data_34627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34627 _Entry.Title ; Solution structure of Legionella pneumophila LspC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-12 _Entry.Accession_date 2021-05-12 _Entry.Last_release_date 2021-06-01 _Entry.Original_release_date 2021-06-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 T. Portlock T. J. . . 34627 2 J. Garnett J. A. . . 34627 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Inner Membrane Platform' . 34627 'Legionella pneumophila' . 34627 LspC . 34627 'PROTEIN BINDING' . 34627 'Type II Secretion System' . 34627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 34627 '15N chemical shifts' 115 34627 '1H chemical shifts' 840 34627 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-05-26 . original BMRB . 34627 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7OIO 'BMRB Entry Tracking System' 34627 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34627 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of Legionella pneumophila LspC ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 T. Portlock T. J. . . 34627 1 2 J. Garnett J. A. . . 34627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34627 _Assembly.ID 1 _Assembly.Name 'General secretion pathway protein C' _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 unit_1 1 $entity_1 A A yes . . . . . . 34627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKMTYVRA IPVSNTKSIAGMREENLNYI FNTSLFGVYVPADLNEDNVK QSMLNVTLVGILFADKIEES QVIIRSASGEEKTYNVGDKI PGGATIKRIMPGGVLVERDG TLESLSLPKNDLTFEPVAKP LKEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15995.113 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'General secretion pathway protein GspC' common 34627 1 'Type II secretion system protein C' common 34627 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 26 MET . 34627 1 2 27 ALA . 34627 1 3 28 HIS . 34627 1 4 29 HIS . 34627 1 5 30 HIS . 34627 1 6 31 HIS . 34627 1 7 32 HIS . 34627 1 8 33 HIS . 34627 1 9 34 VAL . 34627 1 10 35 ASP . 34627 1 11 36 ASP . 34627 1 12 37 ASP . 34627 1 13 38 ASP . 34627 1 14 39 LYS . 34627 1 15 40 MET . 34627 1 16 41 THR . 34627 1 17 42 TYR . 34627 1 18 43 VAL . 34627 1 19 44 ARG . 34627 1 20 45 ALA . 34627 1 21 46 ILE . 34627 1 22 47 PRO . 34627 1 23 48 VAL . 34627 1 24 49 SER . 34627 1 25 50 ASN . 34627 1 26 51 THR . 34627 1 27 52 LYS . 34627 1 28 53 SER . 34627 1 29 54 ILE . 34627 1 30 55 ALA . 34627 1 31 56 GLY . 34627 1 32 57 MET . 34627 1 33 58 ARG . 34627 1 34 59 GLU . 34627 1 35 60 GLU . 34627 1 36 61 ASN . 34627 1 37 62 LEU . 34627 1 38 63 ASN . 34627 1 39 64 TYR . 34627 1 40 65 ILE . 34627 1 41 66 PHE . 34627 1 42 67 ASN . 34627 1 43 68 THR . 34627 1 44 69 SER . 34627 1 45 70 LEU . 34627 1 46 71 PHE . 34627 1 47 72 GLY . 34627 1 48 73 VAL . 34627 1 49 74 TYR . 34627 1 50 75 VAL . 34627 1 51 76 PRO . 34627 1 52 77 ALA . 34627 1 53 78 ASP . 34627 1 54 79 LEU . 34627 1 55 80 ASN . 34627 1 56 81 GLU . 34627 1 57 82 ASP . 34627 1 58 83 ASN . 34627 1 59 84 VAL . 34627 1 60 85 LYS . 34627 1 61 86 GLN . 34627 1 62 87 SER . 34627 1 63 88 MET . 34627 1 64 89 LEU . 34627 1 65 90 ASN . 34627 1 66 91 VAL . 34627 1 67 92 THR . 34627 1 68 93 LEU . 34627 1 69 94 VAL . 34627 1 70 95 GLY . 34627 1 71 96 ILE . 34627 1 72 97 LEU . 34627 1 73 98 PHE . 34627 1 74 99 ALA . 34627 1 75 100 ASP . 34627 1 76 101 LYS . 34627 1 77 102 ILE . 34627 1 78 103 GLU . 34627 1 79 104 GLU . 34627 1 80 105 SER . 34627 1 81 106 GLN . 34627 1 82 107 VAL . 34627 1 83 108 ILE . 34627 1 84 109 ILE . 34627 1 85 110 ARG . 34627 1 86 111 SER . 34627 1 87 112 ALA . 34627 1 88 113 SER . 34627 1 89 114 GLY . 34627 1 90 115 GLU . 34627 1 91 116 GLU . 34627 1 92 117 LYS . 34627 1 93 118 THR . 34627 1 94 119 TYR . 34627 1 95 120 ASN . 34627 1 96 121 VAL . 34627 1 97 122 GLY . 34627 1 98 123 ASP . 34627 1 99 124 LYS . 34627 1 100 125 ILE . 34627 1 101 126 PRO . 34627 1 102 127 GLY . 34627 1 103 128 GLY . 34627 1 104 129 ALA . 34627 1 105 130 THR . 34627 1 106 131 ILE . 34627 1 107 132 LYS . 34627 1 108 133 ARG . 34627 1 109 134 ILE . 34627 1 110 135 MET . 34627 1 111 136 PRO . 34627 1 112 137 GLY . 34627 1 113 138 GLY . 34627 1 114 139 VAL . 34627 1 115 140 LEU . 34627 1 116 141 VAL . 34627 1 117 142 GLU . 34627 1 118 143 ARG . 34627 1 119 144 ASP . 34627 1 120 145 GLY . 34627 1 121 146 THR . 34627 1 122 147 LEU . 34627 1 123 148 GLU . 34627 1 124 149 SER . 34627 1 125 150 LEU . 34627 1 126 151 SER . 34627 1 127 152 LEU . 34627 1 128 153 PRO . 34627 1 129 154 LYS . 34627 1 130 155 ASN . 34627 1 131 156 ASP . 34627 1 132 157 LEU . 34627 1 133 158 THR . 34627 1 134 159 PHE . 34627 1 135 160 GLU . 34627 1 136 161 PRO . 34627 1 137 162 VAL . 34627 1 138 163 ALA . 34627 1 139 164 LYS . 34627 1 140 165 PRO . 34627 1 141 166 LEU . 34627 1 142 167 LYS . 34627 1 143 168 GLU . 34627 1 144 169 GLU . 34627 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34627 1 . ALA 2 2 34627 1 . HIS 3 3 34627 1 . HIS 4 4 34627 1 . HIS 5 5 34627 1 . HIS 6 6 34627 1 . HIS 7 7 34627 1 . HIS 8 8 34627 1 . VAL 9 9 34627 1 . ASP 10 10 34627 1 . ASP 11 11 34627 1 . ASP 12 12 34627 1 . ASP 13 13 34627 1 . LYS 14 14 34627 1 . MET 15 15 34627 1 . THR 16 16 34627 1 . TYR 17 17 34627 1 . VAL 18 18 34627 1 . ARG 19 19 34627 1 . ALA 20 20 34627 1 . ILE 21 21 34627 1 . PRO 22 22 34627 1 . VAL 23 23 34627 1 . SER 24 24 34627 1 . ASN 25 25 34627 1 . THR 26 26 34627 1 . LYS 27 27 34627 1 . SER 28 28 34627 1 . ILE 29 29 34627 1 . ALA 30 30 34627 1 . GLY 31 31 34627 1 . MET 32 32 34627 1 . ARG 33 33 34627 1 . GLU 34 34 34627 1 . GLU 35 35 34627 1 . ASN 36 36 34627 1 . LEU 37 37 34627 1 . ASN 38 38 34627 1 . TYR 39 39 34627 1 . ILE 40 40 34627 1 . PHE 41 41 34627 1 . ASN 42 42 34627 1 . THR 43 43 34627 1 . SER 44 44 34627 1 . LEU 45 45 34627 1 . PHE 46 46 34627 1 . GLY 47 47 34627 1 . VAL 48 48 34627 1 . TYR 49 49 34627 1 . VAL 50 50 34627 1 . PRO 51 51 34627 1 . ALA 52 52 34627 1 . ASP 53 53 34627 1 . LEU 54 54 34627 1 . ASN 55 55 34627 1 . GLU 56 56 34627 1 . ASP 57 57 34627 1 . ASN 58 58 34627 1 . VAL 59 59 34627 1 . LYS 60 60 34627 1 . GLN 61 61 34627 1 . SER 62 62 34627 1 . MET 63 63 34627 1 . LEU 64 64 34627 1 . ASN 65 65 34627 1 . VAL 66 66 34627 1 . THR 67 67 34627 1 . LEU 68 68 34627 1 . VAL 69 69 34627 1 . GLY 70 70 34627 1 . ILE 71 71 34627 1 . LEU 72 72 34627 1 . PHE 73 73 34627 1 . ALA 74 74 34627 1 . ASP 75 75 34627 1 . LYS 76 76 34627 1 . ILE 77 77 34627 1 . GLU 78 78 34627 1 . GLU 79 79 34627 1 . SER 80 80 34627 1 . GLN 81 81 34627 1 . VAL 82 82 34627 1 . ILE 83 83 34627 1 . ILE 84 84 34627 1 . ARG 85 85 34627 1 . SER 86 86 34627 1 . ALA 87 87 34627 1 . SER 88 88 34627 1 . GLY 89 89 34627 1 . GLU 90 90 34627 1 . GLU 91 91 34627 1 . LYS 92 92 34627 1 . THR 93 93 34627 1 . TYR 94 94 34627 1 . ASN 95 95 34627 1 . VAL 96 96 34627 1 . GLY 97 97 34627 1 . ASP 98 98 34627 1 . LYS 99 99 34627 1 . ILE 100 100 34627 1 . PRO 101 101 34627 1 . GLY 102 102 34627 1 . GLY 103 103 34627 1 . ALA 104 104 34627 1 . THR 105 105 34627 1 . ILE 106 106 34627 1 . LYS 107 107 34627 1 . ARG 108 108 34627 1 . ILE 109 109 34627 1 . MET 110 110 34627 1 . PRO 111 111 34627 1 . GLY 112 112 34627 1 . GLY 113 113 34627 1 . VAL 114 114 34627 1 . LEU 115 115 34627 1 . VAL 116 116 34627 1 . GLU 117 117 34627 1 . ARG 118 118 34627 1 . ASP 119 119 34627 1 . GLY 120 120 34627 1 . THR 121 121 34627 1 . LEU 122 122 34627 1 . GLU 123 123 34627 1 . SER 124 124 34627 1 . LEU 125 125 34627 1 . SER 126 126 34627 1 . LEU 127 127 34627 1 . PRO 128 128 34627 1 . LYS 129 129 34627 1 . ASN 130 130 34627 1 . ASP 131 131 34627 1 . LEU 132 132 34627 1 . THR 133 133 34627 1 . PHE 134 134 34627 1 . GLU 135 135 34627 1 . PRO 136 136 34627 1 . VAL 137 137 34627 1 . ALA 138 138 34627 1 . LYS 139 139 34627 1 . PRO 140 140 34627 1 . LEU 141 141 34627 1 . LYS 142 142 34627 1 . GLU 143 143 34627 1 . GLU 144 144 34627 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 34627 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 446 organism . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . 'C3926_04815, DI026_10925, DIZ50_00195, ERS253249_00073, NCTC12000_01052' . 34627 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 34627 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34627 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 13C; U-99% 15N] LspC-PER, 50 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' _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 LspC-PER '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34627 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34627 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34627 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34627 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '50 mM NaCl, 50 mM sodium phosphate' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 34627 1 pressure 1 . atm 34627 1 temperature 310 . K 34627 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34627 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34627 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34627 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34627 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34627 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34627 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34627 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34627 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34627 3 'peak picking' . 34627 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34627 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 700 . . . 34627 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 34627 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 5 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34627 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34627 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34627 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34627 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34627 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34627 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34627 1 2 '3D CBCA(CO)NH' . . . 34627 1 3 '3D HNCO' . . . 34627 1 4 '3D HCCH-TOCSY' . . . 34627 1 5 '3D CCH-TOCSY' . . . 34627 1 6 '3D HNCA' . . . 34627 1 7 '3D HN(CO)CA' . . . 34627 1 8 '3D HNCACB' . . . 34627 1 9 '3D 1H-13C NOESY' . . . 34627 1 10 '3D 1H-15N NOESY' . . . 34627 1 11 '2D 1H-13C HSQC' . . . 34627 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA C C 13 176.035 . . 1 . . 3 . A 27 ALA C . 34627 1 2 . 1 . 1 2 2 ALA CA C 13 52.000 0.0 . 1 . . 1 . A 27 ALA CA . 34627 1 3 . 1 . 1 2 2 ALA CB C 13 19.503 0.0 . 1 . . 2 . A 27 ALA CB . 34627 1 4 . 1 . 1 3 3 HIS H H 1 7.861 0.014 . 1 . . 5 . A 28 HIS H . 34627 1 5 . 1 . 1 3 3 HIS C C 13 174.751 . . 1 . . 8 . A 28 HIS C . 34627 1 6 . 1 . 1 3 3 HIS CA C 13 53.941 . . 1 . . 6 . A 28 HIS CA . 34627 1 7 . 1 . 1 3 3 HIS CB C 13 33.771 0.0 . 1 . . 7 . A 28 HIS CB . 34627 1 8 . 1 . 1 3 3 HIS N N 15 119.621 0.017 . 1 . . 4 . A 28 HIS N . 34627 1 9 . 1 . 1 8 8 HIS C C 13 174.954 . . 1 . . 11 . A 33 HIS C . 34627 1 10 . 1 . 1 8 8 HIS CA C 13 56.217 0.0 . 1 . . 9 . A 33 HIS CA . 34627 1 11 . 1 . 1 8 8 HIS CB C 13 30.931 0.0 . 1 . . 10 . A 33 HIS CB . 34627 1 12 . 1 . 1 9 9 VAL H H 1 7.933 0.0 . 1 . . 13 . A 34 VAL H . 34627 1 13 . 1 . 1 9 9 VAL C C 13 175.472 0.0 . 1 . . 16 . A 34 VAL C . 34627 1 14 . 1 . 1 9 9 VAL CA C 13 62.127 0.0 . 1 . . 14 . A 34 VAL CA . 34627 1 15 . 1 . 1 9 9 VAL CB C 13 33.096 . . 1 . . 15 . A 34 VAL CB . 34627 1 16 . 1 . 1 9 9 VAL N N 15 121.716 0.0 . 1 . . 12 . A 34 VAL N . 34627 1 17 . 1 . 1 10 10 ASP H H 1 8.383 . . 1 . . 18 . A 35 ASP H . 34627 1 18 . 1 . 1 10 10 ASP C C 13 176.057 . . 1 . . 21 . A 35 ASP C . 34627 1 19 . 1 . 1 10 10 ASP CA C 13 54.603 . . 1 . . 19 . A 35 ASP CA . 34627 1 20 . 1 . 1 10 10 ASP CB C 13 41.153 0.0 . 1 . . 20 . A 35 ASP CB . 34627 1 21 . 1 . 1 10 10 ASP N N 15 123.718 . . 1 . . 17 . A 35 ASP N . 34627 1 22 . 1 . 1 11 11 ASP H H 1 8.204 0.0 . 1 . . 23 . A 36 ASP H . 34627 1 23 . 1 . 1 11 11 ASP C C 13 176.192 . . 1 . . 26 . A 36 ASP C . 34627 1 24 . 1 . 1 11 11 ASP CA C 13 54.784 . . 1 . . 24 . A 36 ASP CA . 34627 1 25 . 1 . 1 11 11 ASP CB C 13 41.113 . . 1 . . 25 . A 36 ASP CB . 34627 1 26 . 1 . 1 11 11 ASP N N 15 120.692 0.0 . 1 . . 22 . A 36 ASP N . 34627 1 27 . 1 . 1 12 12 ASP H H 1 8.208 0.0 . 1 . . 28 . A 37 ASP H . 34627 1 28 . 1 . 1 12 12 ASP C C 13 176.237 0.0 . 1 . . 31 . A 37 ASP C . 34627 1 29 . 1 . 1 12 12 ASP CA C 13 54.700 0.0 . 1 . . 29 . A 37 ASP CA . 34627 1 30 . 1 . 1 12 12 ASP CB C 13 41.535 0.0 . 1 . . 30 . A 37 ASP CB . 34627 1 31 . 1 . 1 12 12 ASP N N 15 120.722 0.0 . 1 . . 27 . A 37 ASP N . 34627 1 32 . 1 . 1 13 13 ASP H H 1 8.250 0.007 . 1 . . 33 . A 38 ASP H . 34627 1 33 . 1 . 1 13 13 ASP CA C 13 54.869 . . 1 . . 34 . A 38 ASP CA . 34627 1 34 . 1 . 1 13 13 ASP CB C 13 41.366 0.0 . 1 . . 35 . A 38 ASP CB . 34627 1 35 . 1 . 1 13 13 ASP N N 15 120.459 0.021 . 1 . . 32 . A 38 ASP N . 34627 1 36 . 1 . 1 14 14 LYS H H 1 8.081 0.02 . 1 . . 37 . A 39 LYS H . 34627 1 37 . 1 . 1 14 14 LYS C C 13 177.003 . . 1 . . 40 . A 39 LYS C . 34627 1 38 . 1 . 1 14 14 LYS CA C 13 56.863 . . 1 . . 38 . A 39 LYS CA . 34627 1 39 . 1 . 1 14 14 LYS CB C 13 32.589 0.0 . 1 . . 39 . A 39 LYS CB . 34627 1 40 . 1 . 1 14 14 LYS N N 15 120.342 0.0 . 1 . . 36 . A 39 LYS N . 34627 1 41 . 1 . 1 15 15 MET H H 1 8.187 0.003 . 1 . . 42 . A 40 MET H . 34627 1 42 . 1 . 1 15 15 MET C C 13 176.485 0.0 . 1 . . 45 . A 40 MET C . 34627 1 43 . 1 . 1 15 15 MET CA C 13 55.797 . . 1 . . 43 . A 40 MET CA . 34627 1 44 . 1 . 1 15 15 MET CB C 13 32.545 . . 1 . . 44 . A 40 MET CB . 34627 1 45 . 1 . 1 15 15 MET N N 15 119.130 0.032 . 1 . . 41 . A 40 MET N . 34627 1 46 . 1 . 1 16 16 THR H H 1 7.949 0.0 . 1 . . 47 . A 41 THR H . 34627 1 47 . 1 . 1 16 16 THR HA H 1 4.236 0.027 . 1 . . 49 . A 41 THR HA . 34627 1 48 . 1 . 1 16 16 THR HB H 1 4.097 0.01 . 1 . . 51 . A 41 THR HB . 34627 1 49 . 1 . 1 16 16 THR HG21 H 1 1.129 0.026 . 1 . . 53 . A 41 THR HG21 . 34627 1 50 . 1 . 1 16 16 THR HG22 H 1 1.129 0.026 . 1 . . 53 . A 41 THR HG22 . 34627 1 51 . 1 . 1 16 16 THR HG23 H 1 1.129 0.026 . 1 . . 53 . A 41 THR HG23 . 34627 1 52 . 1 . 1 16 16 THR C C 13 174.143 . . 1 . . 54 . A 41 THR C . 34627 1 53 . 1 . 1 16 16 THR CA C 13 61.918 0.307 . 1 . . 48 . A 41 THR CA . 34627 1 54 . 1 . 1 16 16 THR CB C 13 69.591 0.132 . 1 . . 50 . A 41 THR CB . 34627 1 55 . 1 . 1 16 16 THR CG2 C 13 21.514 . . 1 . . 52 . A 41 THR CG2 . 34627 1 56 . 1 . 1 16 16 THR N N 15 114.763 0.0 . 1 . . 46 . A 41 THR N . 34627 1 57 . 1 . 1 17 17 TYR H H 1 7.995 0.005 . 1 . . 56 . A 42 TYR H . 34627 1 58 . 1 . 1 17 17 TYR HA H 1 4.622 0.016 . 1 . . 58 . A 42 TYR HA . 34627 1 59 . 1 . 1 17 17 TYR HB2 H 1 2.990 0.023 . 2 . . 61 . A 42 TYR HB2 . 34627 1 60 . 1 . 1 17 17 TYR HB3 H 1 2.981 0.024 . 2 . . 60 . A 42 TYR HB3 . 34627 1 61 . 1 . 1 17 17 TYR HD1 H 1 7.210 0.004 . 1 . . 63 . A 42 TYR HD1 . 34627 1 62 . 1 . 1 17 17 TYR HD2 H 1 7.210 0.004 . 1 . . 63 . A 42 TYR HD2 . 34627 1 63 . 1 . 1 17 17 TYR HE1 H 1 6.910 0.0 . 1 . . 62 . A 42 TYR HE1 . 34627 1 64 . 1 . 1 17 17 TYR HE2 H 1 6.910 0.0 . 1 . . 62 . A 42 TYR HE2 . 34627 1 65 . 1 . 1 17 17 TYR C C 13 175.494 0.0 . 1 . . 64 . A 42 TYR C . 34627 1 66 . 1 . 1 17 17 TYR CA C 13 57.761 . . 1 . . 57 . A 42 TYR CA . 34627 1 67 . 1 . 1 17 17 TYR CB C 13 39.471 0.239 . 1 . . 59 . A 42 TYR CB . 34627 1 68 . 1 . 1 17 17 TYR N N 15 121.715 0.208 . 1 . . 55 . A 42 TYR N . 34627 1 69 . 1 . 1 18 18 VAL H H 1 7.907 0.01 . 1 . . 66 . A 43 VAL H . 34627 1 70 . 1 . 1 18 18 VAL HA H 1 4.095 0.026 . 1 . . 68 . A 43 VAL HA . 34627 1 71 . 1 . 1 18 18 VAL HB H 1 2.015 0.023 . 1 . . 70 . A 43 VAL HB . 34627 1 72 . 1 . 1 18 18 VAL HG11 H 1 0.869 0.035 . 2 . . 74 . A 43 VAL HG11 . 34627 1 73 . 1 . 1 18 18 VAL HG12 H 1 0.869 0.035 . 2 . . 74 . A 43 VAL HG12 . 34627 1 74 . 1 . 1 18 18 VAL HG13 H 1 0.869 0.035 . 2 . . 74 . A 43 VAL HG13 . 34627 1 75 . 1 . 1 18 18 VAL HG21 H 1 0.845 0.018 . 2 . . 72 . A 43 VAL HG21 . 34627 1 76 . 1 . 1 18 18 VAL HG22 H 1 0.845 0.018 . 2 . . 72 . A 43 VAL HG22 . 34627 1 77 . 1 . 1 18 18 VAL HG23 H 1 0.845 0.018 . 2 . . 72 . A 43 VAL HG23 . 34627 1 78 . 1 . 