data_26534 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26534 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Extracellular Loop 1 (ECL1) of FtsX in Streptococcus pneumoniae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-09 _Entry.Accession_date 2015-03-09 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yue Fu . . . . 26534 2 David Giedroc . . . . 26534 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26534 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 540 26534 '15N chemical shifts' 122 26534 '1H chemical shifts' 786 26534 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-13 2015-03-09 update BMRB 'update entry citation' 26534 1 . . 2016-01-06 2015-03-09 original author 'original release' 26534 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26534 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26370567 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N resonance assignments of the extracellular loop 1 domain (ECL1) of Streptococcus pneumoniae D39 FtsX, an essential cell division protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 89 _Citation.Page_last 92 _Citation.Year 2016 _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 Yue Fu . . . . 26534 1 2 Kevin Bruce . E. . . 26534 1 3 Britta Rued . . . . 26534 1 4 Malcolm Winkler . E. . . 26534 1 5 David Giedroc . P. . . 26534 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26534 _Assembly.ID 1 _Assembly.Name 'FtsXECL1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'FtsXECL1 monomer' 1 $FtsXECL1 A . yes native no no . . . 26534 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FtsXECL1 _Entity.Sf_category entity _Entity.Sf_framecode FtsXECL1 _Entity.Entry_ID 26534 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FtsXECL1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMATAKLATDIENNVRVVV YIRKDVEDNSQTIEKEGQTV TNNDYHKVYDSLKNMSTVKS VTFSSKEEQYEKLTEIMGDN WKIFEGDANPLYDAYIVEAN APNDVKTIAEDAKKIEGVSE VQDGGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1-4 represent a cloning artefact from His6-affinity tag after TEV cleavage. This is the bigger of the two extracellular loops of a membrane protein FtsX. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 43 GLY . 26534 1 2 44 ALA . 26534 1 3 45 MET . 26534 1 4 46 ALA . 26534 1 5 47 THR . 26534 1 6 48 ALA . 26534 1 7 49 LYS . 26534 1 8 50 LEU . 26534 1 9 51 ALA . 26534 1 10 52 THR . 26534 1 11 53 ASP . 26534 1 12 54 ILE . 26534 1 13 55 GLU . 26534 1 14 56 ASN . 26534 1 15 57 ASN . 26534 1 16 58 VAL . 26534 1 17 59 ARG . 26534 1 18 60 VAL . 26534 1 19 61 VAL . 26534 1 20 62 VAL . 26534 1 21 63 TYR . 26534 1 22 64 ILE . 26534 1 23 65 ARG . 26534 1 24 66 LYS . 26534 1 25 67 ASP . 26534 1 26 68 VAL . 26534 1 27 69 GLU . 26534 1 28 70 ASP . 26534 1 29 71 ASN . 26534 1 30 72 SER . 26534 1 31 73 GLN . 26534 1 32 74 THR . 26534 1 33 75 ILE . 26534 1 34 76 GLU . 26534 1 35 77 LYS . 26534 1 36 78 GLU . 26534 1 37 79 GLY . 26534 1 38 80 GLN . 26534 1 39 81 THR . 26534 1 40 82 VAL . 26534 1 41 83 THR . 26534 1 42 84 ASN . 26534 1 43 85 ASN . 26534 1 44 86 ASP . 26534 1 45 87 TYR . 26534 1 46 88 HIS . 26534 1 47 89 LYS . 26534 1 48 90 VAL . 26534 1 49 91 TYR . 26534 1 50 92 ASP . 26534 1 51 93 SER . 26534 1 52 94 LEU . 26534 1 53 95 LYS . 26534 1 54 96 ASN . 26534 1 55 97 MET . 26534 1 56 98 SER . 26534 1 57 99 THR . 26534 1 58 100 VAL . 26534 1 59 101 LYS . 26534 1 60 102 SER . 26534 1 61 103 VAL . 26534 1 62 104 THR . 26534 1 63 105 PHE . 26534 1 64 106 SER . 26534 1 65 107 SER . 26534 1 66 108 LYS . 26534 1 67 109 GLU . 26534 1 68 110 GLU . 26534 1 69 111 GLN . 26534 1 70 112 TYR . 26534 1 71 113 GLU . 26534 1 72 114 LYS . 26534 1 73 115 LEU . 26534 1 74 116 THR . 26534 1 75 117 GLU . 26534 1 76 118 ILE . 26534 1 77 119 MET . 26534 1 78 120 GLY . 26534 1 79 121 ASP . 26534 1 80 122 ASN . 26534 1 81 123 TRP . 26534 1 82 124 LYS . 26534 1 83 125 ILE . 26534 1 84 126 PHE . 26534 1 85 127 GLU . 26534 1 86 128 GLY . 26534 1 87 129 ASP . 26534 1 88 130 ALA . 26534 1 89 131 ASN . 26534 1 90 132 PRO . 26534 1 91 133 LEU . 26534 1 92 134 TYR . 26534 1 93 135 ASP . 26534 1 94 136 ALA . 26534 1 95 137 TYR . 26534 1 96 138 ILE . 26534 1 97 139 VAL . 26534 1 98 140 GLU . 26534 1 99 141 ALA . 26534 1 100 142 ASN . 26534 1 101 143 ALA . 26534 1 102 144 PRO . 26534 1 103 145 ASN . 26534 1 104 146 ASP . 26534 1 105 147 VAL . 26534 1 106 148 LYS . 26534 1 107 149 THR . 26534 1 108 150 ILE . 26534 1 109 151 ALA . 26534 1 110 152 GLU . 26534 1 111 153 ASP . 26534 1 112 154 ALA . 26534 1 113 155 LYS . 26534 1 114 156 LYS . 26534 1 115 157 ILE . 26534 1 116 158 GLU . 26534 1 117 159 GLY . 26534 1 118 160 VAL . 26534 1 119 161 SER . 26534 1 120 162 GLU . 26534 1 121 163 VAL . 26534 1 122 164 GLN . 26534 1 123 165 ASP . 26534 1 124 166 GLY . 26534 1 125 167 GLY . 26534 1 126 168 ALA . 26534 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 . GLY 1 1 26534 1 . ALA 2 2 26534 1 . MET 3 3 26534 1 . ALA 4 4 26534 1 . THR 5 5 26534 1 . ALA 6 6 26534 1 . LYS 7 7 26534 1 . LEU 8 8 26534 1 . ALA 9 9 26534 1 . THR 10 10 26534 1 . ASP 11 11 26534 1 . ILE 12 12 26534 1 . GLU 13 13 26534 1 . ASN 14 14 26534 1 . ASN 15 15 26534 1 . VAL 16 16 26534 1 . ARG 17 17 26534 1 . VAL 18 18 26534 1 . VAL 19 19 26534 1 . VAL 20 20 26534 1 . TYR 21 21 26534 1 . ILE 22 22 26534 1 . ARG 23 23 26534 1 . LYS 24 24 26534 1 . ASP 25 25 26534 1 . VAL 26 26 26534 1 . GLU 27 27 26534 1 . ASP 28 28 26534 1 . ASN 29 29 26534 1 . SER 30 30 26534 1 . GLN 31 31 26534 1 . THR 32 32 26534 1 . ILE 33 33 26534 1 . GLU 34 34 26534 1 . LYS 35 35 26534 1 . GLU 36 36 26534 1 . GLY 37 37 26534 1 . GLN 38 38 26534 1 . THR 39 39 26534 1 . VAL 40 40 26534 1 . THR 41 41 26534 1 . ASN 42 42 26534 1 . ASN 43 43 26534 1 . ASP 44 44 26534 1 . TYR 45 45 26534 1 . HIS 46 46 26534 1 . LYS 47 47 26534 1 . VAL 48 48 26534 1 . TYR 49 49 26534 1 . ASP 50 50 26534 1 . SER 51 51 26534 1 . LEU 52 52 26534 1 . LYS 53 53 26534 1 . ASN 54 54 26534 1 . MET 55 55 26534 1 . SER 56 56 26534 1 . THR 57 57 26534 1 . VAL 58 58 26534 1 . LYS 59 59 26534 1 . SER 60 60 26534 1 . VAL 61 61 26534 1 . THR 62 62 26534 1 . PHE 63 63 26534 1 . SER 64 64 26534 1 . SER 65 65 26534 1 . LYS 