 71 ILE CG2 C 13 18.653 0.102 . 1 . . . . . 98 ILE CG2 . 27593 1 661 . 1 1 71 71 ILE CD1 C 13 13.634 0.045 . 1 . . . . . 98 ILE CD1 . 27593 1 662 . 1 1 71 71 ILE N N 15 122.472 0.064 . 1 . . . . . 98 ILE N . 27593 1 663 . 1 1 72 72 ARG H H 1 9.208 0.003 . 1 . . . . . 99 ARG H . 27593 1 664 . 1 1 72 72 ARG HA H 1 4.059 0.002 . 1 . . . . . 99 ARG HA . 27593 1 665 . 1 1 72 72 ARG HB2 H 1 1.556 0.003 . 1 . . . . . 99 ARG HB2 . 27593 1 666 . 1 1 72 72 ARG HB3 H 1 1.393 0.006 . 1 . . . . . 99 ARG HB3 . 27593 1 667 . 1 1 72 72 ARG HG2 H 1 1.570 0.004 . 1 . . . . . 99 ARG HG2 . 27593 1 668 . 1 1 72 72 ARG HG3 H 1 1.399 0.001 . 1 . . . . . 99 ARG HG3 . 27593 1 669 . 1 1 72 72 ARG HD2 H 1 3.189 0.003 . 1 . . . . . 99 ARG HD2 . 27593 1 670 . 1 1 72 72 ARG C C 13 175.427 0.013 . 1 . . . . . 99 ARG C . 27593 1 671 . 1 1 72 72 ARG CA C 13 57.784 0.038 . 1 . . . . . 99 ARG CA . 27593 1 672 . 1 1 72 72 ARG CB C 13 31.322 0.099 . 1 . . . . . 99 ARG CB . 27593 1 673 . 1 1 72 72 ARG CG C 13 27.330 0.146 . 1 . . . . . 99 ARG CG . 27593 1 674 . 1 1 72 72 ARG CD C 13 43.283 0.074 . 1 . . . . . 99 ARG CD . 27593 1 675 . 1 1 72 72 ARG N N 15 127.152 0.108 . 1 . . . . . 99 ARG N . 27593 1 676 . 1 1 73 73 SER H H 1 7.446 0.005 . 1 . . . . . 100 SER H . 27593 1 677 . 1 1 73 73 SER HA H 1 4.542 0.003 . 1 . . . . . 100 SER HA . 27593 1 678 . 1 1 73 73 SER HB2 H 1 3.926 0.003 . 1 . . . . . 100 SER HB2 . 27593 1 679 . 1 1 73 73 SER HB3 H 1 3.833 0.002 . 1 . . . . . 100 SER HB3 . 27593 1 680 . 1 1 73 73 SER C C 13 172.126 0.017 . 1 . . . . . 100 SER C . 27593 1 681 . 1 1 73 73 SER CA C 13 57.439 0.032 . 1 . . . . . 100 SER CA . 27593 1 682 . 1 1 73 73 SER CB C 13 64.528 0.031 . 1 . . . . . 100 SER CB . 27593 1 683 . 1 1 73 73 SER N N 15 109.094 0.073 . 1 . . . . . 100 SER N . 27593 1 684 . 1 1 74 74 ILE H H 1 8.517 0.003 . 1 . . . . . 101 ILE H . 27593 1 685 . 1 1 74 74 ILE HA H 1 5.003 0.008 . 1 . . . . . 101 ILE HA . 27593 1 686 . 1 1 74 74 ILE HB H 1 1.231 0.012 . 1 . . . . . 101 ILE HB . 27593 1 687 . 1 1 74 74 ILE HG12 H 1 1.539 0.004 . 1 . . . . . 101 ILE HG12 . 27593 1 688 . 1 1 74 74 ILE HG13 H 1 0.904 0.010 . 1 . . . . . 101 ILE HG13 . 27593 1 689 . 1 1 74 74 ILE HG21 H 1 0.630 0.001 . 1 . . . . . 101 ILE HG21 . 27593 1 690 . 1 1 74 74 ILE HG22 H 1 0.630 0.001 . 1 . . . . . 101 ILE HG22 . 27593 1 691 . 1 1 74 74 ILE HG23 H 1 0.630 0.001 . 1 . . . . . 101 ILE HG23 . 27593 1 692 . 1 1 74 74 ILE HD11 H 1 0.699 0.003 . 1 . . . . . 101 ILE HD11 . 27593 1 693 . 1 1 74 74 ILE HD12 H 1 0.699 0.003 . 1 . . . . . 101 ILE HD12 . 27593 1 694 . 1 1 74 74 ILE HD13 H 1 0.699 0.003 . 1 . . . . . 101 ILE HD13 . 27593 1 695 . 1 1 74 74 ILE C C 13 173.955 0.024 . 1 . . . . . 101 ILE C . 27593 1 696 . 1 1 74 74 ILE CA C 13 60.579 0.058 . 1 . . . . . 101 ILE CA . 27593 1 697 . 1 1 74 74 ILE CB C 13 42.616 0.057 . 1 . . . . . 101 ILE CB . 27593 1 698 . 1 1 74 74 ILE CG1 C 13 28.694 0.062 . 1 . . . . . 101 ILE CG1 . 27593 1 699 . 1 1 74 74 ILE CG2 C 13 16.855 0.032 . 1 . . . . . 101 ILE CG2 . 27593 1 700 . 1 1 74 74 ILE CD1 C 13 15.151 0.051 . 1 . . . . . 101 ILE CD1 . 27593 1 701 . 1 1 74 74 ILE N N 15 120.359 0.056 . 1 . . . . . 101 ILE N . 27593 1 702 . 1 1 75 75 ARG H H 1 8.612 0.004 . 1 . . . . . 102 ARG H . 27593 1 703 . 1 1 75 75 ARG HA H 1 4.645 0.011 . 1 . . . . . 102 ARG HA . 27593 1 704 . 1 1 75 75 ARG HB2 H 1 1.761 0.001 . 1 . . . . . 102 ARG HB2 . 27593 1 705 . 1 1 75 75 ARG HB3 H 1 1.682 0.010 . 1 . . . . . 102 ARG HB3 . 27593 1 706 . 1 1 75 75 ARG HG2 H 1 1.575 0.000 . 1 . . . . . 102 ARG HG2 . 27593 1 707 . 1 1 75 75 ARG C C 13 173.850 0.017 . 1 . . . . . 102 ARG C . 27593 1 708 . 1 1 75 75 ARG CA C 13 54.832 0.047 . 1 . . . . . 102 ARG CA . 27593 1 709 . 1 1 75 75 ARG CB C 13 33.438 0.051 . 1 . . . . . 102 ARG CB . 27593 1 710 . 1 1 75 75 ARG CG C 13 27.091 0.000 . 1 . . . . . 102 ARG CG . 27593 1 711 . 1 1 75 75 ARG N N 15 125.713 0.068 . 1 . . . . . 102 ARG N . 27593 1 712 . 1 1 76 76 ALA H H 1 8.722 0.003 . 1 . . . . . 103 ALA H . 27593 1 713 . 1 1 76 76 ALA HA H 1 5.488 0.004 . 1 . . . . . 103 ALA HA . 27593 1 714 . 1 1 76 76 ALA HB1 H 1 1.042 0.001 . 1 . . . . . 103 ALA HB1 . 27593 1 715 . 1 1 76 76 ALA HB2 H 1 1.042 0.001 . 1 . . . . . 103 ALA HB2 . 27593 1 716 . 1 1 76 76 ALA HB3 H 1 1.042 0.001 . 1 . . . . . 103 ALA HB3 . 27593 1 717 . 1 1 76 76 ALA C C 13 176.121 0.007 . 1 . . . . . 103 ALA C . 27593 1 718 . 1 1 76 76 ALA CA C 13 50.014 0.036 . 1 . . . . . 103 ALA CA . 27593 1 719 . 1 1 76 76 ALA CB C 13 22.171 0.036 . 1 . . . . . 103 ALA CB . 27593 1 720 . 1 1 76 76 ALA N N 15 125.783 0.059 . 1 . . . . . 103 ALA N . 27593 1 721 . 1 1 77 77 GLY H H 1 8.482 0.006 . 1 . . . . . 104 GLY H . 27593 1 722 . 1 1 77 77 GLY HA2 H 1 4.361 0.004 . 1 . . . . . 104 GLY HA2 . 27593 1 723 . 1 1 77 77 GLY C C 13 171.401 0.000 . 1 . . . . . 104 GLY C . 27593 1 724 . 1 1 77 77 GLY CA C 13 44.734 0.046 . 1 . . . . . 104 GLY CA . 27593 1 725 . 1 1 77 77 GLY N N 15 107.589 0.040 . 1 . . . . . 104 GLY N . 27593 1 726 . 1 1 79 79 ASN HA H 1 4.592 0.006 . 1 . . . . . 106 ASN HA . 27593 1 727 . 1 1 79 79 ASN HB2 H 1 2.681 0.015 . 1 . . . . . 106 ASN HB2 . 27593 1 728 . 1 1 79 79 ASN HB3 H 1 2.645 0.012 . 1 . . . . . 106 ASN HB3 . 27593 1 729 . 1 1 79 79 ASN C C 13 175.384 0.000 . 1 . . . . . 106 ASN C . 27593 1 730 . 1 1 79 79 ASN CA C 13 56.549 0.016 . 1 . . . . . 