1 18 18 VAL C C 13 175.742 0.0 . 1 . . 75 . A 43 VAL C . 34627 1 79 . 1 . 1 18 18 VAL CA C 13 62.222 0.059 . 1 . . 67 . A 43 VAL CA . 34627 1 80 . 1 . 1 18 18 VAL CB C 13 32.931 0.011 . 1 . . 69 . A 43 VAL CB . 34627 1 81 . 1 . 1 18 18 VAL CG1 C 13 21.039 . . 2 . . 73 . A 43 VAL CG1 . 34627 1 82 . 1 . 1 18 18 VAL CG2 C 13 21.216 . . 2 . . 71 . A 43 VAL CG2 . 34627 1 83 . 1 . 1 18 18 VAL N N 15 121.653 0.052 . 1 . . 65 . A 43 VAL N . 34627 1 84 . 1 . 1 19 19 ARG H H 1 8.149 0.033 . 1 . . 77 . A 44 ARG H . 34627 1 85 . 1 . 1 19 19 ARG HA H 1 4.324 0.009 . 1 . . 79 . A 44 ARG HA . 34627 1 86 . 1 . 1 19 19 ARG HB2 H 1 1.755 0.006 . 2 . . 82 . A 44 ARG HB2 . 34627 1 87 . 1 . 1 19 19 ARG HB3 H 1 1.756 0.007 . 2 . . 81 . A 44 ARG HB3 . 34627 1 88 . 1 . 1 19 19 ARG HG2 H 1 1.579 0.012 . 2 . . 85 . A 44 ARG HG2 . 34627 1 89 . 1 . 1 19 19 ARG HG3 H 1 1.734 0.002 . 2 . . 84 . A 44 ARG HG3 . 34627 1 90 . 1 . 1 19 19 ARG HD2 H 1 3.191 0.025 . 2 . . 88 . A 44 ARG HD2 . 34627 1 91 . 1 . 1 19 19 ARG HD3 H 1 3.191 0.025 . 2 . . 87 . A 44 ARG HD3 . 34627 1 92 . 1 . 1 19 19 ARG C C 13 175.472 0.0 . 1 . . 89 . A 44 ARG C . 34627 1 93 . 1 . 1 19 19 ARG CA C 13 56.334 0.003 . 1 . . 78 . A 44 ARG CA . 34627 1 94 . 1 . 1 19 19 ARG CB C 13 31.302 0.176 . 1 . . 80 . A 44 ARG CB . 34627 1 95 . 1 . 1 19 19 ARG CG C 13 27.321 0.144 . 1 . . 83 . A 44 ARG CG . 34627 1 96 . 1 . 1 19 19 ARG CD C 13 43.671 0.072 . 1 . . 86 . A 44 ARG CD . 34627 1 97 . 1 . 1 19 19 ARG N N 15 124.170 0.047 . 1 . . 76 . A 44 ARG N . 34627 1 98 . 1 . 1 20 20 ALA H H 1 8.167 0.032 . 1 . . 91 . A 45 ALA H . 34627 1 99 . 1 . 1 20 20 ALA HA H 1 4.333 0.002 . 1 . . 93 . A 45 ALA HA . 34627 1 100 . 1 . 1 20 20 ALA HB1 H 1 1.353 0.008 . 1 . . 95 . A 45 ALA HB1 . 34627 1 101 . 1 . 1 20 20 ALA HB2 H 1 1.353 0.008 . 1 . . 95 . A 45 ALA HB2 . 34627 1 102 . 1 . 1 20 20 ALA HB3 H 1 1.353 0.008 . 1 . . 95 . A 45 ALA HB3 . 34627 1 103 . 1 . 1 20 20 ALA C C 13 176.971 . . 1 . . 96 . A 45 ALA C . 34627 1 104 . 1 . 1 20 20 ALA CA C 13 52.182 0.002 . 1 . . 92 . A 45 ALA CA . 34627 1 105 . 1 . 1 20 20 ALA CB C 13 19.373 0.033 . 1 . . 94 . A 45 ALA CB . 34627 1 106 . 1 . 1 20 20 ALA N N 15 125.075 0.0 . 1 . . 90 . A 45 ALA N . 34627 1 107 . 1 . 1 21 21 ILE H H 1 7.991 0.007 . 1 . . 98 . A 46 ILE H . 34627 1 108 . 1 . 1 21 21 ILE HA H 1 4.435 0.012 . 1 . . 100 . A 46 ILE HA . 34627 1 109 . 1 . 1 21 21 ILE HB H 1 1.849 0.016 . 1 . . 102 . A 46 ILE HB . 34627 1 110 . 1 . 1 21 21 ILE HG12 H 1 1.482 0.024 . 2 . . 105 . A 46 ILE HG12 . 34627 1 111 . 1 . 1 21 21 ILE HG13 H 1 1.479 0.023 . 2 . . 104 . A 46 ILE HG13 . 34627 1 112 . 1 . 1 21 21 ILE HG21 H 1 0.900 0.026 . 1 . . 109 . A 46 ILE HG21 . 34627 1 113 . 1 . 1 21 21 ILE HG22 H 1 0.900 0.026 . 1 . . 109 . A 46 ILE HG22 . 34627 1 114 . 1 . 1 21 21 ILE HG23 H 1 0.900 0.026 . 1 . . 109 . A 46 ILE HG23 . 34627 1 115 . 1 . 1 21 21 ILE HD11 H 1 0.825 0.01 . 1 . . 107 . A 46 ILE HD11 . 34627 1 116 . 1 . 1 21 21 ILE HD12 H 1 0.825 0.01 . 1 . . 107 . A 46 ILE HD12 . 34627 1 117 . 1 . 1 21 21 ILE HD13 H 1 0.825 0.01 . 1 . . 107 . A 46 ILE HD13 . 34627 1 118 . 1 . 1 21 21 ILE C C 13 174.571 . . 1 . . 110 . A 46 ILE C . 34627 1 119 . 1 . 1 21 21 ILE CA C 13 58.439 0.11 . 1 . . 99 . A 46 ILE CA . 34627 1 120 . 1 . 1 21 21 ILE CB C 13 38.853 0.012 . 1 . . 101 . A 46 ILE CB . 34627 1 121 . 1 . 1 21 21 ILE CG1 C 13 27.147 0.052 . 1 . . 103 . A 46 ILE CG1 . 34627 1 122 . 1 . 1 21 21 ILE CG2 C 13 17.390 0.177 . 1 . . 108 . A 46 ILE CG2 . 34627 1 123 . 1 . 1 21 21 ILE CD1 C 13 13.187 0.264 . 1 . . 106 . A 46 ILE CD1 . 34627 1 124 . 1 . 1 21 21 ILE N N 15 121.693 0.269 . 1 . . 97 . A 46 ILE N . 34627 1 125 . 1 . 1 22 22 PRO HA H 1 4.428 0.013 . 1 . . 112 . A 47 PRO HA . 34627 1 126 . 1 . 1 22 22 PRO HB2 H 1 1.892 0.019 . 2 . . 115 . A 47 PRO HB2 . 34627 1 127 . 1 . 1 22 22 PRO HB3 H 1 2.272 0.023 . 2 . . 114 . A 47 PRO HB3 . 34627 1 128 . 1 . 1 22 22 PRO HG2 H 1 1.998 0.012 . 2 . . 118 . A 47 PRO HG2 . 34627 1 129 . 1 . 1 22 22 PRO HG3 H 1 1.996 0.012 . 2 . . 117 . A 47 PRO HG3 . 34627 1 130 . 1 . 1 22 22 PRO HD2 H 1 3.817 0.023 . 2 . . 120 . A 47 PRO HD2 . 34627 1 131 . 1 . 1 22 22 PRO HD3 H 1 3.816 0.023 . 2 . . 1305 . A 47 PRO HD3 . 34627 1 132 . 1 . 1 22 22 PRO CA C 13 63.055 0.059 . 1 . . 111 . A 47 PRO CA . 34627 1 133 . 1 . 1 22 22 PRO CB C 13 32.050 0.034 . 1 . . 113 . A 47 PRO CB . 34627 1 134 . 1 . 1 22 22 PRO CG C 13 27.483 0.038 . 1 . . 116 . A 47 PRO CG . 34627 1 135 . 1 . 1 22 22 PRO CD C 13 50.906 0.143 . 1 . . 119 . A 47 PRO CD . 34627 1 136 . 1 . 1 23 23 VAL H H 1 8.093 0.022 . 1 . . 122 . A 48 VAL H . 34627 1 137 . 1 . 1 23 23 VAL HA H 1 4.113 0.031 . 1 . . 124 . A 48 VAL HA . 34627 1 138 . 1 . 1 23 23 VAL HB H 1 2.039 0.015 . 1 . . 126 . A 48 VAL HB . 34627 1 139 . 1 . 1 23 23 VAL HG11 H 1 0.942 0.006 . 2 . . 130 . A 48 VAL HG11 . 34627 1 140 . 1 . 1 23 23 VAL HG12 H 1 0.942 0.006 . 2 . . 130 . A 48 VAL HG12 . 34627 1 141 . 1 . 1 23 23 VAL HG13 H 1 0.942 0.006 . 2 . . 130 . A 48 VAL HG13 . 34627 1 142 . 1 . 1 23 23 VAL HG21 H 1 0.927 0.015 . 2 . . 128 . A 48 VAL HG21 . 34627 1 143 . 1 . 1 23 23 VAL HG22 H 1 0.927 0.015 . 2 . . 128 . A 48 VAL HG22 . 34627 1 144 . 1 . 1 23 23 VAL HG23 H 1 0.927 0.015 . 2 . . 128 . A 48 VAL HG23 . 34627 1 145 . 1 . 1 23 23 VAL CA C 13 62.197 0.079 . 1 . . 123 . A 48 VAL CA . 34627 1 146 . 1 . 1 23 23 VAL CB C 13 32.924 0.019 . 1 . . 125 . A 48 VAL CB . 34627 1 147 . 1 . 1 23 23 VAL CG1 C 13 21.192 . . 2 . . 129 . A 48 VAL CG1 . 34627 1 148 . 1 . 1 23 23 VAL CG2 C 13 21.389 . . 2 . . 127 . A 48 VAL CG2 . 34627 1 149 . 1 . 1 23 23 VAL N N 15 119.954 0.032 . 1 . . 121 . A 48 VAL N . 34627 1 150 . 1 . 1 26 26 THR H H 1 8.339 . . 1 . . 1306 . A 51 THR H . 34627 1 151 . 1 . 1 26 26 THR N N 15 119.896 . . 1 . . 1307 . A 51 THR N . 34627 1 152 . 1 . 1 29 29 ILE HA H 1 4.191 0.008 . 1 . . 132 . A 54 ILE HA . 34627 1 153 . 1 . 1 29 29 ILE HB H 1 1.855 0.017 . 1 . . 134 . A 54 ILE HB . 34627 1 154 . 1 . 1 29 29 ILE HG12 H 1 1.445 0.018 . 2 . . 137 . A 54 ILE HG12 . 34627 1 155 . 1 . 1 29 29 ILE HG13 H 1 1.157 0.011 . 2 . . 136 . A 54 ILE HG13 . 34627 1 156 . 1 . 1 29 29 ILE HG21 H 1 0.845 0.016 . 1 . . 141 . A 54 ILE HG21 . 34627 1 157 . 1 . 1 29 29 ILE HG22 H 1 0.845 0.016 . 1 . . 141 . A 54 ILE HG22 . 34627 1 158 . 1 . 1 29 29 ILE HG23 H 1 0.845 0.016 . 1 . . 141 . A 54 ILE HG23 . 34627 1 159 . 1 . 1 29 29 ILE HD11 H 1 0.892 0.02 . 1 . . 139 . A 54 ILE HD11 . 34627 1 160 . 1 . 1 29 29 ILE HD12 H 1 0.892 0.02 . 1 . . 139 . A 54 ILE HD12 . 34627 1 161 . 1 . 1 29 29 ILE HD13 H 1 0.892 0.02 . 1 . . 139 . A 54 ILE HD13 . 34627 1 162 . 1 . 1 29 29 ILE C C 13 176.080 . . 1 . . 142 . A 54 ILE C . 34627 1 163 . 1 . 1 29 29 ILE CA C 13 61.361 0.017 . 1 . . 131 . A 54 ILE CA . 34627 1 164 . 1 . 1 29 29 ILE CB C 13 38.851 0.013 . 1 . . 133 . A 54 ILE CB . 34627 1 165 . 1 . 1 29 29 ILE CG1 C 13 27.234 0.127 . 1 . . 135 . A 54 ILE CG1 . 34627 1 166 . 1 . 1 29 29 ILE CG2 C 13 13.189 0.081 . 1 . . 140 . A 54 ILE CG2 . 34627 1 167 . 1 . 1 29 29 ILE CD1 C 13 17.633 0.3 . 1 . . 138 . A 54 ILE CD1 . 34627 1 168 . 1 . 1 30 30 ALA H H 1 8.228 0.013 . 1 . . 144 . A 55 ALA H . 34627 1 169 . 1 . 1 30 30 ALA HA H 1 4.276 0.022 . 1 . . 146 . A 55 ALA HA . 34627 1 170 . 1 . 1 30 30 ALA HB1 H 1 1.374 0.012 . 1 . . 148 . A 55 ALA HB1 . 34627 1 171 . 1 . 1 30 30 ALA HB2 H 1 1.374 0.012 . 1 . . 148 . A 55 ALA HB2 . 34627 1 172 . 1 . 1 30 30 ALA HB3 H 1 1.374 0.012 . 1 . . 148 . A 55 ALA HB3 . 34627 1 173 . 1 . 1 30 30 ALA C C 13 178.197 0.0 . 1 . . 149 . A 55 ALA C . 34627 1 174 . 1 . 1 30 30 ALA CA C 13 53.056 0.0 . 1 . . 145 . A 55 ALA CA . 34627 1 175 . 1 . 1 30 30 ALA CB C 13 19.387 0.025 . 1 . . 147 . A 55 ALA CB . 34627 1 176 . 1 . 1 30 30 ALA N N 15 126.999 0.0 . 1 . . 143 . A 55 ALA N . 34627 1 177 . 1 . 1 31 31 GLY H H 1 8.243 0.012 . 1 . . 151 . A 56 GLY H . 34627 1 178 . 1 . 1 31 31 GLY HA2 H 1 3.930 0.004 . 1 . . 154 . A 56 GLY HA2 . 34627 1 179 . 1 . 1 31 31 GLY HA3 H 1 3.930 0.004 . 1 . . 153 . A 56 GLY HA3 . 34627 1 180 . 1 . 1 31 31 GLY CA C 13 45.468 0.0 . 1 . . 152 . A 56 GLY CA . 34627 1 181 . 1 . 1 31 31 GLY N N 15 107.803 0.0 . 1 . . 150 . A 56 GLY N . 34627 1 182 . 1 . 1 32 32 MET H H 1 8.055 0.019 . 1 . . 156 . A 57 MET H . 34627 1 183 . 1 . 1 32 32 MET HA H 1 4.465 0.008 . 1 . . 158 . A 57 MET HA . 34627 1 184 . 1 . 1 32 32 MET HB2 H 1 2.030 0.011 . 2 . . 161 . A 57 MET HB2 . 34627 1 185 . 1 . 1 32 32 MET HB3 H 1 2.053 0.017 . 2 . . 160 . A 57 MET HB3 . 34627 1 186 . 1 . 1 32 32 MET HG2 H 1 2.546 0.015 . 2 . . 164 . A 57 MET HG2 . 34627 1 187 . 1 . 1 32 32 MET HG3 H 1 2.519 0.012 . 2 . . 163 . A 57 MET HG3 . 34627 1 188 . 1 . 1 32 32 MET C C 13 176.232 . . 1 . . 165 . A 57 MET C . 34627 1 189 . 1 . 1 32 32 MET CA C 13 55.883 0.057 . 1 . . 157 . A 57 MET CA . 34627 1 190 . 1 . 1 32 32 MET CB C 13 32.792 0.134 . 1 . . 159 . A 57 MET CB . 34627 1 191 . 1 . 1 32 32 MET CG C 13 32.280 0.008 . 1 . . 162 . A 57 MET CG . 34627 1 192 . 1 . 1 32 32 MET N N 15 119.843 0.105 . 1 . . 155 . A 57 MET N . 34627 1 193 . 1 . 1 33 33 ARG H H 1 8.292 0.028 . 1 . . 167 . A 58 ARG H . 34627 1 194 . 1 . 1 33 33 ARG HA H 1 4.317 0.021 . 1 . . 169 . A 58 ARG HA . 34627 1 195 . 1 . 1 33 33 ARG HB2 H 1 1.755 0.016 . 2 . . 172 . A 58 ARG HB2 . 34627 1 196 . 1 . 1 33 33 ARG HB3 H 1 1.878 0.03 . 2 . . 171 . A 58 ARG HB3 . 34627 1 197 . 1 . 1 33 33 ARG HG2 H 1 1.614 0.016 . 2 . . 175 . A 58 ARG HG2 . 34627 1 198 . 1 . 1 33 33 ARG HG3 H 1 1.606 0.017 . 2 . . 174 . A 58 ARG HG3 . 34627 1 199 . 1 . 1 33 33 ARG HD2 H 1 3.195 0.021 . 2 . . 178 . A 58 ARG HD2 . 34627 1 200 . 1 . 1 33 33 ARG HD3 H 1 3.165 0.015 . 2 . . 177 . A 58 ARG HD3 . 34627 1 201 . 1 . 1 33 33 ARG C C 13 176.335 0.0 . 1 . . 179 . A 58 ARG C . 34627 1 202 . 1 . 1 33 33 ARG CA C 13 56.332 0.121 . 1 . . 168 . A 58 ARG CA . 34627 1 203 . 1 . 1 33 33 ARG CB C 13 30.979 0.272 . 1 . . 170 . A 58 ARG CB . 34627 1 204 . 1 . 1 33 33 ARG CG C 13 27.361 0.13 . 1 . . 173 . A 58 ARG CG . 34627 1 205 . 1 . 1 33 33 ARG CD C 13 43.695 0.098 . 1 . . 176 . A 58 ARG CD . 34627 1 206 . 1 . 1 33 33 ARG N N 15 121.413 0.228 . 1 . . 166 . A 58 ARG N . 34627 1 207 . 1 . 1 34 34 GLU H H 1 8.466 0.004 . 1 . . 181 . A 59 GLU H . 34627 1 208 . 1 . 1 34 34 GLU HA H 1 4.236 0.024 . 1 . . 183 . A 59 GLU HA . 34627 1 209 . 1 . 1 34 34 GLU HB2 H 1 1.933 0.029 . 2 . . 186 . A 59 GLU HB2 . 34627 1 210 . 1 . 1 34 34 GLU HB3 H 1 2.043 0.024 . 2 . . 185 . A 59 GLU HB3 . 34627 1 211 . 1 . 1 34 34 GLU HG2 H 1 2.224 0.013 . 2 . . 189 . A 59 GLU HG2 . 34627 1 212 . 1 . 1 34 34 GLU HG3 H 1 2.233 0.003 . 2 . . 188 . A 59 GLU HG3 . 34627 1 213 . 1 . 1 34 34 GLU C C 13 176.665 0.0 . 1 . . 190 . A 59 GLU C . 34627 1 214 . 1 . 1 34 34 GLU CA C 13 57.041 0.218 . 1 . . 182 . A 59 GLU CA . 34627 1 215 . 1 . 1 34 34 GLU CB C 13 30.333 0.113 . 1 . . 184 . A 59 GLU CB . 34627 1 216 . 1 . 1 34 34 GLU CG C 13 36.575 0.034 . 1 . . 187 . A 59 GLU CG . 34627 1 217 . 1 . 1 34 34 GLU N N 15 121.883 0.094 . 1 . . 180 . A 59 GLU N . 34627 1 218 . 1 . 1 35 35 GLU H H 1 8.469 0.004 . 1 . . 192 . A 60 GLU H . 34627 1 219 . 1 . 1 35 35 GLU HA H 1 4.245 0.028 . 1 . . 194 . A 60 GLU HA . 34627 1 220 . 1 . 1 35 35 GLU HB2 H 1 1.939 0.019 . 2 . . 197 . A 60 GLU HB2 . 34627 1 221 . 1 . 1 35 35 GLU HB3 H 1 2.044 0.024 . 2 . . 196 . A 60 GLU HB3 . 34627 1 222 . 1 . 1 35 35 GLU HG2 H 1 2.236 0.008 . 2 . . 200 . A 60 GLU HG2 . 34627 1 223 . 1 . 1 35 35 GLU HG3 H 1 2.240 0.007 . 2 . . 199 . A 60 GLU HG3 . 34627 1 224 . 1 . 1 35 35 GLU C C 13 176.288 0.0 . 1 . . 201 . A 60 GLU C . 34627 1 225 . 1 . 1 35 35 GLU CA C 13 57.015 0.209 . 1 . . 193 . A 60 GLU CA . 34627 1 226 . 1 . 1 35 35 GLU CB C 13 30.413 0.123 . 1 . . 195 . A 60 GLU CB . 34627 1 227 . 1 . 1 35 35 GLU CG C 13 36.469 0.004 . 1 . . 198 . A 60 GLU CG . 34627 1 228 . 1 . 1 35 35 GLU N N 15 121.063 0.022 . 1 . . 191 . A 60 GLU N . 34627 1 229 . 1 . 1 36 36 ASN H H 1 8.312 0.029 . 1 . . 203 . A 61 ASN H . 34627 1 230 . 1 . 1 36 36 ASN HA H 1 4.658 0.016 . 1 . . 205 . A 61 ASN HA . 34627 1 231 . 1 . 1 36 36 ASN HB2 H 1 2.745 0.019 . 2 . . 208 . A 61 ASN HB2 . 34627 1 232 . 1 . 1 36 36 ASN HB3 H 1 2.858 0.018 . 2 . . 207 . A 61 ASN HB3 . 34627 1 233 . 1 . 1 36 36 ASN C C 13 175.224 . . 1 . . 209 . A 61 ASN C . 34627 1 234 . 1 . 1 36 36 ASN CA C 13 53.635 0.0 . 1 . . 204 . A 61 ASN CA . 34627 1 235 . 1 . 1 36 36 ASN CB C 13 39.134 0.192 . 1 . . 206 . A 61 ASN CB . 34627 1 236 . 1 . 1 36 36 ASN N N 15 119.132 0.18 . 1 . . 202 . A 61 ASN N . 34627 1 237 . 1 . 1 37 37 LEU H H 1 8.067 0.025 . 1 . . 211 . A 62 LEU H . 34627 1 238 . 1 . 1 37 37 LEU HA H 1 4.238 0.016 . 1 . . 213 . A 62 LEU HA . 34627 1 239 . 1 . 1 37 37 LEU HB2 H 1 1.329 0.019 . 2 . . 216 . A 62 LEU HB2 . 34627 1 240 . 1 . 1 37 37 LEU HB3 H 1 1.451 0.021 . 2 . . 215 . A 62 LEU HB3 . 34627 1 241 . 1 . 1 37 37 LEU HG H 1 1.404 0.023 . 1 . . 218 . A 62 LEU HG . 34627 1 242 . 1 . 1 37 37 LEU HD11 H 1 0.819 0.011 . 2 . . 219 . A 62 LEU HD11 . 34627 1 243 . 1 . 1 37 37 LEU HD12 H 1 0.819 0.011 . 2 . . 219 . A 62 LEU HD12 . 34627 1 244 . 1 . 1 37 37 LEU HD13 H 1 0.819 0.011 . 2 . . 219 . A 62 LEU HD13 . 34627 1 245 . 1 . 1 37 37 LEU HD21 H 1 0.767 0.038 . 2 . . 221 . A 62 LEU HD21 . 34627 1 246 . 1 . 1 37 37 LEU HD22 H 1 0.767 0.038 . 2 . . 221 . A 62 LEU HD22 . 34627 1 247 . 1 . 1 37 37 LEU HD23 H 1 0.767 0.038 . 2 . . 221 . A 62 LEU HD23 . 34627 1 248 . 1 . 1 37 37 LEU C C 13 177.043 0.0 . 1 . . 222 . A 62 LEU C . 34627 1 249 . 1 . 1 37 37 LEU CA C 13 55.589 0.076 . 1 . . 212 . A 62 LEU CA . 34627 1 250 . 1 . 1 37 37 LEU CB C 13 42.105 0.167 . 1 . . 214 . A 62 LEU CB . 34627 1 251 . 1 . 1 37 37 LEU CG C 13 27.185 0.247 . 1 . . 217 . A 62 LEU CG . 34627 1 252 . 1 . 1 37 37 LEU CD2 C 13 24.453 0.0 . 1 . . 220 . A 62 LEU CD2 . 34627 1 253 . 1 . 1 37 37 LEU N N 15 121.917 0.129 . 1 . . 210 . A 62 LEU N . 34627 1 254 . 1 . 1 38 38 ASN H H 1 8.231 0.021 . 1 . . 224 . A 63 ASN H . 34627 1 255 . 1 . 1 38 38 ASN HA H 1 4.628 0.021 . 1 . . 226 . A 63 ASN HA . 34627 1 256 . 1 . 1 38 38 ASN HB2 H 1 2.865 0.02 . 2 . . 229 . A 63 ASN HB2 . 34627 1 257 . 1 . 1 38 38 ASN HB3 H 1 2.743 0.021 . 2 . . 228 . A 63 ASN HB3 . 34627 1 258 . 1 . 1 38 38 ASN C C 13 175.089 . . 1 . . 230 . A 63 ASN C . 34627 1 259 . 1 . 1 38 38 ASN CA C 13 53.888 0.0 . 1 . . 225 . A 63 ASN CA . 34627 1 260 . 1 . 1 38 38 ASN CB C 13 39.094 0.171 . 1 . . 227 . A 63 ASN CB . 34627 1 261 . 1 . 1 38 38 ASN N N 15 118.196 0.315 . 1 . . 223 . A 63 ASN N . 34627 1 262 . 1 . 1 39 39 TYR H H 1 7.846 0.001 . 1 . . 232 . A 64 TYR H . 34627 1 263 . 1 . 1 39 39 TYR HA H 1 4.520 0.004 . 1 . . 234 . A 64 TYR HA . 34627 1 264 . 1 . 1 39 39 TYR HB2 H 1 2.896 0.028 . 2 . . 237 . A 64 TYR HB2 . 34627 1 265 . 1 . 1 39 39 TYR HB3 H 1 2.930 0.011 . 2 . . 236 . A 64 TYR HB3 . 34627 1 266 . 1 . 1 39 39 TYR HD1 H 1 7.026 0.006 . 1 . . 239 . A 64 TYR HD1 . 34627 1 267 . 1 . 1 39 39 TYR HD2 H 1 7.026 0.006 . 1 . . 239 . A 64 TYR HD2 . 34627 1 268 . 1 . 1 39 39 TYR HE1 H 1 6.788 0.0 . 1 . . 238 . A 64 TYR HE1 . 34627 1 269 . 1 . 1 39 39 TYR HE2 H 1 6.788 0.0 . 1 . . 238 . A 64 TYR HE2 . 34627 1 270 . 1 . 1 39 39 TYR C C 13 175.607 0.0 . 1 . . 240 . A 64 TYR C . 34627 1 271 . 1 . 1 39 39 TYR CA C 13 58.015 0.0 . 1 . . 233 . A 64 TYR CA . 34627 1 272 . 1 . 1 39 39 TYR CB C 13 39.002 0.09 . 1 . . 235 . A 64 TYR CB . 34627 1 273 . 1 . 1 39 39 TYR N N 15 119.617 0.011 . 1 . . 231 . A 64 TYR N . 34627 1 274 . 1 . 1 40 40 ILE H H 1 7.721 0.002 . 1 . . 242 . A 65 ILE H . 34627 1 275 . 1 . 1 40 40 ILE HA H 1 4.005 0.014 . 1 . . 244 . A 65 ILE HA . 34627 1 276 . 1 . 1 40 40 ILE HB H 1 1.699 0.017 . 1 . . 246 . A 65 ILE HB . 34627 1 277 . 1 . 1 40 40 ILE HG12 H 1 1.000 0.005 . 2 . . 249 . A 65 ILE HG12 . 34627 1 278 . 1 . 1 40 40 ILE HG13 H 1 1.257 0.009 . 2 . . 248 . A 65 ILE HG13 . 34627 1 279 . 1 . 1 40 40 ILE HG21 H 1 0.676 0.004 . 1 . . 253 . A 65 ILE HG21 . 34627 1 280 . 1 . 1 40 40 ILE HG22 H 1 0.676 0.004 . 1 . . 253 . A 65 ILE HG22 . 34627 1 281 . 1 . 1 40 40 ILE HG23 H 1 0.676 0.004 . 1 . . 253 . A 65 ILE HG23 . 34627 1 282 . 1 . 1 40 40 ILE HD11 H 1 0.719 0.025 . 1 . . 251 . A 65 ILE HD11 . 34627 1 283 . 1 . 1 40 40 ILE HD12 H 1 0.719 0.025 . 1 . . 251 . A 65 ILE HD12 . 34627 1 284 . 1 . 1 40 40 ILE HD13 H 1 0.719 0.025 . 