66 66 26534 1 . GLU 67 67 26534 1 . GLU 68 68 26534 1 . GLN 69 69 26534 1 . TYR 70 70 26534 1 . GLU 71 71 26534 1 . LYS 72 72 26534 1 . LEU 73 73 26534 1 . THR 74 74 26534 1 . GLU 75 75 26534 1 . ILE 76 76 26534 1 . MET 77 77 26534 1 . GLY 78 78 26534 1 . ASP 79 79 26534 1 . ASN 80 80 26534 1 . TRP 81 81 26534 1 . LYS 82 82 26534 1 . ILE 83 83 26534 1 . PHE 84 84 26534 1 . GLU 85 85 26534 1 . GLY 86 86 26534 1 . ASP 87 87 26534 1 . ALA 88 88 26534 1 . ASN 89 89 26534 1 . PRO 90 90 26534 1 . LEU 91 91 26534 1 . TYR 92 92 26534 1 . ASP 93 93 26534 1 . ALA 94 94 26534 1 . TYR 95 95 26534 1 . ILE 96 96 26534 1 . VAL 97 97 26534 1 . GLU 98 98 26534 1 . ALA 99 99 26534 1 . ASN 100 100 26534 1 . ALA 101 101 26534 1 . PRO 102 102 26534 1 . ASN 103 103 26534 1 . ASP 104 104 26534 1 . VAL 105 105 26534 1 . LYS 106 106 26534 1 . THR 107 107 26534 1 . ILE 108 108 26534 1 . ALA 109 109 26534 1 . GLU 110 110 26534 1 . ASP 111 111 26534 1 . ALA 112 112 26534 1 . LYS 113 113 26534 1 . LYS 114 114 26534 1 . ILE 115 115 26534 1 . GLU 116 116 26534 1 . GLY 117 117 26534 1 . VAL 118 118 26534 1 . SER 119 119 26534 1 . GLU 120 120 26534 1 . VAL 121 121 26534 1 . GLN 122 122 26534 1 . ASP 123 123 26534 1 . GLY 124 124 26534 1 . GLY 125 125 26534 1 . ALA 126 126 26534 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 26534 _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 $FtsXECL1 . 373153 organism . 'Streptococcus pneumoniae' firmicutes . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . . . 26534 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 26534 _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 $FtsXECL1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pHis . . . 26534 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26534 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FtsXECL1 '[U-99% 13C; U-99% 15N]' . . 1 $FtsXECL1 . . . 0.5 0.7 mM . . . . 26534 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26534 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 26534 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26534 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26534 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26534 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FtsXECL1 '[U-99% 13C; U-99% 15N]' . . 1 $FtsXECL1 . . . 0.5 0.7 mM . . . . 26534 2 2 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 26534 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26534 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26534 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26534 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 26534 1 pH 7.0 . pH 26534 1 pressure 1 . atm 26534 1 temperature 298 . K 26534 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26534 _Software.ID 1 _Software.Name CYANA _Software.Version 3.96 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26534 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26534 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26534 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26534 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26534 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26534 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26534 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26534 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26534 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26534 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26534 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26534 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26534 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26534 5 stop_ save_ save_CCPNMR_analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_analysis _Software.Entry_ID 26534 _Software.ID 6 _Software.Name CCPNMR_analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26534 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 26534 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26534 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DDR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26534 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian DDR . 600 . . . 26534 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 26534 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26534 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26534 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'H2O used for referencing' 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 water protons . . . . ppm 4.783 internal indirect 0.251449530 . . . . . 26534 1 H 1 water protons . . . . ppm 4.783 internal direct 1.0 . . . . . 26534 1 N 15 water protons . . . . ppm 4.783 internal indirect 0.101329118 . . . . . 26534 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26534 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26534 1 4 '3D CBCA(CO)NH' . . . 26534 1 5 '3D C(CO)NH' . . . 26534 1 6 '3D HNCO' . . . 26534 1 7 '3D HNCA' . . . 26534 1 10 '3D H(CCO)NH' . . . 26534 1 11 '3D HCCH-TOCSY' . . . 26534 1 12 '3D HCCH-COSY' . . . 26534 1 13 '3D 1H-15N NOESY' . . . 26534 1 14 '3D 1H-13C NOESY aliphatic' . . . 26534 1 15 '3D 1H-13C NOESY aromatic' . . . 26534 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.291 0.002 . 1 . . . . 44 Ala HA . 26534 1 2 . 1 1 2 2 ALA HB1 H 1 1.366 0.001 . 1 . . . . 44 Ala HB1 . 26534 1 3 . 1 1 2 2 ALA HB2 H 1 1.366 0.001 . 1 . . . . 44 Ala HB2 . 26534 1 4 . 1 1 2 2 ALA HB3 H 1 1.366 0.001 . 1 . . . . 44 Ala HB3 . 26534 1 5 . 1 1 2 2 ALA CA C 13 52.674 0.012 . 1 . . . . 44 Ala CA . 26534 1 6 . 1 1 2 2 ALA CB C 13 19.407 0.045 . 1 . . . . 44 Ala CB . 26534 1 7 . 1 1 3 3 MET H H 1 8.489 0.002 . 1 . . . . 45 Met H . 26534 1 8 . 1 1 3 3 MET HA H 1 4.453 0.006 . 1 . . . . 45 Met HA . 26534 1 9 . 1 1 3 3 MET HG2 H 1 2.594 0.007 . 1 . . . . 45 Met HG2 . 26534 1 10 . 1 1 3 3 MET HG3 H 1 2.556 0.017 . 1 . . . . 45 Met HG3 . 26534 1 11 . 1 1 3 3 MET HE1 H 1 2.064 0.005 . 1 . . . . 45 Met HE1 . 26534 1 12 . 1 1 3 3 MET HE2 H 1 2.064 0.005 . 1 . . . . 45 Met HE2 . 26534 1 13 . 1 1 3 3 MET HE3 H 1 2.064 0.005 . 1 . . . . 45 Met HE3 . 26534 1 14 . 1 1 3 3 MET C C 13 177.862 0.000 . 1 . . . . 45 Met C . 