106 ASN CA . 27593 1 731 . 1 1 79 79 ASN CB C 13 40.564 0.024 . 1 . . . . . 106 ASN CB . 27593 1 732 . 1 1 80 80 THR H H 1 8.227 0.003 . 1 . . . . . 107 THR H . 27593 1 733 . 1 1 80 80 THR HA H 1 4.875 0.009 . 1 . . . . . 107 THR HA . 27593 1 734 . 1 1 80 80 THR HB H 1 4.660 0.000 . 1 . . . . . 107 THR HB . 27593 1 735 . 1 1 80 80 THR HG21 H 1 1.204 0.001 . 1 . . . . . 107 THR HG21 . 27593 1 736 . 1 1 80 80 THR HG22 H 1 1.204 0.001 . 1 . . . . . 107 THR HG22 . 27593 1 737 . 1 1 80 80 THR HG23 H 1 1.204 0.001 . 1 . . . . . 107 THR HG23 . 27593 1 738 . 1 1 80 80 THR C C 13 173.394 0.000 . 1 . . . . . 107 THR C . 27593 1 739 . 1 1 80 80 THR CA C 13 59.596 0.075 . 1 . . . . . 107 THR CA . 27593 1 740 . 1 1 80 80 THR CB C 13 69.302 0.063 . 1 . . . . . 107 THR CB . 27593 1 741 . 1 1 80 80 THR CG2 C 13 21.413 0.051 . 1 . . . . . 107 THR CG2 . 27593 1 742 . 1 1 80 80 THR N N 15 109.589 0.045 . 1 . . . . . 107 THR N . 27593 1 743 . 1 1 82 82 THR HA H 1 4.683 0.004 . 1 . . . . . 109 THR HA . 27593 1 744 . 1 1 82 82 THR HB H 1 4.640 0.006 . 1 . . . . . 109 THR HB . 27593 1 745 . 1 1 82 82 THR HG21 H 1 1.143 0.002 . 1 . . . . . 109 THR HG21 . 27593 1 746 . 1 1 82 82 THR HG22 H 1 1.143 0.002 . 1 . . . . . 109 THR HG22 . 27593 1 747 . 1 1 82 82 THR HG23 H 1 1.143 0.002 . 1 . . . . . 109 THR HG23 . 27593 1 748 . 1 1 82 82 THR C C 13 173.921 0.000 . 1 . . . . . 109 THR C . 27593 1 749 . 1 1 82 82 THR CA C 13 60.613 0.017 . 1 . . . . . 109 THR CA . 27593 1 750 . 1 1 82 82 THR CB C 13 70.357 0.151 . 1 . . . . . 109 THR CB . 27593 1 751 . 1 1 82 82 THR CG2 C 13 21.352 0.041 . 1 . . . . . 109 THR CG2 . 27593 1 752 . 1 1 83 83 THR H H 1 7.521 0.004 . 1 . . . . . 110 THR H . 27593 1 753 . 1 1 83 83 THR HA H 1 5.382 0.005 . 1 . . . . . 110 THR HA . 27593 1 754 . 1 1 83 83 THR HB H 1 4.115 0.005 . 1 . . . . . 110 THR HB . 27593 1 755 . 1 1 83 83 THR HG21 H 1 1.101 0.001 . 1 . . . . . 110 THR HG21 . 27593 1 756 . 1 1 83 83 THR HG22 H 1 1.101 0.001 . 1 . . . . . 110 THR HG22 . 27593 1 757 . 1 1 83 83 THR HG23 H 1 1.101 0.001 . 1 . . . . . 110 THR HG23 . 27593 1 758 . 1 1 83 83 THR C C 13 173.336 0.010 . 1 . . . . . 110 THR C . 27593 1 759 . 1 1 83 83 THR CA C 13 61.201 0.045 . 1 . . . . . 110 THR CA . 27593 1 760 . 1 1 83 83 THR CB C 13 72.164 0.038 . 1 . . . . . 110 THR CB . 27593 1 761 . 1 1 83 83 THR CG2 C 13 22.094 0.071 . 1 . . . . . 110 THR CG2 . 27593 1 762 . 1 1 83 83 THR N N 15 114.804 0.048 . 1 . . . . . 110 THR N . 27593 1 763 . 1 1 84 84 VAL H H 1 8.745 0.004 . 1 . . . . . 111 VAL H . 27593 1 764 . 1 1 84 84 VAL HA H 1 4.601 0.004 . 1 . . . . . 111 VAL HA . 27593 1 765 . 1 1 84 84 VAL HB H 1 1.842 0.002 . 1 . . . . . 111 VAL HB . 27593 1 766 . 1 1 84 84 VAL HG11 H 1 0.845 0.002 . 1 . . . . . 111 VAL HG11 . 27593 1 767 . 1 1 84 84 VAL HG12 H 1 0.845 0.002 . 1 . . . . . 111 VAL HG12 . 27593 1 768 . 1 1 84 84 VAL HG13 H 1 0.845 0.002 . 1 . . . . . 111 VAL HG13 . 27593 1 769 . 1 1 84 84 VAL HG21 H 1 0.721 0.001 . 1 . . . . . 111 VAL HG21 . 27593 1 770 . 1 1 84 84 VAL HG22 H 1 0.721 0.001 . 1 . . . . . 111 VAL HG22 . 27593 1 771 . 1 1 84 84 VAL HG23 H 1 0.721 0.001 . 1 . . . . . 111 VAL HG23 . 27593 1 772 . 1 1 84 84 VAL C C 13 173.165 0.024 . 1 . . . . . 111 VAL C . 27593 1 773 . 1 1 84 84 VAL CA C 13 60.773 0.067 . 1 . . . . . 111 VAL CA . 27593 1 774 . 1 1 84 84 VAL CB C 13 34.700 0.050 . 1 . . . . . 111 VAL CB . 27593 1 775 . 1 1 84 84 VAL CG1 C 13 22.637 0.031 . 1 . . . . . 111 VAL CG1 . 27593 1 776 . 1 1 84 84 VAL CG2 C 13 21.066 0.020 . 1 . . . . . 111 VAL CG2 . 27593 1 777 . 1 1 84 84 VAL N N 15 123.883 0.052 . 1 . . . . . 111 VAL N . 27593 1 778 . 1 1 85 85 ARG H H 1 8.969 0.003 . 1 . . . . . 112 ARG H . 27593 1 779 . 1 1 85 85 ARG HA H 1 5.522 0.007 . 1 . . . . . 112 ARG HA . 27593 1 780 . 1 1 85 85 ARG HB2 H 1 1.772 0.005 . 1 . . . . . 112 ARG HB2 . 27593 1 781 . 1 1 85 85 ARG HB3 H 1 1.638 0.012 . 1 . . . . . 112 ARG HB3 . 27593 1 782 . 1 1 85 85 ARG HD2 H 1 3.197 0.000 . 1 . . . . . 112 ARG HD2 . 27593 1 783 . 1 1 85 85 ARG C C 13 175.294 0.031 . 1 . . . . . 112 ARG C . 27593 1 784 . 1 1 85 85 ARG CA C 13 54.700 0.053 . 1 . . . . . 112 ARG CA . 27593 1 785 . 1 1 85 85 ARG CB C 13 34.270 0.032 . 1 . . . . . 112 ARG CB . 27593 1 786 . 1 1 85 85 ARG CG C 13 26.090 0.000 . 1 . . . . . 112 ARG CG . 27593 1 787 . 1 1 85 85 ARG CD C 13 43.340 0.000 . 1 . . . . . 112 ARG CD . 27593 1 788 . 1 1 85 85 ARG N N 15 127.415 0.067 . 1 . . . . . 112 ARG N . 27593 1 789 . 1 1 86 86 LEU H H 1 9.688 0.004 . 1 . . . . . 113 LEU H . 27593 1 790 . 1 1 86 86 LEU HA H 1 5.091 0.004 . 1 . . . . . 113 LEU HA . 27593 1 791 . 1 1 86 86 LEU HB2 H 1 1.478 0.016 . 1 . . . . . 113 LEU HB2 . 27593 1 792 . 1 1 86 86 LEU HB3 H 1 1.414 0.000 . 1 . . . . . 113 LEU HB3 . 27593 1 793 . 1 1 86 86 LEU HG H 1 1.459 0.003 . 1 . . . . . 113 LEU HG . 27593 1 794 . 1 1 86 86 LEU HD11 H 1 0.586 0.000 . 1 . . . . . 113 LEU HD11 . 27593 1 795 . 1 1 86 86 LEU HD12 H 1 0.586 0.000 . 1 . . . . . 113 LEU HD12 . 27593 1 796 . 1 1 86 86 LEU HD13 H 1 0.586 0.000 . 1 . . . . . 113 LEU HD13 . 27593 1 797 . 1 1 86 86 LEU C C 13 174.912 0.008 . 1 . . . . . 113 LEU C . 27593 1 798 . 1 1 86 86 LEU CA C 13 53.491 0.062 . 1 . . . . . 113 LEU CA . 27593 1 799 . 1 1 86 86 LEU CB C 13 44.327 0.032 . 1 . . . . . 113 LEU CB . 27593 1 800 . 1 1 86 86 LEU CG C 13 27.481 0.126 . 1 . . . . . 