1 . . 251 . A 65 ILE HD13 . 34627 1 285 . 1 . 1 40 40 ILE C C 13 175.719 . . 1 . . 254 . A 65 ILE C . 34627 1 286 . 1 . 1 40 40 ILE CA C 13 61.868 0.164 . 1 . . 243 . A 65 ILE CA . 34627 1 287 . 1 . 1 40 40 ILE CB C 13 38.697 0.03 . 1 . . 245 . A 65 ILE CB . 34627 1 288 . 1 . 1 40 40 ILE CG1 C 13 27.419 0.066 . 1 . . 247 . A 65 ILE CG1 . 34627 1 289 . 1 . 1 40 40 ILE CG2 C 13 93.254 0.0 . 1 . . 252 . A 65 ILE CG2 . 34627 1 290 . 1 . 1 40 40 ILE CD1 C 13 13.243 0.127 . 1 . . 250 . A 65 ILE CD1 . 34627 1 291 . 1 . 1 40 40 ILE N N 15 120.739 0.03 . 1 . . 241 . A 65 ILE N . 34627 1 292 . 1 . 1 41 41 PHE H H 1 8.002 0.023 . 1 . . 256 . A 66 PHE H . 34627 1 293 . 1 . 1 41 41 PHE HA H 1 4.623 0.013 . 1 . . 258 . A 66 PHE HA . 34627 1 294 . 1 . 1 41 41 PHE HB2 H 1 2.924 0.015 . 2 . . 261 . A 66 PHE HB2 . 34627 1 295 . 1 . 1 41 41 PHE HB3 H 1 2.918 0.014 . 2 . . 260 . A 66 PHE HB3 . 34627 1 296 . 1 . 1 41 41 PHE HD1 H 1 7.026 0.006 . 1 . . 263 . A 66 PHE HD1 . 34627 1 297 . 1 . 1 41 41 PHE HD2 H 1 7.026 0.006 . 1 . . 263 . A 66 PHE HD2 . 34627 1 298 . 1 . 1 41 41 PHE HE1 H 1 6.786 0.0 . 1 . . 262 . A 66 PHE HE1 . 34627 1 299 . 1 . 1 41 41 PHE HE2 H 1 6.786 0.0 . 1 . . 262 . A 66 PHE HE2 . 34627 1 300 . 1 . 1 41 41 PHE C C 13 175.449 . . 1 . . 264 . A 66 PHE C . 34627 1 301 . 1 . 1 41 41 PHE CA C 13 57.823 0.0 . 1 . . 257 . A 66 PHE CA . 34627 1 302 . 1 . 1 41 41 PHE CB C 13 39.047 0.078 . 1 . . 259 . A 66 PHE CB . 34627 1 303 . 1 . 1 41 41 PHE N N 15 121.974 0.177 . 1 . . 255 . A 66 PHE N . 34627 1 304 . 1 . 1 44 44 SER HA H 1 4.447 0.013 . 1 . . 266 . A 69 SER HA . 34627 1 305 . 1 . 1 44 44 SER HB2 H 1 3.863 0.022 . 2 . . 269 . A 69 SER HB2 . 34627 1 306 . 1 . 1 44 44 SER HB3 H 1 3.863 0.021 . 2 . . 268 . A 69 SER HB3 . 34627 1 307 . 1 . 1 44 44 SER C C 13 174.638 . . 1 . . 270 . A 69 SER C . 34627 1 308 . 1 . 1 44 44 SER CA C 13 58.523 0.185 . 1 . . 265 . A 69 SER CA . 34627 1 309 . 1 . 1 44 44 SER CB C 13 63.768 0.102 . 1 . . 267 . A 69 SER CB . 34627 1 310 . 1 . 1 45 45 LEU H H 1 7.931 0.012 . 1 . . 272 . A 70 LEU H . 34627 1 311 . 1 . 1 45 45 LEU HA H 1 4.236 0.019 . 1 . . 274 . A 70 LEU HA . 34627 1 312 . 1 . 1 45 45 LEU HB2 H 1 1.312 0.02 . 2 . . 277 . A 70 LEU HB2 . 34627 1 313 . 1 . 1 45 45 LEU HB3 H 1 1.453 0.025 . 2 . . 276 . A 70 LEU HB3 . 34627 1 314 . 1 . 1 45 45 LEU HG H 1 1.409 0.017 . 1 . . 279 . A 70 LEU HG . 34627 1 315 . 1 . 1 45 45 LEU HD11 H 1 0.810 0.018 . 2 . . 281 . A 70 LEU HD11 . 34627 1 316 . 1 . 1 45 45 LEU HD12 H 1 0.810 0.018 . 2 . . 281 . A 70 LEU HD12 . 34627 1 317 . 1 . 1 45 45 LEU HD13 H 1 0.810 0.018 . 2 . . 281 . A 70 LEU HD13 . 34627 1 318 . 1 . 1 45 45 LEU HD21 H 1 0.757 0.034 . 2 . . 283 . A 70 LEU HD21 . 34627 1 319 . 1 . 1 45 45 LEU HD22 H 1 0.757 0.034 . 2 . . 283 . A 70 LEU HD22 . 34627 1 320 . 1 . 1 45 45 LEU HD23 H 1 0.757 0.034 . 2 . . 283 . A 70 LEU HD23 . 34627 1 321 . 1 . 1 45 45 LEU C C 13 176.902 . . 1 . . 284 . A 70 LEU C . 34627 1 322 . 1 . 1 45 45 LEU CA C 13 55.584 0.074 . 1 . . 273 . A 70 LEU CA . 34627 1 323 . 1 . 1 45 45 LEU CB C 13 42.075 0.17 . 1 . . 275 . A 70 LEU CB . 34627 1 324 . 1 . 1 45 45 LEU CG C 13 27.187 0.283 . 1 . . 278 . A 70 LEU CG . 34627 1 325 . 1 . 1 45 45 LEU CD1 C 13 24.087 0.0 . 2 . . 280 . A 70 LEU CD1 . 34627 1 326 . 1 . 1 45 45 LEU CD2 C 13 23.572 . . 2 . . 282 . A 70 LEU CD2 . 34627 1 327 . 1 . 1 45 45 LEU N N 15 122.686 0.055 . 1 . . 271 . A 70 LEU N . 34627 1 328 . 1 . 1 46 46 PHE H H 1 7.943 0.019 . 1 . . 286 . A 71 PHE H . 34627 1 329 . 1 . 1 46 46 PHE HA H 1 4.633 0.014 . 1 . . 288 . A 71 PHE HA . 34627 1 330 . 1 . 1 46 46 PHE HB2 H 1 2.958 0.02 . 2 . . 291 . A 71 PHE HB2 . 34627 1 331 . 1 . 1 46 46 PHE HB3 H 1 3.192 0.001 . 2 . . 290 . A 71 PHE HB3 . 34627 1 332 . 1 . 1 46 46 PHE HD1 H 1 7.210 0.004 . 1 . . 293 . A 71 PHE HD1 . 34627 1 333 . 1 . 1 46 46 PHE HD2 H 1 7.210 0.004 . 1 . . 293 . A 71 PHE HD2 . 34627 1 334 . 1 . 1 46 46 PHE HE1 H 1 7.298 0.0 . 1 . . 292 . A 71 PHE HE1 . 34627 1 335 . 1 . 1 46 46 PHE HE2 H 1 7.298 0.0 . 1 . . 292 . A 71 PHE HE2 . 34627 1 336 . 1 . 1 46 46 PHE C C 13 176.147 0.0 . 1 . . 294 . A 71 PHE C . 34627 1 337 . 1 . 1 46 46 PHE CA C 13 57.773 0.0 . 1 . . 287 . A 71 PHE CA . 34627 1 338 . 1 . 1 46 46 PHE CB C 13 39.573 0.171 . 1 . . 289 . A 71 PHE CB . 34627 1 339 . 1 . 1 46 46 PHE N N 15 118.688 0.061 . 1 . . 285 . A 71 PHE N . 34627 1 340 . 1 . 1 47 47 GLY H H 1 8.106 0.003 . 1 . . 296 . A 72 GLY H . 34627 1 341 . 1 . 1 47 47 GLY HA2 H 1 3.910 0.015 . 1 . . 299 . A 72 GLY HA2 . 34627 1 342 . 1 . 1 47 47 GLY HA3 H 1 3.910 0.015 . 1 . . 298 . A 72 GLY HA3 . 34627 1 343 . 1 . 1 47 47 GLY C C 13 173.551 0.0 . 1 . . 300 . A 72 GLY C . 34627 1 344 . 1 . 1 47 47 GLY CA C 13 45.506 0.024 . 1 . . 297 . A 72 GLY CA . 34627 1 345 . 1 . 1 47 47 GLY N N 15 109.643 0.018 . 1 . . 295 . A 72 GLY N . 34627 1 346 . 1 . 1 48 48 VAL H H 1 7.743 0.02 . 1 . . 302 . A 73 VAL H . 34627 1 347 . 1 . 1 48 48 VAL HA H 1 4.096 0.028 . 1 . . 304 . A 73 VAL HA . 34627 1 348 . 1 . 1 48 48 VAL HB H 1 1.999 0.021 . 1 . . 306 . A 73 VAL HB . 34627 1 349 . 1 . 1 48 48 VAL HG11 H 1 0.837 0.018 . 2 . . 310 . A 73 VAL HG11 . 34627 1 350 . 1 . 1 48 48 VAL HG12 H 1 0.837 0.018 . 2 . . 310 . A 73 VAL HG12 . 34627 1 351 . 1 . 1 48 48 VAL HG13 H 1 0.837 0.018 . 2 . . 310 . A 73 VAL HG13 . 34627 1 352 . 1 . 1 48 48 VAL HG21 H 1 0.923 0.023 . 2 . . 308 . A 73 VAL HG21 . 34627 1 353 . 1 . 1 48 48 VAL HG22 H 1 0.923 0.023 . 2 . . 308 . A 73 VAL HG22 . 34627 1 354 . 1 . 1 48 48 VAL HG23 H 1 0.923 0.023 . 2 . . 308 . A 73 VAL HG23 . 34627 1 355 . 1 . 1 48 48 VAL C C 13 175.291 0.0 . 1 . . 311 . A 73 VAL C . 34627 1 356 . 1 . 1 48 48 VAL CA C 13 62.251 0.127 . 1 . . 303 . A 73 VAL CA . 34627 1 357 . 1 . 1 48 48 VAL CB C 13 33.004 0.148 . 1 . . 305 . A 73 VAL CB . 34627 1 358 . 1 . 1 48 48 VAL CG1 C 13 21.383 0.0 . 2 . . 309 . A 73 VAL CG1 . 34627 1 359 . 1 . 1 48 48 VAL CG2 C 13 20.494 . . 2 . . 307 . A 73 VAL CG2 . 34627 1 360 . 1 . 1 48 48 VAL N N 15 118.615 0.054 . 1 . . 301 . A 73 VAL N . 34627 1 361 . 1 . 1 49 49 TYR H H 1 8.235 0.025 . 1 . . 313 . A 74 TYR H . 34627 1 362 . 1 . 1 49 49 TYR HA H 1 4.645 0.01 . 1 . . 315 . A 74 TYR HA . 34627 1 363 . 1 . 1 49 49 TYR HB2 H 1 2.877 0.021 . 2 . . 318 . A 74 TYR HB2 . 34627 1 364 . 1 . 1 49 49 TYR HB3 H 1 2.877 0.022 . 2 . . 317 . A 74 TYR HB3 . 34627 1 365 . 1 . 1 49 49 TYR HD1 H 1 7.026 0.002 . 1 . . 320 . A 74 TYR HD1 . 34627 1 366 . 1 . 1 49 49 TYR HD2 H 1 7.026 0.002 . 1 . . 320 . A 74 TYR HD2 . 34627 1 367 . 1 . 1 49 49 TYR HE1 H 1 6.752 . . 1 . . 319 . A 74 TYR HE1 . 34627 1 368 . 1 . 1 49 49 TYR HE2 H 1 6.752 . . 1 . . 319 . A 74 TYR HE2 . 34627 1 369 . 1 . 1 49 49 TYR C C 13 174.751 . . 1 . . 321 . A 74 TYR C . 34627 1 370 . 1 . 1 49 49 TYR CA C 13 57.784 . . 1 . . 314 . A 74 TYR CA . 34627 1 371 . 1 . 1 49 49 TYR CB C 13 39.106 0.155 . 1 . . 316 . A 74 TYR CB . 34627 1 372 . 1 . 1 49 49 TYR N N 15 123.869 0.278 . 1 . . 312 . A 74 TYR N . 34627 1 373 . 1 . 1 50 50 VAL H H 1 7.913 0.01 . 1 . . 323 . A 75 VAL H . 34627 1 374 . 1 . 1 50 50 VAL HA H 1 4.297 0.012 . 1 . . 325 . A 75 VAL HA . 34627 1 375 . 1 . 1 50 50 VAL HB H 1 1.957 0.019 . 1 . . 327 . A 75 VAL HB . 34627 1 376 . 1 . 1 50 50 VAL HG11 H 1 0.841 0.01 . 2 . . 331 . A 75 VAL HG11 . 34627 1 377 . 1 . 1 50 50 VAL HG12 H 1 0.841 0.01 . 2 . . 331 . A 75 VAL HG12 . 34627 1 378 . 1 . 1 50 50 VAL HG13 H 1 0.841 0.01 . 2 . . 331 . A 75 VAL HG13 . 34627 1 379 . 1 . 1 50 50 VAL HG21 H 1 0.852 0.024 . 2 . . 329 . A 75 VAL HG21 . 34627 1 380 . 1 . 1 50 50 VAL HG22 H 1 0.852 0.024 . 2 . . 329 . A 75 VAL HG22 . 34627 1 381 . 1 . 1 50 50 VAL HG23 H 1 0.852 0.024 . 2 . . 329 . A 75 VAL HG23 . 34627 1 382 . 1 . 1 50 50 VAL C C 13 173.602 . . 1 . . 332 . A 75 VAL C . 34627 1 383 . 1 . 1 50 50 VAL CA C 13 59.122 0.061 . 1 . . 324 . A 75 VAL CA . 34627 1 384 . 1 . 1 50 50 VAL CB C 13 33.139 0.102 . 1 . . 326 . A 75 VAL CB . 34627 1 385 . 1 . 1 50 50 VAL CG1 C 13 21.416 . . 2 . . 330 . A 75 VAL CG1 . 34627 1 386 . 1 . 1 50 50 VAL CG2 C 13 21.091 0.0 . 2 . . 328 . A 75 VAL CG2 . 34627 1 387 . 1 . 1 50 50 VAL N N 15 125.142 0.05 . 1 . . 322 . A 75 VAL N . 34627 1 388 . 1 . 1 51 51 PRO HA H 1 4.242 0.015 . 1 . . 334 . A 76 PRO HA . 34627 1 389 . 1 . 1 51 51 PRO HB2 H 1 2.268 0.015 . 2 . . 337 . A 76 PRO HB2 . 34627 1 390 . 1 . 1 51 51 PRO HB3 H 1 2.276 0.022 . 2 . . 336 . A 76 PRO HB3 . 34627 1 391 . 1 . 1 51 51 PRO HG2 H 1 1.995 0.025 . 2 . . 340 . A 76 PRO HG2 . 34627 1 392 . 1 . 1 51 51 PRO HG3 H 1 1.907 0.005 . 2 . . 339 . A 76 PRO HG3 . 34627 1 393 . 1 . 1 51 51 PRO HD2 H 1 3.586 0.021 . 2 . . 343 . A 76 PRO HD2 . 34627 1 394 . 1 . 1 51 51 PRO HD3 H 1 3.575 0.014 . 2 . . 342 . A 76 PRO HD3 . 34627 1 395 . 1 . 1 51 51 PRO C C 13 176.575 . . 1 . . 344 . A 76 PRO C . 34627 1 396 . 1 . 1 51 51 PRO CA C 13 63.056 0.002 . 1 . . 333 . A 76 PRO CA . 34627 1 397 . 1 . 1 51 51 PRO CB C 13 32.092 0.034 . 1 . . 335 . A 76 PRO CB . 34627 1 398 . 1 . 1 51 51 PRO CG C 13 27.441 0.035 . 1 . . 338 . A 76 PRO CG . 34627 1 399 . 1 . 1 51 51 PRO CD C 13 50.772 0.048 . 1 . . 341 . A 76 PRO CD . 34627 1 400 . 1 . 1 52 52 ALA H H 1 8.211 0.009 . 1 . . 346 . A 77 ALA H . 34627 1 401 . 1 . 1 52 52 ALA HA H 1 4.238 0.022 . 1 . . 348 . A 77 ALA HA . 34627 1 402 . 1 . 1 52 52 ALA HB1 H 1 1.364 0.027 . 1 . . 350 . A 77 ALA HB1 . 34627 1 403 . 1 . 1 52 52 ALA HB2 H 1 1.364 0.027 . 1 . . 350 . A 77 ALA HB2 . 34627 1 404 . 1 . 1 52 52 ALA HB3 H 1 1.364 0.027 . 1 . . 350 . A 77 ALA HB3 . 34627 1 405 . 1 . 1 52 52 ALA C C 13 177.453 . . 1 . . 351 . A 77 ALA C . 34627 1 406 . 1 . 1 52 52 ALA CA C 13 52.878 0.033 . 1 . . 347 . A 77 ALA CA . 34627 1 407 . 1 . 1 52 52 ALA CB C 13 19.371 0.041 . 1 . . 349 . A 77 ALA CB . 34627 1 408 . 1 . 1 52 52 ALA N N 15 123.531 0.053 . 1 . . 345 . A 77 ALA N . 34627 1 409 . 1 . 1 53 53 ASP H H 1 8.190 0.025 . 1 . . 353 . A 78 ASP H . 34627 1 410 . 1 . 1 53 53 ASP HA H 1 4.568 . . 1 . . 355 . A 78 ASP HA . 34627 1 411 . 1 . 1 53 53 ASP HB2 H 1 2.627 0.017 . 2 . . 358 . A 78 ASP HB2 . 34627 1 412 . 1 . 1 53 53 ASP HB3 H 1 2.662 0.024 . 2 . . 357 . A 78 ASP HB3 . 34627 1 413 . 1 . 1 53 53 ASP C C 13 176.076 0.0 . 1 . . 359 . A 78 ASP C . 34627 1 414 . 1 . 1 53 53 ASP CA C 13 53.958 0.0 . 1 . . 354 . A 78 ASP CA . 34627 1 415 . 1 . 1 53 53 ASP CB C 13 41.080 0.101 . 1 . . 356 . A 78 ASP CB . 34627 1 416 . 1 . 1 53 53 ASP N N 15 117.971 0.217 . 1 . . 352 . A 78 ASP N . 34627 1 417 . 1 . 1 54 54 LEU H H 1 7.941 0.012 . 1 . . 361 . A 79 LEU H . 34627 1 418 . 1 . 1 54 54 LEU HA H 1 4.314 0.02 . 1 . . 363 . A 79 LEU HA . 34627 1 419 . 1 . 1 54 54 LEU HB2 H 1 1.580 0.026 . 2 . . 366 . A 79 LEU HB2 . 34627 1 420 . 1 . 1 54 54 LEU HB3 H 1 1.597 0.013 . 2 . . 365 . A 79 LEU HB3 . 34627 1 421 . 1 . 1 54 54 LEU HG H 1 1.620 0.03 . 1 . . 368 . A 79 LEU HG . 34627 1 422 . 1 . 1 54 54 LEU HD11 H 1 0.943 0.019 . 2 . . 370 . A 79 LEU HD11 . 34627 1 423 . 1 . 1 54 54 LEU HD12 H 1 0.943 0.019 . 2 . . 370 . A 79 LEU HD12 . 34627 1 424 . 1 . 1 54 54 LEU HD13 H 1 0.943 0.019 . 2 . . 370 . A 79 LEU HD13 . 34627 1 425 . 1 . 1 54 54 LEU HD21 H 1 0.836 0.012 . 2 . . 372 . A 79 LEU HD21 . 34627 1 426 . 1 . 1 54 54 LEU HD22 H 1 0.836 0.012 . 2 . . 372 . A 79 LEU HD22 . 34627 1 427 . 1 . 1 54 54 LEU HD23 H 1 0.836 0.012 . 2 . . 372 . A 79 LEU HD23 . 34627 1 428 . 1 . 1 54 54 LEU C C 13 176.760 . . 1 . . 373 . A 79 LEU C . 34627 1 429 . 1 . 1 54 54 LEU CA C 13 55.505 0.234 . 1 . . 362 . A 79 LEU CA . 34627 1 430 . 1 . 1 54 54 LEU CB C 13 42.076 0.123 . 1 . . 364 . A 79 LEU CB . 34627 1 431 . 1 . 1 54 54 LEU CG C 13 27.226 0.194 . 1 . . 367 . A 79 LEU CG . 34627 1 432 . 1 . 1 54 54 LEU CD1 C 13 24.659 0.0 . 2 . . 369 . A 79 LEU CD1 . 34627 1 433 . 1 . 1 54 54 LEU CD2 C 13 23.781 . . 2 . . 371 . A 79 LEU CD2 . 34627 1 434 . 1 . 1 54 54 LEU N N 15 121.673 0.069 . 1 . . 360 . A 79 LEU N . 34627 1 435 . 1 . 1 55 55 ASN H H 1 8.330 0.006 . 1 . . 375 . A 80 ASN H . 34627 1 436 . 1 . 1 55 55 ASN HA H 1 4.656 0.01 . 1 . . 377 . A 80 ASN HA . 34627 1 437 . 1 . 1 55 55 ASN HB2 H 1 2.757 0.006 . 2 . . 380 . A 80 ASN HB2 . 34627 1 438 . 1 . 1 55 55 ASN HB3 H 1 2.868 0.02 . 2 . . 379 . A 80 ASN HB3 . 34627 1 439 . 1 . 1 55 55 ASN C C 13 175.336 0.0 . 1 . . 381 . A 80 ASN C . 34627 1 440 . 1 . 1 55 55 ASN CA C 13 53.094 0.0 . 1 . . 376 . A 80 ASN CA . 34627 1 441 . 1 . 1 55 55 ASN CB C 13 39.061 0.022 . 1 . . 378 . A 80 ASN CB . 34627 1 442 . 1 . 1 55 55 ASN N N 15 119.226 0.067 . 1 . . 374 . A 80 ASN N . 34627 1 443 . 1 . 1 56 56 GLU H H 1 8.414 0.029 . 1 . . 383 . A 81 GLU H . 34627 1 444 . 1 . 1 56 56 GLU HA H 1 4.231 0.026 . 1 . . 385 . A 81 GLU HA . 34627 1 445 . 1 . 1 56 56 GLU HB2 H 1 1.932 0.027 . 2 . . 388 . A 81 GLU HB2 . 34627 1 446 . 1 . 1 56 56 GLU HB3 H 1 2.047 0.024 . 2 . . 387 . A 81 GLU HB3 . 34627 1 447 . 1 . 1 56 56 GLU HG2 H 1 2.237 0.006 . 2 . . 391 . A 81 GLU HG2 . 34627 1 448 . 1 . 1 56 56 GLU HG3 H 1 2.236 0.008 . 2 . . 390 . A 81 GLU HG3 . 34627 1 449 . 1 . 1 56 56 GLU C C 13 176.327 . . 1 . . 392 . A 81 GLU C . 34627 1 450 . 1 . 1 56 56 GLU CA C 13 57.082 0.232 . 1 . . 384 . A 81 GLU CA . 34627 1 451 . 1 . 1 56 56 GLU CB C 13 30.291 0.122 . 1 . . 386 . A 81 GLU CB . 34627 1 452 . 1 . 1 56 56 GLU CG C 13 36.329 0.053 . 1 . . 389 . A 81 GLU CG . 34627 1 453 . 1 . 1 56 56 GLU N N 15 121.066 0.048 . 1 . . 382 . A 81 GLU N . 34627 1 454 . 1 . 1 57 57 ASP H H 1 8.249 0.011 . 1 . . 394 . A 82 ASP H . 34627 1 455 . 1 . 1 57 57 ASP HA H 1 4.527 0.021 . 1 . . 396 . A 82 ASP HA . 34627 1 456 . 1 . 1 57 57 ASP HB2 H 1 2.610 0.0 . 2 . . 399 . A 82 ASP HB2 . 34627 1 457 . 1 . 1 57 57 ASP HB3 H 1 2.690 0.004 . 2 . . 398 . A 82 ASP HB3 . 34627 1 458 . 1 . 1 57 57 ASP C C 13 176.288 0.0 . 1 . . 400 . A 82 ASP C . 34627 1 459 . 1 . 1 57 57 ASP CA C 13 54.955 0.0 . 1 . . 395 . A 82 ASP CA . 34627 1 460 . 1 . 1 57 57 ASP CB C 13 41.106 0.049 . 1 . . 397 . A 82 ASP CB . 34627 1 461 . 1 . 1 57 57 ASP N N 15 119.774 0.343 . 1 . . 393 . A 82 ASP N . 34627 1 462 . 1 . 1 58 58 ASN H H 1 8.177 0.006 . 1 . . 402 . A 83 ASN H . 34627 1 463 . 1 . 1 58 58 ASN HA H 1 4.656 0.011 . 1 . . 404 . A 83 ASN HA . 34627 1 464 . 1 . 1 58 58 ASN HB2 H 1 2.752 0.003 . 2 . . 407 . A 83 ASN HB2 . 34627 1 465 . 1 . 1 58 58 ASN HB3 H 1 2.863 0.019 . 2 . . 406 . A 83 ASN HB3 . 34627 1 466 . 1 . 1 58 58 ASN C C 13 175.038 0.0 . 1 . . 408 . A 83 ASN C . 34627 1 467 . 1 . 1 58 58 ASN CA C 13 53.628 . . 1 . . 403 . A 83 ASN CA . 34627 1 468 . 1 . 1 58 58 ASN CB C 13 39.063 0.023 . 1 . . 405 . A 83 ASN CB . 34627 1 469 . 1 . 1 58 58 ASN N N 15 117.882 0.044 . 1 . . 401 . A 83 ASN N . 34627 1 470 . 1 . 1 59 59 VAL H H 1 7.800 0.023 . 1 . . 410 . A 84 VAL H . 34627 1 471 . 1 . 1 59 59 VAL HA H 1 4.077 0.019 . 1 . . 412 . A 84 VAL HA . 34627 1 472 . 1 . 1 59 59 VAL HB H 1 2.009 0.032 . 1 . . 414 . A 84 VAL HB . 34627 1 473 . 1 . 1 59 59 VAL HG11 H 1 0.872 0.042 . 2 . . 418 . A 84 VAL HG11 . 34627 1 474 . 1 . 1 59 59 VAL HG12 H 1 0.872 0.042 . 2 . . 418 . A 84 VAL HG12 . 34627 1 475 . 1 . 1 59 59 VAL HG13 H 1 0.872 0.042 . 2 . . 418 . A 84 VAL HG13 . 34627 1 476 . 1 . 1 59 59 VAL HG21 H 1 0.965 0.035 . 2 . . 416 . A 84 VAL HG21 . 34627 1 477 . 1 . 1 59 59 VAL HG22 H 1 0.965 0.035 . 2 . . 416 . A 84 VAL HG22 . 34627 1 478 . 1 . 1 59 59 VAL HG23 H 1 0.965 0.035 . 2 . . 416 . A 84 VAL HG23 . 34627 1 479 . 1 . 1 59 59 VAL C C 13 175.967 0.0 . 1 . . 419 . A 84 VAL C . 34627 1 480 . 1 . 1 59 59 VAL CA C 13 62.250 0.119 . 1 . . 411 . A 84 VAL CA . 34627 1 481 . 1 . 1 59 59 VAL CB C 13 33.117 0.232 . 1 . . 413 . A 84 VAL CB . 34627 1 482 . 1 . 1 59 59 VAL CG1 C 13 21.032 . . 2 . . 417 . A 84 VAL CG1 . 34627 1 483 . 1 . 1 59 59 VAL CG2 C 13 21.129 . . 2 . . 415 . A 84 VAL CG2 . 34627 1 484 . 1 . 1 59 59 VAL N N 15 120.046 0.023 . 1 . . 409 . A 84 VAL N . 34627 1 485 . 1 . 1 60 60 LYS H H 1 8.281 0.021 . 1 . . 421 . A 85 LYS H . 34627 1 486 . 1 . 1 60 60 LYS HA H 1 4.341 0.005 . 1 . . 423 . A 85 LYS HA . 34627 1 487 . 1 . 1 60 60 LYS HB2 H 1 1.763 0.02 . 2 . . 426 . A 85 LYS HB2 . 34627 1 488 . 1 . 1 60 60 LYS HB3 H 1 1.809 0.023 . 2 . . 425 . A 85 LYS HB3 . 34627 1 489 . 1 . 1 60 60 LYS HG2 H 1 1.452 0.018 . 2 . . 429 . A 85 LYS HG2 . 34627 1 490 . 1 . 1 60 60 LYS HG3 H 1 1.389 0.033 . 2 . . 428 . A 85 LYS HG3 . 