26534 1 15 . 1 1 3 3 MET CA C 13 55.583 0.068 . 1 . . . . 45 Met CA . 26534 1 16 . 1 1 3 3 MET CB C 13 32.978 0.056 . 1 . . . . 45 Met CB . 26534 1 17 . 1 1 3 3 MET CG C 13 32.047 0.045 . 1 . . . . 45 Met CG . 26534 1 18 . 1 1 3 3 MET CE C 13 16.919 0.003 . 1 . . . . 45 Met CE . 26534 1 19 . 1 1 3 3 MET N N 15 119.777 0.014 . 1 . . . . 45 Met N . 26534 1 20 . 1 1 4 4 ALA H H 1 8.394 0.001 . 1 . . . . 46 Ala H . 26534 1 21 . 1 1 4 4 ALA HA H 1 4.355 0.002 . 1 . . . . 46 Ala HA . 26534 1 22 . 1 1 4 4 ALA HB1 H 1 1.411 0.001 . 1 . . . . 46 Ala HB1 . 26534 1 23 . 1 1 4 4 ALA HB2 H 1 1.411 0.001 . 1 . . . . 46 Ala HB2 . 26534 1 24 . 1 1 4 4 ALA HB3 H 1 1.411 0.001 . 1 . . . . 46 Ala HB3 . 26534 1 25 . 1 1 4 4 ALA C C 13 176.189 0.000 . 1 . . . . 46 Ala C . 26534 1 26 . 1 1 4 4 ALA CA C 13 52.872 0.037 . 1 . . . . 46 Ala CA . 26534 1 27 . 1 1 4 4 ALA CB C 13 19.270 0.024 . 1 . . . . 46 Ala CB . 26534 1 28 . 1 1 4 4 ALA N N 15 125.557 0.011 . 1 . . . . 46 Ala N . 26534 1 29 . 1 1 5 5 THR H H 1 8.037 0.001 . 1 . . . . 47 Thr H . 26534 1 30 . 1 1 5 5 THR HA H 1 4.270 0.000 . 1 . . . . 47 Thr HA . 26534 1 31 . 1 1 5 5 THR HB H 1 4.277 0.002 . 1 . . . . 47 Thr HB . 26534 1 32 . 1 1 5 5 THR HG21 H 1 1.203 0.003 . 1 . . . . 47 Thr HG21 . 26534 1 33 . 1 1 5 5 THR HG22 H 1 1.203 0.003 . 1 . . . . 47 Thr HG22 . 26534 1 34 . 1 1 5 5 THR HG23 H 1 1.203 0.003 . 1 . . . . 47 Thr HG23 . 26534 1 35 . 1 1 5 5 THR C C 13 177.881 0.000 . 1 . . . . 47 Thr C . 26534 1 36 . 1 1 5 5 THR CA C 13 61.901 0.017 . 1 . . . . 47 Thr CA . 26534 1 37 . 1 1 5 5 THR CB C 13 69.748 0.029 . 1 . . . . 47 Thr CB . 26534 1 38 . 1 1 5 5 THR CG2 C 13 21.716 0.028 . 1 . . . . 47 Thr CG2 . 26534 1 39 . 1 1 5 5 THR N N 15 112.748 0.006 . 1 . . . . 47 Thr N . 26534 1 40 . 1 1 6 6 ALA H H 1 8.203 0.001 . 1 . . . . 48 Ala H . 26534 1 41 . 1 1 6 6 ALA HA H 1 4.347 0.002 . 1 . . . . 48 Ala HA . 26534 1 42 . 1 1 6 6 ALA HB1 H 1 1.378 0.001 . 1 . . . . 48 Ala HB1 . 26534 1 43 . 1 1 6 6 ALA HB2 H 1 1.378 0.001 . 1 . . . . 48 Ala HB2 . 26534 1 44 . 1 1 6 6 ALA HB3 H 1 1.378 0.001 . 1 . . . . 48 Ala HB3 . 26534 1 45 . 1 1 6 6 ALA C C 13 174.453 0.000 . 1 . . . . 48 Ala C . 26534 1 46 . 1 1 6 6 ALA CA C 13 52.708 0.067 . 1 . . . . 48 Ala CA . 26534 1 47 . 1 1 6 6 ALA CB C 13 19.353 0.040 . 1 . . . . 48 Ala CB . 26534 1 48 . 1 1 6 6 ALA N N 15 126.198 0.011 . 1 . . . . 48 Ala N . 26534 1 49 . 1 1 7 7 LYS H H 1 8.208 0.000 . 1 . . . . 49 Lys H . 26534 1 50 . 1 1 7 7 LYS HA H 1 4.298 0.003 . 1 . . . . 49 Lys HA . 26534 1 51 . 1 1 7 7 LYS HB2 H 1 1.823 0.001 . 1 . . . . 49 Lys HB2 . 26534 1 52 . 1 1 7 7 LYS HB3 H 1 1.756 0.017 . 1 . . . . 49 Lys HB3 . 26534 1 53 . 1 1 7 7 LYS C C 13 177.479 0.000 . 1 . . . . 49 Lys C . 26534 1 54 . 1 1 7 7 LYS CA C 13 56.231 0.027 . 1 . . . . 49 Lys CA . 26534 1 55 . 1 1 7 7 LYS CB C 13 33.043 0.008 . 1 . . . . 49 Lys CB . 26534 1 56 . 1 1 7 7 LYS CG C 13 24.803 0.000 . 1 . . . . 49 Lys CG . 26534 1 57 . 1 1 7 7 LYS CD C 13 29.104 0.000 . 1 . . . . 49 Lys CD . 26534 1 58 . 1 1 7 7 LYS CE C 13 42.117 0.000 . 1 . . . . 49 Lys CE . 26534 1 59 . 1 1 7 7 LYS N N 15 120.426 0.008 . 1 . . . . 49 Lys N . 26534 1 60 . 1 1 8 8 LEU H H 1 8.234 0.001 . 1 . . . . 50 Leu H . 26534 1 61 . 1 1 8 8 LEU HA H 1 4.358 0.004 . 1 . . . . 50 Leu HA . 26534 1 62 . 1 1 8 8 LEU HB2 H 1 1.643 0.009 . 1 . . . . 50 Leu HB2 . 26534 1 63 . 1 1 8 8 LEU HB3 H 1 1.554 0.001 . 1 . . . . 50 Leu HB3 . 26534 1 64 . 1 1 8 8 LEU HG H 1 1.642 0.008 . 1 . . . . 50 Leu HG . 26534 1 65 . 1 1 8 8 LEU HD11 H 1 0.904 0.009 . 1 . . . . 50 Leu HD11 . 26534 1 66 . 1 1 8 8 LEU HD12 H 1 0.904 0.009 . 1 . . . . 50 Leu HD12 . 26534 1 67 . 1 1 8 8 LEU HD13 H 1 0.904 0.009 . 1 . . . . 50 Leu HD13 . 26534 1 68 . 1 1 8 8 LEU HD21 H 1 0.860 0.003 . 1 . . . . 50 Leu HD21 . 26534 1 69 . 1 1 8 8 LEU HD22 H 1 0.860 0.003 . 1 . . . . 50 Leu HD22 . 26534 1 70 . 1 1 8 8 LEU HD23 H 1 0.860 0.003 . 1 . . . . 50 Leu HD23 . 26534 1 71 . 1 1 8 8 LEU C C 13 176.323 0.000 . 1 . . . . 50 Leu C . 26534 1 72 . 1 1 8 8 LEU CA C 13 54.820 0.027 . 1 . . . . 50 Leu CA . 26534 1 73 . 1 1 8 8 LEU CB C 13 42.587 0.072 . 1 . . . . 50 Leu CB . 26534 1 74 . 1 1 8 8 LEU CG C 13 27.029 0.033 . 1 . . . . 50 Leu CG . 26534 1 75 . 1 1 8 8 LEU CD1 C 13 25.112 0.036 . 1 . . . . 50 Leu CD1 . 26534 1 76 . 1 1 8 8 LEU CD2 C 13 23.320 0.124 . 1 . . . . 50 Leu CD2 . 26534 1 77 . 1 1 8 8 LEU N N 15 123.224 0.011 . 1 . . . . 50 Leu N . 26534 1 78 . 1 1 9 9 ALA H H 1 8.430 0.001 . 1 . . . . 51 Ala H . 26534 1 79 . 1 1 9 9 ALA HA H 1 4.315 0.002 . 1 . . . . 51 Ala HA . 26534 1 80 . 1 1 9 9 ALA HB1 H 1 1.394 0.001 . 1 . . . . 51 Ala HB1 . 26534 1 81 . 1 1 9 9 ALA HB2 H 1 1.394 0.001 . 1 . . . . 51 Ala HB2 . 26534 1 82 . 1 1 9 9 ALA HB3 H 1 1.394 0.001 . 1 . . . . 51 Ala HB3 . 26534 1 83 . 1 1 9 9 ALA C C 13 177.320 0.000 . 1 . . . . 51 Ala C . 26534 1 84 . 1 1 9 9 ALA CA C 13 52.916 0.048 . 1 . . . . 51 Ala CA . 26534 1 85 . 1 1 9 9 ALA CB C 13 19.093 0.077 . 1 . . . . 51 Ala CB . 26534 1 86 . 1 1 9 9 ALA N N 15 124.901 0.012 . 1 . . . . 51 Ala N . 26534 1 87 . 1 1 10 10 THR H H 1 7.875 0.001 . 1 . . . . 52 Thr H . 26534 1 88 . 1 1 10 10 THR HA H 1 4.277 0.002 . 1 . . . . 52 Thr HA . 26534 1 89 . 1 1 10 10 THR HB H 1 4.225 0.001 . 1 . . . . 52 Thr HB . 26534 1 90 . 1 1 10 10 THR HG21 H 1 1.174 0.008 . 1 . . . . 52 Thr HG21 . 26534 1 91 . 1 1 10 10 THR HG22 H 1 1.174 0.008 . 1 . . . . 52 Thr HG22 . 26534 1 92 . 1 1 10 10 THR HG23 H 1 1.174 0.008 . 1 . . . . 52 Thr HG23 . 26534 1 93 . 1 1 10 10 THR C C 13 177.791 0.000 . 1 . . . . 52 Thr C . 26534 1 94 . 1 1 10 10 THR CA C 13 61.678 0.024 . 1 . . . . 52 Thr CA . 26534 1 95 . 1 1 10 10 THR CB C 13 69.564 0.072 . 1 . . . . 52 Thr CB . 26534 1 96 . 1 1 10 10 THR CG2 C 13 21.354 0.045 . 1 . . . . 52 Thr CG2 . 26534 1 97 . 1 1 10 10 THR N N 15 110.911 0.008 . 1 . . . . 52 Thr N . 26534 1 98 . 1 1 11 11 ASP H H 1 8.227 0.001 . 1 . . . . 53 Asp H . 26534 1 99 . 1 1 11 11 ASP HA H 1 4.620 0.005 . 1 . . . . 53 Asp HA . 26534 1 100 . 1 1 11 11 ASP HB2 H 1 2.718 0.002 . 1 . . . . 53 Asp HB2 . 26534 1 101 . 1 1 11 11 ASP HB3 H 1 2.620 0.000 . 1 . . . . 53 Asp HB3 . 26534 1 102 . 1 1 11 11 ASP C C 13 174.206 0.000 . 1 . . . . 53 Asp C . 26534 1 103 . 