113 LEU CG . 27593 1 801 . 1 1 86 86 LEU CD1 C 13 25.039 0.053 . 1 . . . . . 113 LEU CD1 . 27593 1 802 . 1 1 86 86 LEU N N 15 130.404 0.123 . 1 . . . . . 113 LEU N . 27593 1 803 . 1 1 87 87 VAL H H 1 8.891 0.002 . 1 . . . . . 114 VAL H . 27593 1 804 . 1 1 87 87 VAL HA H 1 4.585 0.002 . 1 . . . . . 114 VAL HA . 27593 1 805 . 1 1 87 87 VAL HB H 1 1.887 0.002 . 1 . . . . . 114 VAL HB . 27593 1 806 . 1 1 87 87 VAL HG11 H 1 0.856 0.002 . 1 . . . . . 114 VAL HG11 . 27593 1 807 . 1 1 87 87 VAL HG12 H 1 0.856 0.002 . 1 . . . . . 114 VAL HG12 . 27593 1 808 . 1 1 87 87 VAL HG13 H 1 0.856 0.002 . 1 . . . . . 114 VAL HG13 . 27593 1 809 . 1 1 87 87 VAL HG21 H 1 0.757 0.005 . 1 . . . . . 114 VAL HG21 . 27593 1 810 . 1 1 87 87 VAL HG22 H 1 0.757 0.005 . 1 . . . . . 114 VAL HG22 . 27593 1 811 . 1 1 87 87 VAL HG23 H 1 0.757 0.005 . 1 . . . . . 114 VAL HG23 . 27593 1 812 . 1 1 87 87 VAL C C 13 175.254 0.017 . 1 . . . . . 114 VAL C . 27593 1 813 . 1 1 87 87 VAL CA C 13 61.973 0.051 . 1 . . . . . 114 VAL CA . 27593 1 814 . 1 1 87 87 VAL CB C 13 33.620 0.087 . 1 . . . . . 114 VAL CB . 27593 1 815 . 1 1 87 87 VAL CG1 C 13 21.272 0.071 . 1 . . . . . 114 VAL CG1 . 27593 1 816 . 1 1 87 87 VAL CG2 C 13 21.445 0.002 . 1 . . . . . 114 VAL CG2 . 27593 1 817 . 1 1 87 87 VAL N N 15 122.377 0.043 . 1 . . . . . 114 VAL N . 27593 1 818 . 1 1 88 88 ILE H H 1 9.429 0.005 . 1 . . . . . 115 ILE H . 27593 1 819 . 1 1 88 88 ILE HA H 1 4.569 0.011 . 1 . . . . . 115 ILE HA . 27593 1 820 . 1 1 88 88 ILE HB H 1 2.009 0.003 . 1 . . . . . 115 ILE HB . 27593 1 821 . 1 1 88 88 ILE HG12 H 1 1.527 0.002 . 1 . . . . . 115 ILE HG12 . 27593 1 822 . 1 1 88 88 ILE HG21 H 1 0.813 0.001 . 1 . . . . . 115 ILE HG21 . 27593 1 823 . 1 1 88 88 ILE HG22 H 1 0.813 0.001 . 1 . . . . . 115 ILE HG22 . 27593 1 824 . 1 1 88 88 ILE HG23 H 1 0.813 0.001 . 1 . . . . . 115 ILE HG23 . 27593 1 825 . 1 1 88 88 ILE HD11 H 1 0.707 0.001 . 1 . . . . . 115 ILE HD11 . 27593 1 826 . 1 1 88 88 ILE HD12 H 1 0.707 0.001 . 1 . . . . . 115 ILE HD12 . 27593 1 827 . 1 1 88 88 ILE HD13 H 1 0.707 0.001 . 1 . . . . . 115 ILE HD13 . 27593 1 828 . 1 1 88 88 ILE C C 13 175.248 0.014 . 1 . . . . . 115 ILE C . 27593 1 829 . 1 1 88 88 ILE CA C 13 60.266 0.081 . 1 . . . . . 115 ILE CA . 27593 1 830 . 1 1 88 88 ILE CB C 13 39.540 0.072 . 1 . . . . . 115 ILE CB . 27593 1 831 . 1 1 88 88 ILE CG1 C 13 27.622 0.125 . 1 . . . . . 115 ILE CG1 . 27593 1 832 . 1 1 88 88 ILE CG2 C 13 19.032 0.036 . 1 . . . . . 115 ILE CG2 . 27593 1 833 . 1 1 88 88 ILE CD1 C 13 14.038 0.026 . 1 . . . . . 115 ILE CD1 . 27593 1 834 . 1 1 88 88 ILE N N 15 129.526 0.077 . 1 . . . . . 115 ILE N . 27593 1 835 . 1 1 89 89 ASP H H 1 8.695 0.002 . 1 . . . . . 116 ASP H . 27593 1 836 . 1 1 89 89 ASP HA H 1 4.883 0.005 . 1 . . . . . 116 ASP HA . 27593 1 837 . 1 1 89 89 ASP HB2 H 1 2.670 0.001 . 1 . . . . . 116 ASP HB2 . 27593 1 838 . 1 1 89 89 ASP HB3 H 1 2.571 0.003 . 1 . . . . . 116 ASP HB3 . 27593 1 839 . 1 1 89 89 ASP C C 13 176.290 0.001 . 1 . . . . . 116 ASP C . 27593 1 840 . 1 1 89 89 ASP CA C 13 54.973 0.031 . 1 . . . . . 116 ASP CA . 27593 1 841 . 1 1 89 89 ASP CB C 13 41.494 0.016 . 1 . . . . . 116 ASP CB . 27593 1 842 . 1 1 89 89 ASP N N 15 128.285 0.064 . 1 . . . . . 116 ASP N . 27593 1 843 . 1 1 90 90 LEU H H 1 8.010 0.003 . 1 . . . . . 117 LEU H . 27593 1 844 . 1 1 90 90 LEU HA H 1 5.223 0.008 . 1 . . . . . 117 LEU HA . 27593 1 845 . 1 1 90 90 LEU HB2 H 1 1.811 0.003 . 1 . . . . . 117 LEU HB2 . 27593 1 846 . 1 1 90 90 LEU HB3 H 1 1.650 0.003 . 1 . . . . . 117 LEU HB3 . 27593 1 847 . 1 1 90 90 LEU HG H 1 0.900 0.011 . 1 . . . . . 117 LEU HG . 27593 1 848 . 1 1 90 90 LEU HD11 H 1 0.930 0.003 . 1 . . . . . 117 LEU HD11 . 27593 1 849 . 1 1 90 90 LEU HD12 H 1 0.930 0.003 . 1 . . . . . 117 LEU HD12 . 27593 1 850 . 1 1 90 90 LEU HD13 H 1 0.930 0.003 . 1 . . . . . 117 LEU HD13 . 27593 1 851 . 1 1 90 90 LEU C C 13 178.402 0.012 . 1 . . . . . 117 LEU C . 27593 1 852 . 1 1 90 90 LEU CA C 13 54.301 0.088 . 1 . . . . . 117 LEU CA . 27593 1 853 . 1 1 90 90 LEU CB C 13 43.726 0.079 . 1 . . . . . 117 LEU CB . 27593 1 854 . 1 1 90 90 LEU CG C 13 25.957 0.068 . 1 . . . . . 117 LEU CG . 27593 1 855 . 1 1 90 90 LEU CD1 C 13 23.419 0.101 . 1 . . . . . 117 LEU CD1 . 27593 1 856 . 1 1 90 90 LEU N N 15 124.853 0.087 . 1 . . . . . 117 LEU N . 27593 1 857 . 1 1 91 91 LYS H H 1 8.640 0.008 . 1 . . . . . 118 LYS H . 27593 1 858 . 1 1 91 91 LYS HA H 1 4.119 0.004 . 1 . . . . . 118 LYS HA . 27593 1 859 . 1 1 91 91 LYS HB2 H 1 1.765 0.003 . 1 . . . . . 118 LYS HB2 . 27593 1 860 . 1 1 91 91 LYS HB3 H 1 1.466 0.005 . 1 . . . . . 118 LYS HB3 . 27593 1 861 . 1 1 91 91 LYS HG2 H 1 1.214 0.002 . 1 . . . . . 118 LYS HG2 . 27593 1 862 . 1 1 91 91 LYS HG3 H 1 1.078 0.003 . 1 . . . . . 118 LYS HG3 . 27593 1 863 . 1 1 91 91 LYS HD2 H 1 1.444 0.005 . 1 . . . . . 118 LYS HD2 . 27593 1 864 . 1 1 91 91 LYS HE2 H 1 2.790 0.003 . 1 . . . . . 118 LYS HE2 . 27593 1 865 . 1 1 91 91 LYS HE3 H 1 2.690 0.000 . 1 . . . . . 118 LYS HE3 . 27593 1 866 . 1 1 91 91 LYS C C 13 175.457 0.025 . 1 . . . . . 118 LYS C . 27593 1 867 . 1 1 91 91 LYS CA C 13 58.047 0.058 . 1 . . . . . 118 LYS CA . 27593 1 868 . 1 1 91 91 LYS CB C 13 34.847 0.132 . 1 . . . . . 118 LYS CB . 27593 1 869 . 1 1 91 91 LYS CG C 13 27.654 0.060 . 1 . . . . . 118 LYS CG . 27593 1 870 . 1 1 91 91 LYS CD C 13 28.900 0.135 . 1 . . . . . 