34627 1 491 . 1 . 1 60 60 LYS HD2 H 1 1.676 0.024 . 2 . . 432 . A 85 LYS HD2 . 34627 1 492 . 1 . 1 60 60 LYS HD3 H 1 1.693 0.014 . 2 . . 431 . A 85 LYS HD3 . 34627 1 493 . 1 . 1 60 60 LYS HE2 H 1 2.964 0.011 . 2 . . 435 . A 85 LYS HE2 . 34627 1 494 . 1 . 1 60 60 LYS HE3 H 1 2.978 0.013 . 2 . . 434 . A 85 LYS HE3 . 34627 1 495 . 1 . 1 60 60 LYS C C 13 176.237 0.0 . 1 . . 436 . A 85 LYS C . 34627 1 496 . 1 . 1 60 60 LYS CA C 13 56.228 0.052 . 1 . . 422 . A 85 LYS CA . 34627 1 497 . 1 . 1 60 60 LYS CB C 13 33.257 0.088 . 1 . . 424 . A 85 LYS CB . 34627 1 498 . 1 . 1 60 60 LYS CG C 13 24.703 0.176 . 1 . . 427 . A 85 LYS CG . 34627 1 499 . 1 . 1 60 60 LYS CD C 13 29.174 0.042 . 1 . . 430 . A 85 LYS CD . 34627 1 500 . 1 . 1 60 60 LYS CE C 13 41.957 0.118 . 1 . . 433 . A 85 LYS CE . 34627 1 501 . 1 . 1 60 60 LYS N N 15 125.542 0.036 . 1 . . 420 . A 85 LYS N . 34627 1 502 . 1 . 1 61 61 GLN H H 1 8.313 0.003 . 1 . . 438 . A 86 GLN H . 34627 1 503 . 1 . 1 61 61 GLN HA H 1 4.404 0.02 . 1 . . 440 . A 86 GLN HA . 34627 1 504 . 1 . 1 61 61 GLN HB2 H 1 2.019 0.023 . 2 . . 443 . A 86 GLN HB2 . 34627 1 505 . 1 . 1 61 61 GLN HB3 H 1 2.027 0.007 . 2 . . 442 . A 86 GLN HB3 . 34627 1 506 . 1 . 1 61 61 GLN HG2 H 1 2.407 0.008 . 2 . . 446 . A 86 GLN HG2 . 34627 1 507 . 1 . 1 61 61 GLN HG3 H 1 2.400 0.008 . 2 . . 445 . A 86 GLN HG3 . 34627 1 508 . 1 . 1 61 61 GLN C C 13 176.372 0.0 . 1 . . 447 . A 86 GLN C . 34627 1 509 . 1 . 1 61 61 GLN CA C 13 56.089 0.034 . 1 . . 439 . A 86 GLN CA . 34627 1 510 . 1 . 1 61 61 GLN CB C 13 29.303 0.028 . 1 . . 441 . A 86 GLN CB . 34627 1 511 . 1 . 1 61 61 GLN CG C 13 34.025 0.0 . 1 . . 444 . A 86 GLN CG . 34627 1 512 . 1 . 1 61 61 GLN N N 15 121.146 0.136 . 1 . . 437 . A 86 GLN N . 34627 1 513 . 1 . 1 62 62 SER H H 1 8.709 0.008 . 1 . . 449 . A 87 SER H . 34627 1 514 . 1 . 1 62 62 SER C C 13 175.719 . . 1 . . 450 . A 87 SER C . 34627 1 515 . 1 . 1 62 62 SER N N 15 117.574 . . 1 . . 448 . A 87 SER N . 34627 1 516 . 1 . 1 63 63 MET HA H 1 4.642 0.008 . 1 . . 452 . A 88 MET HA . 34627 1 517 . 1 . 1 63 63 MET HB2 H 1 2.533 0.022 . 2 . . 455 . A 88 MET HB2 . 34627 1 518 . 1 . 1 63 63 MET HB3 H 1 2.649 0.0 . 2 . . 454 . A 88 MET HB3 . 34627 1 519 . 1 . 1 63 63 MET HG2 H 1 1.924 0.021 . 2 . . 458 . A 88 MET HG2 . 34627 1 520 . 1 . 1 63 63 MET HG3 H 1 2.225 0.033 . 2 . . 457 . A 88 MET HG3 . 34627 1 521 . 1 . 1 63 63 MET CA C 13 54.972 0.0 . 1 . . 451 . A 88 MET CA . 34627 1 522 . 1 . 1 63 63 MET CB C 13 32.263 0.019 . 1 . . 453 . A 88 MET CB . 34627 1 523 . 1 . 1 63 63 MET CG C 13 32.116 0.233 . 1 . . 456 . A 88 MET CG . 34627 1 524 . 1 . 1 64 64 LEU H H 1 8.150 0.019 . 1 . . 460 . A 89 LEU H . 34627 1 525 . 1 . 1 64 64 LEU HA H 1 4.213 0.02 . 1 . . 462 . A 89 LEU HA . 34627 1 526 . 1 . 1 64 64 LEU HB2 H 1 1.419 0.036 . 2 . . 465 . A 89 LEU HB2 . 34627 1 527 . 1 . 1 64 64 LEU HB3 H 1 1.615 0.011 . 2 . . 464 . A 89 LEU HB3 . 34627 1 528 . 1 . 1 64 64 LEU HG H 1 1.623 0.015 . 1 . . 467 . A 89 LEU HG . 34627 1 529 . 1 . 1 64 64 LEU HD11 H 1 0.805 0.024 . 2 . . 469 . A 89 LEU HD11 . 34627 1 530 . 1 . 1 64 64 LEU HD12 H 1 0.805 0.024 . 2 . . 469 . A 89 LEU HD12 . 34627 1 531 . 1 . 1 64 64 LEU HD13 H 1 0.805 0.024 . 2 . . 469 . A 89 LEU HD13 . 34627 1 532 . 1 . 1 64 64 LEU HD21 H 1 0.813 0.019 . 2 . . 471 . A 89 LEU HD21 . 34627 1 533 . 1 . 1 64 64 LEU HD22 H 1 0.813 0.019 . 2 . . 471 . A 89 LEU HD22 . 34627 1 534 . 1 . 1 64 64 LEU HD23 H 1 0.813 0.019 . 2 . . 471 . A 89 LEU HD23 . 34627 1 535 . 1 . 1 64 64 LEU CA C 13 55.595 0.084 . 1 . . 461 . A 89 LEU CA . 34627 1 536 . 1 . 1 64 64 LEU CB C 13 43.454 0.035 . 1 . . 463 . A 89 LEU CB . 34627 1 537 . 1 . 1 64 64 LEU CG C 13 27.069 0.032 . 1 . . 466 . A 89 LEU CG . 34627 1 538 . 1 . 1 64 64 LEU CD1 C 13 23.803 0.0 . 2 . . 468 . A 89 LEU CD1 . 34627 1 539 . 1 . 1 64 64 LEU CD2 C 13 25.094 0.0 . 2 . . 470 . A 89 LEU CD2 . 34627 1 540 . 1 . 1 64 64 LEU N N 15 121.488 0.031 . 1 . . 459 . A 89 LEU N . 34627 1 541 . 1 . 1 65 65 ASN HA H 1 4.797 0.002 . 1 . . 473 . A 90 ASN HA . 34627 1 542 . 1 . 1 65 65 ASN HB2 H 1 2.768 0.018 . 2 . . 476 . A 90 ASN HB2 . 34627 1 543 . 1 . 1 65 65 ASN HB3 H 1 2.894 0.008 . 2 . . 475 . A 90 ASN HB3 . 34627 1 544 . 1 . 1 65 65 ASN C C 13 174.661 0.0 . 1 . . 477 . A 90 ASN C . 34627 1 545 . 1 . 1 65 65 ASN CA C 13 53.253 0.086 . 1 . . 472 . A 90 ASN CA . 34627 1 546 . 1 . 1 65 65 ASN CB C 13 37.591 0.037 . 1 . . 474 . A 90 ASN CB . 34627 1 547 . 1 . 1 66 66 VAL H H 1 7.405 0.013 . 1 . . 479 . A 91 VAL H . 34627 1 548 . 1 . 1 66 66 VAL HA H 1 4.681 0.013 . 1 . . 481 . A 91 VAL HA . 34627 1 549 . 1 . 1 66 66 VAL HB H 1 1.950 0.011 . 1 . . 483 . A 91 VAL HB . 34627 1 550 . 1 . 1 66 66 VAL HG11 H 1 0.823 0.02 . 2 . . 487 . A 91 VAL HG11 . 34627 1 551 . 1 . 1 66 66 VAL HG12 H 1 0.823 0.02 . 2 . . 487 . A 91 VAL HG12 . 34627 1 552 . 1 . 1 66 66 VAL HG13 H 1 0.823 0.02 . 2 . . 487 . A 91 VAL HG13 . 34627 1 553 . 1 . 1 66 66 VAL HG21 H 1 0.827 0.021 . 2 . . 485 . A 91 VAL HG21 . 34627 1 554 . 1 . 1 66 66 VAL HG22 H 1 0.827 0.021 . 2 . . 485 . A 91 VAL HG22 . 34627 1 555 . 1 . 1 66 66 VAL HG23 H 1 0.827 0.021 . 2 . . 485 . A 91 VAL HG23 . 34627 1 556 . 1 . 1 66 66 VAL C C 13 174.796 . . 1 . . 488 . A 91 VAL C . 34627 1 557 . 1 . 1 66 66 VAL CA C 13 59.568 0.502 . 1 . . 480 . A 91 VAL CA . 34627 1 558 . 1 . 1 66 66 VAL CB C 13 34.370 0.18 . 1 . . 482 . A 91 VAL CB . 34627 1 559 . 1 . 1 66 66 VAL CG1 C 13 21.782 0.0 . 2 . . 486 . A 91 VAL CG1 . 34627 1 560 . 1 . 1 66 66 VAL CG2 C 13 21.144 . . 2 . . 484 . A 91 VAL CG2 . 34627 1 561 . 1 . 1 66 66 VAL N N 15 111.969 0.026 . 1 . . 478 . A 91 VAL N . 34627 1 562 . 1 . 1 67 67 THR H H 1 8.474 0.002 . 1 . . 490 . A 92 THR H . 34627 1 563 . 1 . 1 67 67 THR HA H 1 4.542 0.004 . 1 . . 492 . A 92 THR HA . 34627 1 564 . 1 . 1 67 67 THR HB H 1 3.870 0.013 . 1 . . 494 . A 92 THR HB . 34627 1 565 . 1 . 1 67 67 THR HG21 H 1 1.123 0.004 . 1 . . 496 . A 92 THR HG21 . 34627 1 566 . 1 . 1 67 67 THR HG22 H 1 1.123 0.004 . 1 . . 496 . A 92 THR HG22 . 34627 1 567 . 1 . 1 67 67 THR HG23 H 1 1.123 0.004 . 1 . . 496 . A 92 THR HG23 . 34627 1 568 . 1 . 1 67 67 THR C C 13 173.310 0.0 . 1 . . 497 . A 92 THR C . 34627 1 569 . 1 . 1 67 67 THR CA C 13 61.367 . . 1 . . 491 . A 92 THR CA . 34627 1 570 . 1 . 1 67 67 THR CB C 13 71.618 0.059 . 1 . . 493 . A 92 THR CB . 34627 1 571 . 1 . 1 67 67 THR CG2 C 13 21.513 0.053 . 1 . . 495 . A 92 THR CG2 . 34627 1 572 . 1 . 1 67 67 THR N N 15 115.416 0.008 . 1 . . 489 . A 92 THR N . 34627 1 573 . 1 . 1 68 68 LEU H H 1 9.157 0.002 . 1 . . 499 . A 93 LEU H . 34627 1 574 . 1 . 1 68 68 LEU HA H 1 4.452 0.018 . 1 . . 501 . A 93 LEU HA . 34627 1 575 . 1 . 1 68 68 LEU HB2 H 1 1.762 0.002 . 2 . . 504 . A 93 LEU HB2 . 34627 1 576 . 1 . 1 68 68 LEU HB3 H 1 1.237 0.028 . 2 . . 503 . A 93 LEU HB3 . 34627 1 577 . 1 . 1 68 68 LEU HG H 1 1.399 0.02 . 1 . . 506 . A 93 LEU HG . 34627 1 578 . 1 . 1 68 68 LEU HD11 H 1 0.671 0.021 . 2 . . 508 . A 93 LEU HD11 . 34627 1 579 . 1 . 1 68 68 LEU HD12 H 1 0.671 0.021 . 2 . . 508 . A 93 LEU HD12 . 34627 1 580 . 1 . 1 68 68 LEU HD13 H 1 0.671 0.021 . 2 . . 508 . A 93 LEU HD13 . 34627 1 581 . 1 . 1 68 68 LEU HD21 H 1 0.796 0.006 . 2 . . 510 . A 93 LEU HD21 . 34627 1 582 . 1 . 1 68 68 LEU HD22 H 1 0.796 0.006 . 2 . . 510 . A 93 LEU HD22 . 34627 1 583 . 1 . 1 68 68 LEU HD23 H 1 0.796 0.006 . 2 . . 510 . A 93 LEU HD23 . 34627 1 584 . 1 . 1 68 68 LEU C C 13 174.481 . . 1 . . 511 . A 93 LEU C . 34627 1 585 . 1 . 1 68 68 LEU CA C 13 55.270 0.066 . 1 . . 500 . A 93 LEU CA . 34627 1 586 . 1 . 1 68 68 LEU CB C 13 42.105 0.19 . 1 . . 502 . A 93 LEU CB . 34627 1 587 . 1 . 1 68 68 LEU CG C 13 27.730 0.352 . 1 . . 505 . A 93 LEU CG . 34627 1 588 . 1 . 1 68 68 LEU CD1 C 13 26.117 . . 2 . . 507 . A 93 LEU CD1 . 34627 1 589 . 1 . 1 68 68 LEU CD2 C 13 25.013 . . 2 . . 509 . A 93 LEU CD2 . 34627 1 590 . 1 . 1 68 68 LEU N N 15 128.929 0.009 . 1 . . 498 . A 93 LEU N . 34627 1 591 . 1 . 1 69 69 VAL H H 1 8.627 0.02 . 1 . . 513 . A 94 VAL H . 34627 1 592 . 1 . 1 69 69 VAL HA H 1 4.052 0.008 . 1 . . 515 . A 94 VAL HA . 34627 1 593 . 1 . 1 69 69 VAL HB H 1 1.768 0.012 . 1 . . 517 . A 94 VAL HB . 34627 1 594 . 1 . 1 69 69 VAL HG11 H 1 0.829 0.017 . 2 . . 521 . A 94 VAL HG11 . 34627 1 595 . 1 . 1 69 69 VAL HG12 H 1 0.829 0.017 . 2 . . 521 . A 94 VAL HG12 . 34627 1 596 . 1 . 1 69 69 VAL HG13 H 1 0.829 0.017 . 2 . . 521 . A 94 VAL HG13 . 34627 1 597 . 1 . 1 69 69 VAL HG21 H 1 0.822 0.02 . 2 . . 519 . A 94 VAL HG21 . 34627 1 598 . 1 . 1 69 69 VAL HG22 H 1 0.822 0.02 . 2 . . 519 . A 94 VAL HG22 . 34627 1 599 . 1 . 1 69 69 VAL HG23 H 1 0.822 0.02 . 2 . . 519 . A 94 VAL HG23 . 34627 1 600 . 1 . 1 69 69 VAL C C 13 176.463 0.0 . 1 . . 522 . A 94 VAL C . 34627 1 601 . 1 . 1 69 69 VAL CA C 13 63.210 0.008 . 1 . . 514 . A 94 VAL CA . 34627 1 602 . 1 . 1 69 69 VAL CB C 13 33.048 0.035 . 1 . . 516 . A 94 VAL CB . 34627 1 603 . 1 . 1 69 69 VAL CG1 C 13 20.924 . . 2 . . 520 . A 94 VAL CG1 . 34627 1 604 . 1 . 1 69 69 VAL CG2 C 13 21.796 0.0 . 2 . . 518 . A 94 VAL CG2 . 34627 1 605 . 1 . 1 69 69 VAL N N 15 124.931 0.032 . 1 . . 512 . A 94 VAL N . 34627 1 606 . 1 . 1 70 70 GLY H H 1 7.343 0.007 . 1 . . 524 . A 95 GLY H . 34627 1 607 . 1 . 1 70 70 GLY HA2 H 1 3.893 0.013 . 2 . . 527 . A 95 GLY HA2 . 34627 1 608 . 1 . 1 70 70 GLY HA3 H 1 4.132 0.006 . 2 . . 526 . A 95 GLY HA3 . 34627 1 609 . 1 . 1 70 70 GLY C C 13 170.247 0.0 . 1 . . 528 . A 95 GLY C . 34627 1 610 . 1 . 1 70 70 GLY CA C 13 45.523 0.034 . 1 . . 525 . A 95 GLY CA . 34627 1 611 . 1 . 1 70 70 GLY N N 15 103.799 0.01 . 1 . . 523 . A 95 GLY N . 34627 1 612 . 1 . 1 71 71 ILE H H 1 8.387 0.002 . 1 . . 530 . A 96 ILE H . 34627 1 613 . 1 . 1 71 71 ILE HA H 1 4.404 0.011 . 1 . . 532 . A 96 ILE HA . 34627 1 614 . 1 . 1 71 71 ILE HB H 1 1.287 0.013 . 1 . . 534 . A 96 ILE HB . 34627 1 615 . 1 . 1 71 71 ILE HG12 H 1 0.810 0.007 . 2 . . 537 . A 96 ILE HG12 . 34627 1 616 . 1 . 1 71 71 ILE HG13 H 1 0.814 0.017 . 2 . . 536 . A 96 ILE HG13 . 34627 1 617 . 1 . 1 71 71 ILE HG21 H 1 0.232 0.001 . 1 . . 541 . A 96 ILE HG21 . 34627 1 618 . 1 . 1 71 71 ILE HG22 H 1 0.232 0.001 . 1 . . 541 . A 96 ILE HG22 . 34627 1 619 . 1 . 1 71 71 ILE HG23 H 1 0.232 0.001 . 1 . . 541 . A 96 ILE HG23 . 34627 1 620 . 1 . 1 71 71 ILE HD11 H 1 0.817 0.016 . 1 . . 539 . A 96 ILE HD11 . 34627 1 621 . 1 . 1 71 71 ILE HD12 H 1 0.817 0.016 . 1 . . 539 . A 96 ILE HD12 . 34627 1 622 . 1 . 1 71 71 ILE HD13 H 1 0.817 0.016 . 1 . . 539 . A 96 ILE HD13 . 34627 1 623 . 1 . 1 71 71 ILE C C 13 174.030 . . 1 . . 542 . A 96 ILE C . 34627 1 624 . 1 . 1 71 71 ILE CA C 13 61.010 0.008 . 1 . . 531 . A 96 ILE CA . 34627 1 625 . 1 . 1 71 71 ILE CB C 13 41.886 0.173 . 1 . . 533 . A 96 ILE CB . 34627 1 626 . 1 . 1 71 71 ILE CG1 C 13 28.209 0.064 . 1 . . 535 . A 96 ILE CG1 . 34627 1 627 . 1 . 1 71 71 ILE CG2 C 13 16.897 0.006 . 1 . . 540 . A 96 ILE CG2 . 34627 1 628 . 1 . 1 71 71 ILE CD1 C 13 13.793 0.279 . 1 . . 538 . A 96 ILE CD1 . 34627 1 629 . 1 . 1 71 71 ILE N N 15 120.379 0.029 . 1 . . 529 . A 96 ILE N . 34627 1 630 . 1 . 1 72 72 LEU H H 1 8.903 0.006 . 1 . . 544 . A 97 LEU H . 34627 1 631 . 1 . 1 72 72 LEU HA H 1 4.637 0.024 . 1 . . 546 . A 97 LEU HA . 34627 1 632 . 1 . 1 72 72 LEU HB2 H 1 1.473 0.016 . 2 . . 549 . A 97 LEU HB2 . 34627 1 633 . 1 . 1 72 72 LEU HB3 H 1 1.642 0.012 . 2 . . 548 . A 97 LEU HB3 . 34627 1 634 . 1 . 1 72 72 LEU HG H 1 1.429 0.031 . 1 . . 551 . A 97 LEU HG . 34627 1 635 . 1 . 1 72 72 LEU HD11 H 1 0.815 0.011 . 2 . . 553 . A 97 LEU HD11 . 34627 1 636 . 1 . 1 72 72 LEU HD12 H 1 0.815 0.011 . 2 . . 553 . A 97 LEU HD12 . 34627 1 637 . 1 . 1 72 72 LEU HD13 H 1 0.815 0.011 . 2 . . 553 . A 97 LEU HD13 . 34627 1 638 . 1 . 1 72 72 LEU HD21 H 1 0.805 0.017 . 2 . . 555 . A 97 LEU HD21 . 34627 1 639 . 1 . 1 72 72 LEU HD22 H 1 0.805 0.017 . 2 . . 555 . A 97 LEU HD22 . 34627 1 640 . 1 . 1 72 72 LEU HD23 H 1 0.805 0.017 . 2 . . 555 . A 97 LEU HD23 . 34627 1 641 . 1 . 1 72 72 LEU C C 13 175.900 0.0 . 1 . . 556 . A 97 LEU C . 34627 1 642 . 1 . 1 72 72 LEU CA C 13 53.097 0.0 . 1 . . 545 . A 97 LEU CA . 34627 1 643 . 1 . 1 72 72 LEU CB C 13 40.847 0.011 . 1 . . 547 . A 97 LEU CB . 34627 1 644 . 1 . 1 72 72 LEU CG C 13 27.139 0.106 . 1 . . 550 . A 97 LEU CG . 34627 1 645 . 1 . 1 72 72 LEU CD1 C 13 25.173 . . 2 . . 552 . A 97 LEU CD1 . 34627 1 646 . 1 . 1 72 72 LEU CD2 C 13 24.664 0.0 . 2 . . 554 . A 97 LEU CD2 . 34627 1 647 . 1 . 1 72 72 LEU N N 15 129.241 0.041 . 1 . . 543 . A 97 LEU N . 34627 1 648 . 1 . 1 73 73 PHE H H 1 8.279 0.02 . 1 . . 558 . A 98 PHE H . 34627 1 649 . 1 . 1 73 73 PHE HA H 1 4.421 0.008 . 1 . . 560 . A 98 PHE HA . 34627 1 650 . 1 . 1 73 73 PHE HB2 H 1 2.844 0.017 . 2 . . 563 . A 98 PHE HB2 . 34627 1 651 . 1 . 1 73 73 PHE HB3 H 1 3.015 0.006 . 2 . . 562 . A 98 PHE HB3 . 34627 1 652 . 1 . 1 73 73 PHE HD1 H 1 7.227 0.028 . 1 . . 566 . A 98 PHE HD1 . 34627 1 653 . 1 . 1 73 73 PHE HD2 H 1 7.227 0.028 . 1 . . 566 . A 98 PHE HD2 . 34627 1 654 . 1 . 1 73 73 PHE HE1 H 1 7.286 0.0 . 1 . . 564 . A 98 PHE HE1 . 34627 1 655 . 1 . 1 73 73 PHE HE2 H 1 7.286 0.0 . 1 . . 564 . A 98 PHE HE2 . 34627 1 656 . 1 . 1 73 73 PHE C C 13 175.359 0.0 . 1 . . 567 . A 98 PHE C . 34627 1 657 . 1 . 1 73 73 PHE CA C 13 59.812 0.124 . 1 . . 559 . A 98 PHE CA . 34627 1 658 . 1 . 1 73 73 PHE CB C 13 39.513 0.229 . 1 . . 561 . A 98 PHE CB . 34627 1 659 . 1 . 1 73 73 PHE CE1 C 13 7.307 . . 1 . . 565 . A 98 PHE CE1 . 34627 1 660 . 1 . 1 73 73 PHE CE2 C 13 7.307 . . 1 . . 565 . A 98 PHE CE2 . 34627 1 661 . 1 . 1 73 73 PHE N N 15 124.022 0.062 . 1 . . 557 . A 98 PHE N . 34627 1 662 . 1 . 1 74 74 ALA H H 1 8.036 0.004 . 1 . . 569 . A 99 ALA H . 34627 1 663 . 1 . 1 74 74 ALA HA H 1 4.578 0.002 . 1 . . 571 . A 99 ALA HA . 34627 1 664 . 1 . 1 74 74 ALA HB1 H 1 1.387 0.016 . 1 . . 573 . A 99 ALA HB1 . 34627 1 665 . 1 . 1 74 74 ALA HB2 H 1 1.387 0.016 . 1 . . 573 . A 99 ALA HB2 . 34627 1 666 . 1 . 1 74 74 ALA HB3 H 1 1.387 0.016 . 1 . . 573 . A 99 ALA HB3 . 34627 1 667 . 1 . 1 74 74 ALA C C 13 176.170 0.0 . 1 . . 574 . A 99 ALA C . 34627 1 668 . 1 . 1 74 74 ALA CA C 13 50.281 0.0 . 1 . . 570 . A 99 ALA CA . 34627 1 669 . 1 . 1 74 74 ALA CB C 13 21.303 0.016 . 1 . . 572 . A 99 ALA CB . 34627 1 670 . 1 . 1 74 74 ALA N N 15 128.465 0.066 . 1 . . 568 . A 99 ALA N . 34627 1 671 . 1 . 1 75 75 ASP H H 1 8.230 0.006 . 1 . . 576 . A 100 ASP H . 34627 1 672 . 1 . 1 75 75 ASP HA H 1 4.210 0.005 . 1 . . 578 . A 100 ASP HA . 34627 1 673 . 1 . 1 75 75 ASP HB2 H 1 2.617 0.022 . 2 . . 581 . A 100 ASP HB2 . 34627 1 674 . 1 . 1 75 75 ASP HB3 H 1 2.608 0.008 . 2 . . 580 . A 100 ASP HB3 . 34627 1 675 . 1 . 1 75 75 ASP C C 13 177.296 0.0 . 1 . . 582 . A 100 ASP C . 34627 1 676 . 1 . 1 75 75 ASP CA C 13 57.009 0.073 . 1 . . 577 . A 100 ASP CA . 34627 1 677 . 1 . 1 75 75 ASP CB C 13 40.838 0.157 . 1 . . 579 . A 100 ASP CB . 34627 1 678 . 1 . 1 75 75 ASP N N 15 118.999 0.236 . 1 . . 575 . A 100 ASP N . 34627 1 679 . 1 . 1 76 76 LYS H H 1 7.443 0.002 . 1 . . 584 . A 101 LYS H . 34627 1 680 . 1 . 1 76 76 LYS HA H 1 4.545 0.01 . 1 . . 586 . A 101 LYS HA . 34627 1 681 . 1 . 1 76 76 LYS HB2 H 1 1.568 0.019 . 2 . . 589 . A 101 LYS HB2 . 34627 1 682 . 1 . 1 76 76 LYS HB3 H 1 1.820 0.024 . 2 . . 588 . A 101 LYS HB3 . 34627 1 683 . 1 . 1 76 76 LYS HG2 H 1 1.364 0.013 . 2 . . 592 . A 101 LYS HG2 . 34627 1 684 . 1 . 1 76 76 LYS HG3 H 1 1.372 0.02 . 2 . . 591 . A 101 LYS HG3 . 34627 1 685 . 1 . 1 76 76 LYS HD2 H 1 1.646 0.018 . 2 . . 595 . A 101 LYS HD2 . 34627 1 686 . 1 . 1 76 76 LYS HD3 H 1 1.644 0.017 . 2 . . 594 . A 101 LYS HD3 . 34627 1 687 . 1 . 1 76 76 LYS HE2 H 1 2.976 0.007 . 2 . . 598 . A 101 LYS HE2 . 34627 1 688 . 1 . 1 76 76 LYS HE3 H 1 2.974 0.009 . 2 . . 597 . A 101 LYS HE3 . 34627 1 689 . 1 . 1 76 76 LYS C C 13 177.183 . . 1 . . 599 . A 101 LYS C . 34627 1 690 . 1 . 1 76 76 LYS CA C 13 55.043 . . 1 . . 585 . A 101 LYS CA . 34627 1 691 . 1 . 1 76 76 LYS CB C 13 32.146 0.154 . 1 . . 587 . A 101 LYS CB . 34627 1 692 . 1 . 1 76 76 LYS CG C 13 24.520 0.1 . 1 . . 590 . A 101 LYS CG . 34627 1 693 . 1 . 1 76 76 LYS CD C 13 29.160 0.053 . 1 . . 593 . A 101 LYS CD . 34627 1 694 . 1 . 1 76 76 LYS CE C 13 41.951 0.094 . 1 . . 596 . A 101 LYS CE . 34627 1 695 . 1 . 1 76 76 LYS N N 15 117.423 0.015 . 1 . . 583 . A 101 LYS N . 34627 1 696 . 1 . 