1 1 11 11 ASP CA C 13 54.483 0.033 . 1 . . . . 53 Asp CA . 26534 1 104 . 1 1 11 11 ASP CB C 13 41.221 0.104 . 1 . . . . 53 Asp CB . 26534 1 105 . 1 1 11 11 ASP N N 15 122.447 0.016 . 1 . . . . 53 Asp N . 26534 1 106 . 1 1 12 12 ILE H H 1 7.920 0.001 . 1 . . . . 54 Ile H . 26534 1 107 . 1 1 12 12 ILE HA H 1 4.080 0.008 . 1 . . . . 54 Ile HA . 26534 1 108 . 1 1 12 12 ILE HB H 1 1.764 0.008 . 1 . . . . 54 Ile HB . 26534 1 109 . 1 1 12 12 ILE HG12 H 1 1.396 0.002 . 1 . . . . 54 Ile HG12 . 26534 1 110 . 1 1 12 12 ILE HG13 H 1 1.159 0.010 . 1 . . . . 54 Ile HG13 . 26534 1 111 . 1 1 12 12 ILE HG21 H 1 0.881 0.003 . 1 . . . . 54 Ile HG21 . 26534 1 112 . 1 1 12 12 ILE HG22 H 1 0.881 0.003 . 1 . . . . 54 Ile HG22 . 26534 1 113 . 1 1 12 12 ILE HG23 H 1 0.881 0.003 . 1 . . . . 54 Ile HG23 . 26534 1 114 . 1 1 12 12 ILE HD11 H 1 0.787 0.002 . 1 . . . . 54 Ile HD11 . 26534 1 115 . 1 1 12 12 ILE HD12 H 1 0.787 0.002 . 1 . . . . 54 Ile HD12 . 26534 1 116 . 1 1 12 12 ILE HD13 H 1 0.787 0.002 . 1 . . . . 54 Ile HD13 . 26534 1 117 . 1 1 12 12 ILE C C 13 176.131 0.000 . 1 . . . . 54 Ile C . 26534 1 118 . 1 1 12 12 ILE CA C 13 61.025 0.026 . 1 . . . . 54 Ile CA . 26534 1 119 . 1 1 12 12 ILE CB C 13 38.780 0.035 . 1 . . . . 54 Ile CB . 26534 1 120 . 1 1 12 12 ILE CG1 C 13 27.070 0.043 . 1 . . . . 54 Ile CG1 . 26534 1 121 . 1 1 12 12 ILE CG2 C 13 17.503 0.048 . 1 . . . . 54 Ile CG2 . 26534 1 122 . 1 1 12 12 ILE CD1 C 13 13.186 0.032 . 1 . . . . 54 Ile CD1 . 26534 1 123 . 1 1 12 12 ILE N N 15 120.495 0.012 . 1 . . . . 54 Ile N . 26534 1 124 . 1 1 13 13 GLU H H 1 8.476 0.001 . 1 . . . . 55 Glu H . 26534 1 125 . 1 1 13 13 GLU HA H 1 4.157 0.003 . 1 . . . . 55 Glu HA . 26534 1 126 . 1 1 13 13 GLU HB2 H 1 2.109 0.001 . 1 . . . . 55 Glu HB2 . 26534 1 127 . 1 1 13 13 GLU HB3 H 1 1.975 0.001 . 1 . . . . 55 Glu HB3 . 26534 1 128 . 1 1 13 13 GLU HG3 H 1 2.292 0.000 . 1 . . . . 55 Glu HG3 . 26534 1 129 . 1 1 13 13 GLU C C 13 176.339 0.000 . 1 . . . . 55 Glu C . 26534 1 130 . 1 1 13 13 GLU CA C 13 57.174 0.091 . 1 . . . . 55 Glu CA . 26534 1 131 . 1 1 13 13 GLU CB C 13 30.071 0.042 . 1 . . . . 55 Glu CB . 26534 1 132 . 1 1 13 13 GLU CG C 13 36.475 0.022 . 1 . . . . 55 Glu CG . 26534 1 133 . 1 1 13 13 GLU N N 15 125.416 0.021 . 1 . . . . 55 Glu N . 26534 1 134 . 1 1 14 14 ASN H H 1 8.430 0.001 . 1 . . . . 56 Asn H . 26534 1 135 . 1 1 14 14 ASN HA H 1 4.423 0.003 . 1 . . . . 56 Asn HA . 26534 1 136 . 1 1 14 14 ASN HB2 H 1 2.787 0.005 . 1 . . . . 56 Asn HB2 . 26534 1 137 . 1 1 14 14 ASN HB3 H 1 2.787 0.004 . 1 . . . . 56 Asn HB3 . 26534 1 138 . 1 1 14 14 ASN C C 13 176.866 0.000 . 1 . . . . 56 Asn C . 26534 1 139 . 1 1 14 14 ASN CA C 13 55.064 0.050 . 1 . . . . 56 Asn CA . 26534 1 140 . 1 1 14 14 ASN CB C 13 38.743 0.045 . 1 . . . . 56 Asn CB . 26534 1 141 . 1 1 14 14 ASN N N 15 118.718 0.007 . 1 . . . . 56 Asn N . 26534 1 142 . 1 1 15 15 ASN H H 1 8.282 0.001 . 1 . . . . 57 Asn H . 26534 1 143 . 1 1 15 15 ASN HA H 1 4.537 0.001 . 1 . . . . 57 Asn HA . 26534 1 144 . 1 1 15 15 ASN HB2 H 1 3.021 0.003 . 1 . . . . 57 Asn HB2 . 26534 1 145 . 1 1 15 15 ASN HB3 H 1 3.020 0.008 . 1 . . . . 57 Asn HB3 . 26534 1 146 . 1 1 15 15 ASN C C 13 176.019 0.000 . 1 . . . . 57 Asn C . 26534 1 147 . 1 1 15 15 ASN CA C 13 54.387 0.022 . 1 . . . . 57 Asn CA . 26534 1 148 . 1 1 15 15 ASN CB C 13 38.096 0.038 . 1 . . . . 57 Asn CB . 26534 1 149 . 1 1 15 15 ASN N N 15 116.712 0.033 . 1 . . . . 57 Asn N . 26534 1 150 . 1 1 16 16 VAL H H 1 7.662 0.002 . 1 . . . . 58 Val H . 26534 1 151 . 1 1 16 16 VAL HA H 1 4.405 0.006 . 1 . . . . 58 Val HA . 26534 1 152 . 1 1 16 16 VAL HB H 1 2.680 0.006 . 1 . . . . 58 Val HB . 26534 1 153 . 1 1 16 16 VAL HG11 H 1 0.638 0.007 . 1 . . . . 58 Val HG11 . 26534 1 154 . 1 1 16 16 VAL HG12 H 1 0.638 0.007 . 1 . . . . 58 Val HG12 . 26534 1 155 . 1 1 16 16 VAL HG13 H 1 0.638 0.007 . 1 . . . . 58 Val HG13 . 26534 1 156 . 1 1 16 16 VAL HG21 H 1 0.921 0.003 . 1 . . . . 58 Val HG21 . 26534 1 157 . 1 1 16 16 VAL HG22 H 1 0.921 0.003 . 1 . . . . 58 Val HG22 . 26534 1 158 . 1 1 16 16 VAL HG23 H 1 0.921 0.003 . 1 . . . . 58 Val HG23 . 26534 1 159 . 1 1 16 16 VAL C C 13 175.187 0.000 . 1 . . . . 58 Val C . 26534 1 160 . 1 1 16 16 VAL CA C 13 60.578 0.120 . 1 . . . . 58 Val CA . 26534 1 161 . 1 1 16 16 VAL CB C 13 32.413 0.035 . 1 . . . . 58 Val CB . 26534 1 162 . 1 1 16 16 VAL CG1 C 13 21.393 0.044 . 1 . . . . 58 Val CG1 . 26534 1 163 . 1 1 16 16 VAL CG2 C 13 18.835 0.038 . 1 . . . . 58 Val CG2 . 26534 1 164 . 1 1 16 16 VAL N N 15 111.137 0.013 . 1 . . . . 58 Val N . 26534 1 165 . 1 1 17 17 ARG H H 1 7.434 0.001 . 1 . . . . 59 Arg H . 26534 1 166 . 1 1 17 17 ARG HA H 1 5.023 0.007 . 1 . . . . 59 Arg HA . 26534 1 167 . 1 1 17 17 ARG HB2 H 1 1.721 0.005 . 1 . . . . 59 Arg HB2 . 26534 1 168 . 1 1 17 17 ARG HB3 H 1 1.721 0.005 . 1 . . . . 59 Arg HB3 . 26534 1 169 . 1 1 17 17 ARG HG2 H 1 1.434 0.001 . 1 . . . . 59 Arg HG2 . 26534 1 170 . 1 1 17 17 ARG HG3 H 1 1.318 0.001 . 1 . . . . 59 Arg HG3 . 26534 1 171 . 1 1 17 17 ARG HD2 H 1 3.051 0.001 . 1 . . . . 59 Arg HD2 . 26534 1 172 . 1 1 17 17 ARG HD3 H 1 3.051 0.001 . 1 . . . . 59 Arg HD3 . 26534 1 173 . 1 1 17 17 ARG C C 13 174.052 0.000 . 1 . . . . 59 Arg C . 26534 1 174 . 1 1 17 17 ARG CA C 13 55.905 0.090 . 1 . . . . 59 Arg CA . 26534 1 175 . 1 1 17 17 ARG CB C 13 33.167 0.027 . 1 . . . . 59 Arg CB . 26534 1 176 . 1 1 17 17 ARG CG C 13 28.098 0.012 . 1 . . . . 59 Arg CG . 26534 1 177 . 1 1 17 17 ARG CD C 13 43.664 0.027 . 1 . . . . 59 Arg CD . 26534 1 178 . 1 1 17 17 ARG N N 15 121.999 0.011 . 1 . . . . 59 Arg N . 26534 1 179 . 1 1 18 18 VAL H H 1 9.092 0.001 . 1 . . . . 60 Val H . 26534 1 180 . 1 1 18 18 VAL HA H 1 4.400 0.004 . 1 . . . . 60 Val HA . 26534 1 181 . 1 1 18 18 VAL HB H 1 1.772 0.004 . 1 . . . . 60 Val HB . 26534 1 182 . 1 1 18 18 VAL HG11 H 1 0.860 0.008 . 1 . . . . 60 Val HG11 . 26534 1 183 . 1 1 18 18 VAL HG12 H 1 0.860 0.008 . 1 . . . . 60 Val HG12 . 26534 1 184 . 1 1 18 18 VAL HG13 H 1 0.860 0.008 . 1 . . . . 60 Val HG13 . 26534 1 185 . 1 1 18 18 VAL HG21 H 1 0.710 0.007 . 1 . . . . 60 Val HG21 . 26534 1 186 . 1 1 18 18 VAL HG22 H 1 0.710 0.007 . 1 . . . . 60 Val HG22 . 26534 1 187 . 1 1 18 18 VAL HG23 H 1 0.710 0.007 . 