118 LYS CD . 27593 1 871 . 1 1 91 91 LYS CE C 13 42.564 0.090 . 1 . . . . . 118 LYS CE . 27593 1 872 . 1 1 91 91 LYS N N 15 119.606 0.081 . 1 . . . . . 118 LYS N . 27593 1 873 . 1 1 92 92 GLN H H 1 7.920 0.007 . 1 . . . . . 119 GLN H . 27593 1 874 . 1 1 92 92 GLN HA H 1 5.042 0.007 . 1 . . . . . 119 GLN HA . 27593 1 875 . 1 1 92 92 GLN HB2 H 1 2.210 0.003 . 1 . . . . . 119 GLN HB2 . 27593 1 876 . 1 1 92 92 GLN HB3 H 1 1.908 0.000 . 1 . . . . . 119 GLN HB3 . 27593 1 877 . 1 1 92 92 GLN HG2 H 1 1.999 0.006 . 1 . . . . . 119 GLN HG2 . 27593 1 878 . 1 1 92 92 GLN C C 13 172.504 0.000 . 1 . . . . . 119 GLN C . 27593 1 879 . 1 1 92 92 GLN CA C 13 53.043 0.049 . 1 . . . . . 119 GLN CA . 27593 1 880 . 1 1 92 92 GLN CB C 13 29.994 0.127 . 1 . . . . . 119 GLN CB . 27593 1 881 . 1 1 92 92 GLN CG C 13 32.567 0.092 . 1 . . . . . 119 GLN CG . 27593 1 882 . 1 1 92 92 GLN N N 15 113.577 0.068 . 1 . . . . . 119 GLN N . 27593 1 883 . 1 1 93 93 PRO HA H 1 4.491 0.007 . 1 . . . . . 120 PRO HA . 27593 1 884 . 1 1 93 93 PRO HB2 H 1 2.215 0.004 . 1 . . . . . 120 PRO HB2 . 27593 1 885 . 1 1 93 93 PRO HB3 H 1 1.781 0.003 . 1 . . . . . 120 PRO HB3 . 27593 1 886 . 1 1 93 93 PRO HG2 H 1 2.192 0.000 . 1 . . . . . 120 PRO HG2 . 27593 1 887 . 1 1 93 93 PRO C C 13 177.323 0.000 . 1 . . . . . 120 PRO C . 27593 1 888 . 1 1 93 93 PRO CA C 13 64.451 0.038 . 1 . . . . . 120 PRO CA . 27593 1 889 . 1 1 93 93 PRO CB C 13 31.365 0.104 . 1 . . . . . 120 PRO CB . 27593 1 890 . 1 1 93 93 PRO CG C 13 28.051 0.050 . 1 . . . . . 120 PRO CG . 27593 1 891 . 1 1 93 93 PRO CD C 13 50.895 0.119 . 1 . . . . . 120 PRO CD . 27593 1 892 . 1 1 94 94 THR H H 1 8.941 0.010 . 1 . . . . . 121 THR H . 27593 1 893 . 1 1 94 94 THR HA H 1 5.378 0.010 . 1 . . . . . 121 THR HA . 27593 1 894 . 1 1 94 94 THR HB H 1 3.975 0.005 . 1 . . . . . 121 THR HB . 27593 1 895 . 1 1 94 94 THR HG21 H 1 1.219 0.000 . 1 . . . . . 121 THR HG1 . 27593 1 896 . 1 1 94 94 THR HG22 H 1 1.219 0.000 . 1 . . . . . 121 THR HG1 . 27593 1 897 . 1 1 94 94 THR HG23 H 1 1.219 0.000 . 1 . . . . . 121 THR HG1 . 27593 1 898 . 1 1 94 94 THR C C 13 173.747 0.011 . 1 . . . . . 121 THR C . 27593 1 899 . 1 1 94 94 THR CA C 13 62.541 0.056 . 1 . . . . . 121 THR CA . 27593 1 900 . 1 1 94 94 THR CB C 13 73.392 0.058 . 1 . . . . . 121 THR CB . 27593 1 901 . 1 1 94 94 THR CG2 C 13 21.866 0.047 . 1 . . . . . 121 THR CG2 . 27593 1 902 . 1 1 94 94 THR N N 15 123.668 0.166 . 1 . . . . . 121 THR N . 27593 1 903 . 1 1 95 95 HIS H H 1 9.360 0.007 . 1 . . . . . 122 HIS H . 27593 1 904 . 1 1 95 95 HIS HA H 1 4.951 0.009 . 1 . . . . . 122 HIS HA . 27593 1 905 . 1 1 95 95 HIS HB2 H 1 2.980 0.006 . 1 . . . . . 122 HIS HB2 . 27593 1 906 . 1 1 95 95 HIS HB3 H 1 2.859 0.006 . 1 . . . . . 122 HIS HB3 . 27593 1 907 . 1 1 95 95 HIS C C 13 173.022 0.017 . 1 . . . . . 122 HIS C . 27593 1 908 . 1 1 95 95 HIS CA C 13 55.147 0.076 . 1 . . . . . 122 HIS CA . 27593 1 909 . 1 1 95 95 HIS CB C 13 32.279 0.132 . 1 . . . . . 122 HIS CB . 27593 1 910 . 1 1 95 95 HIS N N 15 127.910 0.108 . 1 . . . . . 122 HIS N . 27593 1 911 . 1 1 96 96 ALA H H 1 8.539 0.013 . 1 . . . . . 123 ALA H . 27593 1 912 . 1 1 96 96 ALA HA H 1 5.396 0.005 . 1 . . . . . 123 ALA HA . 27593 1 913 . 1 1 96 96 ALA HB1 H 1 1.118 0.007 . 1 . . . . . 123 ALA HB1 . 27593 1 914 . 1 1 96 96 ALA HB2 H 1 1.118 0.007 . 1 . . . . . 123 ALA HB2 . 27593 1 915 . 1 1 96 96 ALA HB3 H 1 1.118 0.007 . 1 . . . . . 123 ALA HB3 . 27593 1 916 . 1 1 96 96 ALA C C 13 176.911 0.001 . 1 . . . . . 123 ALA C . 27593 1 917 . 1 1 96 96 ALA CA C 13 50.224 0.032 . 1 . . . . . 123 ALA CA . 27593 1 918 . 1 1 96 96 ALA CB C 13 21.896 0.088 . 1 . . . . . 123 ALA CB . 27593 1 919 . 1 1 96 96 ALA N N 15 128.491 0.065 . 1 . . . . . 123 ALA N . 27593 1 920 . 1 1 97 97 GLN H H 1 9.298 0.004 . 1 . . . . . 124 GLN H . 27593 1 921 . 1 1 97 97 GLN HA H 1 4.632 0.004 . 1 . . . . . 124 GLN HA . 27593 1 922 . 1 1 97 97 GLN HB2 H 1 2.218 0.004 . 1 . . . . . 124 GLN HB2 . 27593 1 923 . 1 1 97 97 GLN HB3 H 1 2.041 0.002 . 1 . . . . . 124 GLN HB3 . 27593 1 924 . 1 1 97 97 GLN HG2 H 1 2.277 0.032 . 1 . . . . . 124 GLN HG2 . 27593 1 925 . 1 1 97 97 GLN C C 13 173.486 0.006 . 1 . . . . . 124 GLN C . 27593 1 926 . 1 1 97 97 GLN CA C 13 54.986 0.053 . 1 . . . . . 124 GLN CA . 27593 1 927 . 1 1 97 97 GLN CB C 13 31.340 0.091 . 1 . . . . . 124 GLN CB . 27593 1 928 . 1 1 97 97 GLN CG C 13 33.678 0.024 . 1 . . . . . 124 GLN CG . 27593 1 929 . 1 1 97 97 GLN N N 15 123.200 0.094 . 1 . . . . . 124 GLN N . 27593 1 930 . 1 1 98 98 VAL H H 1 8.239 0.003 . 1 . . . . . 125 VAL H . 27593 1 931 . 1 1 98 98 VAL HA H 1 5.107 0.007 . 1 . . . . . 125 VAL HA . 27593 1 932 . 1 1 98 98 VAL HB H 1 1.362 0.002 . 1 . . . . . 125 VAL HB . 27593 1 933 . 1 1 98 98 VAL HG11 H 1 0.409 0.004 . 1 . . . . . 125 VAL HG11 . 27593 1 934 . 1 1 98 98 VAL HG12 H 1 0.409 0.004 . 1 . . . . . 125 VAL HG12 . 27593 1 935 . 1 1 98 98 VAL HG13 H 1 0.409 0.004 . 1 . . . . . 125 VAL HG13 . 27593 1 936 . 1 1 98 98 VAL HG21 H 1 0.260 0.002 . 1 . . . . . 125 VAL HG21 . 27593 1 937 . 1 1 98 98 VAL HG22 H 1 0.260 0.002 . 1 . . . . . 125 VAL HG22 . 27593 1 938 . 1 1 98 98 VAL HG23 H 1 0.260 0.002 . 1 . . . . . 125 VAL HG23 . 27593 1 939 . 1 1 98 98 VAL C C 13 175.456 0.028 . 1 . . . . . 125 VAL C . 27593 1 940 . 1 1 98 98 VAL CA C 13 60.506 0.045 . 1 . . . . . 125 VAL CA . 27593 1 941 . 