1 77 77 ILE H H 1 8.434 0.005 . 1 . . 601 . A 102 ILE H . 34627 1 697 . 1 . 1 77 77 ILE HA H 1 3.871 0.008 . 1 . . 603 . A 102 ILE HA . 34627 1 698 . 1 . 1 77 77 ILE HB H 1 1.953 0.001 . 1 . . 605 . A 102 ILE HB . 34627 1 699 . 1 . 1 77 77 ILE HG12 H 1 1.623 0.025 . 2 . . 608 . A 102 ILE HG12 . 34627 1 700 . 1 . 1 77 77 ILE HG13 H 1 1.316 0.017 . 2 . . 607 . A 102 ILE HG13 . 34627 1 701 . 1 . 1 77 77 ILE HG21 H 1 1.038 0.013 . 1 . . 612 . A 102 ILE HG21 . 34627 1 702 . 1 . 1 77 77 ILE HG22 H 1 1.038 0.013 . 1 . . 612 . A 102 ILE HG22 . 34627 1 703 . 1 . 1 77 77 ILE HG23 H 1 1.038 0.013 . 1 . . 612 . A 102 ILE HG23 . 34627 1 704 . 1 . 1 77 77 ILE HD11 H 1 0.918 0.028 . 1 . . 610 . A 102 ILE HD11 . 34627 1 705 . 1 . 1 77 77 ILE HD12 H 1 0.918 0.028 . 1 . . 610 . A 102 ILE HD12 . 34627 1 706 . 1 . 1 77 77 ILE HD13 H 1 0.918 0.028 . 1 . . 610 . A 102 ILE HD13 . 34627 1 707 . 1 . 1 77 77 ILE C C 13 178.081 . . 1 . . 613 . A 102 ILE C . 34627 1 708 . 1 . 1 77 77 ILE CA C 13 65.190 0.037 . 1 . . 602 . A 102 ILE CA . 34627 1 709 . 1 . 1 77 77 ILE CB C 13 38.238 0.0 . 1 . . 604 . A 102 ILE CB . 34627 1 710 . 1 . 1 77 77 ILE CG1 C 13 29.171 0.084 . 1 . . 606 . A 102 ILE CG1 . 34627 1 711 . 1 . 1 77 77 ILE CG2 C 13 17.177 0.005 . 1 . . 611 . A 102 ILE CG2 . 34627 1 712 . 1 . 1 77 77 ILE CD1 C 13 13.870 0.005 . 1 . . 609 . A 102 ILE CD1 . 34627 1 713 . 1 . 1 77 77 ILE N N 15 125.876 0.023 . 1 . . 600 . A 102 ILE N . 34627 1 714 . 1 . 1 78 78 GLU H H 1 9.939 0.003 . 1 . . 615 . A 103 GLU H . 34627 1 715 . 1 . 1 78 78 GLU HA H 1 4.377 0.027 . 1 . . 617 . A 103 GLU HA . 34627 1 716 . 1 . 1 78 78 GLU HB2 H 1 2.140 0.024 . 2 . . 620 . A 103 GLU HB2 . 34627 1 717 . 1 . 1 78 78 GLU HB3 H 1 2.104 0.028 . 2 . . 619 . A 103 GLU HB3 . 34627 1 718 . 1 . 1 78 78 GLU HG2 H 1 2.430 0.002 . 2 . . 623 . A 103 GLU HG2 . 34627 1 719 . 1 . 1 78 78 GLU HG3 H 1 2.270 0.028 . 2 . . 622 . A 103 GLU HG3 . 34627 1 720 . 1 . 1 78 78 GLU C C 13 177.048 0.0 . 1 . . 624 . A 103 GLU C . 34627 1 721 . 1 . 1 78 78 GLU CA C 13 58.990 0.011 . 1 . . 616 . A 103 GLU CA . 34627 1 722 . 1 . 1 78 78 GLU CB C 13 28.039 0.209 . 1 . . 618 . A 103 GLU CB . 34627 1 723 . 1 . 1 78 78 GLU CG C 13 36.287 0.033 . 1 . . 621 . A 103 GLU CG . 34627 1 724 . 1 . 1 78 78 GLU N N 15 121.623 0.026 . 1 . . 614 . A 103 GLU N . 34627 1 725 . 1 . 1 79 79 GLU H H 1 8.235 0.007 . 1 . . 626 . A 104 GLU H . 34627 1 726 . 1 . 1 79 79 GLU HA H 1 4.474 0.019 . 1 . . 628 . A 104 GLU HA . 34627 1 727 . 1 . 1 79 79 GLU HB2 H 1 2.142 0.011 . 2 . . 631 . A 104 GLU HB2 . 34627 1 728 . 1 . 1 79 79 GLU HB3 H 1 1.939 0.019 . 2 . . 630 . A 104 GLU HB3 . 34627 1 729 . 1 . 1 79 79 GLU HG2 H 1 2.144 0.018 . 2 . . 634 . A 104 GLU HG2 . 34627 1 730 . 1 . 1 79 79 GLU HG3 H 1 2.227 0.017 . 2 . . 633 . A 104 GLU HG3 . 34627 1 731 . 1 . 1 79 79 GLU C C 13 176.147 0.0 . 1 . . 635 . A 104 GLU C . 34627 1 732 . 1 . 1 79 79 GLU CA C 13 55.989 0.001 . 1 . . 627 . A 104 GLU CA . 34627 1 733 . 1 . 1 79 79 GLU CB C 13 29.281 0.016 . 1 . . 629 . A 104 GLU CB . 34627 1 734 . 1 . 1 79 79 GLU CG C 13 36.989 0.192 . 1 . . 632 . A 104 GLU CG . 34627 1 735 . 1 . 1 79 79 GLU N N 15 119.441 0.152 . 1 . . 625 . A 104 GLU N . 34627 1 736 . 1 . 1 80 80 SER H H 1 7.571 0.001 . 1 . . 637 . A 105 SER H . 34627 1 737 . 1 . 1 80 80 SER HA H 1 4.456 0.019 . 1 . . 639 . A 105 SER HA . 34627 1 738 . 1 . 1 80 80 SER HB2 H 1 3.857 0.029 . 2 . . 642 . A 105 SER HB2 . 34627 1 739 . 1 . 1 80 80 SER HB3 H 1 3.876 0.012 . 2 . . 641 . A 105 SER HB3 . 34627 1 740 . 1 . 1 80 80 SER C C 13 171.711 . . 1 . . 643 . A 105 SER C . 34627 1 741 . 1 . 1 80 80 SER CA C 13 60.198 0.001 . 1 . . 638 . A 105 SER CA . 34627 1 742 . 1 . 1 80 80 SER CB C 13 63.631 0.146 . 1 . . 640 . A 105 SER CB . 34627 1 743 . 1 . 1 80 80 SER N N 15 116.315 0.032 . 1 . . 636 . A 105 SER N . 34627 1 744 . 1 . 1 81 81 GLN H H 1 8.227 0.016 . 1 . . 645 . A 106 GLN H . 34627 1 745 . 1 . 1 81 81 GLN HA H 1 5.128 0.02 . 1 . . 647 . A 106 GLN HA . 34627 1 746 . 1 . 1 81 81 GLN HB2 H 1 1.929 0.024 . 2 . . 650 . A 106 GLN HB2 . 34627 1 747 . 1 . 1 81 81 GLN HB3 H 1 1.930 0.023 . 2 . . 649 . A 106 GLN HB3 . 34627 1 748 . 1 . 1 81 81 GLN HG2 H 1 2.290 0.01 . 2 . . 653 . A 106 GLN HG2 . 34627 1 749 . 1 . 1 81 81 GLN HG3 H 1 2.290 0.01 . 2 . . 652 . A 106 GLN HG3 . 34627 1 750 . 1 . 1 81 81 GLN C C 13 174.818 . . 1 . . 654 . A 106 GLN C . 34627 1 751 . 1 . 1 81 81 GLN CA C 13 54.542 0.015 . 1 . . 646 . A 106 GLN CA . 34627 1 752 . 1 . 1 81 81 GLN CB C 13 34.093 0.31 . 1 . . 648 . A 106 GLN CB . 34627 1 753 . 1 . 1 81 81 GLN CG C 13 33.729 0.0 . 1 . . 651 . A 106 GLN CG . 34627 1 754 . 1 . 1 81 81 GLN N N 15 118.678 0.218 . 1 . . 644 . A 106 GLN N . 34627 1 755 . 1 . 1 82 82 VAL H H 1 9.055 0.014 . 1 . . 656 . A 107 VAL H . 34627 1 756 . 1 . 1 82 82 VAL HA H 1 4.693 0.022 . 1 . . 658 . A 107 VAL HA . 34627 1 757 . 1 . 1 82 82 VAL HB H 1 1.955 0.023 . 1 . . 660 . A 107 VAL HB . 34627 1 758 . 1 . 1 82 82 VAL HG11 H 1 0.828 0.017 . 2 . . 664 . A 107 VAL HG11 . 34627 1 759 . 1 . 1 82 82 VAL HG12 H 1 0.828 0.017 . 2 . . 664 . A 107 VAL HG12 . 34627 1 760 . 1 . 1 82 82 VAL HG13 H 1 0.828 0.017 . 2 . . 664 . A 107 VAL HG13 . 34627 1 761 . 1 . 1 82 82 VAL HG21 H 1 0.832 0.017 . 2 . . 662 . A 107 VAL HG21 . 34627 1 762 . 1 . 1 82 82 VAL HG22 H 1 0.832 0.017 . 2 . . 662 . A 107 VAL HG22 . 34627 1 763 . 1 . 1 82 82 VAL HG23 H 1 0.832 0.017 . 2 . . 662 . A 107 VAL HG23 . 34627 1 764 . 1 . 1 82 82 VAL C C 13 173.580 . . 1 . . 665 . A 107 VAL C . 34627 1 765 . 1 . 1 82 82 VAL CA C 13 59.646 0.0 . 1 . . 657 . A 107 VAL CA . 34627 1 766 . 1 . 1 82 82 VAL CB C 13 34.392 0.219 . 1 . . 659 . A 107 VAL CB . 34627 1 767 . 1 . 1 82 82 VAL CG1 C 13 21.283 . . 2 . . 663 . A 107 VAL CG1 . 34627 1 768 . 1 . 1 82 82 VAL CG2 C 13 21.863 . . 2 . . 661 . A 107 VAL CG2 . 34627 1 769 . 1 . 1 82 82 VAL N N 15 116.842 0.03 . 1 . . 655 . A 107 VAL N . 34627 1 770 . 1 . 1 83 83 ILE H H 1 8.686 0.003 . 1 . . 667 . A 108 ILE H . 34627 1 771 . 1 . 1 83 83 ILE HA H 1 4.942 0.017 . 1 . . 669 . A 108 ILE HA . 34627 1 772 . 1 . 1 83 83 ILE HB H 1 1.488 0.005 . 1 . . 671 . A 108 ILE HB . 34627 1 773 . 1 . 1 83 83 ILE HG12 H 1 0.971 0.011 . 2 . . 674 . A 108 ILE HG12 . 34627 1 774 . 1 . 1 83 83 ILE HG13 H 1 1.282 0.014 . 2 . . 673 . A 108 ILE HG13 . 34627 1 775 . 1 . 1 83 83 ILE HG21 H 1 0.674 0.023 . 1 . . 678 . A 108 ILE HG21 . 34627 1 776 . 1 . 1 83 83 ILE HG22 H 1 0.674 0.023 . 1 . . 678 . A 108 ILE HG22 . 34627 1 777 . 1 . 1 83 83 ILE HG23 H 1 0.674 0.023 . 1 . . 678 . A 108 ILE HG23 . 34627 1 778 . 1 . 1 83 83 ILE HD11 H 1 0.671 0.005 . 1 . . 676 . A 108 ILE HD11 . 34627 1 779 . 1 . 1 83 83 ILE HD12 H 1 0.671 0.005 . 1 . . 676 . A 108 ILE HD12 . 34627 1 780 . 1 . 1 83 83 ILE HD13 H 1 0.671 0.005 . 1 . . 676 . A 108 ILE HD13 . 34627 1 781 . 1 . 1 83 83 ILE C C 13 175.877 . . 1 . . 679 . A 108 ILE C . 34627 1 782 . 1 . 1 83 83 ILE CA C 13 61.007 0.154 . 1 . . 668 . A 108 ILE CA . 34627 1 783 . 1 . 1 83 83 ILE CB C 13 39.138 0.01 . 1 . . 670 . A 108 ILE CB . 34627 1 784 . 1 . 1 83 83 ILE CG1 C 13 27.411 0.067 . 1 . . 672 . A 108 ILE CG1 . 34627 1 785 . 1 . 1 83 83 ILE CG2 C 13 93.491 . . 1 . . 677 . A 108 ILE CG2 . 34627 1 786 . 1 . 1 83 83 ILE CD1 C 13 13.955 0.033 . 1 . . 675 . A 108 ILE CD1 . 34627 1 787 . 1 . 1 83 83 ILE N N 15 125.644 0.158 . 1 . . 666 . A 108 ILE N . 34627 1 788 . 1 . 1 84 84 ILE H H 1 8.827 0.001 . 1 . . 681 . A 109 ILE H . 34627 1 789 . 1 . 1 84 84 ILE HA H 1 4.915 0.016 . 1 . . 683 . A 109 ILE HA . 34627 1 790 . 1 . 1 84 84 ILE HB H 1 1.942 0.014 . 1 . . 685 . A 109 ILE HB . 34627 1 791 . 1 . 1 84 84 ILE HG12 H 1 1.499 0.01 . 2 . . 688 . A 109 ILE HG12 . 34627 1 792 . 1 . 1 84 84 ILE HG13 H 1 0.966 0.014 . 2 . . 687 . A 109 ILE HG13 . 34627 1 793 . 1 . 1 84 84 ILE HG21 H 1 0.674 0.01 . 1 . . 692 . A 109 ILE HG21 . 34627 1 794 . 1 . 1 84 84 ILE HG22 H 1 0.674 0.01 . 1 . . 692 . A 109 ILE HG22 . 34627 1 795 . 1 . 1 84 84 ILE HG23 H 1 0.674 0.01 . 1 . . 692 . A 109 ILE HG23 . 34627 1 796 . 1 . 1 84 84 ILE HD11 H 1 0.462 0.004 . 1 . . 690 . A 109 ILE HD11 . 34627 1 797 . 1 . 1 84 84 ILE HD12 H 1 0.462 0.004 . 1 . . 690 . A 109 ILE HD12 . 34627 1 798 . 1 . 1 84 84 ILE HD13 H 1 0.462 0.004 . 1 . . 690 . A 109 ILE HD13 . 34627 1 799 . 1 . 1 84 84 ILE C C 13 174.481 . . 1 . . 693 . A 109 ILE C . 34627 1 800 . 1 . 1 84 84 ILE CA C 13 59.246 0.022 . 1 . . 682 . A 109 ILE CA . 34627 1 801 . 1 . 1 84 84 ILE CB C 13 41.140 0.003 . 1 . . 684 . A 109 ILE CB . 34627 1 802 . 1 . 1 84 84 ILE CG1 C 13 28.699 0.024 . 1 . . 686 . A 109 ILE CG1 . 34627 1 803 . 1 . 1 84 84 ILE CG2 C 13 17.059 0.016 . 1 . . 691 . A 109 ILE CG2 . 34627 1 804 . 1 . 1 84 84 ILE CD1 C 13 12.814 0.015 . 1 . . 689 . A 109 ILE CD1 . 34627 1 805 . 1 . 1 84 84 ILE N N 15 127.419 0.01 . 1 . . 680 . A 109 ILE N . 34627 1 806 . 1 . 1 85 85 ARG H H 1 9.316 0.004 . 1 . . 695 . A 110 ARG H . 34627 1 807 . 1 . 1 85 85 ARG HA H 1 5.310 0.004 . 1 . . 697 . A 110 ARG HA . 34627 1 808 . 1 . 1 85 85 ARG HB2 H 1 1.602 0.009 . 2 . . 700 . A 110 ARG HB2 . 34627 1 809 . 1 . 1 85 85 ARG HB3 H 1 1.747 0.016 . 2 . . 699 . A 110 ARG HB3 . 34627 1 810 . 1 . 1 85 85 ARG HG2 H 1 1.901 0.017 . 2 . . 703 . A 110 ARG HG2 . 34627 1 811 . 1 . 1 85 85 ARG HG3 H 1 1.374 0.016 . 2 . . 702 . A 110 ARG HG3 . 34627 1 812 . 1 . 1 85 85 ARG HD2 H 1 3.214 0.02 . 2 . . 706 . A 110 ARG HD2 . 34627 1 813 . 1 . 1 85 85 ARG HD3 H 1 3.145 0.022 . 2 . . 705 . A 110 ARG HD3 . 34627 1 814 . 1 . 1 85 85 ARG C C 13 176.125 0.0 . 1 . . 707 . A 110 ARG C . 34627 1 815 . 1 . 1 85 85 ARG CA C 13 54.115 0.022 . 1 . . 696 . A 110 ARG CA . 34627 1 816 . 1 . 1 85 85 ARG CB C 13 33.456 0.164 . 1 . . 698 . A 110 ARG CB . 34627 1 817 . 1 . 1 85 85 ARG CG C 13 27.121 0.185 . 1 . . 701 . A 110 ARG CG . 34627 1 818 . 1 . 1 85 85 ARG CD C 13 43.693 0.12 . 1 . . 704 . A 110 ARG CD . 34627 1 819 . 1 . 1 85 85 ARG N N 15 130.167 0.068 . 1 . . 694 . A 110 ARG N . 34627 1 820 . 1 . 1 86 86 SER H H 1 9.019 0.002 . 1 . . 709 . A 111 SER H . 34627 1 821 . 1 . 1 86 86 SER HA H 1 4.669 0.004 . 1 . . 711 . A 111 SER HA . 34627 1 822 . 1 . 1 86 86 SER HB2 H 1 4.416 0.022 . 2 . . 714 . A 111 SER HB2 . 34627 1 823 . 1 . 1 86 86 SER HB3 H 1 4.146 0.004 . 2 . . 713 . A 111 SER HB3 . 34627 1 824 . 1 . 1 86 86 SER C C 13 175.629 . . 1 . . 715 . A 111 SER C . 34627 1 825 . 1 . 1 86 86 SER CA C 13 57.738 0.0 . 1 . . 710 . A 111 SER CA . 34627 1 826 . 1 . 1 86 86 SER CB C 13 65.037 0.004 . 1 . . 712 . A 111 SER CB . 34627 1 827 . 1 . 1 86 86 SER N N 15 123.388 0.03 . 1 . . 708 . A 111 SER N . 34627 1 828 . 1 . 1 88 88 SER HA H 1 4.402 0.005 . 1 . . 717 . A 113 SER HA . 34627 1 829 . 1 . 1 88 88 SER HB2 H 1 3.874 0.021 . 2 . . 720 . A 113 SER HB2 . 34627 1 830 . 1 . 1 88 88 SER HB3 H 1 4.127 0.007 . 2 . . 719 . A 113 SER HB3 . 34627 1 831 . 1 . 1 88 88 SER C C 13 173.336 0.0 . 1 . . 721 . A 113 SER C . 34627 1 832 . 1 . 1 88 88 SER CA C 13 58.413 0.0 . 1 . . 716 . A 113 SER CA . 34627 1 833 . 1 . 1 88 88 SER CB C 13 63.516 0.026 . 1 . . 718 . A 113 SER CB . 34627 1 834 . 1 . 1 89 89 GLY H H 1 8.026 0.003 . 1 . . 723 . A 114 GLY H . 34627 1 835 . 1 . 1 89 89 GLY HA2 H 1 3.464 0.008 . 2 . . 726 . A 114 GLY HA2 . 34627 1 836 . 1 . 1 89 89 GLY HA3 H 1 4.418 0.032 . 2 . . 725 . A 114 GLY HA3 . 34627 1 837 . 1 . 1 89 89 GLY C C 13 173.557 0.0 . 1 . . 727 . A 114 GLY C . 34627 1 838 . 1 . 1 89 89 GLY CA C 13 45.097 0.009 . 1 . . 724 . A 114 GLY CA . 34627 1 839 . 1 . 1 89 89 GLY N N 15 110.197 0.069 . 1 . . 722 . A 114 GLY N . 34627 1 840 . 1 . 1 90 90 GLU H H 1 7.597 0.007 . 1 . . 729 . A 115 GLU H . 34627 1 841 . 1 . 1 90 90 GLU HA H 1 4.278 0.03 . 1 . . 731 . A 115 GLU HA . 34627 1 842 . 1 . 1 90 90 GLU HB2 H 1 1.970 0.026 . 2 . . 734 . A 115 GLU HB2 . 34627 1 843 . 1 . 1 90 90 GLU HB3 H 1 1.918 0.037 . 2 . . 733 . A 115 GLU HB3 . 34627 1 844 . 1 . 1 90 90 GLU HG2 H 1 2.234 0.015 . 2 . . 737 . A 115 GLU HG2 . 34627 1 845 . 1 . 1 90 90 GLU HG3 H 1 2.097 0.027 . 2 . . 736 . A 115 GLU HG3 . 34627 1 846 . 1 . 1 90 90 GLU C C 13 175.562 0.0 . 1 . . 738 . A 115 GLU C . 34627 1 847 . 1 . 1 90 90 GLU CA C 13 56.696 0.177 . 1 . . 730 . A 115 GLU CA . 34627 1 848 . 1 . 1 90 90 GLU CB C 13 30.502 0.187 . 1 . . 732 . A 115 GLU CB . 34627 1 849 . 1 . 1 90 90 GLU CG C 13 36.445 0.212 . 1 . . 735 . A 115 GLU CG . 34627 1 850 . 1 . 1 90 90 GLU N N 15 121.043 0.01 . 1 . . 728 . A 115 GLU N . 34627 1 851 . 1 . 1 91 91 GLU H H 1 8.751 0.009 . 1 . . 740 . A 116 GLU H . 34627 1 852 . 1 . 1 91 91 GLU HA H 1 5.044 0.013 . 1 . . 742 . A 116 GLU HA . 34627 1 853 . 1 . 1 91 91 GLU HB2 H 1 1.748 0.009 . 2 . . 745 . A 116 GLU HB2 . 34627 1 854 . 1 . 1 91 91 GLU HB3 H 1 1.749 0.009 . 2 . . 744 . A 116 GLU HB3 . 34627 1 855 . 1 . 1 91 91 GLU HG2 H 1 1.899 0.022 . 2 . . 748 . A 116 GLU HG2 . 34627 1 856 . 1 . 1 91 91 GLU HG3 H 1 2.231 0.008 . 2 . . 747 . A 116 GLU HG3 . 34627 1 857 . 1 . 1 91 91 GLU C C 13 175.314 0.0 . 1 . . 749 . A 116 GLU C . 34627 1 858 . 1 . 1 91 91 GLU CA C 13 55.537 0.066 . 1 . . 741 . A 116 GLU CA . 34627 1 859 . 1 . 1 91 91 GLU CB C 13 31.533 0.108 . 1 . . 743 . A 116 GLU CB . 34627 1 860 . 1 . 1 91 91 GLU CG C 13 37.143 0.253 . 1 . . 746 . A 116 GLU CG . 34627 1 861 . 1 . 1 91 91 GLU N N 15 126.452 0.024 . 1 . . 739 . A 116 GLU N . 34627 1 862 . 1 . 1 92 92 LYS H H 1 8.221 0.006 . 1 . . 751 . A 117 LYS H . 34627 1 863 . 1 . 1 92 92 LYS HA H 1 4.617 0.009 . 1 . . 753 . A 117 LYS HA . 34627 1 864 . 1 . 1 92 92 LYS HB2 H 1 1.547 0.021 . 2 . . 756 . A 117 LYS HB2 . 34627 1 865 . 1 . 1 92 92 LYS HB3 H 1 1.605 0.01 . 2 . . 755 . A 117 LYS HB3 . 34627 1 866 . 1 . 1 92 92 LYS HG2 H 1 1.298 0.018 . 2 . . 759 . A 117 LYS HG2 . 34627 1 867 . 1 . 1 92 92 LYS HG3 H 1 1.204 0.01 . 2 . . 758 . A 117 LYS HG3 . 34627 1 868 . 1 . 1 92 92 LYS HD2 H 1 1.443 0.015 . 2 . . 762 . A 117 LYS HD2 . 34627 1 869 . 1 . 1 92 92 LYS HD3 H 1 1.619 0.015 . 2 . . 761 . A 117 LYS HD3 . 34627 1 870 . 1 . 1 92 92 LYS HE2 H 1 2.851 0.019 . 2 . . 765 . A 117 LYS HE2 . 34627 1 871 . 1 . 1 92 92 LYS HE3 H 1 2.869 0.001 . 2 . . 764 . A 117 LYS HE3 . 34627 1 872 . 1 . 1 92 92 LYS C C 13 173.467 . . 1 . . 766 . A 117 LYS C . 34627 1 873 . 1 . 1 92 92 LYS CA C 13 54.928 0.0 . 1 . . 752 . A 117 LYS CA . 34627 1 874 . 1 . 1 92 92 LYS CB C 13 36.555 0.0 . 1 . . 754 . A 117 LYS CB . 34627 1 875 . 1 . 1 92 92 LYS CG C 13 25.265 0.001 . 1 . . 757 . A 117 LYS CG . 34627 1 876 . 1 . 1 92 92 LYS CD C 13 29.013 0.169 . 1 . . 760 . A 117 LYS CD . 34627 1 877 . 1 . 1 92 92 LYS CE C 13 42.058 0.146 . 1 . . 763 . A 117 LYS CE . 34627 1 878 . 1 . 1 92 92 LYS N N 15 123.452 0.085 . 1 . . 750 . A 117 LYS N . 34627 1 879 . 1 . 1 93 93 THR H H 1 7.721 0.002 . 1 . . 768 . A 118 THR H . 34627 1 880 . 1 . 1 93 93 THR HA H 1 5.006 0.031 . 1 . . 770 . A 118 THR HA . 34627 1 881 . 1 . 1 93 93 THR HB H 1 3.819 0.033 . 1 . . 772 . A 118 THR HB . 34627 1 882 . 1 . 1 93 93 THR HG21 H 1 1.000 0.01 . 1 . . 774 . A 118 THR HG21 . 34627 1 883 . 1 . 1 93 93 THR HG22 H 1 1.000 0.01 . 1 . . 774 . A 118 THR HG22 . 34627 1 884 . 1 . 1 93 93 THR HG23 H 1 1.000 0.01 . 1 . . 774 . A 118 THR HG23 . 34627 1 885 . 1 . 1 93 93 THR C C 13 174.053 0.0 . 1 . . 775 . A 118 THR C . 34627 1 886 . 1 . 1 93 93 THR CA C 13 61.221 0.095 . 1 . . 769 . A 118 THR CA . 34627 1 887 . 1 . 1 93 93 THR CB C 13 69.786 0.015 . 1 . . 771 . A 118 THR CB . 34627 1 888 . 1 . 1 93 93 THR CG2 C 13 22.624 0.09 . 1 . . 773 . A 118 THR CG2 . 34627 1 889 . 1 . 1 93 93 THR N N 15 114.320 0.027 . 1 . . 767 . A 118 THR N . 34627 1 890 . 1 . 1 94 94 TYR H H 1 9.305 0.015 . 1 . . 777 . A 119 TYR H . 34627 1 891 . 1 . 1 94 94 TYR HA H 1 4.755 0.022 . 1 . . 779 . A 119 TYR HA . 34627 1 892 . 1 . 1 94 94 TYR HB2 H 1 2.385 0.003 . 2 . . 782 . A 119 TYR HB2 . 34627 1 893 . 1 . 1 94 94 TYR HB3 H 1 3.059 0.006 . 2 . . 781 . A 119 TYR HB3 . 34627 1 894 . 1 . 1 94 94 TYR HD1 H 1 7.077 0.009 . 1 . . 784 . A 119 TYR HD1 . 34627 1 895 . 1 . 1 94 94 TYR HD2 H 1 7.077 0.009 . 1 . . 784 . A 119 TYR HD2 . 34627 1 896 . 1 . 1 94 94 TYR HE1 H 1 6.804 0.0 . 1 . . 783 . A 119 TYR HE1 . 34627 1 897 . 1 . 1 94 94 TYR HE2 H 1 6.804 0.0 . 1 . . 783 . A 119 TYR HE2 . 34627 1 898 . 1 . 1 94 94 TYR C C 13 173.850 . . 1 . . 785 . A 119 TYR C . 34627 1 899 . 1 . 1 94 94 TYR CA C 13 57.232 0.0 . 