1 . . . . 60 Val HG23 . 26534 1 188 . 1 1 18 18 VAL C C 13 175.517 0.000 . 1 . . . . 60 Val C . 26534 1 189 . 1 1 18 18 VAL CA C 13 61.184 0.098 . 1 . . . . 60 Val CA . 26534 1 190 . 1 1 18 18 VAL CB C 13 35.109 0.049 . 1 . . . . 60 Val CB . 26534 1 191 . 1 1 18 18 VAL CG1 C 13 22.733 0.006 . 1 . . . . 60 Val CG1 . 26534 1 192 . 1 1 18 18 VAL CG2 C 13 21.829 0.035 . 1 . . . . 60 Val CG2 . 26534 1 193 . 1 1 18 18 VAL N N 15 125.383 0.019 . 1 . . . . 60 Val N . 26534 1 194 . 1 1 19 19 VAL H H 1 8.867 0.001 . 1 . . . . 61 Val H . 26534 1 195 . 1 1 19 19 VAL HA H 1 4.462 0.005 . 1 . . . . 61 Val HA . 26534 1 196 . 1 1 19 19 VAL HB H 1 1.805 0.003 . 1 . . . . 61 Val HB . 26534 1 197 . 1 1 19 19 VAL HG11 H 1 0.762 0.002 . 1 . . . . 61 Val HG11 . 26534 1 198 . 1 1 19 19 VAL HG12 H 1 0.762 0.002 . 1 . . . . 61 Val HG12 . 26534 1 199 . 1 1 19 19 VAL HG13 H 1 0.762 0.002 . 1 . . . . 61 Val HG13 . 26534 1 200 . 1 1 19 19 VAL HG21 H 1 0.158 0.002 . 1 . . . . 61 Val HG21 . 26534 1 201 . 1 1 19 19 VAL HG22 H 1 0.158 0.002 . 1 . . . . 61 Val HG22 . 26534 1 202 . 1 1 19 19 VAL HG23 H 1 0.158 0.002 . 1 . . . . 61 Val HG23 . 26534 1 203 . 1 1 19 19 VAL C C 13 173.655 0.000 . 1 . . . . 61 Val C . 26534 1 204 . 1 1 19 19 VAL CA C 13 62.067 0.146 . 1 . . . . 61 Val CA . 26534 1 205 . 1 1 19 19 VAL CB C 13 32.849 0.039 . 1 . . . . 61 Val CB . 26534 1 206 . 1 1 19 19 VAL CG1 C 13 21.270 0.009 . 1 . . . . 61 Val CG1 . 26534 1 207 . 1 1 19 19 VAL CG2 C 13 21.303 0.030 . 1 . . . . 61 Val CG2 . 26534 1 208 . 1 1 19 19 VAL N N 15 127.227 0.006 . 1 . . . . 61 Val N . 26534 1 209 . 1 1 20 20 VAL H H 1 9.008 0.001 . 1 . . . . 62 Val H . 26534 1 210 . 1 1 20 20 VAL HA H 1 4.265 0.005 . 1 . . . . 62 Val HA . 26534 1 211 . 1 1 20 20 VAL HB H 1 2.169 0.004 . 1 . . . . 62 Val HB . 26534 1 212 . 1 1 20 20 VAL HG11 H 1 0.915 0.006 . 1 . . . . 62 Val HG11 . 26534 1 213 . 1 1 20 20 VAL HG12 H 1 0.915 0.006 . 1 . . . . 62 Val HG12 . 26534 1 214 . 1 1 20 20 VAL HG13 H 1 0.915 0.006 . 1 . . . . 62 Val HG13 . 26534 1 215 . 1 1 20 20 VAL HG21 H 1 0.794 0.002 . 1 . . . . 62 Val HG21 . 26534 1 216 . 1 1 20 20 VAL HG22 H 1 0.794 0.002 . 1 . . . . 62 Val HG22 . 26534 1 217 . 1 1 20 20 VAL HG23 H 1 0.794 0.002 . 1 . . . . 62 Val HG23 . 26534 1 218 . 1 1 20 20 VAL C C 13 173.764 0.000 . 1 . . . . 62 Val C . 26534 1 219 . 1 1 20 20 VAL CA C 13 61.312 0.073 . 1 . . . . 62 Val CA . 26534 1 220 . 1 1 20 20 VAL CB C 13 33.253 0.022 . 1 . . . . 62 Val CB . 26534 1 221 . 1 1 20 20 VAL CG1 C 13 23.089 0.036 . 1 . . . . 62 Val CG1 . 26534 1 222 . 1 1 20 20 VAL CG2 C 13 20.952 0.008 . 1 . . . . 62 Val CG2 . 26534 1 223 . 1 1 20 20 VAL N N 15 128.396 0.009 . 1 . . . . 62 Val N . 26534 1 224 . 1 1 21 21 TYR H H 1 8.954 0.001 . 1 . . . . 63 Tyr H . 26534 1 225 . 1 1 21 21 TYR HA H 1 5.059 0.002 . 1 . . . . 63 Tyr HA . 26534 1 226 . 1 1 21 21 TYR HB2 H 1 2.806 0.002 . 1 . . . . 63 Tyr HB2 . 26534 1 227 . 1 1 21 21 TYR HB3 H 1 2.691 0.001 . 1 . . . . 63 Tyr HB3 . 26534 1 228 . 1 1 21 21 TYR HD1 H 1 6.975 0.002 . 1 . . . . 63 Tyr HD1 . 26534 1 229 . 1 1 21 21 TYR HD2 H 1 6.975 0.002 . 1 . . . . 63 Tyr HD2 . 26534 1 230 . 1 1 21 21 TYR HE1 H 1 6.707 0.004 . 1 . . . . 63 Tyr HE1 . 26534 1 231 . 1 1 21 21 TYR HE2 H 1 6.707 0.004 . 1 . . . . 63 Tyr HE2 . 26534 1 232 . 1 1 21 21 TYR C C 13 174.342 0.000 . 1 . . . . 63 Tyr C . 26534 1 233 . 1 1 21 21 TYR CA C 13 58.210 0.087 . 1 . . . . 63 Tyr CA . 26534 1 234 . 1 1 21 21 TYR CB C 13 38.837 0.037 . 1 . . . . 63 Tyr CB . 26534 1 235 . 1 1 21 21 TYR CD1 C 13 133.280 0.025 . 1 . . . . 63 Tyr CD1 . 26534 1 236 . 1 1 21 21 TYR CD2 C 13 133.280 0.025 . 1 . . . . 63 Tyr CD2 . 26534 1 237 . 1 1 21 21 TYR CE1 C 13 118.164 0.017 . 1 . . . . 63 Tyr CE1 . 26534 1 238 . 1 1 21 21 TYR CE2 C 13 118.164 0.017 . 1 . . . . 63 Tyr CE2 . 26534 1 239 . 1 1 21 21 TYR N N 15 125.255 0.010 . 1 . . . . 63 Tyr N . 26534 1 240 . 1 1 22 22 ILE H H 1 8.712 0.001 . 1 . . . . 64 Ile H . 26534 1 241 . 1 1 22 22 ILE HA H 1 4.689 0.005 . 1 . . . . 64 Ile HA . 26534 1 242 . 1 1 22 22 ILE HB H 1 1.944 0.007 . 1 . . . . 64 Ile HB . 26534 1 243 . 1 1 22 22 ILE HG12 H 1 1.658 0.003 . 1 . . . . 64 Ile HG12 . 26534 1 244 . 1 1 22 22 ILE HG13 H 1 1.047 0.007 . 1 . . . . 64 Ile HG13 . 26534 1 245 . 1 1 22 22 ILE HG21 H 1 1.269 0.003 . 1 . . . . 64 Ile HG21 . 26534 1 246 . 1 1 22 22 ILE HG22 H 1 1.269 0.003 . 1 . . . . 64 Ile HG22 . 26534 1 247 . 1 1 22 22 ILE HG23 H 1 1.269 0.003 . 1 . . . . 64 Ile HG23 . 26534 1 248 . 1 1 22 22 ILE HD11 H 1 0.866 0.006 . 1 . . . . 64 Ile HD11 . 26534 1 249 . 1 1 22 22 ILE HD12 H 1 0.866 0.006 . 1 . . . . 64 Ile HD12 . 26534 1 250 . 1 1 22 22 ILE HD13 H 1 0.866 0.006 . 1 . . . . 64 Ile HD13 . 26534 1 251 . 1 1 22 22 ILE C C 13 176.173 0.000 . 1 . . . . 64 Ile C . 26534 1 252 . 1 1 22 22 ILE CA C 13 59.756 0.051 . 1 . . . . 64 Ile CA . 26534 1 253 . 1 1 22 22 ILE CB C 13 39.991 0.017 . 1 . . . . 64 Ile CB . 26534 1 254 . 1 1 22 22 ILE CG1 C 13 27.033 0.050 . 1 . . . . 64 Ile CG1 . 26534 1 255 . 1 1 22 22 ILE CG2 C 13 18.422 0.055 . 1 . . . . 64 Ile CG2 . 26534 1 256 . 1 1 22 22 ILE CD1 C 13 13.757 0.027 . 1 . . . . 64 Ile CD1 . 26534 1 257 . 1 1 22 22 ILE N N 15 121.749 0.007 . 1 . . . . 64 Ile N . 26534 1 258 . 1 1 23 23 ARG H H 1 8.482 0.001 . 1 . . . . 65 Arg H . 26534 1 259 . 1 1 23 23 ARG HA H 1 4.126 0.002 . 1 . . . . 65 Arg HA . 26534 1 260 . 1 1 23 23 ARG HB2 H 1 2.165 0.001 . 1 . . . . 65 Arg HB2 . 26534 1 261 . 1 1 23 23 ARG HB3 H 1 2.166 0.007 . 1 . . . . 65 Arg HB3 . 26534 1 262 . 1 1 23 23 ARG HG2 H 1 1.681 0.001 . 1 . . . . 65 Arg HG2 . 26534 1 263 . 1 1 23 23 ARG HG3 H 1 1.589 0.000 . 1 . . . . 65 Arg HG3 . 26534 1 264 . 1 1 23 23 ARG HD2 H 1 3.321 0.001 . 1 . . . . 65 Arg HD2 . 26534 1 265 . 1 1 23 23 ARG HD3 H 1 3.290 0.001 . 1 . . . . 65 Arg HD3 . 26534 1 266 . 1 1 23 23 ARG C C 13 175.935 0.000 . 1 . . . . 65 Arg C . 26534 1 267 . 1 1 23 23 ARG CA C 13 58.022 0.027 . 1 . . . . 65 Arg CA . 26534 1 268 . 1 1 23 23 ARG CB C 13 32.506 0.024 . 1 . . . . 65 Arg CB . 26534 1 269 . 1 1 23 23 ARG CG C 13 28.265 0.020 . 1 . . . . 65 Arg CG . 26534 1 270 . 1 1 23 23 ARG CD C 13 43.779 0.019 . 1 . . . . 65 Arg CD . 26534 1 271 . 1 1 23 23 ARG N N 15 122.879 0.013 . 1 . . . . 