1 1 98 98 VAL CB C 13 33.760 0.032 . 1 . . . . . 125 VAL CB . 27593 1 942 . 1 1 98 98 VAL CG1 C 13 21.501 0.061 . 1 . . . . . 125 VAL CG1 . 27593 1 943 . 1 1 98 98 VAL CG2 C 13 20.544 0.020 . 1 . . . . . 125 VAL CG2 . 27593 1 944 . 1 1 98 98 VAL N N 15 124.234 0.092 . 1 . . . . . 125 VAL N . 27593 1 945 . 1 1 99 99 PHE H H 1 8.958 0.007 . 1 . . . . . 126 PHE H . 27593 1 946 . 1 1 99 99 PHE HA H 1 4.939 0.009 . 1 . . . . . 126 PHE HA . 27593 1 947 . 1 1 99 99 PHE HB2 H 1 3.229 0.006 . 1 . . . . . 126 PHE HB2 . 27593 1 948 . 1 1 99 99 PHE HB3 H 1 3.015 0.009 . 1 . . . . . 126 PHE HB3 . 27593 1 949 . 1 1 99 99 PHE C C 13 170.952 0.013 . 1 . . . . . 126 PHE C . 27593 1 950 . 1 1 99 99 PHE CA C 13 56.048 0.034 . 1 . . . . . 126 PHE CA . 27593 1 951 . 1 1 99 99 PHE CB C 13 39.988 0.048 . 1 . . . . . 126 PHE CB . 27593 1 952 . 1 1 99 99 PHE N N 15 124.798 0.095 . 1 . . . . . 126 PHE N . 27593 1 953 . 1 1 100 100 ALA H H 1 8.496 0.008 . 1 . . . . . 127 ALA H . 27593 1 954 . 1 1 100 100 ALA HA H 1 5.409 0.005 . 1 . . . . . 127 ALA HA . 27593 1 955 . 1 1 100 100 ALA HB1 H 1 1.546 0.013 . 1 . . . . . 127 ALA HB1 . 27593 1 956 . 1 1 100 100 ALA HB2 H 1 1.546 0.013 . 1 . . . . . 127 ALA HB2 . 27593 1 957 . 1 1 100 100 ALA HB3 H 1 1.546 0.013 . 1 . . . . . 127 ALA HB3 . 27593 1 958 . 1 1 100 100 ALA C C 13 177.502 0.016 . 1 . . . . . 127 ALA C . 27593 1 959 . 1 1 100 100 ALA CA C 13 50.191 0.062 . 1 . . . . . 127 ALA CA . 27593 1 960 . 1 1 100 100 ALA CB C 13 22.282 0.161 . 1 . . . . . 127 ALA CB . 27593 1 961 . 1 1 100 100 ALA N N 15 121.479 0.040 . 1 . . . . . 127 ALA N . 27593 1 962 . 1 1 101 101 LEU H H 1 9.339 0.008 . 1 . . . . . 128 LEU H . 27593 1 963 . 1 1 101 101 LEU HA H 1 5.135 0.015 . 1 . . . . . 128 LEU HA . 27593 1 964 . 1 1 101 101 LEU HB2 H 1 1.579 0.004 . 1 . . . . . 128 LEU HB2 . 27593 1 965 . 1 1 101 101 LEU HG H 1 1.574 0.003 . 1 . . . . . 128 LEU HG . 27593 1 966 . 1 1 101 101 LEU HD11 H 1 0.766 0.001 . 1 . . . . . 128 LEU HD11 . 27593 1 967 . 1 1 101 101 LEU HD12 H 1 0.766 0.001 . 1 . . . . . 128 LEU HD12 . 27593 1 968 . 1 1 101 101 LEU HD13 H 1 0.766 0.001 . 1 . . . . . 128 LEU HD13 . 27593 1 969 . 1 1 101 101 LEU HD21 H 1 1.049 0.005 . 1 . . . . . 128 LEU HD21 . 27593 1 970 . 1 1 101 101 LEU HD22 H 1 1.049 0.005 . 1 . . . . . 128 LEU HD22 . 27593 1 971 . 1 1 101 101 LEU HD23 H 1 1.049 0.005 . 1 . . . . . 128 LEU HD23 . 27593 1 972 . 1 1 101 101 LEU C C 13 175.492 0.000 . 1 . . . . . 128 LEU C . 27593 1 973 . 1 1 101 101 LEU CA C 13 51.318 0.038 . 1 . . . . . 128 LEU CA . 27593 1 974 . 1 1 101 101 LEU CB C 13 44.633 0.048 . 1 . . . . . 128 LEU CB . 27593 1 975 . 1 1 101 101 LEU CG C 13 26.378 0.179 . 1 . . . . . 128 LEU CG . 27593 1 976 . 1 1 101 101 LEU CD1 C 13 25.567 0.102 . 1 . . . . . 128 LEU CD1 . 27593 1 977 . 1 1 101 101 LEU CD2 C 13 23.183 0.046 . 1 . . . . . 128 LEU CD2 . 27593 1 978 . 1 1 101 101 LEU N N 15 121.414 0.059 . 1 . . . . . 128 LEU N . 27593 1 979 . 1 1 103 103 PRO HA H 1 4.128 0.003 . 1 . . . . . 130 PRO HA . 27593 1 980 . 1 1 103 103 PRO HB2 H 1 2.246 0.023 . 1 . . . . . 130 PRO HB2 . 27593 1 981 . 1 1 103 103 PRO HB3 H 1 1.950 0.000 . 1 . . . . . 130 PRO HB3 . 27593 1 982 . 1 1 103 103 PRO HG2 H 1 2.131 0.002 . 1 . . . . . 130 PRO HG2 . 27593 1 983 . 1 1 103 103 PRO HG3 H 1 1.874 0.002 . 1 . . . . . 130 PRO HG3 . 27593 1 984 . 1 1 103 103 PRO C C 13 176.058 0.000 . 1 . . . . . 130 PRO C . 27593 1 985 . 1 1 103 103 PRO CA C 13 64.456 0.035 . 1 . . . . . 130 PRO CA . 27593 1 986 . 1 1 103 103 PRO CB C 13 31.732 0.141 . 1 . . . . . 130 PRO CB . 27593 1 987 . 1 1 103 103 PRO CG C 13 28.269 0.067 . 1 . . . . . 130 PRO CG . 27593 1 988 . 1 1 104 104 VAL H H 1 7.672 0.008 . 1 . . . . . 131 VAL H . 27593 1 989 . 1 1 104 104 VAL HA H 1 4.410 0.002 . 1 . . . . . 131 VAL HA . 27593 1 990 . 1 1 104 104 VAL HB H 1 2.239 0.005 . 1 . . . . . 131 VAL HB . 27593 1 991 . 1 1 104 104 VAL HG11 H 1 0.977 0.002 . 1 . . . . . 131 VAL HG11 . 27593 1 992 . 1 1 104 104 VAL HG12 H 1 0.977 0.002 . 1 . . . . . 131 VAL HG12 . 27593 1 993 . 1 1 104 104 VAL HG13 H 1 0.977 0.002 . 1 . . . . . 131 VAL HG13 . 27593 1 994 . 1 1 104 104 VAL HG21 H 1 0.940 0.005 . 1 . . . . . 131 VAL HG21 . 27593 1 995 . 1 1 104 104 VAL HG22 H 1 0.940 0.005 . 1 . . . . . 131 VAL HG22 . 27593 1 996 . 1 1 104 104 VAL HG23 H 1 0.940 0.005 . 1 . . . . . 131 VAL HG23 . 27593 1 997 . 1 1 104 104 VAL C C 13 175.493 0.000 . 1 . . . . . 131 VAL C . 27593 1 998 . 1 1 104 104 VAL CA C 13 61.162 0.031 . 1 . . . . . 131 VAL CA . 27593 1 999 . 1 1 104 104 VAL CB C 13 34.184 0.058 . 1 . . . . . 131 VAL CB . 27593 1 1000 . 1 1 104 104 VAL CG1 C 13 20.642 0.164 . 1 . . . . . 131 VAL CG1 . 27593 1 1001 . 1 1 104 104 VAL CG2 C 13 20.535 0.077 . 1 . . . . . 131 VAL CG2 . 27593 1 1002 . 1 1 104 104 VAL N N 15 122.836 0.118 . 1 . . . . . 131 VAL N . 27593 1 1003 . 1 1 106 106 GLY HA2 H 1 3.793 0.035 . 1 . . . . . 133 GLY HA2 . 27593 1 1004 . 1 1 106 106 GLY HA3 H 1 3.746 0.000 . 1 . . . . . 133 GLY HA3 . 27593 1 1005 . 1 1 106 106 GLY C C 13 174.391 0.000 . 1 . . . . . 133 GLY C . 27593 1 1006 . 1 1 106 106 GLY CA C 13 44.930 0.032 . 1 . . . . . 133 GLY CA . 27593 1 1007 . 1 1 107 107 PHE H H 1 8.187 0.004 . 1 . . . . . 134 PHE H . 27593 1 1008 . 1 1 107 107 PHE HA H 1 4.669 0.004 . 1 . . . . . 134 PHE HA . 27593 1 1009 . 1 1 107 107 PHE HB2 H 1 3.264 0.009 . 