1 . . 778 . A 119 TYR CA . 34627 1 900 . 1 . 1 94 94 TYR CB C 13 43.520 0.027 . 1 . . 780 . A 119 TYR CB . 34627 1 901 . 1 . 1 94 94 TYR N N 15 122.642 0.017 . 1 . . 776 . A 119 TYR N . 34627 1 902 . 1 . 1 95 95 ASN H H 1 9.368 0.005 . 1 . . 787 . A 120 ASN H . 34627 1 903 . 1 . 1 95 95 ASN HA H 1 5.100 0.002 . 1 . . 789 . A 120 ASN HA . 34627 1 904 . 1 . 1 95 95 ASN HB2 H 1 2.475 0.003 . 2 . . 792 . A 120 ASN HB2 . 34627 1 905 . 1 . 1 95 95 ASN HB3 H 1 2.964 0.007 . 2 . . 791 . A 120 ASN HB3 . 34627 1 906 . 1 . 1 95 95 ASN C C 13 175.517 0.0 . 1 . . 793 . A 120 ASN C . 34627 1 907 . 1 . 1 95 95 ASN CA C 13 51.647 0.025 . 1 . . 788 . A 120 ASN CA . 34627 1 908 . 1 . 1 95 95 ASN CB C 13 42.157 0.278 . 1 . . 790 . A 120 ASN CB . 34627 1 909 . 1 . 1 95 95 ASN N N 15 119.054 0.163 . 1 . . 786 . A 120 ASN N . 34627 1 910 . 1 . 1 96 96 VAL H H 1 9.085 0.007 . 1 . . 795 . A 121 VAL H . 34627 1 911 . 1 . 1 96 96 VAL HA H 1 3.323 0.017 . 1 . . 797 . A 121 VAL HA . 34627 1 912 . 1 . 1 96 96 VAL HB H 1 2.002 0.027 . 1 . . 799 . A 121 VAL HB . 34627 1 913 . 1 . 1 96 96 VAL HG11 H 1 0.924 0.019 . 2 . . 803 . A 121 VAL HG11 . 34627 1 914 . 1 . 1 96 96 VAL HG12 H 1 0.924 0.019 . 2 . . 803 . A 121 VAL HG12 . 34627 1 915 . 1 . 1 96 96 VAL HG13 H 1 0.924 0.019 . 2 . . 803 . A 121 VAL HG13 . 34627 1 916 . 1 . 1 96 96 VAL HG21 H 1 1.024 0.008 . 2 . . 801 . A 121 VAL HG21 . 34627 1 917 . 1 . 1 96 96 VAL HG22 H 1 1.024 0.008 . 2 . . 801 . A 121 VAL HG22 . 34627 1 918 . 1 . 1 96 96 VAL HG23 H 1 1.024 0.008 . 2 . . 801 . A 121 VAL HG23 . 34627 1 919 . 1 . 1 96 96 VAL C C 13 176.710 . . 1 . . 804 . A 121 VAL C . 34627 1 920 . 1 . 1 96 96 VAL CA C 13 66.093 0.003 . 1 . . 796 . A 121 VAL CA . 34627 1 921 . 1 . 1 96 96 VAL CB C 13 31.335 0.015 . 1 . . 798 . A 121 VAL CB . 34627 1 922 . 1 . 1 96 96 VAL CG1 C 13 22.617 0.0 . 2 . . 802 . A 121 VAL CG1 . 34627 1 923 . 1 . 1 96 96 VAL CG2 C 13 23.295 . . 2 . . 800 . A 121 VAL CG2 . 34627 1 924 . 1 . 1 96 96 VAL N N 15 119.818 0.008 . 1 . . 794 . A 121 VAL N . 34627 1 925 . 1 . 1 97 97 GLY H H 1 8.743 0.027 . 1 . . 806 . A 122 GLY H . 34627 1 926 . 1 . 1 97 97 GLY HA2 H 1 3.607 0.017 . 2 . . 809 . A 122 GLY HA2 . 34627 1 927 . 1 . 1 97 97 GLY HA3 H 1 4.467 0.023 . 2 . . 808 . A 122 GLY HA3 . 34627 1 928 . 1 . 1 97 97 GLY C C 13 174.210 . . 1 . . 810 . A 122 GLY C . 34627 1 929 . 1 . 1 97 97 GLY CA C 13 45.127 0.289 . 1 . . 807 . A 122 GLY CA . 34627 1 930 . 1 . 1 97 97 GLY N N 15 116.322 0.043 . 1 . . 805 . A 122 GLY N . 34627 1 931 . 1 . 1 98 98 ASP H H 1 8.035 0.005 . 1 . . 812 . A 123 ASP H . 34627 1 932 . 1 . 1 98 98 ASP HA H 1 4.810 0.004 . 1 . . 814 . A 123 ASP HA . 34627 1 933 . 1 . 1 98 98 ASP HB2 H 1 2.948 0.008 . 2 . . 817 . A 123 ASP HB2 . 34627 1 934 . 1 . 1 98 98 ASP HB3 H 1 3.253 0.005 . 2 . . 816 . A 123 ASP HB3 . 34627 1 935 . 1 . 1 98 98 ASP C C 13 175.717 0.0 . 1 . . 818 . A 123 ASP C . 34627 1 936 . 1 . 1 98 98 ASP CA C 13 54.746 0.023 . 1 . . 813 . A 123 ASP CA . 34627 1 937 . 1 . 1 98 98 ASP CB C 13 42.319 0.193 . 1 . . 815 . A 123 ASP CB . 34627 1 938 . 1 . 1 98 98 ASP N N 15 120.396 0.16 . 1 . . 811 . A 123 ASP N . 34627 1 939 . 1 . 1 99 99 LYS H H 1 8.239 0.009 . 1 . . 820 . A 124 LYS H . 34627 1 940 . 1 . 1 99 99 LYS HA H 1 5.036 0.003 . 1 . . 822 . A 124 LYS HA . 34627 1 941 . 1 . 1 99 99 LYS HB2 H 1 1.667 0.03 . 2 . . 825 . A 124 LYS HB2 . 34627 1 942 . 1 . 1 99 99 LYS HB3 H 1 1.682 0.016 . 2 . . 824 . A 124 LYS HB3 . 34627 1 943 . 1 . 1 99 99 LYS HG2 H 1 1.455 0.012 . 2 . . 828 . A 124 LYS HG2 . 34627 1 944 . 1 . 1 99 99 LYS HG3 H 1 1.428 0.025 . 2 . . 827 . A 124 LYS HG3 . 34627 1 945 . 1 . 1 99 99 LYS HD2 H 1 1.652 0.013 . 2 . . 831 . A 124 LYS HD2 . 34627 1 946 . 1 . 1 99 99 LYS HD3 H 1 1.658 0.019 . 2 . . 830 . A 124 LYS HD3 . 34627 1 947 . 1 . 1 99 99 LYS HE2 H 1 2.975 0.008 . 2 . . 834 . A 124 LYS HE2 . 34627 1 948 . 1 . 1 99 99 LYS HE3 H 1 2.967 0.009 . 2 . . 833 . A 124 LYS HE3 . 34627 1 949 . 1 . 1 99 99 LYS C C 13 176.868 0.0 . 1 . . 835 . A 124 LYS C . 34627 1 950 . 1 . 1 99 99 LYS CA C 13 55.296 0.092 . 1 . . 821 . A 124 LYS CA . 34627 1 951 . 1 . 1 99 99 LYS CB C 13 33.629 0.143 . 1 . . 823 . A 124 LYS CB . 34627 1 952 . 1 . 1 99 99 LYS CG C 13 24.789 0.153 . 1 . . 826 . A 124 LYS CG . 34627 1 953 . 1 . 1 99 99 LYS CD C 13 29.221 0.042 . 1 . . 829 . A 124 LYS CD . 34627 1 954 . 1 . 1 99 99 LYS CE C 13 41.921 0.084 . 1 . . 832 . A 124 LYS CE . 34627 1 955 . 1 . 1 99 99 LYS N N 15 119.032 0.264 . 1 . . 819 . A 124 LYS N . 34627 1 956 . 1 . 1 100 100 ILE H H 1 8.444 0.003 . 1 . . 837 . A 125 ILE H . 34627 1 957 . 1 . 1 100 100 ILE HA H 1 4.442 0.013 . 1 . . 839 . A 125 ILE HA . 34627 1 958 . 1 . 1 100 100 ILE HB H 1 1.483 0.01 . 1 . . 841 . A 125 ILE HB . 34627 1 959 . 1 . 1 100 100 ILE HG12 H 1 0.654 0.013 . 2 . . 844 . A 125 ILE HG12 . 34627 1 960 . 1 . 1 100 100 ILE HG13 H 1 1.285 0.019 . 2 . . 843 . A 125 ILE HG13 . 34627 1 961 . 1 . 1 100 100 ILE HG21 H 1 0.079 0.001 . 1 . . 848 . A 125 ILE HG21 . 34627 1 962 . 1 . 1 100 100 ILE HG22 H 1 0.079 0.001 . 1 . . 848 . A 125 ILE HG22 . 34627 1 963 . 1 . 1 100 100 ILE HG23 H 1 0.079 0.001 . 1 . . 848 . A 125 ILE HG23 . 34627 1 964 . 1 . 1 100 100 ILE HD11 H 1 0.514 0.02 . 1 . . 846 . A 125 ILE HD11 . 34627 1 965 . 1 . 1 100 100 ILE HD12 H 1 0.514 0.02 . 1 . . 846 . A 125 ILE HD12 . 34627 1 966 . 1 . 1 100 100 ILE HD13 H 1 0.514 0.02 . 1 . . 846 . A 125 ILE HD13 . 34627 1 967 . 1 . 1 100 100 ILE C C 13 173.490 . . 1 . . 849 . A 125 ILE C . 34627 1 968 . 1 . 1 100 100 ILE CA C 13 58.482 0.017 . 1 . . 838 . A 125 ILE CA . 34627 1 969 . 1 . 1 100 100 ILE CB C 13 37.593 0.011 . 1 . . 840 . A 125 ILE CB . 34627 1 970 . 1 . 1 100 100 ILE CG1 C 13 25.257 0.085 . 1 . . 842 . A 125 ILE CG1 . 34627 1 971 . 1 . 1 100 100 ILE CG2 C 13 17.355 0.035 . 1 . . 847 . A 125 ILE CG2 . 34627 1 972 . 1 . 1 100 100 ILE CD1 C 13 14.381 0.197 . 1 . . 845 . A 125 ILE CD1 . 34627 1 973 . 1 . 1 100 100 ILE N N 15 118.102 0.088 . 1 . . 836 . A 125 ILE N . 34627 1 974 . 1 . 1 102 102 GLY HA2 H 1 3.588 0.019 . 2 . . 852 . A 127 GLY HA2 . 34627 1 975 . 1 . 1 102 102 GLY HA3 H 1 4.410 0.013 . 2 . . 851 . A 127 GLY HA3 . 34627 1 976 . 1 . 1 102 102 GLY C C 13 176.215 . . 1 . . 853 . A 127 GLY C . 34627 1 977 . 1 . 1 102 102 GLY CA C 13 44.898 0.003 . 1 . . 850 . A 127 GLY CA . 34627 1 978 . 1 . 1 103 103 GLY H H 1 8.464 0.009 . 1 . . 855 . A 128 GLY H . 34627 1 979 . 1 . 1 103 103 GLY HA2 H 1 3.711 0.003 . 2 . . 858 . A 128 GLY HA2 . 34627 1 980 . 1 . 1 103 103 GLY HA3 H 1 4.285 0.002 . 2 . . 857 . A 128 GLY HA3 . 34627 1 981 . 1 . 1 103 103 GLY C C 13 173.895 0.0 . 1 . . 859 . A 128 GLY C . 34627 1 982 . 1 . 1 103 103 GLY CA C 13 45.989 0.018 . 1 . . 856 . A 128 GLY CA . 34627 1 983 . 1 . 1 103 103 GLY N N 15 107.066 0.012 . 1 . . 854 . A 128 GLY N . 34627 1 984 . 1 . 1 104 104 ALA H H 1 7.054 0.005 . 1 . . 861 . A 129 ALA H . 34627 1 985 . 1 . 1 104 104 ALA HA H 1 4.920 0.016 . 1 . . 863 . A 129 ALA HA . 34627 1 986 . 1 . 1 104 104 ALA HB1 H 1 1.036 0.012 . 1 . . 865 . A 129 ALA HB1 . 34627 1 987 . 1 . 1 104 104 ALA HB2 H 1 1.036 0.012 . 1 . . 865 . A 129 ALA HB2 . 34627 1 988 . 1 . 1 104 104 ALA HB3 H 1 1.036 0.012 . 1 . . 865 . A 129 ALA HB3 . 34627 1 989 . 1 . 1 104 104 ALA C C 13 175.359 0.0 . 1 . . 866 . A 129 ALA C . 34627 1 990 . 1 . 1 104 104 ALA CA C 13 50.907 0.013 . 1 . . 862 . A 129 ALA CA . 34627 1 991 . 1 . 1 104 104 ALA CB C 13 21.015 0.239 . 1 . . 864 . A 129 ALA CB . 34627 1 992 . 1 . 1 104 104 ALA N N 15 121.736 0.058 . 1 . . 860 . A 129 ALA N . 34627 1 993 . 1 . 1 105 105 THR H H 1 8.625 0.025 . 1 . . 868 . A 130 THR H . 34627 1 994 . 1 . 1 105 105 THR HA H 1 4.978 0.032 . 1 . . 870 . A 130 THR HA . 34627 1 995 . 1 . 1 105 105 THR HB H 1 3.839 0.017 . 1 . . 872 . A 130 THR HB . 34627 1 996 . 1 . 1 105 105 THR HG21 H 1 1.014 0.021 . 1 . . 874 . A 130 THR HG21 . 34627 1 997 . 1 . 1 105 105 THR HG22 H 1 1.014 0.021 . 1 . . 874 . A 130 THR HG22 . 34627 1 998 . 1 . 1 105 105 THR HG23 H 1 1.014 0.021 . 1 . . 874 . A 130 THR HG23 . 34627 1 999 . 1 . 1 105 105 THR C C 13 175.584 . . 1 . . 875 . A 130 THR C . 34627 1 1000 . 1 . 1 105 105 THR CA C 13 61.175 0.21 . 1 . . 869 . A 130 THR CA . 34627 1 1001 . 1 . 1 105 105 THR CB C 13 71.520 0.096 . 1 . . 871 . A 130 THR CB . 34627 1 1002 . 1 . 1 105 105 THR CG2 C 13 21.159 0.211 . 1 . . 873 . A 130 THR CG2 . 34627 1 1003 . 1 . 1 105 105 THR N N 15 115.179 0.013 . 1 . . 867 . A 130 THR N . 34627 1 1004 . 1 . 1 106 106 ILE H H 1 8.565 0.002 . 1 . . 877 . A 131 ILE H . 34627 1 1005 . 1 . 1 106 106 ILE HA H 1 3.844 0.011 . 1 . . 879 . A 131 ILE HA . 34627 1 1006 . 1 . 1 106 106 ILE HB H 1 2.050 0.013 . 1 . . 881 . A 131 ILE HB . 34627 1 1007 . 1 . 1 106 106 ILE HG12 H 1 0.682 0.027 . 2 . . 884 . A 131 ILE HG12 . 34627 1 1008 . 1 . 1 106 106 ILE HG13 H 1 0.688 0.025 . 2 . . 883 . A 131 ILE HG13 . 34627 1 1009 . 1 . 1 106 106 ILE HG21 H 1 0.704 0.029 . 1 . . 888 . A 131 ILE HG21 . 34627 1 1010 . 1 . 1 106 106 ILE HG22 H 1 0.704 0.029 . 1 . . 888 . A 131 ILE HG22 . 34627 1 1011 . 1 . 1 106 106 ILE HG23 H 1 0.704 0.029 . 1 . . 888 . A 131 ILE HG23 . 34627 1 1012 . 1 . 1 106 106 ILE HD11 H 1 0.538 0.024 . 1 . . 886 . A 131 ILE HD11 . 34627 1 1013 . 1 . 1 106 106 ILE HD12 H 1 0.538 0.024 . 1 . . 886 . A 131 ILE HD12 . 34627 1 1014 . 1 . 1 106 106 ILE HD13 H 1 0.538 0.024 . 1 . . 886 . A 131 ILE HD13 . 34627 1 1015 . 1 . 1 106 106 ILE C C 13 175.427 0.0 . 1 . . 889 . A 131 ILE C . 34627 1 1016 . 1 . 1 106 106 ILE CA C 13 63.572 0.154 . 1 . . 878 . A 131 ILE CA . 34627 1 1017 . 1 . 1 106 106 ILE CB C 13 37.110 0.124 . 1 . . 880 . A 131 ILE CB . 34627 1 1018 . 1 . 1 106 106 ILE CG1 C 13 27.836 0.011 . 1 . . 882 . A 131 ILE CG1 . 34627 1 1019 . 1 . 1 106 106 ILE CG2 C 13 17.885 0.321 . 1 . . 887 . A 131 ILE CG2 . 34627 1 1020 . 1 . 1 106 106 ILE CD1 C 13 14.129 0.264 . 1 . . 885 . A 131 ILE CD1 . 34627 1 1021 . 1 . 1 106 106 ILE N N 15 124.363 0.023 . 1 . . 876 . A 131 ILE N . 34627 1 1022 . 1 . 1 107 107 LYS H H 1 9.179 0.005 . 1 . . 891 . A 132 LYS H . 34627 1 1023 . 1 . 1 107 107 LYS HA H 1 4.615 0.019 . 1 . . 893 . A 132 LYS HA . 34627 1 1024 . 1 . 1 107 107 LYS HB2 H 1 1.462 0.01 . 2 . . 896 . A 132 LYS HB2 . 34627 1 1025 . 1 . 1 107 107 LYS HB3 H 1 1.748 0.02 . 2 . . 895 . A 132 LYS HB3 . 34627 1 1026 . 1 . 1 107 107 LYS HG2 H 1 1.343 0.019 . 2 . . 899 . A 132 LYS HG2 . 34627 1 1027 . 1 . 1 107 107 LYS HG3 H 1 1.455 0.015 . 2 . . 898 . A 132 LYS HG3 . 34627 1 1028 . 1 . 1 107 107 LYS HD2 H 1 1.605 0.024 . 2 . . 902 . A 132 LYS HD2 . 34627 1 1029 . 1 . 1 107 107 LYS HD3 H 1 1.614 0.022 . 2 . . 901 . A 132 LYS HD3 . 34627 1 1030 . 1 . 1 107 107 LYS HE2 H 1 2.955 0.01 . 2 . . 905 . A 132 LYS HE2 . 34627 1 1031 . 1 . 1 107 107 LYS HE3 H 1 2.812 0.013 . 2 . . 904 . A 132 LYS HE3 . 34627 1 1032 . 1 . 1 107 107 LYS C C 13 176.170 0.0 . 1 . . 906 . A 132 LYS C . 34627 1 1033 . 1 . 1 107 107 LYS CA C 13 55.544 0.0 . 1 . . 892 . A 132 LYS CA . 34627 1 1034 . 1 . 1 107 107 LYS CB C 13 33.701 0.222 . 1 . . 894 . A 132 LYS CB . 34627 1 1035 . 1 . 1 107 107 LYS CG C 13 24.571 0.194 . 1 . . 897 . A 132 LYS CG . 34627 1 1036 . 1 . 1 107 107 LYS CD C 13 27.435 0.133 . 1 . . 900 . A 132 LYS CD . 34627 1 1037 . 1 . 1 107 107 LYS CE C 13 41.770 0.091 . 1 . . 903 . A 132 LYS CE . 34627 1 1038 . 1 . 1 107 107 LYS N N 15 129.760 0.021 . 1 . . 890 . A 132 LYS N . 34627 1 1039 . 1 . 1 108 108 ARG H H 1 7.752 0.001 . 1 . . 908 . A 133 ARG H . 34627 1 1040 . 1 . 1 108 108 ARG HA H 1 4.582 0.016 . 1 . . 910 . A 133 ARG HA . 34627 1 1041 . 1 . 1 108 108 ARG HB2 H 1 1.689 0.033 . 2 . . 913 . A 133 ARG HB2 . 34627 1 1042 . 1 . 1 108 108 ARG HB3 H 1 1.779 0.019 . 2 . . 912 . A 133 ARG HB3 . 34627 1 1043 . 1 . 1 108 108 ARG HG2 H 1 1.544 0.032 . 2 . . 916 . A 133 ARG HG2 . 34627 1 1044 . 1 . 1 108 108 ARG HG3 H 1 1.729 0.016 . 2 . . 915 . A 133 ARG HG3 . 34627 1 1045 . 1 . 1 108 108 ARG HD2 H 1 3.164 0.018 . 2 . . 919 . A 133 ARG HD2 . 34627 1 1046 . 1 . 1 108 108 ARG HD3 H 1 3.182 0.031 . 2 . . 918 . A 133 ARG HD3 . 34627 1 1047 . 1 . 1 108 108 ARG C C 13 173.467 . . 1 . . 920 . A 133 ARG C . 34627 1 1048 . 1 . 1 108 108 ARG CA C 13 56.038 0.0 . 1 . . 909 . A 133 ARG CA . 34627 1 1049 . 1 . 1 108 108 ARG CB C 13 34.895 0.053 . 1 . . 911 . A 133 ARG CB . 34627 1 1050 . 1 . 1 108 108 ARG CG C 13 27.375 0.143 . 1 . . 914 . A 133 ARG CG . 34627 1 1051 . 1 . 1 108 108 ARG CD C 13 43.731 0.065 . 1 . . 917 . A 133 ARG CD . 34627 1 1052 . 1 . 1 108 108 ARG N N 15 116.415 0.023 . 1 . . 907 . A 133 ARG N . 34627 1 1053 . 1 . 1 109 109 ILE H H 1 9.002 0.004 . 1 . . 922 . A 134 ILE H . 34627 1 1054 . 1 . 1 109 109 ILE HA H 1 4.293 0.02 . 1 . . 924 . A 134 ILE HA . 34627 1 1055 . 1 . 1 109 109 ILE HB H 1 1.735 0.015 . 1 . . 926 . A 134 ILE HB . 34627 1 1056 . 1 . 1 109 109 ILE HG12 H 1 1.471 0.024 . 2 . . 929 . A 134 ILE HG12 . 34627 1 1057 . 1 . 1 109 109 ILE HG13 H 1 0.951 0.027 . 2 . . 928 . A 134 ILE HG13 . 34627 1 1058 . 1 . 1 109 109 ILE HG21 H 1 0.893 0.027 . 1 . . 933 . A 134 ILE HG21 . 34627 1 1059 . 1 . 1 109 109 ILE HG22 H 1 0.893 0.027 . 1 . . 933 . A 134 ILE HG22 . 34627 1 1060 . 1 . 1 109 109 ILE HG23 H 1 0.893 0.027 . 1 . . 933 . A 134 ILE HG23 . 34627 1 1061 . 1 . 1 109 109 ILE HD11 H 1 0.669 0.013 . 1 . . 931 . A 134 ILE HD11 . 34627 1 1062 . 1 . 1 109 109 ILE HD12 H 1 0.669 0.013 . 1 . . 931 . A 134 ILE HD12 . 34627 1 1063 . 1 . 1 109 109 ILE HD13 H 1 0.669 0.013 . 1 . . 931 . A 134 ILE HD13 . 34627 1 1064 . 1 . 1 109 109 ILE C C 13 173.647 . . 1 . . 934 . A 134 ILE C . 34627 1 1065 . 1 . 1 109 109 ILE CA C 13 61.661 0.015 . 1 . . 923 . A 134 ILE CA . 34627 1 1066 . 1 . 1 109 109 ILE CB C 13 38.757 0.034 . 1 . . 925 . A 134 ILE CB . 34627 1 1067 . 1 . 1 109 109 ILE CG1 C 13 28.043 0.309 . 1 . . 927 . A 134 ILE CG1 . 34627 1 1068 . 1 . 1 109 109 ILE CG2 C 13 18.289 0.045 . 1 . . 932 . A 134 ILE CG2 . 34627 1 1069 . 1 . 1 109 109 ILE CD1 C 13 13.938 0.018 . 1 . . 930 . A 134 ILE CD1 . 34627 1 1070 . 1 . 1 109 109 ILE N N 15 126.400 0.017 . 1 . . 921 . A 134 ILE N . 34627 1 1071 . 1 . 1 110 110 MET H H 1 8.687 0.018 . 1 . . 936 . A 135 MET H . 34627 1 1072 . 1 . 1 110 110 MET C C 13 172.904 . . 1 . . 939 . A 135 MET C . 34627 1 1073 . 1 . 1 110 110 MET CA C 13 54.031 0.0 . 1 . . 937 . A 135 MET CA . 34627 1 1074 . 1 . 1 110 110 MET CB C 13 32.730 . . 1 . . 938 . A 135 MET CB . 34627 1 1075 . 1 . 1 110 110 MET N N 15 126.196 0.224 . 1 . . 935 . A 135 MET N . 34627 1 1076 . 1 . 1 111 111 PRO HA H 1 4.157 0.011 . 1 . . 941 . A 136 PRO HA . 34627 1 1077 . 1 . 1 111 111 PRO HB2 H 1 2.128 0.006 . 2 . . 944 . A 136 PRO HB2 . 34627 1 1078 . 1 . 1 111 111 PRO HB3 H 1 1.721 0.004 . 2 . . 943 . A 136 PRO HB3 . 34627 1 1079 . 1 . 1 111 111 PRO HG2 H 1 1.985 0.015 . 2 . . 947 . A 136 PRO HG2 . 34627 1 1080 . 1 . 1 111 111 PRO HG3 H 1 1.490 0.013 . 2 . . 946 . A 136 PRO HG3 . 34627 1 1081 . 1 . 1 111 111 PRO HD2 H 1 3.541 0.025 . 2 . . 950 . A 136 PRO HD2 . 34627 1 1082 . 1 . 1 111 111 PRO HD3 H 1 3.484 0.019 . 2 . . 949 . A 136 PRO HD3 . 34627 1 1083 . 1 . 1 111 111 PRO C C 13 177.003 . . 1 . . 951 . A 136 PRO C . 34627 1 1084 . 1 . 1 111 111 PRO CA C 13 65.209 0.067 . 1 . . 940 . A 136 PRO CA . 34627 1 1085 . 1 . 1 111 111 PRO CB C 13 31.177 0.021 . 1 . . 942 . A 136 PRO CB . 34627 1 1086 . 1 . 1 111 111 PRO CG C 13 27.951 0.229 . 1 . . 945 . A 136 PRO CG . 34627 1 1087 . 1 . 1 111 111 PRO CD C 13 49.827 0.01 . 1 . . 948 . A 136 PRO CD . 34627 1 1088 . 1 . 1 112 112 GLY H H 1 7.907 0.01 . 1 . . 953 . A 137 GLY H . 34627 1 1089 . 1 . 1 112 112 GLY HA2 H 1 3.682 0.022 . 2 . . 956 . A 137 GLY HA2 . 34627 1 1090 . 1 . 1 112 112 GLY HA3 H 1 4.360 0.007 . 2 . . 955 . A 137 GLY HA3 . 34627 1 1091 . 1 . 1 112 112 GLY C C 13 174.909 . . 1 . . 957 . A 137 GLY C . 34627 1 1092 . 1 . 1 112 112 GLY CA C 13 45.008 0.283 . 1 . . 954 . A 137 GLY CA . 34627 1 1093 . 1 . 1 112 112 GLY N N 15 101.340 0.02 . 1 . . 952 . A 137 GLY N . 34627 1 1094 . 1 . 1 113 113 GLY H H 1 7.661 0.003 . 1 . . 959 . A 138 GLY H . 34627 1 1095 . 1 . 1 113 113 GLY HA2 H 1 3.830 0.022 . 2 . . 962 . A 138 GLY HA2 . 34627 1 1096 . 1 . 1 113 113 GLY HA3 H 1 4.571 0.007 . 2 . . 961 . A 138 GLY HA3 . 34627 1 1097 . 1 . 1 113 113 GLY C C 13 169.796 0.0 . 