65 Arg N . 26534 1 272 . 1 1 24 24 LYS H H 1 8.518 0.001 . 1 . . . . 66 Lys H . 26534 1 273 . 1 1 24 24 LYS HA H 1 4.322 0.002 . 1 . . . . 66 Lys HA . 26534 1 274 . 1 1 24 24 LYS HB2 H 1 1.917 0.001 . 1 . . . . 66 Lys HB2 . 26534 1 275 . 1 1 24 24 LYS HB3 H 1 1.862 0.009 . 1 . . . . 66 Lys HB3 . 26534 1 276 . 1 1 24 24 LYS HG2 H 1 1.585 0.002 . 1 . . . . 66 Lys HG2 . 26534 1 277 . 1 1 24 24 LYS HG3 H 1 1.517 0.001 . 1 . . . . 66 Lys HG3 . 26534 1 278 . 1 1 24 24 LYS HD2 H 1 1.611 0.004 . 1 . . . . 66 Lys HD2 . 26534 1 279 . 1 1 24 24 LYS HD3 H 1 1.611 0.004 . 1 . . . . 66 Lys HD3 . 26534 1 280 . 1 1 24 24 LYS HE3 H 1 2.667 0.003 . 1 . . . . 66 Lys HE3 . 26534 1 281 . 1 1 24 24 LYS C C 13 177.339 0.000 . 1 . . . . 66 Lys C . 26534 1 282 . 1 1 24 24 LYS CA C 13 58.710 0.040 . 1 . . . . 66 Lys CA . 26534 1 283 . 1 1 24 24 LYS CB C 13 32.734 0.029 . 1 . . . . 66 Lys CB . 26534 1 284 . 1 1 24 24 LYS CG C 13 25.469 0.012 . 1 . . . . 66 Lys CG . 26534 1 285 . 1 1 24 24 LYS CD C 13 28.939 0.038 . 1 . . . . 66 Lys CD . 26534 1 286 . 1 1 24 24 LYS CE C 13 41.453 0.032 . 1 . . . . 66 Lys CE . 26534 1 287 . 1 1 24 24 LYS N N 15 118.497 0.015 . 1 . . . . 66 Lys N . 26534 1 288 . 1 1 25 25 ASP H H 1 8.528 0.002 . 1 . . . . 67 Asp H . 26534 1 289 . 1 1 25 25 ASP HA H 1 4.628 0.004 . 1 . . . . 67 Asp HA . 26534 1 290 . 1 1 25 25 ASP HB2 H 1 3.034 0.002 . 1 . . . . 67 Asp HB2 . 26534 1 291 . 1 1 25 25 ASP HB3 H 1 2.661 0.001 . 1 . . . . 67 Asp HB3 . 26534 1 292 . 1 1 25 25 ASP C C 13 177.221 0.000 . 1 . . . . 67 Asp C . 26534 1 293 . 1 1 25 25 ASP CA C 13 53.714 0.040 . 1 . . . . 67 Asp CA . 26534 1 294 . 1 1 25 25 ASP CB C 13 39.531 0.063 . 1 . . . . 67 Asp CB . 26534 1 295 . 1 1 25 25 ASP N N 15 113.811 0.010 . 1 . . . . 67 Asp N . 26534 1 296 . 1 1 26 26 VAL H H 1 7.762 0.002 . 1 . . . . 68 Val H . 26534 1 297 . 1 1 26 26 VAL HA H 1 4.161 0.003 . 1 . . . . 68 Val HA . 26534 1 298 . 1 1 26 26 VAL HB H 1 2.448 0.005 . 1 . . . . 68 Val HB . 26534 1 299 . 1 1 26 26 VAL HG11 H 1 1.043 0.002 . 1 . . . . 68 Val HG11 . 26534 1 300 . 1 1 26 26 VAL HG12 H 1 1.043 0.002 . 1 . . . . 68 Val HG12 . 26534 1 301 . 1 1 26 26 VAL HG13 H 1 1.043 0.002 . 1 . . . . 68 Val HG13 . 26534 1 302 . 1 1 26 26 VAL HG21 H 1 1.042 0.007 . 1 . . . . 68 Val HG21 . 26534 1 303 . 1 1 26 26 VAL HG22 H 1 1.042 0.007 . 1 . . . . 68 Val HG22 . 26534 1 304 . 1 1 26 26 VAL HG23 H 1 1.042 0.007 . 1 . . . . 68 Val HG23 . 26534 1 305 . 1 1 26 26 VAL C C 13 175.157 0.000 . 1 . . . . 68 Val C . 26534 1 306 . 1 1 26 26 VAL CA C 13 62.490 0.029 . 1 . . . . 68 Val CA . 26534 1 307 . 1 1 26 26 VAL CB C 13 32.442 0.054 . 1 . . . . 68 Val CB . 26534 1 308 . 1 1 26 26 VAL CG1 C 13 21.971 0.002 . 1 . . . . 68 Val CG1 . 26534 1 309 . 1 1 26 26 VAL CG2 C 13 21.971 0.002 . 1 . . . . 68 Val CG2 . 26534 1 310 . 1 1 26 26 VAL N N 15 122.441 0.023 . 1 . . . . 68 Val N . 26534 1 311 . 1 1 27 27 GLU H H 1 8.561 0.001 . 1 . . . . 69 Glu H . 26534 1 312 . 1 1 27 27 GLU HA H 1 4.827 0.001 . 1 . . . . 69 Glu HA . 26534 1 313 . 1 1 27 27 GLU HB2 H 1 2.175 0.001 . 1 . . . . 69 Glu HB2 . 26534 1 314 . 1 1 27 27 GLU HB3 H 1 1.931 0.001 . 1 . . . . 69 Glu HB3 . 26534 1 315 . 1 1 27 27 GLU C C 13 175.133 0.000 . 1 . . . . 69 Glu C . 26534 1 316 . 1 1 27 27 GLU CA C 13 54.654 0.100 . 1 . . . . 69 Glu CA . 26534 1 317 . 1 1 27 27 GLU CB C 13 28.085 0.050 . 1 . . . . 69 Glu CB . 26534 1 318 . 1 1 27 27 GLU CG C 13 36.409 0.000 . 1 . . . . 69 Glu CG . 26534 1 319 . 1 1 27 27 GLU N N 15 129.456 0.010 . 1 . . . . 69 Glu N . 26534 1 320 . 1 1 28 28 ASP H H 1 7.880 0.002 . 1 . . . . 70 Asp H . 26534 1 321 . 1 1 28 28 ASP HA H 1 4.532 0.004 . 1 . . . . 70 Asp HA . 26534 1 322 . 1 1 28 28 ASP HB2 H 1 2.596 0.003 . 1 . . . . 70 Asp HB2 . 26534 1 323 . 1 1 28 28 ASP HB3 H 1 2.597 0.003 . 1 . . . . 70 Asp HB3 . 26534 1 324 . 1 1 28 28 ASP C C 13 177.375 0.000 . 1 . . . . 70 Asp C . 26534 1 325 . 1 1 28 28 ASP CA C 13 57.607 0.061 . 1 . . . . 70 Asp CA . 26534 1 326 . 1 1 28 28 ASP CB C 13 44.866 0.033 . 1 . . . . 70 Asp CB . 26534 1 327 . 1 1 28 28 ASP N N 15 118.263 0.005 . 1 . . . . 70 Asp N . 26534 1 328 . 1 1 29 29 ASN H H 1 8.701 0.001 . 1 . . . . 71 Asn H . 26534 1 329 . 1 1 29 29 ASN HA H 1 4.915 0.005 . 1 . . . . 71 Asn HA . 26534 1 330 . 1 1 29 29 ASN HB2 H 1 2.142 0.002 . 1 . . . . 71 Asn HB2 . 26534 1 331 . 1 1 29 29 ASN HB3 H 1 1.740 0.001 . 1 . . . . 71 Asn HB3 . 26534 1 332 . 1 1 29 29 ASN C C 13 176.684 0.000 . 1 . . . . 71 Asn C . 26534 1 333 . 1 1 29 29 ASN CA C 13 52.685 0.111 . 1 . . . . 71 Asn CA . 26534 1 334 . 1 1 29 29 ASN CB C 13 40.040 0.046 . 1 . . . . 71 Asn CB . 26534 1 335 . 1 1 29 29 ASN N N 15 112.978 0.012 . 1 . . . . 71 Asn N . 26534 1 336 . 1 1 30 30 SER H H 1 7.683 0.001 . 1 . . . . 72 Ser H . 26534 1 337 . 1 1 30 30 SER HA H 1 4.747 0.005 . 1 . . . . 72 Ser HA . 26534 1 338 . 1 1 30 30 SER HB2 H 1 4.151 0.002 . 1 . . . . 72 Ser HB2 . 26534 1 339 . 1 1 30 30 SER HB3 H 1 3.816 0.002 . 1 . . . . 72 Ser HB3 . 26534 1 340 . 1 1 30 30 SER C C 13 174.628 0.000 . 1 . . . . 72 Ser C . 26534 1 341 . 1 1 30 30 SER CA C 13 56.904 0.060 . 1 . . . . 72 Ser CA . 26534 1 342 . 1 1 30 30 SER CB C 13 63.790 0.067 . 1 . . . . 72 Ser CB . 26534 1 343 . 1 1 30 30 SER N N 15 115.128 0.008 . 1 . . . . 72 Ser N . 26534 1 344 . 1 1 31 31 GLN H H 1 9.013 0.002 . 1 . . . . 73 Gln H . 26534 1 345 . 1 1 31 31 GLN HA H 1 3.412 0.004 . 1 . . . . 73 Gln HA . 26534 1 346 . 1 1 31 31 GLN HB2 H 1 1.765 0.002 . 1 . . . . 73 Gln HB2 . 26534 1 347 . 1 1 31 31 GLN HB3 H 1 1.482 0.001 . 1 . . . . 73 Gln HB3 . 26534 1 348 . 1 1 31 31 GLN HG2 H 1 1.674 0.002 . 1 . . . . 73 Gln HG2 . 26534 1 349 . 1 1 31 31 GLN HG3 H 1 1.251 0.002 . 1 . . . . 73 Gln HG3 . 26534 1 350 . 1 1 31 31 GLN C C 13 173.692 0.000 . 1 . . . . 73 Gln C . 26534 1 351 . 1 1 31 31 GLN CA C 13 58.744 0.039 . 1 . . . . 73 Gln CA . 26534 1 352 . 1 1 31 31 GLN CB C 13 28.868 0.054 . 1 . . . . 73 Gln CB . 26534 1 353 . 1 1 31 31 GLN CG C 13 34.303 0.033 . 1 . . . . 73 Gln CG . 26534 1 354 . 1 1 31 31 GLN N N 15 126.636 0.015 . 1 . . . . 73 Gln N . 26534 1 355 . 1 1 32 32 THR H H 1 7.679 0.001 . 1 . . . . 74 Thr H . 26534 1 356 . 1 1 32 32 THR HA H 1 4.964 0.005 . 1 . . . . 74 Thr HA . 