1 . . . . . 134 PHE HB2 . 27593 1 1010 . 1 1 107 107 PHE HB3 H 1 3.062 0.004 . 1 . . . . . 134 PHE HB3 . 27593 1 1011 . 1 1 107 107 PHE C C 13 177.157 0.008 . 1 . . . . . 134 PHE C . 27593 1 1012 . 1 1 107 107 PHE CA C 13 57.918 0.030 . 1 . . . . . 134 PHE CA . 27593 1 1013 . 1 1 107 107 PHE CB C 13 41.075 0.013 . 1 . . . . . 134 PHE CB . 27593 1 1014 . 1 1 107 107 PHE N N 15 119.929 0.048 . 1 . . . . . 134 PHE N . 27593 1 1015 . 1 1 108 108 LYS H H 1 8.885 0.007 . 1 . . . . . 135 LYS H . 27593 1 1016 . 1 1 108 108 LYS HA H 1 4.409 0.003 . 1 . . . . . 135 LYS HA . 27593 1 1017 . 1 1 108 108 LYS HB2 H 1 1.793 0.002 . 1 . . . . . 135 LYS HB2 . 27593 1 1018 . 1 1 108 108 LYS HG2 H 1 1.609 0.002 . 1 . . . . . 135 LYS HG2 . 27593 1 1019 . 1 1 108 108 LYS HG3 H 1 1.441 0.001 . 1 . . . . . 135 LYS HG3 . 27593 1 1020 . 1 1 108 108 LYS HD2 H 1 1.625 0.002 . 1 . . . . . 135 LYS HD2 . 27593 1 1021 . 1 1 108 108 LYS HE2 H 1 3.021 0.002 . 1 . . . . . 135 LYS HE2 . 27593 1 1022 . 1 1 108 108 LYS C C 13 175.521 0.005 . 1 . . . . . 135 LYS C . 27593 1 1023 . 1 1 108 108 LYS CA C 13 55.269 0.075 . 1 . . . . . 135 LYS CA . 27593 1 1024 . 1 1 108 108 LYS CB C 13 32.213 0.041 . 1 . . . . . 135 LYS CB . 27593 1 1025 . 1 1 108 108 LYS CG C 13 25.973 0.028 . 1 . . . . . 135 LYS CG . 27593 1 1026 . 1 1 108 108 LYS CD C 13 29.081 0.105 . 1 . . . . . 135 LYS CD . 27593 1 1027 . 1 1 108 108 LYS CE C 13 42.418 0.102 . 1 . . . . . 135 LYS CE . 27593 1 1028 . 1 1 108 108 LYS N N 15 121.185 0.048 . 1 . . . . . 135 LYS N . 27593 1 1029 . 1 1 109 109 ASP H H 1 8.018 0.006 . 1 . . . . . 136 ASP H . 27593 1 1030 . 1 1 109 109 ASP HA H 1 4.164 0.017 . 1 . . . . . 136 ASP HA . 27593 1 1031 . 1 1 109 109 ASP HB2 H 1 2.338 0.003 . 1 . . . . . 136 ASP HB2 . 27593 1 1032 . 1 1 109 109 ASP HB3 H 1 2.283 0.003 . 1 . . . . . 136 ASP HB3 . 27593 1 1033 . 1 1 109 109 ASP C C 13 174.991 0.009 . 1 . . . . . 136 ASP C . 27593 1 1034 . 1 1 109 109 ASP CA C 13 57.798 0.045 . 1 . . . . . 136 ASP CA . 27593 1 1035 . 1 1 109 109 ASP CB C 13 42.109 0.049 . 1 . . . . . 136 ASP CB . 27593 1 1036 . 1 1 109 109 ASP N N 15 120.966 0.131 . 1 . . . . . 136 ASP N . 27593 1 1037 . 1 1 110 110 ARG H H 1 8.265 0.006 . 1 . . . . . 137 ARG H . 27593 1 1038 . 1 1 110 110 ARG HA H 1 5.377 0.008 . 1 . . . . . 137 ARG HA . 27593 1 1039 . 1 1 110 110 ARG HB2 H 1 1.307 0.000 . 1 . . . . . 137 ARG HB2 . 27593 1 1040 . 1 1 110 110 ARG C C 13 174.270 0.032 . 1 . . . . . 137 ARG C . 27593 1 1041 . 1 1 110 110 ARG CA C 13 54.815 0.030 . 1 . . . . . 137 ARG CA . 27593 1 1042 . 1 1 110 110 ARG CB C 13 36.290 0.076 . 1 . . . . . 137 ARG CB . 27593 1 1043 . 1 1 110 110 ARG CG C 13 27.114 0.000 . 1 . . . . . 137 ARG CG . 27593 1 1044 . 1 1 110 110 ARG CD C 13 44.010 0.000 . 1 . . . . . 137 ARG CD . 27593 1 1045 . 1 1 110 110 ARG N N 15 117.819 0.057 . 1 . . . . . 137 ARG N . 27593 1 1046 . 1 1 111 111 LEU H H 1 8.824 0.011 . 1 . . . . . 138 LEU H . 27593 1 1047 . 1 1 111 111 LEU HA H 1 4.502 0.007 . 1 . . . . . 138 LEU HA . 27593 1 1048 . 1 1 111 111 LEU HB2 H 1 1.583 0.003 . 1 . . . . . 138 LEU HB2 . 27593 1 1049 . 1 1 111 111 LEU HB3 H 1 1.211 0.001 . 1 . . . . . 138 LEU HB3 . 27593 1 1050 . 1 1 111 111 LEU C C 13 173.713 0.009 . 1 . . . . . 138 LEU C . 27593 1 1051 . 1 1 111 111 LEU CA C 13 54.298 0.062 . 1 . . . . . 138 LEU CA . 27593 1 1052 . 1 1 111 111 LEU CB C 13 44.700 0.019 . 1 . . . . . 138 LEU CB . 27593 1 1053 . 1 1 111 111 LEU N N 15 124.737 0.048 . 1 . . . . . 138 LEU N . 27593 1 1054 . 1 1 112 112 VAL H H 1 8.931 0.009 . 1 . . . . . 139 VAL H . 27593 1 1055 . 1 1 112 112 VAL HA H 1 4.335 0.008 . 1 . . . . . 139 VAL HA . 27593 1 1056 . 1 1 112 112 VAL HB H 1 0.348 0.003 . 1 . . . . . 139 VAL HB . 27593 1 1057 . 1 1 112 112 VAL HG11 H 1 0.412 0.000 . 1 . . . . . 139 VAL HG11 . 27593 1 1058 . 1 1 112 112 VAL HG12 H 1 0.412 0.000 . 1 . . . . . 139 VAL HG12 . 27593 1 1059 . 1 1 112 112 VAL HG13 H 1 0.412 0.000 . 1 . . . . . 139 VAL HG13 . 27593 1 1060 . 1 1 112 112 VAL HG21 H 1 0.348 0.001 . 1 . . . . . 139 VAL HG21 . 27593 1 1061 . 1 1 112 112 VAL HG22 H 1 0.348 0.001 . 1 . . . . . 139 VAL HG22 . 27593 1 1062 . 1 1 112 112 VAL HG23 H 1 0.348 0.001 . 1 . . . . . 139 VAL HG23 . 27593 1 1063 . 1 1 112 112 VAL C C 13 173.205 0.017 . 1 . . . . . 139 VAL C . 27593 1 1064 . 1 1 112 112 VAL CA C 13 61.054 0.040 . 1 . . . . . 139 VAL CA . 27593 1 1065 . 1 1 112 112 VAL CB C 13 32.278 0.026 . 1 . . . . . 139 VAL CB . 27593 1 1066 . 1 1 112 112 VAL CG1 C 13 22.850 0.022 . 1 . . . . . 139 VAL CG1 . 27593 1 1067 . 1 1 112 112 VAL CG2 C 13 20.968 0.032 . 1 . . . . . 139 VAL CG2 . 27593 1 1068 . 1 1 112 112 VAL N N 15 128.337 0.131 . 1 . . . . . 139 VAL N . 27593 1 1069 . 1 1 113 113 VAL H H 1 8.812 0.003 . 1 . . . . . 140 VAL H . 27593 1 1070 . 1 1 113 113 VAL HA H 1 4.322 0.004 . 1 . . . . . 140 VAL HA . 27593 1 1071 . 1 1 113 113 VAL HB H 1 1.972 0.004 . 1 . . . . . 140 VAL HB . 27593 1 1072 . 1 1 113 113 VAL HG11 H 1 0.505 0.001 . 1 . . . . . 140 VAL HG11 . 27593 1 1073 . 1 1 113 113 VAL HG12 H 1 0.505 0.001 . 1 . . . . . 140 VAL HG12 . 27593 1 1074 . 1 1 113 113 VAL HG13 H 1 0.505 0.001 . 1 . . . . . 140 VAL HG13 . 27593 1 1075 . 1 1 113 113 VAL HG21 H 1 0.532 0.001 . 1 . . . . . 140 VAL HG21 . 27593 1 1076 . 1 1 113 113 VAL HG22 H 1 0.532 0.001 . 1 . . . . . 140 VAL HG22 . 27593 1 1077 . 