1 . . 963 . A 138 GLY C . 34627 1 1098 . 1 . 1 113 113 GLY CA C 13 46.334 0.015 . 1 . . 960 . A 138 GLY CA . 34627 1 1099 . 1 . 1 113 113 GLY N N 15 108.043 0.016 . 1 . . 958 . A 138 GLY N . 34627 1 1100 . 1 . 1 114 114 VAL H H 1 8.679 0.017 . 1 . . 965 . A 139 VAL H . 34627 1 1101 . 1 . 1 114 114 VAL HA H 1 4.970 0.017 . 1 . . 967 . A 139 VAL HA . 34627 1 1102 . 1 . 1 114 114 VAL HB H 1 2.027 0.027 . 1 . . 969 . A 139 VAL HB . 34627 1 1103 . 1 . 1 114 114 VAL HG11 H 1 0.937 0.022 . 2 . . 973 . A 139 VAL HG11 . 34627 1 1104 . 1 . 1 114 114 VAL HG12 H 1 0.937 0.022 . 2 . . 973 . A 139 VAL HG12 . 34627 1 1105 . 1 . 1 114 114 VAL HG13 H 1 0.937 0.022 . 2 . . 973 . A 139 VAL HG13 . 34627 1 1106 . 1 . 1 114 114 VAL HG21 H 1 0.882 0.035 . 2 . . 971 . A 139 VAL HG21 . 34627 1 1107 . 1 . 1 114 114 VAL HG22 H 1 0.882 0.035 . 2 . . 971 . A 139 VAL HG22 . 34627 1 1108 . 1 . 1 114 114 VAL HG23 H 1 0.882 0.035 . 2 . . 971 . A 139 VAL HG23 . 34627 1 1109 . 1 . 1 114 114 VAL C C 13 173.737 0.0 . 1 . . 974 . A 139 VAL C . 34627 1 1110 . 1 . 1 114 114 VAL CA C 13 60.206 0.808 . 1 . . 966 . A 139 VAL CA . 34627 1 1111 . 1 . 1 114 114 VAL CB C 13 36.186 0.057 . 1 . . 968 . A 139 VAL CB . 34627 1 1112 . 1 . 1 114 114 VAL CG1 C 13 23.125 0.0 . 2 . . 972 . A 139 VAL CG1 . 34627 1 1113 . 1 . 1 114 114 VAL CG2 C 13 22.489 . . 2 . . 970 . A 139 VAL CG2 . 34627 1 1114 . 1 . 1 114 114 VAL N N 15 113.086 0.012 . 1 . . 964 . A 139 VAL N . 34627 1 1115 . 1 . 1 115 115 LEU H H 1 8.787 0.008 . 1 . . 976 . A 140 LEU H . 34627 1 1116 . 1 . 1 115 115 LEU HA H 1 5.191 0.014 . 1 . . 978 . A 140 LEU HA . 34627 1 1117 . 1 . 1 115 115 LEU HB2 H 1 1.514 0.004 . 2 . . 981 . A 140 LEU HB2 . 34627 1 1118 . 1 . 1 115 115 LEU HB3 H 1 1.512 0.003 . 2 . . 980 . A 140 LEU HB3 . 34627 1 1119 . 1 . 1 115 115 LEU HG H 1 1.516 0.009 . 1 . . 983 . A 140 LEU HG . 34627 1 1120 . 1 . 1 115 115 LEU HD11 H 1 0.835 0.021 . 2 . . 985 . A 140 LEU HD11 . 34627 1 1121 . 1 . 1 115 115 LEU HD12 H 1 0.835 0.021 . 2 . . 985 . A 140 LEU HD12 . 34627 1 1122 . 1 . 1 115 115 LEU HD13 H 1 0.835 0.021 . 2 . . 985 . A 140 LEU HD13 . 34627 1 1123 . 1 . 1 115 115 LEU HD21 H 1 0.802 0.016 . 2 . . 987 . A 140 LEU HD21 . 34627 1 1124 . 1 . 1 115 115 LEU HD22 H 1 0.802 0.016 . 2 . . 987 . A 140 LEU HD22 . 34627 1 1125 . 1 . 1 115 115 LEU HD23 H 1 0.802 0.016 . 2 . . 987 . A 140 LEU HD23 . 34627 1 1126 . 1 . 1 115 115 LEU C C 13 176.755 . . 1 . . 988 . A 140 LEU C . 34627 1 1127 . 1 . 1 115 115 LEU CA C 13 53.552 0.234 . 1 . . 977 . A 140 LEU CA . 34627 1 1128 . 1 . 1 115 115 LEU CB C 13 44.498 0.01 . 1 . . 979 . A 140 LEU CB . 34627 1 1129 . 1 . 1 115 115 LEU CG C 13 26.901 0.592 . 1 . . 982 . A 140 LEU CG . 34627 1 1130 . 1 . 1 115 115 LEU CD1 C 13 24.988 0.0 . 2 . . 984 . A 140 LEU CD1 . 34627 1 1131 . 1 . 1 115 115 LEU CD2 C 13 24.857 . . 2 . . 986 . A 140 LEU CD2 . 34627 1 1132 . 1 . 1 115 115 LEU N N 15 123.850 0.116 . 1 . . 975 . A 140 LEU N . 34627 1 1133 . 1 . 1 116 116 VAL H H 1 9.361 0.006 . 1 . . 990 . A 141 VAL H . 34627 1 1134 . 1 . 1 116 116 VAL HA H 1 5.259 0.017 . 1 . . 992 . A 141 VAL HA . 34627 1 1135 . 1 . 1 116 116 VAL HB H 1 1.762 0.014 . 1 . . 994 . A 141 VAL HB . 34627 1 1136 . 1 . 1 116 116 VAL HG11 H 1 0.633 0.024 . 2 . . 998 . A 141 VAL HG11 . 34627 1 1137 . 1 . 1 116 116 VAL HG12 H 1 0.633 0.024 . 2 . . 998 . A 141 VAL HG12 . 34627 1 1138 . 1 . 1 116 116 VAL HG13 H 1 0.633 0.024 . 2 . . 998 . A 141 VAL HG13 . 34627 1 1139 . 1 . 1 116 116 VAL HG21 H 1 0.637 0.025 . 2 . . 996 . A 141 VAL HG21 . 34627 1 1140 . 1 . 1 116 116 VAL HG22 H 1 0.637 0.025 . 2 . . 996 . A 141 VAL HG22 . 34627 1 1141 . 1 . 1 116 116 VAL HG23 H 1 0.637 0.025 . 2 . . 996 . A 141 VAL HG23 . 34627 1 1142 . 1 . 1 116 116 VAL C C 13 172.904 . . 1 . . 999 . A 141 VAL C . 34627 1 1143 . 1 . 1 116 116 VAL CA C 13 -17.046 0.001 . 1 . . 991 . A 141 VAL CA . 34627 1 1144 . 1 . 1 116 116 VAL CB C 13 33.975 0.347 . 1 . . 993 . A 141 VAL CB . 34627 1 1145 . 1 . 1 116 116 VAL CG1 C 13 18.799 0.0 . 2 . . 997 . A 141 VAL CG1 . 34627 1 1146 . 1 . 1 116 116 VAL CG2 C 13 21.918 0.0 . 2 . . 995 . A 141 VAL CG2 . 34627 1 1147 . 1 . 1 116 116 VAL N N 15 118.813 0.125 . 1 . . 989 . A 141 VAL N . 34627 1 1148 . 1 . 1 117 117 GLU H H 1 8.963 0.02 . 1 . . 1001 . A 142 GLU H . 34627 1 1149 . 1 . 1 117 117 GLU HA H 1 5.187 0.015 . 1 . . 1003 . A 142 GLU HA . 34627 1 1150 . 1 . 1 117 117 GLU HB2 H 1 1.674 0.037 . 2 . . 1006 . A 142 GLU HB2 . 34627 1 1151 . 1 . 1 117 117 GLU HB3 H 1 1.961 0.024 . 2 . . 1005 . A 142 GLU HB3 . 34627 1 1152 . 1 . 1 117 117 GLU HG2 H 1 2.013 0.028 . 2 . . 1009 . A 142 GLU HG2 . 34627 1 1153 . 1 . 1 117 117 GLU HG3 H 1 1.902 0.009 . 2 . . 1008 . A 142 GLU HG3 . 34627 1 1154 . 1 . 1 117 117 GLU C C 13 175.089 . . 1 . . 1010 . A 142 GLU C . 34627 1 1155 . 1 . 1 117 117 GLU CA C 13 54.485 0.08 . 1 . . 1002 . A 142 GLU CA . 34627 1 1156 . 1 . 1 117 117 GLU CB C 13 33.504 0.21 . 1 . . 1004 . A 142 GLU CB . 34627 1 1157 . 1 . 1 117 117 GLU CG C 13 36.790 0.19 . 1 . . 1007 . A 142 GLU CG . 34627 1 1158 . 1 . 1 117 117 GLU N N 15 122.288 0.024 . 1 . . 1000 . A 142 GLU N . 34627 1 1159 . 1 . 1 118 118 ARG H H 1 8.963 0.004 . 1 . . 1012 . A 143 ARG H . 34627 1 1160 . 1 . 1 118 118 ARG C C 13 174.999 . . 1 . . 1015 . A 143 ARG C . 34627 1 1161 . 1 . 1 118 118 ARG CA C 13 55.460 . . 1 . . 1013 . A 143 ARG CA . 34627 1 1162 . 1 . 1 118 118 ARG CB C 13 33.096 . . 1 . . 1014 . A 143 ARG CB . 34627 1 1163 . 1 . 1 118 118 ARG N N 15 127.530 0.021 . 1 . . 1011 . A 143 ARG N . 34627 1 1164 . 1 . 1 119 119 ASP HA H 1 4.309 0.004 . 1 . . 1017 . A 144 ASP HA . 34627 1 1165 . 1 . 1 119 119 ASP HB2 H 1 2.574 . . 2 . . 1020 . A 144 ASP HB2 . 34627 1 1166 . 1 . 1 119 119 ASP HB3 H 1 2.939 0.005 . 2 . . 1019 . A 144 ASP HB3 . 34627 1 1167 . 1 . 1 119 119 ASP C C 13 176.125 0.0 . 1 . . 1021 . A 144 ASP C . 34627 1 1168 . 1 . 1 119 119 ASP CA C 13 55.463 0.045 . 1 . . 1016 . A 144 ASP CA . 34627 1 1169 . 1 . 1 119 119 ASP CB C 13 39.508 0.002 . 1 . . 1018 . A 144 ASP CB . 34627 1 1170 . 1 . 1 120 120 GLY H H 1 8.806 0.018 . 1 . . 1023 . A 145 GLY H . 34627 1 1171 . 1 . 1 120 120 GLY HA2 H 1 3.639 0.001 . 2 . . 1026 . A 145 GLY HA2 . 34627 1 1172 . 1 . 1 120 120 GLY HA3 H 1 4.194 0.013 . 2 . . 1025 . A 145 GLY HA3 . 34627 1 1173 . 1 . 1 120 120 GLY C C 13 174.165 0.0 . 1 . . 1027 . A 145 GLY C . 34627 1 1174 . 1 . 1 120 120 GLY CA C 13 45.655 0.027 . 1 . . 1024 . A 145 GLY CA . 34627 1 1175 . 1 . 1 120 120 GLY N N 15 104.448 0.017 . 1 . . 1022 . A 145 GLY N . 34627 1 1176 . 1 . 1 121 121 THR H H 1 7.934 0.002 . 1 . . 1029 . A 146 THR H . 34627 1 1177 . 1 . 1 121 121 THR HA H 1 3.327 0.001 . 1 . . 1031 . A 146 THR HA . 34627 1 1178 . 1 . 1 121 121 THR HB H 1 4.171 0.001 . 1 . . 1033 . A 146 THR HB . 34627 1 1179 . 1 . 1 121 121 THR HG21 H 1 1.241 0.004 . 1 . . 1035 . A 146 THR HG21 . 34627 1 1180 . 1 . 1 121 121 THR HG22 H 1 1.241 0.004 . 1 . . 1035 . A 146 THR HG22 . 34627 1 1181 . 1 . 1 121 121 THR HG23 H 1 1.241 0.004 . 1 . . 1035 . A 146 THR HG23 . 34627 1 1182 . 1 . 1 121 121 THR C C 13 172.747 0.0 . 1 . . 1036 . A 146 THR C . 34627 1 1183 . 1 . 1 121 121 THR CA C 13 66.084 0.033 . 1 . . 1030 . A 146 THR CA . 34627 1 1184 . 1 . 1 121 121 THR CB C 13 70.888 0.003 . 1 . . 1032 . A 146 THR CB . 34627 1 1185 . 1 . 1 121 121 THR CG2 C 13 21.792 0.0 . 1 . . 1034 . A 146 THR CG2 . 34627 1 1186 . 1 . 1 121 121 THR N N 15 117.057 0.022 . 1 . . 1028 . A 146 THR N . 34627 1 1187 . 1 . 1 122 122 LEU H H 1 8.496 0.001 . 1 . . 1038 . A 147 LEU H . 34627 1 1188 . 1 . 1 122 122 LEU HA H 1 5.191 0.009 . 1 . . 1040 . A 147 LEU HA . 34627 1 1189 . 1 . 1 122 122 LEU HB2 H 1 1.378 0.03 . 2 . . 1043 . A 147 LEU HB2 . 34627 1 1190 . 1 . 1 122 122 LEU HB3 H 1 1.730 0.02 . 2 . . 1042 . A 147 LEU HB3 . 34627 1 1191 . 1 . 1 122 122 LEU HG H 1 1.650 0.008 . 1 . . 1045 . A 147 LEU HG . 34627 1 1192 . 1 . 1 122 122 LEU HD11 H 1 0.819 0.035 . 2 . . 1047 . A 147 LEU HD11 . 34627 1 1193 . 1 . 1 122 122 LEU HD12 H 1 0.819 0.035 . 2 . . 1047 . A 147 LEU HD12 . 34627 1 1194 . 1 . 1 122 122 LEU HD13 H 1 0.819 0.035 . 2 . . 1047 . A 147 LEU HD13 . 34627 1 1195 . 1 . 1 122 122 LEU HD21 H 1 0.781 0.029 . 2 . . 1049 . A 147 LEU HD21 . 34627 1 1196 . 1 . 1 122 122 LEU HD22 H 1 0.781 0.029 . 2 . . 1049 . A 147 LEU HD22 . 34627 1 1197 . 1 . 1 122 122 LEU HD23 H 1 0.781 0.029 . 2 . . 1049 . A 147 LEU HD23 . 34627 1 1198 . 1 . 1 122 122 LEU C C 13 176.080 . . 1 . . 1050 . A 147 LEU C . 34627 1 1199 . 1 . 1 122 122 LEU CA C 13 54.331 0.101 . 1 . . 1039 . A 147 LEU CA . 34627 1 1200 . 1 . 1 122 122 LEU CB C 13 43.621 0.062 . 1 . . 1041 . A 147 LEU CB . 34627 1 1201 . 1 . 1 122 122 LEU CG C 13 27.012 0.024 . 1 . . 1044 . A 147 LEU CG . 34627 1 1202 . 1 . 1 122 122 LEU CD1 C 13 25.079 . . 2 . . 1046 . A 147 LEU CD1 . 34627 1 1203 . 1 . 1 122 122 LEU CD2 C 13 23.898 0.0 . 2 . . 1048 . A 147 LEU CD2 . 34627 1 1204 . 1 . 1 122 122 LEU N N 15 126.305 0.022 . 1 . . 1037 . A 147 LEU N . 34627 1 1205 . 1 . 1 123 123 GLU H H 1 9.109 0.027 . 1 . . 1052 . A 148 GLU H . 34627 1 1206 . 1 . 1 123 123 GLU HA H 1 4.958 0.019 . 1 . . 1054 . A 148 GLU HA . 34627 1 1207 . 1 . 1 123 123 GLU HB2 H 1 1.718 0.018 . 2 . . 1057 . A 148 GLU HB2 . 34627 1 1208 . 1 . 1 123 123 GLU HB3 H 1 1.933 0.009 . 2 . . 1056 . A 148 GLU HB3 . 34627 1 1209 . 1 . 1 123 123 GLU HG2 H 1 2.086 0.017 . 2 . . 1060 . A 148 GLU HG2 . 34627 1 1210 . 1 . 1 123 123 GLU HG3 H 1 2.052 0.024 . 2 . . 1059 . A 148 GLU HG3 . 34627 1 1211 . 1 . 1 123 123 GLU C C 13 174.706 . . 1 . . 1061 . A 148 GLU C . 34627 1 1212 . 1 . 1 123 123 GLU CA C 13 54.541 0.015 . 1 . . 1053 . A 148 GLU CA . 34627 1 1213 . 1 . 1 123 123 GLU CB C 13 33.824 0.299 . 1 . . 1055 . A 148 GLU CB . 34627 1 1214 . 1 . 1 123 123 GLU CG C 13 36.264 0.133 . 1 . . 1058 . A 148 GLU CG . 34627 1 1215 . 1 . 1 123 123 GLU N N 15 121.211 0.038 . 1 . . 1051 . A 148 GLU N . 34627 1 1216 . 1 . 1 124 124 SER H H 1 8.715 0.022 . 1 . . 1063 . A 149 SER H . 34627 1 1217 . 1 . 1 124 124 SER HA H 1 5.310 0.011 . 1 . . 1065 . A 149 SER HA . 34627 1 1218 . 1 . 1 124 124 SER HB2 H 1 3.577 0.032 . 2 . . 1068 . A 149 SER HB2 . 34627 1 1219 . 1 . 1 124 124 SER HB3 H 1 3.641 0.007 . 2 . . 1067 . A 149 SER HB3 . 34627 1 1220 . 1 . 1 124 124 SER C C 13 174.165 0.0 . 1 . . 1069 . A 149 SER C . 34627 1 1221 . 1 . 1 124 124 SER CA C 13 56.639 0.005 . 1 . . 1064 . A 149 SER CA . 34627 1 1222 . 1 . 1 124 124 SER CB C 13 65.607 0.019 . 1 . . 1066 . A 149 SER CB . 34627 1 1223 . 1 . 1 124 124 SER N N 15 115.332 0.009 . 1 . . 1062 . A 149 SER N . 34627 1 1224 . 1 . 1 125 125 LEU H H 1 8.785 0.002 . 1 . . 1071 . A 150 LEU H . 34627 1 1225 . 1 . 1 125 125 LEU HA H 1 4.801 0.003 . 1 . . 1073 . A 150 LEU HA . 34627 1 1226 . 1 . 1 125 125 LEU HB2 H 1 1.515 0.003 . 2 . . 1076 . A 150 LEU HB2 . 34627 1 1227 . 1 . 1 125 125 LEU HB3 H 1 1.520 0.002 . 2 . . 1075 . A 150 LEU HB3 . 34627 1 1228 . 1 . 1 125 125 LEU HG H 1 1.540 0.012 . 1 . . 1078 . A 150 LEU HG . 34627 1 1229 . 1 . 1 125 125 LEU HD11 H 1 0.641 0.015 . 2 . . 1080 . A 150 LEU HD11 . 34627 1 1230 . 1 . 1 125 125 LEU HD12 H 1 0.641 0.015 . 2 . . 1080 . A 150 LEU HD12 . 34627 1 1231 . 1 . 1 125 125 LEU HD13 H 1 0.641 0.015 . 2 . . 1080 . A 150 LEU HD13 . 34627 1 1232 . 1 . 1 125 125 LEU HD21 H 1 0.809 0.01 . 2 . . 1082 . A 150 LEU HD21 . 34627 1 1233 . 1 . 1 125 125 LEU HD22 H 1 0.809 0.01 . 2 . . 1082 . A 150 LEU HD22 . 34627 1 1234 . 1 . 1 125 125 LEU HD23 H 1 0.809 0.01 . 2 . . 1082 . A 150 LEU HD23 . 34627 1 1235 . 1 . 1 125 125 LEU C C 13 175.787 0.0 . 1 . . 1083 . A 150 LEU C . 34627 1 1236 . 1 . 1 125 125 LEU CA C 13 54.148 0.001 . 1 . . 1072 . A 150 LEU CA . 34627 1 1237 . 1 . 1 125 125 LEU CB C 13 44.502 0.007 . 1 . . 1074 . A 150 LEU CB . 34627 1 1238 . 1 . 1 125 125 LEU CG C 13 27.045 0.509 . 1 . . 1077 . A 150 LEU CG . 34627 1 1239 . 1 . 1 125 125 LEU CD1 C 13 25.443 . . 2 . . 1079 . A 150 LEU CD1 . 34627 1 1240 . 1 . 1 125 125 LEU CD2 C 13 24.979 0.0 . 2 . . 1081 . A 150 LEU CD2 . 34627 1 1241 . 1 . 1 125 125 LEU N N 15 124.126 0.185 . 1 . . 1070 . A 150 LEU N . 34627 1 1242 . 1 . 1 126 126 SER H H 1 8.645 0.01 . 1 . . 1085 . A 151 SER H . 34627 1 1243 . 1 . 1 126 126 SER HA H 1 4.932 0.004 . 1 . . 1087 . A 151 SER HA . 34627 1 1244 . 1 . 1 126 126 SER HB2 H 1 3.817 0.035 . 2 . . 1090 . A 151 SER HB2 . 34627 1 1245 . 1 . 1 126 126 SER HB3 H 1 3.890 0.008 . 2 . . 1089 . A 151 SER HB3 . 34627 1 1246 . 1 . 1 126 126 SER C C 13 174.301 0.0 . 1 . . 1091 . A 151 SER C . 34627 1 1247 . 1 . 1 126 126 SER CA C 13 57.830 0.012 . 1 . . 1086 . A 151 SER CA . 34627 1 1248 . 1 . 1 126 126 SER CB C 13 65.348 0.026 . 1 . . 1088 . A 151 SER CB . 34627 1 1249 . 1 . 1 126 126 SER N N 15 117.274 0.017 . 1 . . 1084 . A 151 SER N . 34627 1 1250 . 1 . 1 127 127 LEU H H 1 7.988 0.014 . 1 . . 1093 . A 152 LEU H . 34627 1 1251 . 1 . 1 127 127 LEU HA H 1 4.441 0.007 . 1 . . 1095 . A 152 LEU HA . 34627 1 1252 . 1 . 1 127 127 LEU HB2 H 1 1.498 0.022 . 2 . . 1098 . A 152 LEU HB2 . 34627 1 1253 . 1 . 1 127 127 LEU HB3 H 1 1.601 0.018 . 2 . . 1097 . A 152 LEU HB3 . 34627 1 1254 . 1 . 1 127 127 LEU HG H 1 1.500 0.021 . 1 . . 1100 . A 152 LEU HG . 34627 1 1255 . 1 . 1 127 127 LEU HD11 H 1 0.970 0.028 . 2 . . 1102 . A 152 LEU HD11 . 34627 1 1256 . 1 . 1 127 127 LEU HD12 H 1 0.970 0.028 . 2 . . 1102 . A 152 LEU HD12 . 34627 1 1257 . 1 . 1 127 127 LEU HD13 H 1 0.970 0.028 . 2 . . 1102 . A 152 LEU HD13 . 34627 1 1258 . 1 . 1 127 127 LEU HD21 H 1 0.817 0.016 . 2 . . 1104 . A 152 LEU HD21 . 34627 1 1259 . 1 . 1 127 127 LEU HD22 H 1 0.817 0.016 . 2 . . 1104 . A 152 LEU HD22 . 34627 1 1260 . 1 . 1 127 127 LEU HD23 H 1 0.817 0.016 . 2 . . 1104 . A 152 LEU HD23 . 34627 1 1261 . 1 . 1 127 127 LEU C C 13 174.886 . . 1 . . 1105 . A 152 LEU C . 34627 1 1262 . 1 . 1 127 127 LEU CA C 13 53.527 0.012 . 1 . . 1094 . A 152 LEU CA . 34627 1 1263 . 1 . 1 127 127 LEU CB C 13 41.944 0.102 . 1 . . 1096 . A 152 LEU CB . 34627 1 1264 . 1 . 1 127 127 LEU CG C 13 27.047 0.583 . 1 . . 1099 . A 152 LEU CG . 34627 1 1265 . 1 . 1 127 127 LEU CD1 C 13 25.510 . . 2 . . 1101 . A 152 LEU CD1 . 34627 1 1266 . 1 . 1 127 127 LEU CD2 C 13 24.586 0.0 . 2 . . 1103 . A 152 LEU CD2 . 34627 1 1267 . 1 . 1 127 127 LEU N N 15 124.467 0.006 . 1 . . 1092 . A 152 LEU N . 34627 1 1268 . 1 . 1 128 128 PRO HA H 1 4.430 0.013 . 1 . . 1107 . A 153 PRO HA . 34627 1 1269 . 1 . 1 128 128 PRO HB2 H 1 1.907 0.009 . 2 . . 1110 . A 153 PRO HB2 . 34627 1 1270 . 1 . 1 128 128 PRO HB3 H 1 2.301 0.025 . 2 . . 1109 . A 153 PRO HB3 . 34627 1 1271 . 1 . 1 128 128 PRO HG2 H 1 1.995 0.011 . 2 . . 1113 . A 153 PRO HG2 . 34627 1 1272 . 1 . 1 128 128 PRO HG3 H 1 1.994 0.012 . 2 . . 1112 . A 153 PRO HG3 . 34627 1 1273 . 1 . 1 128 128 PRO HD2 H 1 3.803 0.017 . 2 . . 1116 . A 153 PRO HD2 . 34627 1 1274 . 1 . 1 128 128 PRO HD3 H 1 3.625 0.024 . 2 . . 1115 . A 153 PRO HD3 . 34627 1 1275 . 1 . 1 128 128 PRO C C 13 176.553 0.0 . 1 . . 1117 . A 153 PRO C . 34627 1 1276 . 1 . 1 128 128 PRO CA C 13 63.083 0.063 . 1 . . 1106 . A 153 PRO CA . 34627 1 1277 . 1 . 1 128 128 PRO CB C 13 32.026 0.064 . 1 . . 1108 . A 153 PRO CB . 34627 1 1278 . 1 . 1 128 128 PRO CG C 13 27.407 0.004 . 1 . . 1111 . A 153 PRO CG . 34627 1 1279 . 1 . 1 128 128 PRO CD C 13 50.845 0.132 . 1 . . 1114 . A 153 PRO CD . 34627 1 1280 . 1 . 1 129 129 LYS H H 1 8.301 0.025 . 1 . . 1119 . A 154 LYS H . 34627 1 1281 . 1 . 1 129 129 LYS HA H 1 4.338 0.01 . 1 . . 1121 . A 154 LYS HA . 34627 1 1282 . 1 . 1 129 129 LYS HB2 H 1 1.821 0.021 . 2 . . 1124 . A 154 LYS HB2 . 34627 1 1283 . 1 . 1 129 129 LYS HB3 H 1 1.758 0.021 . 2 . . 1123 . A 154 LYS HB3 . 34627 1 1284 . 1 . 1 129 129 LYS HG2 H 1 1.458 0.012 . 2 . . 1127 . A 154 LYS HG2 . 34627 1 1285 . 1 . 1 129 129 LYS HG3 H 1 1.432 0.028 . 2 . . 1126 . A 154 LYS HG3 . 34627 1 1286 . 1 . 1 129 129 LYS HD2 H 1 1.663 0.015 . 2 . . 1130 . A 154 LYS HD2 . 34627 1 1287 . 1 . 1 129 129 LYS HD3 H 1 1.660 0.015 . 2 . . 1129 . A 154 LYS HD3 . 34627 1 1288 . 1 . 1 129 129 LYS HE2 H 1 2.973 0.008 . 2 . . 1133 . A 154 LYS HE2 . 34627 1 1289 . 1 . 1 129 129 LYS HE3 H 1 2.966 0.006 . 2 . . 1132 . A 154 LYS HE3 . 34627 1 1290 . 1 . 1 129 129 LYS C C 13 176.305 . . 1 . . 1134 . A 154 LYS C . 34627 1 1291 . 1 . 1 129 129 LYS CA C 13 56.036 0.218 . 