26534 1 357 . 1 1 32 32 THR HB H 1 3.985 0.003 . 1 . . . . 74 Thr HB . 26534 1 358 . 1 1 32 32 THR HG21 H 1 0.920 0.002 . 1 . . . . 74 Thr HG21 . 26534 1 359 . 1 1 32 32 THR HG22 H 1 0.920 0.002 . 1 . . . . 74 Thr HG22 . 26534 1 360 . 1 1 32 32 THR HG23 H 1 0.920 0.002 . 1 . . . . 74 Thr HG23 . 26534 1 361 . 1 1 32 32 THR C C 13 176.812 0.000 . 1 . . . . 74 Thr C . 26534 1 362 . 1 1 32 32 THR CA C 13 59.218 0.046 . 1 . . . . 74 Thr CA . 26534 1 363 . 1 1 32 32 THR CB C 13 71.565 0.068 . 1 . . . . 74 Thr CB . 26534 1 364 . 1 1 32 32 THR CG2 C 13 21.227 0.014 . 1 . . . . 74 Thr CG2 . 26534 1 365 . 1 1 32 32 THR N N 15 109.010 0.011 . 1 . . . . 74 Thr N . 26534 1 366 . 1 1 33 33 ILE H H 1 8.966 0.001 . 1 . . . . 75 Ile H . 26534 1 367 . 1 1 33 33 ILE HA H 1 4.634 0.004 . 1 . . . . 75 Ile HA . 26534 1 368 . 1 1 33 33 ILE HB H 1 1.885 0.004 . 1 . . . . 75 Ile HB . 26534 1 369 . 1 1 33 33 ILE HG12 H 1 1.250 0.002 . 1 . . . . 75 Ile HG12 . 26534 1 370 . 1 1 33 33 ILE HG13 H 1 0.825 0.001 . 1 . . . . 75 Ile HG13 . 26534 1 371 . 1 1 33 33 ILE HG21 H 1 0.862 0.004 . 1 . . . . 75 Ile HG21 . 26534 1 372 . 1 1 33 33 ILE HG22 H 1 0.862 0.004 . 1 . . . . 75 Ile HG22 . 26534 1 373 . 1 1 33 33 ILE HG23 H 1 0.862 0.004 . 1 . . . . 75 Ile HG23 . 26534 1 374 . 1 1 33 33 ILE C C 13 172.858 0.000 . 1 . . . . 75 Ile C . 26534 1 375 . 1 1 33 33 ILE CA C 13 59.502 0.087 . 1 . . . . 75 Ile CA . 26534 1 376 . 1 1 33 33 ILE CB C 13 42.576 0.028 . 1 . . . . 75 Ile CB . 26534 1 377 . 1 1 33 33 ILE CG1 C 13 26.220 0.029 . 1 . . . . 75 Ile CG1 . 26534 1 378 . 1 1 33 33 ILE CG2 C 13 18.646 0.050 . 1 . . . . 75 Ile CG2 . 26534 1 379 . 1 1 33 33 ILE CD1 C 13 13.662 0.000 . 1 . . . . 75 Ile CD1 . 26534 1 380 . 1 1 33 33 ILE N N 15 117.016 0.015 . 1 . . . . 75 Ile N . 26534 1 381 . 1 1 34 34 GLU H H 1 8.539 0.010 . 1 . . . . 76 Glu H . 26534 1 382 . 1 1 34 34 GLU HA H 1 5.057 0.004 . 1 . . . . 76 Glu HA . 26534 1 383 . 1 1 34 34 GLU HB2 H 1 1.868 0.001 . 1 . . . . 76 Glu HB2 . 26534 1 384 . 1 1 34 34 GLU HB3 H 1 1.868 0.001 . 1 . . . . 76 Glu HB3 . 26534 1 385 . 1 1 34 34 GLU HG2 H 1 2.103 0.002 . 1 . . . . 76 Glu HG2 . 26534 1 386 . 1 1 34 34 GLU HG3 H 1 2.005 0.004 . 1 . . . . 76 Glu HG3 . 26534 1 387 . 1 1 34 34 GLU C C 13 173.625 0.000 . 1 . . . . 76 Glu C . 26534 1 388 . 1 1 34 34 GLU CA C 13 54.988 0.033 . 1 . . . . 76 Glu CA . 26534 1 389 . 1 1 34 34 GLU CB C 13 30.740 0.057 . 1 . . . . 76 Glu CB . 26534 1 390 . 1 1 34 34 GLU CG C 13 36.417 0.047 . 1 . . . . 76 Glu CG . 26534 1 391 . 1 1 34 34 GLU N N 15 121.973 0.033 . 1 . . . . 76 Glu N . 26534 1 392 . 1 1 35 35 LYS H H 1 9.038 0.001 . 1 . . . . 77 Lys H . 26534 1 393 . 1 1 35 35 LYS HA H 1 4.559 0.002 . 1 . . . . 77 Lys HA . 26534 1 394 . 1 1 35 35 LYS HB2 H 1 1.766 0.001 . 1 . . . . 77 Lys HB2 . 26534 1 395 . 1 1 35 35 LYS HB3 H 1 1.583 0.001 . 1 . . . . 77 Lys HB3 . 26534 1 396 . 1 1 35 35 LYS HG2 H 1 1.416 0.003 . 1 . . . . 77 Lys HG2 . 26534 1 397 . 1 1 35 35 LYS HG3 H 1 1.284 0.001 . 1 . . . . 77 Lys HG3 . 26534 1 398 . 1 1 35 35 LYS HD3 H 1 1.716 0.001 . 1 . . . . 77 Lys HD3 . 26534 1 399 . 1 1 35 35 LYS HE3 H 1 2.957 0.003 . 1 . . . . 77 Lys HE3 . 26534 1 400 . 1 1 35 35 LYS C C 13 176.491 0.000 . 1 . . . . 77 Lys C . 26534 1 401 . 1 1 35 35 LYS CA C 13 55.546 0.040 . 1 . . . . 77 Lys CA . 26534 1 402 . 1 1 35 35 LYS CB C 13 35.356 0.028 . 1 . . . . 77 Lys CB . 26534 1 403 . 1 1 35 35 LYS CG C 13 24.891 0.019 . 1 . . . . 77 Lys CG . 26534 1 404 . 1 1 35 35 LYS CD C 13 29.211 0.010 . 1 . . . . 77 Lys CD . 26534 1 405 . 1 1 35 35 LYS CE C 13 42.067 0.000 . 1 . . . . 77 Lys CE . 26534 1 406 . 1 1 35 35 LYS N N 15 125.966 0.010 . 1 . . . . 77 Lys N . 26534 1 407 . 1 1 36 36 GLU H H 1 9.510 0.002 . 1 . . . . 78 Glu H . 26534 1 408 . 1 1 36 36 GLU HA H 1 3.905 0.002 . 1 . . . . 78 Glu HA . 26534 1 409 . 1 1 36 36 GLU HB2 H 1 2.254 0.001 . 1 . . . . 78 Glu HB2 . 26534 1 410 . 1 1 36 36 GLU HB3 H 1 2.019 0.002 . 1 . . . . 78 Glu HB3 . 26534 1 411 . 1 1 36 36 GLU HG2 H 1 2.252 0.005 . 1 . . . . 78 Glu HG2 . 26534 1 412 . 1 1 36 36 GLU HG3 H 1 2.252 0.003 . 1 . . . . 78 Glu HG3 . 26534 1 413 . 1 1 36 36 GLU C C 13 175.892 0.000 . 1 . . . . 78 Glu C . 26534 1 414 . 1 1 36 36 GLU CA C 13 56.938 0.062 . 1 . . . . 78 Glu CA . 26534 1 415 . 1 1 36 36 GLU CB C 13 27.582 0.051 . 1 . . . . 78 Glu CB . 26534 1 416 . 1 1 36 36 GLU CG C 13 36.619 0.003 . 1 . . . . 78 Glu CG . 26534 1 417 . 1 1 36 36 GLU N N 15 125.707 0.014 . 1 . . . . 78 Glu N . 26534 1 418 . 1 1 37 37 GLY H H 1 8.739 0.001 . 1 . . . . 79 Gly H . 26534 1 419 . 1 1 37 37 GLY HA2 H 1 4.139 0.004 . 1 . . . . 79 Gly HA2 . 26534 1 420 . 1 1 37 37 GLY HA3 H 1 3.665 0.002 . 1 . . . . 79 Gly HA3 . 26534 1 421 . 1 1 37 37 GLY C C 13 176.557 0.000 . 1 . . . . 79 Gly C . 26534 1 422 . 1 1 37 37 GLY CA C 13 45.521 0.027 . 1 . . . . 79 Gly CA . 26534 1 423 . 1 1 37 37 GLY N N 15 104.635 0.013 . 1 . . . . 79 Gly N . 26534 1 424 . 1 1 38 38 GLN H H 1 7.785 0.001 . 1 . . . . 80 Gln H . 26534 1 425 . 1 1 38 38 GLN HA H 1 4.716 0.004 . 1 . . . . 80 Gln HA . 26534 1 426 . 1 1 38 38 GLN HB2 H 1 2.103 0.001 . 1 . . . . 80 Gln HB2 . 26534 1 427 . 1 1 38 38 GLN HB3 H 1 1.939 0.002 . 1 . . . . 80 Gln HB3 . 26534 1 428 . 1 1 38 38 GLN HG2 H 1 2.316 0.002 . 1 . . . . 80 Gln HG2 . 26534 1 429 . 1 1 38 38 GLN HG3 H 1 2.316 0.002 . 1 . . . . 80 Gln HG3 . 26534 1 430 . 1 1 38 38 GLN C C 13 173.842 0.000 . 1 . . . . 80 Gln C . 26534 1 431 . 1 1 38 38 GLN CA C 13 53.714 0.045 . 1 . . . . 80 Gln CA . 26534 1 432 . 1 1 38 38 GLN CB C 13 31.612 0.028 . 1 . . . . 80 Gln CB . 26534 1 433 . 1 1 38 38 GLN CG C 13 33.285 0.038 . 1 . . . . 80 Gln CG . 26534 1 434 . 1 1 38 38 GLN N N 15 119.041 0.005 . 1 . . . . 80 Gln N . 26534 1 435 . 1 1 39 39 THR H H 1 8.639 0.001 . 1 . . . . 81 Thr H . 26534 1 436 . 1 1 39 39 THR HA H 1 4.718 0.001 . 1 . . . . 81 Thr HA . 26534 1 437 . 1 1 39 39 THR HB H 1 3.929 0.000 . 1 . . . . 81 Thr HB . 26534 1 438 . 1 1 39 39 THR HG21 H 1 1.107 0.002 . 1 . . . . 81 Thr HG21 . 26534 1 439 . 1 1 39 39 THR HG22 H 1 1.107 0.002 . 1 . . . . 81 Thr HG22 . 26534 1 440 . 1 1 39 39 THR HG23 H 1 1.107 0.002 . 1 . . . . 81 Thr HG23 . 26534 1 441 . 1 1 39 39 THR C C 13 174.435 0.000 . 1 . . . . 81 Thr C . 