1 1 113 113 VAL HG23 H 1 0.532 0.001 . 1 . . . . . 140 VAL HG23 . 27593 1 1078 . 1 1 113 113 VAL C C 13 173.477 0.004 . 1 . . . . . 140 VAL C . 27593 1 1079 . 1 1 113 113 VAL CA C 13 60.514 0.083 . 1 . . . . . 140 VAL CA . 27593 1 1080 . 1 1 113 113 VAL CB C 13 33.545 0.038 . 1 . . . . . 140 VAL CB . 27593 1 1081 . 1 1 113 113 VAL CG1 C 13 20.874 0.020 . 1 . . . . . 140 VAL CG1 . 27593 1 1082 . 1 1 113 113 VAL CG2 C 13 19.171 0.023 . 1 . . . . . 140 VAL CG2 . 27593 1 1083 . 1 1 113 113 VAL N N 15 124.838 0.060 . 1 . . . . . 140 VAL N . 27593 1 1084 . 1 1 114 114 ASP H H 1 9.021 0.011 . 1 . . . . . 141 ASP H . 27593 1 1085 . 1 1 114 114 ASP HA H 1 5.521 0.010 . 1 . . . . . 141 ASP HA . 27593 1 1086 . 1 1 114 114 ASP HB2 H 1 2.623 0.005 . 1 . . . . . 141 ASP HB2 . 27593 1 1087 . 1 1 114 114 ASP HB3 H 1 2.143 0.005 . 1 . . . . . 141 ASP HB3 . 27593 1 1088 . 1 1 114 114 ASP C C 13 175.414 0.015 . 1 . . . . . 141 ASP C . 27593 1 1089 . 1 1 114 114 ASP CA C 13 53.141 0.027 . 1 . . . . . 141 ASP CA . 27593 1 1090 . 1 1 114 114 ASP CB C 13 43.425 0.018 . 1 . . . . . 141 ASP CB . 27593 1 1091 . 1 1 114 114 ASP N N 15 127.251 0.100 . 1 . . . . . 141 ASP N . 27593 1 1092 . 1 1 115 115 LEU H H 1 8.776 0.010 . 1 . . . . . 142 LEU H . 27593 1 1093 . 1 1 115 115 LEU HA H 1 4.306 0.006 . 1 . . . . . 142 LEU HA . 27593 1 1094 . 1 1 115 115 LEU HB2 H 1 1.473 0.006 . 1 . . . . . 142 LEU HB2 . 27593 1 1095 . 1 1 115 115 LEU HB3 H 1 0.854 0.007 . 1 . . . . . 142 LEU HB3 . 27593 1 1096 . 1 1 115 115 LEU HG H 1 0.691 0.002 . 1 . . . . . 142 LEU HG . 27593 1 1097 . 1 1 115 115 LEU HD11 H 1 0.630 0.004 . 1 . . . . . 142 LEU HD11 . 27593 1 1098 . 1 1 115 115 LEU HD12 H 1 0.630 0.004 . 1 . . . . . 142 LEU HD12 . 27593 1 1099 . 1 1 115 115 LEU HD13 H 1 0.630 0.004 . 1 . . . . . 142 LEU HD13 . 27593 1 1100 . 1 1 115 115 LEU C C 13 172.483 0.005 . 1 . . . . . 142 LEU C . 27593 1 1101 . 1 1 115 115 LEU CA C 13 53.532 0.074 . 1 . . . . . 142 LEU CA . 27593 1 1102 . 1 1 115 115 LEU CB C 13 41.584 0.048 . 1 . . . . . 142 LEU CB . 27593 1 1103 . 1 1 115 115 LEU CG C 13 27.052 0.139 . 1 . . . . . 142 LEU CG . 27593 1 1104 . 1 1 115 115 LEU CD1 C 13 24.094 0.047 . 1 . . . . . 142 LEU CD1 . 27593 1 1105 . 1 1 115 115 LEU N N 15 122.683 0.127 . 1 . . . . . 142 LEU N . 27593 1 1106 . 1 1 116 116 TYR H H 1 7.895 0.029 . 1 . . . . . 143 TYR H . 27593 1 1107 . 1 1 116 116 TYR C C 13 174.442 0.000 . 1 . . . . . 143 TYR C . 27593 1 1108 . 1 1 116 116 TYR CA C 13 55.611 0.000 . 1 . . . . . 143 TYR CA . 27593 1 1109 . 1 1 116 116 TYR N N 15 118.607 0.091 . 1 . . . . . 143 TYR N . 27593 1 1110 . 1 1 117 117 PRO HA H 1 4.920 0.009 . 1 . . . . . 144 PRO HA . 27593 1 1111 . 1 1 117 117 PRO HB2 H 1 2.610 0.004 . 1 . . . . . 144 PRO HB2 . 27593 1 1112 . 1 1 117 117 PRO HB3 H 1 2.151 0.011 . 1 . . . . . 144 PRO HB3 . 27593 1 1113 . 1 1 117 117 PRO HG2 H 1 2.412 0.005 . 1 . . . . . 144 PRO HG2 . 27593 1 1114 . 1 1 117 117 PRO HD2 H 1 4.088 0.020 . 1 . . . . . 144 PRO HD2 . 27593 1 1115 . 1 1 117 117 PRO HD3 H 1 4.073 0.007 . 1 . . . . . 144 PRO HD3 . 27593 1 1116 . 1 1 117 117 PRO C C 13 176.934 0.000 . 1 . . . . . 144 PRO C . 27593 1 1117 . 1 1 117 117 PRO CA C 13 63.165 0.064 . 1 . . . . . 144 PRO CA . 27593 1 1118 . 1 1 117 117 PRO CB C 13 32.032 0.056 . 1 . . . . . 144 PRO CB . 27593 1 1119 . 1 1 117 117 PRO CG C 13 27.781 0.061 . 1 . . . . . 144 PRO CG . 27593 1 1120 . 1 1 117 117 PRO CD C 13 50.613 0.064 . 1 . . . . . 144 PRO CD . 27593 1 1121 . 1 1 118 118 HIS H H 1 8.046 0.004 . 1 . . . . . 145 HIS H . 27593 1 1122 . 1 1 118 118 HIS HA H 1 4.359 0.006 . 1 . . . . . 145 HIS HA . 27593 1 1123 . 1 1 118 118 HIS HB2 H 1 3.775 0.000 . 1 . . . . . 145 HIS HB2 . 27593 1 1124 . 1 1 118 118 HIS HB3 H 1 2.888 0.000 . 1 . . . . . 145 HIS HB3 . 27593 1 1125 . 1 1 118 118 HIS C C 13 176.024 0.012 . 1 . . . . . 145 HIS C . 27593 1 1126 . 1 1 118 118 HIS CA C 13 57.735 0.029 . 1 . . . . . 145 HIS CA . 27593 1 1127 . 1 1 118 118 HIS CB C 13 31.780 0.047 . 1 . . . . . 145 HIS CB . 27593 1 1128 . 1 1 118 118 HIS N N 15 120.898 0.183 . 1 . . . . . 145 HIS N . 27593 1 1129 . 1 1 119 119 GLY H H 1 8.401 0.001 . 1 . . . . . 146 GLY H . 27593 1 1130 . 1 1 119 119 GLY HA2 H 1 3.913 0.006 . 1 . . . . . 146 GLY HA2 . 27593 1 1131 . 1 1 119 119 GLY HA3 H 1 3.842 0.013 . 1 . . . . . 146 GLY HA3 . 27593 1 1132 . 1 1 119 119 GLY C C 13 174.090 0.000 . 1 . . . . . 146 GLY C . 27593 1 1133 . 1 1 119 119 GLY CA C 13 45.413 0.023 . 1 . . . . . 146 GLY CA . 27593 1 1134 . 1 1 119 119 GLY N N 15 111.346 0.064 . 1 . . . . . 146 GLY N . 27593 1 1135 . 1 1 120 120 MET H H 1 8.114 0.002 . 1 . . . . . 147 MET H . 27593 1 1136 . 1 1 120 120 MET HA H 1 4.462 0.006 . 1 . . . . . 147 MET HA . 27593 1 1137 . 1 1 120 120 MET HB2 H 1 2.101 0.002 . 1 . . . . . 147 MET HB2 . 27593 1 1138 . 1 1 120 120 MET HB3 H 1 2.014 0.006 . 1 . . . . . 147 MET HB3 . 27593 1 1139 . 1 1 120 120 MET C C 13 175.660 0.024 . 1 . . . . . 147 MET C . 27593 1 1140 . 1 1 120 120 MET CA C 13 55.541 0.053 . 1 . . . . . 147 MET CA . 27593 1 1141 . 1 1 120 120 MET CB C 13 33.012 0.107 . 1 . . . . . 147 MET CB . 27593 1 1142 . 1 1 120 120 MET N N 15 119.822 0.086 . 1 . . . . . 147 MET N . 27593 1 1143 . 1 1 121 121 ASP H H 1 8.386 0.002 . 1 . . . . . 148 ASP H . 27593 1 1144 . 1 1 121 121 ASP HA H 1 4.490 0.014 . 1 . . . . . 148 ASP HA . 27593 1 1145 . 