1 . . 1120 . A 154 LYS CA . 34627 1 1292 . 1 . 1 129 129 LYS CB C 13 33.298 0.147 . 1 . . 1122 . A 154 LYS CB . 34627 1 1293 . 1 . 1 129 129 LYS CG C 13 24.724 0.108 . 1 . . 1125 . A 154 LYS CG . 34627 1 1294 . 1 . 1 129 129 LYS CD C 13 29.179 0.041 . 1 . . 1128 . A 154 LYS CD . 34627 1 1295 . 1 . 1 129 129 LYS CE C 13 42.060 0.1 . 1 . . 1131 . A 154 LYS CE . 34627 1 1296 . 1 . 1 129 129 LYS N N 15 121.283 0.077 . 1 . . 1118 . A 154 LYS N . 34627 1 1297 . 1 . 1 130 130 ASN HA H 1 4.779 0.015 . 1 . . 1136 . A 155 ASN HA . 34627 1 1298 . 1 . 1 130 130 ASN HB2 H 1 2.758 0.0 . 2 . . 1139 . A 155 ASN HB2 . 34627 1 1299 . 1 . 1 130 130 ASN HB3 H 1 2.857 0.028 . 2 . . 1138 . A 155 ASN HB3 . 34627 1 1300 . 1 . 1 130 130 ASN C C 13 174.683 . . 1 . . 1140 . A 155 ASN C . 34627 1 1301 . 1 . 1 130 130 ASN CA C 13 53.253 0.086 . 1 . . 1135 . A 155 ASN CA . 34627 1 1302 . 1 . 1 130 130 ASN CB C 13 39.098 0.072 . 1 . . 1137 . A 155 ASN CB . 34627 1 1303 . 1 . 1 131 131 ASP H H 1 8.266 0.027 . 1 . . 1142 . A 156 ASP H . 34627 1 1304 . 1 . 1 131 131 ASP HA H 1 4.643 0.0 . 1 . . 1144 . A 156 ASP HA . 34627 1 1305 . 1 . 1 131 131 ASP HB2 H 1 2.608 0.004 . 2 . . 1147 . A 156 ASP HB2 . 34627 1 1306 . 1 . 1 131 131 ASP HB3 H 1 2.685 0.0 . 2 . . 1146 . A 156 ASP HB3 . 34627 1 1307 . 1 . 1 131 131 ASP C C 13 176.102 0.0 . 1 . . 1148 . A 156 ASP C . 34627 1 1308 . 1 . 1 131 131 ASP CA C 13 54.574 0.0 . 1 . . 1143 . A 156 ASP CA . 34627 1 1309 . 1 . 1 131 131 ASP CB C 13 41.150 0.119 . 1 . . 1145 . A 156 ASP CB . 34627 1 1310 . 1 . 1 131 131 ASP N N 15 120.452 0.105 . 1 . . 1141 . A 156 ASP N . 34627 1 1311 . 1 . 1 132 132 LEU H H 1 8.136 0.005 . 1 . . 1150 . A 157 LEU H . 34627 1 1312 . 1 . 1 132 132 LEU HA H 1 4.335 0.017 . 1 . . 1152 . A 157 LEU HA . 34627 1 1313 . 1 . 1 132 132 LEU HB2 H 1 1.591 0.022 . 2 . . 1155 . A 157 LEU HB2 . 34627 1 1314 . 1 . 1 132 132 LEU HB3 H 1 1.599 0.012 . 2 . . 1154 . A 157 LEU HB3 . 34627 1 1315 . 1 . 1 132 132 LEU HG H 1 1.586 0.02 . 1 . . 1157 . A 157 LEU HG . 34627 1 1316 . 1 . 1 132 132 LEU HD11 H 1 0.925 0.026 . 2 . . 1159 . A 157 LEU HD11 . 34627 1 1317 . 1 . 1 132 132 LEU HD12 H 1 0.925 0.026 . 2 . . 1159 . A 157 LEU HD12 . 34627 1 1318 . 1 . 1 132 132 LEU HD13 H 1 0.925 0.026 . 2 . . 1159 . A 157 LEU HD13 . 34627 1 1319 . 1 . 1 132 132 LEU HD21 H 1 0.836 0.014 . 2 . . 1161 . A 157 LEU HD21 . 34627 1 1320 . 1 . 1 132 132 LEU HD22 H 1 0.836 0.014 . 2 . . 1161 . A 157 LEU HD22 . 34627 1 1321 . 1 . 1 132 132 LEU HD23 H 1 0.836 0.014 . 2 . . 1161 . A 157 LEU HD23 . 34627 1 1322 . 1 . 1 132 132 LEU C C 13 177.350 0.0 . 1 . . 1162 . A 157 LEU C . 34627 1 1323 . 1 . 1 132 132 LEU CA C 13 55.327 0.034 . 1 . . 1151 . A 157 LEU CA . 34627 1 1324 . 1 . 1 132 132 LEU CB C 13 42.291 0.16 . 1 . . 1153 . A 157 LEU CB . 34627 1 1325 . 1 . 1 132 132 LEU CG C 13 42.274 0.141 . 1 . . 1156 . A 157 LEU CG . 34627 1 1326 . 1 . 1 132 132 LEU CD1 C 13 25.121 . . 2 . . 1158 . A 157 LEU CD1 . 34627 1 1327 . 1 . 1 132 132 LEU CD2 C 13 23.943 0.0 . 2 . . 1160 . A 157 LEU CD2 . 34627 1 1328 . 1 . 1 132 132 LEU N N 15 121.805 0.218 . 1 . . 1149 . A 157 LEU N . 34627 1 1329 . 1 . 1 133 133 THR H H 1 8.026 0.024 . 1 . . 1164 . A 158 THR H . 34627 1 1330 . 1 . 1 133 133 THR HA H 1 4.268 0.011 . 1 . . 1166 . A 158 THR HA . 34627 1 1331 . 1 . 1 133 133 THR HB H 1 4.127 0.003 . 1 . . 1168 . A 158 THR HB . 34627 1 1332 . 1 . 1 133 133 THR HG21 H 1 1.123 0.023 . 1 . . 1170 . A 158 THR HG21 . 34627 1 1333 . 1 . 1 133 133 THR HG22 H 1 1.123 0.023 . 1 . . 1170 . A 158 THR HG22 . 34627 1 1334 . 1 . 1 133 133 THR HG23 H 1 1.123 0.023 . 1 . . 1170 . A 158 THR HG23 . 34627 1 1335 . 1 . 1 133 133 THR C C 13 173.895 0.0 . 1 . . 1171 . A 158 THR C . 34627 1 1336 . 1 . 1 133 133 THR CA C 13 62.052 0.119 . 1 . . 1165 . A 158 THR CA . 34627 1 1337 . 1 . 1 133 133 THR CB C 13 69.561 0.149 . 1 . . 1167 . A 158 THR CB . 34627 1 1338 . 1 . 1 133 133 THR CG2 C 13 21.499 0.021 . 1 . . 1169 . A 158 THR CG2 . 34627 1 1339 . 1 . 1 133 133 THR N N 15 114.303 0.02 . 1 . . 1163 . A 158 THR N . 34627 1 1340 . 1 . 1 134 134 PHE H H 1 8.085 0.015 . 1 . . 1173 . A 159 PHE H . 34627 1 1341 . 1 . 1 134 134 PHE HA H 1 4.645 0.014 . 1 . . 1175 . A 159 PHE HA . 34627 1 1342 . 1 . 1 134 134 PHE HB2 H 1 2.989 0.02 . 2 . . 1178 . A 159 PHE HB2 . 34627 1 1343 . 1 . 1 134 134 PHE HB3 H 1 3.127 0.008 . 2 . . 1177 . A 159 PHE HB3 . 34627 1 1344 . 1 . 1 134 134 PHE HD1 H 1 7.234 0.029 . 1 . . 1180 . A 159 PHE HD1 . 34627 1 1345 . 1 . 1 134 134 PHE HD2 H 1 7.234 0.029 . 1 . . 1180 . A 159 PHE HD2 . 34627 1 1346 . 1 . 1 134 134 PHE HE1 H 1 7.321 . . 1 . . 1179 . A 159 PHE HE1 . 34627 1 1347 . 1 . 1 134 134 PHE HE2 H 1 7.321 . . 1 . . 1179 . A 159 PHE HE2 . 34627 1 1348 . 1 . 1 134 134 PHE C C 13 174.896 0.0 . 1 . . 1181 . A 159 PHE C . 34627 1 1349 . 1 . 1 134 134 PHE CA C 13 57.186 0.0 . 1 . . 1174 . A 159 PHE CA . 34627 1 1350 . 1 . 1 134 134 PHE CB C 13 39.608 0.22 . 1 . . 1176 . A 159 PHE CB . 34627 1 1351 . 1 . 1 134 134 PHE N N 15 122.085 0.124 . 1 . . 1172 . A 159 PHE N . 34627 1 1352 . 1 . 1 135 135 GLU H H 1 8.135 0.006 . 1 . . 1183 . A 160 GLU H . 34627 1 1353 . 1 . 1 135 135 GLU HA H 1 4.621 0.03 . 1 . . 1185 . A 160 GLU HA . 34627 1 1354 . 1 . 1 135 135 GLU HB2 H 1 1.952 0.009 . 2 . . 1188 . A 160 GLU HB2 . 34627 1 1355 . 1 . 1 135 135 GLU HB3 H 1 1.849 0.012 . 2 . . 1187 . A 160 GLU HB3 . 34627 1 1356 . 1 . 1 135 135 GLU HG2 H 1 2.223 0.014 . 2 . . 1191 . A 160 GLU HG2 . 34627 1 1357 . 1 . 1 135 135 GLU HG3 H 1 2.220 0.014 . 2 . . 1190 . A 160 GLU HG3 . 34627 1 1358 . 1 . 1 135 135 GLU C C 13 174.008 . . 1 . . 1192 . A 160 GLU C . 34627 1 1359 . 1 . 1 135 135 GLU CA C 13 54.109 0.0 . 1 . . 1184 . A 160 GLU CA . 34627 1 1360 . 1 . 1 135 135 GLU CB C 13 30.412 0.132 . 1 . . 1186 . A 160 GLU CB . 34627 1 1361 . 1 . 1 135 135 GLU CG C 13 36.285 0.131 . 1 . . 1189 . A 160 GLU CG . 34627 1 1362 . 1 . 1 135 135 GLU N N 15 124.119 0.039 . 1 . . 1182 . A 160 GLU N . 34627 1 1363 . 1 . 1 136 136 PRO HA H 1 4.424 0.018 . 1 . . 1194 . A 161 PRO HA . 34627 1 1364 . 1 . 1 136 136 PRO HB2 H 1 1.903 0.005 . 2 . . 1197 . A 161 PRO HB2 . 34627 1 1365 . 1 . 1 136 136 PRO HB3 H 1 2.260 0.018 . 2 . . 1196 . A 161 PRO HB3 . 34627 1 1366 . 1 . 1 136 136 PRO HG2 H 1 1.991 0.011 . 2 . . 1200 . A 161 PRO HG2 . 34627 1 1367 . 1 . 1 136 136 PRO HG3 H 1 1.995 0.012 . 2 . . 1199 . A 161 PRO HG3 . 34627 1 1368 . 1 . 1 136 136 PRO HD2 H 1 3.809 0.018 . 2 . . 1203 . A 161 PRO HD2 . 34627 1 1369 . 1 . 1 136 136 PRO HD3 H 1 3.627 0.024 . 2 . . 1202 . A 161 PRO HD3 . 34627 1 1370 . 1 . 1 136 136 PRO C C 13 176.710 . . 1 . . 1204 . A 161 PRO C . 34627 1 1371 . 1 . 1 136 136 PRO CA C 13 63.065 0.059 . 1 . . 1193 . A 161 PRO CA . 34627 1 1372 . 1 . 1 136 136 PRO CB C 13 32.059 0.039 . 1 . . 1195 . A 161 PRO CB . 34627 1 1373 . 1 . 1 136 136 PRO CG C 13 27.401 0.003 . 1 . . 1198 . A 161 PRO CG . 34627 1 1374 . 1 . 1 136 136 PRO CD C 13 50.783 0.111 . 1 . . 1201 . A 161 PRO CD . 34627 1 1375 . 1 . 1 137 137 VAL H H 1 8.054 0.015 . 1 . . 1206 . A 162 VAL H . 34627 1 1376 . 1 . 1 137 137 VAL HA H 1 4.083 0.022 . 1 . . 1208 . A 162 VAL HA . 34627 1 1377 . 1 . 1 137 137 VAL HB H 1 2.012 0.02 . 1 . . 1210 . A 162 VAL HB . 34627 1 1378 . 1 . 1 137 137 VAL HG11 H 1 0.866 0.03 . 2 . . 1214 . A 162 VAL HG11 . 34627 1 1379 . 1 . 1 137 137 VAL HG12 H 1 0.866 0.03 . 2 . . 1214 . A 162 VAL HG12 . 34627 1 1380 . 1 . 1 137 137 VAL HG13 H 1 0.866 0.03 . 2 . . 1214 . A 162 VAL HG13 . 34627 1 1381 . 1 . 1 137 137 VAL HG21 H 1 0.931 0.021 . 2 . . 1212 . A 162 VAL HG21 . 34627 1 1382 . 1 . 1 137 137 VAL HG22 H 1 0.931 0.021 . 2 . . 1212 . A 162 VAL HG22 . 34627 1 1383 . 1 . 1 137 137 VAL HG23 H 1 0.931 0.021 . 2 . . 1212 . A 162 VAL HG23 . 34627 1 1384 . 1 . 1 137 137 VAL C C 13 175.764 0.0 . 1 . . 1215 . A 162 VAL C . 34627 1 1385 . 1 . 1 137 137 VAL CA C 13 62.260 0.117 . 1 . . 1207 . A 162 VAL CA . 34627 1 1386 . 1 . 1 137 137 VAL CB C 13 33.152 0.139 . 1 . . 1209 . A 162 VAL CB . 34627 1 1387 . 1 . 1 137 137 VAL CG1 C 13 21.039 . . 2 . . 1213 . A 162 VAL CG1 . 34627 1 1388 . 1 . 1 137 137 VAL CG2 C 13 21.203 0.0 . 2 . . 1211 . A 162 VAL CG2 . 34627 1 1389 . 1 . 1 137 137 VAL N N 15 120.006 0.187 . 1 . . 1205 . A 162 VAL N . 34627 1 1390 . 1 . 1 138 138 ALA H H 1 8.244 0.021 . 1 . . 1217 . A 163 ALA H . 34627 1 1391 . 1 . 1 138 138 ALA HA H 1 4.299 0.034 . 1 . . 1219 . A 163 ALA HA . 34627 1 1392 . 1 . 1 138 138 ALA HB1 H 1 1.347 0.011 . 1 . . 1221 . A 163 ALA HB1 . 34627 1 1393 . 1 . 1 138 138 ALA HB2 H 1 1.347 0.011 . 1 . . 1221 . A 163 ALA HB2 . 34627 1 1394 . 1 . 1 138 138 ALA HB3 H 1 1.347 0.011 . 1 . . 1221 . A 163 ALA HB3 . 34627 1 1395 . 1 . 1 138 138 ALA C C 13 177.048 0.0 . 1 . . 1222 . A 163 ALA C . 34627 1 1396 . 1 . 1 138 138 ALA CA C 13 52.395 0.213 . 1 . . 1218 . A 163 ALA CA . 34627 1 1397 . 1 . 1 138 138 ALA CB C 13 19.380 0.031 . 1 . . 1220 . A 163 ALA CB . 34627 1 1398 . 1 . 1 138 138 ALA N N 15 127.887 0.033 . 1 . . 1216 . A 163 ALA N . 34627 1 1399 . 1 . 1 139 139 LYS H H 1 8.153 0.016 . 1 . . 1224 . A 164 LYS H . 34627 1 1400 . 1 . 1 139 139 LYS HA H 1 4.602 0.021 . 1 . . 1226 . A 164 LYS HA . 34627 1 1401 . 1 . 1 139 139 LYS HB2 H 1 1.814 0.017 . 2 . . 1229 . A 164 LYS HB2 . 34627 1 1402 . 1 . 1 139 139 LYS HB3 H 1 1.691 0.014 . 2 . . 1228 . A 164 LYS HB3 . 34627 1 1403 . 1 . 1 139 139 LYS HG2 H 1 1.464 0.02 . 2 . . 1232 . A 164 LYS HG2 . 34627 1 1404 . 1 . 1 139 139 LYS HG3 H 1 1.436 0.018 . 2 . . 1231 . A 164 LYS HG3 . 34627 1 1405 . 1 . 1 139 139 LYS HD2 H 1 1.663 0.023 . 2 . . 1235 . A 164 LYS HD2 . 34627 1 1406 . 1 . 1 139 139 LYS HD3 H 1 1.659 0.022 . 2 . . 1234 . A 164 LYS HD3 . 34627 1 1407 . 1 . 1 139 139 LYS HE2 H 1 2.982 0.008 . 2 . . 1238 . A 164 LYS HE2 . 34627 1 1408 . 1 . 1 139 139 LYS HE3 H 1 2.987 0.002 . 2 . . 1237 . A 164 LYS HE3 . 34627 1 1409 . 1 . 1 139 139 LYS C C 13 174.413 . . 1 . . 1239 . A 164 LYS C . 34627 1 1410 . 1 . 1 139 139 LYS CA C 13 54.065 . . 1 . . 1225 . A 164 LYS CA . 34627 1 1411 . 1 . 1 139 139 LYS CB C 13 32.892 0.259 . 1 . . 1227 . A 164 LYS CB . 34627 1 1412 . 1 . 1 139 139 LYS CG C 13 24.737 0.056 . 1 . . 1230 . A 164 LYS CG . 34627 1 1413 . 1 . 1 139 139 LYS CD C 13 29.172 0.0 . 1 . . 1233 . A 164 LYS CD . 34627 1 1414 . 1 . 1 139 139 LYS CE C 13 42.072 0.102 . 1 . . 1236 . A 164 LYS CE . 34627 1 1415 . 1 . 1 139 139 LYS N N 15 121.886 0.258 . 1 . . 1223 . A 164 LYS N . 34627 1 1416 . 1 . 1 140 140 PRO HA H 1 4.431 0.016 . 1 . . 1241 . A 165 PRO HA . 34627 1 1417 . 1 . 1 140 140 PRO HB2 H 1 1.893 0.008 . 2 . . 1244 . A 165 PRO HB2 . 34627 1 1418 . 1 . 1 140 140 PRO HB3 H 1 2.265 0.018 . 2 . . 1243 . A 165 PRO HB3 . 34627 1 1419 . 1 . 1 140 140 PRO HG2 H 1 1.997 0.012 . 2 . . 1247 . A 165 PRO HG2 . 34627 1 1420 . 1 . 1 140 140 PRO HG3 H 1 1.990 0.012 . 2 . . 1246 . A 165 PRO HG3 . 34627 1 1421 . 1 . 1 140 140 PRO HD2 H 1 3.641 0.02 . 2 . . 1250 . A 165 PRO HD2 . 34627 1 1422 . 1 . 1 140 140 PRO HD3 H 1 3.627 0.022 . 2 . . 1249 . A 165 PRO HD3 . 34627 1 1423 . 1 . 1 140 140 PRO C C 13 176.665 0.0 . 1 . . 1251 . A 165 PRO C . 34627 1 1424 . 1 . 1 140 140 PRO CA C 13 63.102 0.05 . 1 . . 1240 . A 165 PRO CA . 34627 1 1425 . 1 . 1 140 140 PRO CB C 13 31.971 0.106 . 1 . . 1242 . A 165 PRO CB . 34627 1 1426 . 1 . 1 140 140 PRO CG C 13 27.401 0.003 . 1 . . 1245 . A 165 PRO CG . 34627 1 1427 . 1 . 1 140 140 PRO CD C 13 50.726 0.028 . 1 . . 1248 . A 165 PRO CD . 34627 1 1428 . 1 . 1 141 141 LEU H H 1 8.226 0.004 . 1 . . 1253 . A 166 LEU H . 34627 1 1429 . 1 . 1 141 141 LEU HA H 1 4.324 0.017 . 1 . . 1255 . A 166 LEU HA . 34627 1 1430 . 1 . 1 141 141 LEU HB2 H 1 1.588 0.023 . 2 . . 1258 . A 166 LEU HB2 . 34627 1 1431 . 1 . 1 141 141 LEU HB3 H 1 1.604 0.021 . 2 . . 1257 . A 166 LEU HB3 . 34627 1 1432 . 1 . 1 141 141 LEU HG H 1 1.637 0.024 . 1 . . 1260 . A 166 LEU HG . 34627 1 1433 . 1 . 1 141 141 LEU HD11 H 1 0.917 0.037 . 2 . . 1262 . A 166 LEU HD11 . 34627 1 1434 . 1 . 1 141 141 LEU HD12 H 1 0.917 0.037 . 2 . . 1262 . A 166 LEU HD12 . 34627 1 1435 . 1 . 1 141 141 LEU HD13 H 1 0.917 0.037 . 2 . . 1262 . A 166 LEU HD13 . 34627 1 1436 . 1 . 1 141 141 LEU HD21 H 1 0.884 0.035 . 2 . . 1264 . A 166 LEU HD21 . 34627 1 1437 . 1 . 1 141 141 LEU HD22 H 1 0.884 0.035 . 2 . . 1264 . A 166 LEU HD22 . 34627 1 1438 . 1 . 1 141 141 LEU HD23 H 1 0.884 0.035 . 2 . . 1264 . A 166 LEU HD23 . 34627 1 1439 . 1 . 1 141 141 LEU C C 13 177.071 . . 1 . . 1265 . A 166 LEU C . 34627 1 1440 . 1 . 1 141 141 LEU CA C 13 55.478 0.225 . 1 . . 1254 . A 166 LEU CA . 34627 1 1441 . 1 . 1 141 141 LEU CB C 13 42.141 0.087 . 1 . . 1256 . A 166 LEU CB . 34627 1 1442 . 1 . 1 141 141 LEU CG C 13 27.238 0.094 . 1 . . 1259 . A 166 LEU CG . 34627 1 1443 . 1 . 1 141 141 LEU CD1 C 13 24.870 . . 2 . . 1261 . A 166 LEU CD1 . 34627 1 1444 . 1 . 1 141 141 LEU CD2 C 13 23.727 0.0 . 2 . . 1263 . A 166 LEU CD2 . 34627 1 1445 . 1 . 1 141 141 LEU N N 15 122.542 0.027 . 1 . . 1252 . A 166 LEU N . 34627 1 1446 . 1 . 1 142 142 LYS H H 1 8.251 0.024 . 1 . . 1267 . A 167 LYS H . 34627 1 1447 . 1 . 1 142 142 LYS HA H 1 4.328 0.015 . 1 . . 1269 . A 167 LYS HA . 34627 1 1448 . 1 . 1 142 142 LYS HB2 H 1 1.744 0.02 . 2 . . 1272 . A 167 LYS HB2 . 34627 1 1449 . 1 . 1 142 142 LYS HB3 H 1 1.820 0.023 . 2 . . 1271 . A 167 LYS HB3 . 34627 1 1450 . 1 . 1 142 142 LYS HG2 H 1 1.376 0.021 . 2 . . 1275 . A 167 LYS HG2 . 34627 1 1451 . 1 . 1 142 142 LYS HG3 H 1 1.445 0.024 . 2 . . 1274 . A 167 LYS HG3 . 34627 1 1452 . 1 . 1 142 142 LYS HD2 H 1 1.644 0.016 . 2 . . 1278 . A 167 LYS HD2 . 34627 1 1453 . 1 . 1 142 142 LYS HD3 H 1 1.659 0.02 . 2 . . 1277 . A 167 LYS HD3 . 34627 1 1454 . 1 . 1 142 142 LYS HE2 H 1 2.975 0.008 . 2 . . 1281 . A 167 LYS HE2 . 34627 1 1455 . 1 . 1 142 142 LYS HE3 H 1 2.977 0.003 . 2 . . 1280 . A 167 LYS HE3 . 34627 1 1456 . 1 . 1 142 142 LYS C C 13 175.934 0.0 . 1 . . 1282 . A 167 LYS C . 34627 1 1457 . 1 . 1 142 142 LYS CA C 13 56.311 0.055 . 1 . . 1268 . A 167 LYS CA . 34627 1 1458 . 1 . 1 142 142 LYS CB C 13 33.311 0.146 . 1 . . 1270 . A 167 LYS CB . 34627 1 1459 . 1 . 1 142 142 LYS CG C 13 24.685 0.184 . 1 . . 1273 . A 167 LYS CG . 34627 1 1460 . 1 . 1 142 142 LYS CD C 13 29.183 0.068 . 1 . . 1276 . A 167 LYS CD . 34627 1 1461 . 1 . 1 142 142 LYS CE C 13 41.946 0.087 . 1 . . 1279 . A 167 LYS CE . 34627 1 1462 . 1 . 1 142 142 LYS N N 15 122.513 0.031 . 1 . . 1266 . A 167 LYS N . 34627 1 1463 . 1 . 1 143 143 GLU H H 1 8.442 0.011 . 1 . . 1284 . A 168 GLU H . 34627 1 1464 . 1 . 1 143 143 GLU HA H 1 4.310 0.026 . 1 . . 1286 . A 168 GLU HA . 34627 1 1465 . 1 . 1 143 143 GLU HB2 H 1 2.054 0.034 . 2 . . 1289 . A 168 GLU HB2 . 34627 1 1466 . 1 . 1 143 143 GLU HB3 H 1 1.923 0.034 . 2 . . 1288 . A 168 GLU HB3 . 34627 1 1467 . 1 . 1 143 143 GLU HG2 H 1 2.228 0.014 . 2 . . 1292 . A 168 GLU HG2 . 34627 1 1468 . 1 . 1 143 143 GLU HG3 H 1 2.228 0.014 . 2 . . 1291 . A 168 GLU HG3 . 34627 1 1469 . 1 . 1 143 143 GLU C C 13 175.314 0.0 . 1 . . 1293 . A 168 GLU C . 34627 1 1470 . 1 . 1 143 143 GLU CA C 13 56.645 0.055 . 1 . . 1285 . A 168 GLU CA . 34627 1 1471 . 1 . 1 143 143 GLU CB C 13 30.390 0.155 . 1 . . 1287 . A 168 GLU CB . 34627 1 1472 . 1 . 1 143 143 GLU CG C 13 36.258 0.088 . 1 . . 1290 . A 168 GLU CG . 34627 1 1473 . 1 . 1 143 143 GLU N N 15 123.667 0.014 . 1 . . 1283 . A 168 GLU N . 34627 1 1474 . 1 . 1 144 144 GLU H H 1 7.910 0.002 . 1 . . 1295 . A 169 GLU H . 34627 1 1475 . 1 . 1 144 144 GLU HA H 1 4.169 0.023 . 1 . . 1297 . A 169 GLU HA . 34627 1 1476 . 1 . 1 144 144 GLU HB2 H 1 1.886 0.03 . 2 . . 1300 . A 169 GLU HB2 . 34627 1 1477 . 1 . 1 144 144 GLU HB3 H 1 2.053 0.001 . 2 . . 1299 . A 169 GLU HB3 . 34627 1 1478 . 1 . 1 144 144 GLU HG2 H 1 2.170 0.034 . 2 . . 1303 . A 169 GLU HG2 . 34627 1 1479 . 1 . 1 144 144 GLU HG3 H 1 2.162 0.028 . 2 . . 1302 . A 169 GLU HG3 . 34627 1 1480 . 1 . 1 144 144 GLU C C 13 180.899 . . 1 . . 1304 . A 169 GLU C . 34627 1 1481 . 1 . 1 144 144 GLU CA C 13 57.618 0.275 . 1 . . 1296 . A 169 GLU CA . 34627 1 1482 . 1 . 1 144 144 GLU CB C 13 31.727 0.176 . 1 . . 1298 . A 169 GLU CB . 34627 1 1483 . 1 . 1 144 144 GLU CG C 13 36.371 0.235 . 1 . . 1301 . A 169 GLU CG . 34627 1 1484 . 1 . 1 144 144 GLU N N 15 127.062 0.022 . 1 . . 1294 . A 169 GLU N . 34627 1 stop_ save_