1 1 121 121 ASP HB2 H 1 2.603 0.025 . 1 . . . . . 148 ASP HB2 . 27593 1 1146 . 1 1 121 121 ASP HB3 H 1 2.532 0.025 . 1 . . . . . 148 ASP HB3 . 27593 1 1147 . 1 1 121 121 ASP C C 13 175.678 0.013 . 1 . . . . . 148 ASP C . 27593 1 1148 . 1 1 121 121 ASP CA C 13 54.223 0.027 . 1 . . . . . 148 ASP CA . 27593 1 1149 . 1 1 121 121 ASP CB C 13 41.225 0.068 . 1 . . . . . 148 ASP CB . 27593 1 1150 . 1 1 121 121 ASP N N 15 121.627 0.056 . 1 . . . . . 148 ASP N . 27593 1 1151 . 1 1 122 122 ALA H H 1 8.080 0.011 . 1 . . . . . 149 ALA H . 27593 1 1152 . 1 1 122 122 ALA HA H 1 4.187 0.010 . 1 . . . . . 149 ALA HA . 27593 1 1153 . 1 1 122 122 ALA HB1 H 1 1.275 0.009 . 1 . . . . . 149 ALA HB1 . 27593 1 1154 . 1 1 122 122 ALA HB2 H 1 1.275 0.009 . 1 . . . . . 149 ALA HB2 . 27593 1 1155 . 1 1 122 122 ALA HB3 H 1 1.275 0.009 . 1 . . . . . 149 ALA HB3 . 27593 1 1156 . 1 1 122 122 ALA C C 13 177.250 0.000 . 1 . . . . . 149 ALA C . 27593 1 1157 . 1 1 122 122 ALA CA C 13 52.437 0.042 . 1 . . . . . 149 ALA CA . 27593 1 1158 . 1 1 122 122 ALA CB C 13 19.526 0.073 . 1 . . . . . 149 ALA CB . 27593 1 1159 . 1 1 122 122 ALA N N 15 124.214 0.096 . 1 . . . . . 149 ALA N . 27593 1 1160 . 1 1 123 123 ASP H H 1 8.197 0.006 . 1 . . . . . 150 ASP H . 27593 1 1161 . 1 1 123 123 ASP HA H 1 4.569 0.013 . 1 . . . . . 150 ASP HA . 27593 1 1162 . 1 1 123 123 ASP HB2 H 1 2.624 0.036 . 1 . . . . . 150 ASP HB2 . 27593 1 1163 . 1 1 123 123 ASP HB3 H 1 2.540 0.024 . 1 . . . . . 150 ASP HB3 . 27593 1 1164 . 1 1 123 123 ASP C C 13 175.726 0.001 . 1 . . . . . 150 ASP C . 27593 1 1165 . 1 1 123 123 ASP CA C 13 54.273 0.030 . 1 . . . . . 150 ASP CA . 27593 1 1166 . 1 1 123 123 ASP CB C 13 41.386 0.023 . 1 . . . . . 150 ASP CB . 27593 1 1167 . 1 1 123 123 ASP N N 15 119.545 0.060 . 1 . . . . . 150 ASP N . 27593 1 1168 . 1 1 124 124 ASP H H 1 8.113 0.012 . 1 . . . . . 151 ASP H . 27593 1 1169 . 1 1 124 124 ASP HA H 1 4.821 0.002 . 1 . . . . . 151 ASP HA . 27593 1 1170 . 1 1 124 124 ASP HB2 H 1 2.687 0.000 . 1 . . . . . 151 ASP HB2 . 27593 1 1171 . 1 1 124 124 ASP HB3 H 1 2.467 0.000 . 1 . . . . . 151 ASP HB3 . 27593 1 1172 . 1 1 124 124 ASP C C 13 174.278 0.000 . 1 . . . . . 151 ASP C . 27593 1 1173 . 1 1 124 124 ASP CA C 13 52.732 0.036 . 1 . . . . . 151 ASP CA . 27593 1 1174 . 1 1 124 124 ASP CB C 13 40.949 0.011 . 1 . . . . . 151 ASP CB . 27593 1 1175 . 1 1 124 124 ASP N N 15 121.697 0.132 . 1 . . . . . 151 ASP N . 27593 1 1176 . 1 1 125 125 PRO HA H 1 4.430 0.000 . 1 . . . . . 152 PRO HA . 27593 1 1177 . 1 1 125 125 PRO HB2 H 1 2.282 0.003 . 1 . . . . . 152 PRO HB2 . 27593 1 1178 . 1 1 125 125 PRO HB3 H 1 1.988 0.002 . 1 . . . . . 152 PRO HB3 . 27593 1 1179 . 1 1 125 125 PRO C C 13 176.232 0.000 . 1 . . . . . 152 PRO C . 27593 1 1180 . 1 1 125 125 PRO CA C 13 63.420 0.045 . 1 . . . . . 152 PRO CA . 27593 1 1181 . 1 1 125 125 PRO CB C 13 31.957 0.005 . 1 . . . . . 152 PRO CB . 27593 1 1182 . 1 1 126 126 MET H H 1 7.966 0.019 . 1 . . . . . 153 MET H . 27593 1 1183 . 1 1 126 126 MET HA H 1 4.221 0.020 . 1 . . . . . 153 MET HA . 27593 1 1184 . 1 1 126 126 MET HB2 H 1 2.082 0.000 . 1 . . . . . 153 MET HB2 . 27593 1 1185 . 1 1 126 126 MET HB3 H 1 1.965 0.010 . 1 . . . . . 153 MET HB3 . 27593 1 1186 . 1 1 126 126 MET HG2 H 1 2.549 0.000 . 1 . . . . . 153 MET HG2 . 27593 1 1187 . 1 1 126 126 MET C C 13 178.715 0.000 . 1 . . . . . 153 MET C . 27593 1 1188 . 1 1 126 126 MET CA C 13 57.328 0.007 . 1 . . . . . 153 MET CA . 27593 1 1189 . 1 1 126 126 MET CB C 13 34.043 0.042 . 1 . . . . . 153 MET CB . 27593 1 1190 . 1 1 126 126 MET N N 15 125.780 0.146 . 1 . . . . . 153 MET N . 27593 1 1191 . 1 1 127 127 MET HA H 1 4.515 0.000 . 1 . . . . . 154 MET HA . 27593 1 1192 . 1 1 127 127 MET HB2 H 1 2.623 0.000 . 1 . . . . . 154 MET HB2 . 27593 1 1193 . 1 1 127 127 MET HB3 H 1 2.514 0.000 . 1 . . . . . 154 MET HB3 . 27593 1 1194 . 1 1 127 127 MET C C 13 175.379 0.000 . 1 . . . . . 154 MET C . 27593 1 1195 . 1 1 127 127 MET CA C 13 55.684 0.000 . 1 . . . . . 154 MET CA . 27593 1 1196 . 1 1 127 127 MET CB C 13 30.934 0.000 . 1 . . . . . 154 MET CB . 27593 1 1197 . 1 1 128 128 ALA H H 1 7.930 0.003 . 1 . . . . . 155 ALA H . 27593 1 1198 . 1 1 128 128 ALA HA H 1 4.291 0.047 . 1 . . . . . 155 ALA HA . 27593 1 1199 . 1 1 128 128 ALA HB1 H 1 1.351 0.000 . 1 . . . . . 155 ALA HB1 . 27593 1 1200 . 1 1 128 128 ALA HB2 H 1 1.351 0.000 . 1 . . . . . 155 ALA HB2 . 27593 1 1201 . 1 1 128 128 ALA HB3 H 1 1.351 0.000 . 1 . . . . . 155 ALA HB3 . 27593 1 1202 . 1 1 128 128 ALA C C 13 176.295 0.000 . 1 . . . . . 155 ALA C . 27593 1 1203 . 1 1 128 128 ALA CA C 13 52.355 0.013 . 1 . . . . . 155 ALA CA . 27593 1 1204 . 1 1 128 128 ALA CB C 13 19.296 0.020 . 1 . . . . . 155 ALA CB . 27593 1 1205 . 1 1 128 128 ALA N N 15 125.056 0.105 . 1 . . . . . 155 ALA N . 27593 1 1206 . 1 1 129 129 LEU H H 1 7.656 0.005 . 1 . . . . . 156 LEU H . 27593 1 1207 . 1 1 129 129 LEU HA H 1 4.148 0.000 . 1 . . . . . 156 LEU HA . 27593 1 1208 . 1 1 129 129 LEU HB2 H 1 1.568 0.004 . 1 . . . . . 156 LEU HB2 . 27593 1 1209 . 1 1 129 129 LEU C C 13 182.490 0.000 . 1 . . . . . 156 LEU C . 27593 1 1210 . 1 1 129 129 LEU CA C 13 56.793 0.007 . 1 . . . . . 156 LEU CA . 27593 1 1211 . 1 1 129 129 LEU CB C 13 43.522 0.001 . 1 . . . . . 156 LEU CB . 27593 1 1212 . 1 1 129 129 LEU N N 15 127.309 0.062 . 1 . . . . . 156 LEU N . 27593 1 stop_ save_