26534 1 442 . 1 1 39 39 THR CA C 13 63.047 0.057 . 1 . . . . 81 Thr CA . 26534 1 443 . 1 1 39 39 THR CB C 13 68.972 0.043 . 1 . . . . 81 Thr CB . 26534 1 444 . 1 1 39 39 THR CG2 C 13 21.843 0.002 . 1 . . . . 81 Thr CG2 . 26534 1 445 . 1 1 39 39 THR N N 15 120.099 0.007 . 1 . . . . 81 Thr N . 26534 1 446 . 1 1 40 40 VAL H H 1 9.262 0.001 . 1 . . . . 82 Val H . 26534 1 447 . 1 1 40 40 VAL HA H 1 4.744 0.005 . 1 . . . . 82 Val HA . 26534 1 448 . 1 1 40 40 VAL HB H 1 2.253 0.002 . 1 . . . . 82 Val HB . 26534 1 449 . 1 1 40 40 VAL HG11 H 1 0.895 0.001 . 1 . . . . 82 Val HG11 . 26534 1 450 . 1 1 40 40 VAL HG12 H 1 0.895 0.001 . 1 . . . . 82 Val HG12 . 26534 1 451 . 1 1 40 40 VAL HG13 H 1 0.895 0.001 . 1 . . . . 82 Val HG13 . 26534 1 452 . 1 1 40 40 VAL HG21 H 1 0.774 0.001 . 1 . . . . 82 Val HG21 . 26534 1 453 . 1 1 40 40 VAL HG22 H 1 0.774 0.001 . 1 . . . . 82 Val HG22 . 26534 1 454 . 1 1 40 40 VAL HG23 H 1 0.774 0.001 . 1 . . . . 82 Val HG23 . 26534 1 455 . 1 1 40 40 VAL C C 13 174.772 0.000 . 1 . . . . 82 Val C . 26534 1 456 . 1 1 40 40 VAL CA C 13 58.953 0.074 . 1 . . . . 82 Val CA . 26534 1 457 . 1 1 40 40 VAL CB C 13 35.956 0.023 . 1 . . . . 82 Val CB . 26534 1 458 . 1 1 40 40 VAL CG1 C 13 21.628 0.012 . 1 . . . . 82 Val CG1 . 26534 1 459 . 1 1 40 40 VAL CG2 C 13 19.301 0.038 . 1 . . . . 82 Val CG2 . 26534 1 460 . 1 1 40 40 VAL N N 15 122.922 0.010 . 1 . . . . 82 Val N . 26534 1 461 . 1 1 41 41 THR H H 1 8.440 0.001 . 1 . . . . 83 Thr H . 26534 1 462 . 1 1 41 41 THR HA H 1 3.975 0.004 . 1 . . . . 83 Thr HA . 26534 1 463 . 1 1 41 41 THR HB H 1 3.956 0.005 . 1 . . . . 83 Thr HB . 26534 1 464 . 1 1 41 41 THR HG21 H 1 1.128 0.002 . 1 . . . . 83 Thr HG21 . 26534 1 465 . 1 1 41 41 THR HG22 H 1 1.128 0.002 . 1 . . . . 83 Thr HG22 . 26534 1 466 . 1 1 41 41 THR HG23 H 1 1.128 0.002 . 1 . . . . 83 Thr HG23 . 26534 1 467 . 1 1 41 41 THR C C 13 175.078 0.000 . 1 . . . . 83 Thr C . 26534 1 468 . 1 1 41 41 THR CA C 13 64.385 0.049 . 1 . . . . 83 Thr CA . 26534 1 469 . 1 1 41 41 THR CB C 13 69.305 0.022 . 1 . . . . 83 Thr CB . 26534 1 470 . 1 1 41 41 THR CG2 C 13 21.905 0.045 . 1 . . . . 83 Thr CG2 . 26534 1 471 . 1 1 41 41 THR N N 15 118.181 0.012 . 1 . . . . 83 Thr N . 26534 1 472 . 1 1 42 42 ASN H H 1 8.391 0.002 . 1 . . . . 84 Asn H . 26534 1 473 . 1 1 42 42 ASN HA H 1 4.713 0.001 . 1 . . . . 84 Asn HA . 26534 1 474 . 1 1 42 42 ASN HB2 H 1 3.321 0.003 . 1 . . . . 84 Asn HB2 . 26534 1 475 . 1 1 42 42 ASN HB3 H 1 2.268 0.001 . 1 . . . . 84 Asn HB3 . 26534 1 476 . 1 1 42 42 ASN C C 13 173.667 0.000 . 1 . . . . 84 Asn C . 26534 1 477 . 1 1 42 42 ASN CA C 13 51.081 0.133 . 1 . . . . 84 Asn CA . 26534 1 478 . 1 1 42 42 ASN CB C 13 37.754 0.039 . 1 . . . . 84 Asn CB . 26534 1 479 . 1 1 42 42 ASN N N 15 122.415 0.008 . 1 . . . . 84 Asn N . 26534 1 480 . 1 1 43 43 ASN HA H 1 4.534 0.004 . 1 . . . . 85 Asn HA . 26534 1 481 . 1 1 43 43 ASN HB2 H 1 2.883 0.002 . 1 . . . . 85 Asn HB2 . 26534 1 482 . 1 1 43 43 ASN HB3 H 1 2.796 0.000 . 1 . . . . 85 Asn HB3 . 26534 1 483 . 1 1 43 43 ASN CA C 13 55.535 0.022 . 1 . . . . 85 Asn CA . 26534 1 484 . 1 1 43 43 ASN CB C 13 38.162 0.021 . 1 . . . . 85 Asn CB . 26534 1 485 . 1 1 44 44 ASP H H 1 7.727 0.001 . 1 . . . . 86 Asp H . 26534 1 486 . 1 1 44 44 ASP HA H 1 4.877 0.006 . 1 . . . . 86 Asp HA . 26534 1 487 . 1 1 44 44 ASP HB2 H 1 3.011 0.001 . 1 . . . . 86 Asp HB2 . 26534 1 488 . 1 1 44 44 ASP HB3 H 1 2.708 0.001 . 1 . . . . 86 Asp HB3 . 26534 1 489 . 1 1 44 44 ASP C C 13 175.163 0.000 . 1 . . . . 86 Asp C . 26534 1 490 . 1 1 44 44 ASP CA C 13 53.745 0.057 . 1 . . . . 86 Asp CA . 26534 1 491 . 1 1 44 44 ASP CB C 13 40.992 0.006 . 1 . . . . 86 Asp CB . 26534 1 492 . 1 1 44 44 ASP N N 15 116.438 0.011 . 1 . . . . 86 Asp N . 26534 1 493 . 1 1 45 45 TYR H H 1 7.097 0.001 . 1 . . . . 87 Tyr H . 26534 1 494 . 1 1 45 45 TYR HA H 1 3.979 0.004 . 1 . . . . 87 Tyr HA . 26534 1 495 . 1 1 45 45 TYR HB2 H 1 3.323 0.002 . 1 . . . . 87 Tyr HB2 . 26534 1 496 . 1 1 45 45 TYR HB3 H 1 2.766 0.002 . 1 . . . . 87 Tyr HB3 . 26534 1 497 . 1 1 45 45 TYR HD1 H 1 6.747 0.005 . 1 . . . . 87 Tyr HD1 . 26534 1 498 . 1 1 45 45 TYR HD2 H 1 6.747 0.005 . 1 . . . . 87 Tyr HD2 . 26534 1 499 . 1 1 45 45 TYR HE1 H 1 6.243 0.002 . 1 . . . . 87 Tyr HE1 . 26534 1 500 . 1 1 45 45 TYR HE2 H 1 6.243 0.002 . 1 . . . . 87 Tyr HE2 . 26534 1 501 . 1 1 45 45 TYR C C 13 175.453 0.000 . 1 . . . . 87 Tyr C . 26534 1 502 . 1 1 45 45 TYR CA C 13 59.019 0.082 . 1 . . . . 87 Tyr CA . 26534 1 503 . 1 1 45 45 TYR CB C 13 38.616 0.058 . 1 . . . . 87 Tyr CB . 26534 1 504 . 1 1 45 45 TYR CD1 C 13 133.737 0.010 . 1 . . . . 87 Tyr CD1 . 26534 1 505 . 1 1 45 45 TYR CD2 C 13 133.737 0.010 . 1 . . . . 87 Tyr CD2 . 26534 1 506 . 1 1 45 45 TYR CE1 C 13 117.056 0.031 . 1 . . . . 87 Tyr CE1 . 26534 1 507 . 1 1 45 45 TYR CE2 C 13 117.056 0.031 . 1 . . . . 87 Tyr CE2 . 26534 1 508 . 1 1 45 45 TYR N N 15 122.108 0.013 . 1 . . . . 87 Tyr N . 26534 1 509 . 1 1 46 46 HIS H H 1 9.626 0.003 . 1 . . . . 88 His H . 26534 1 510 . 1 1 46 46 HIS HA H 1 4.286 0.003 . 1 . . . . 88 His HA . 26534 1 511 . 1 1 46 46 HIS HB2 H 1 3.551 0.003 . 1 . . . . 88 His HB2 . 26534 1 512 . 1 1 46 46 HIS HB3 H 1 2.346 0.003 . 1 . . . . 88 His HB3 . 26534 1 513 . 1 1 46 46 HIS HD2 H 1 6.907 0.006 . 1 . . . . 88 His HD2 . 26534 1 514 . 1 1 46 46 HIS HE1 H 1 7.916 0.001 . 1 . . . . 88 His HE1 . 26534 1 515 . 1 1 46 46 HIS C C 13 175.544 0.000 . 1 . . . . 88 His C . 26534 1 516 . 1 1 46 46 HIS CA C 13 55.068 0.076 . 1 . . . . 88 His CA . 26534 1 517 . 1 1 46 46 HIS CB C 13 27.054 0.066 . 1 . . . . 88 His CB . 26534 1 518 . 1 1 46 46 HIS CE1 C 13 135.086 0.004 . 1 . . . . 88 His CE1 . 26534 1 519 . 1 1 46 46 HIS N N 15 123.666 0.009 . 1 . . . . 88 His N . 26534 1 520 . 1 1 47 47 LYS H H 1 7.874 0.001 . 1 . . . . 89 Lys H . 26534 1 521 . 1 1 47 47 LYS HA H 1 4.128 0.003 . 1 . . . . 89 Lys HA . 26534 1 522 . 1 1 47 47 LYS HB2 H 1 1.999 0.003 . 1 . . . . 89 Lys HB2 . 26534 1 523 . 1 1 47 47 LYS HB3 H 1 1.920 0.001 . 1 . . . . 89 Lys HB3 . 26534 1 524 . 1 1 47 47 LYS HG2 H 1 1.534 0.003 . 1 . . . . 89 Lys HG2 . 26534 1 525 . 1 1 47 47 LYS HG3 H 1 1.403 0.006 . 1 . . . . 89 Lys HG3 . 26534 1 526 . 1 1 47 47 LYS HE3 H 1 3.073 0.002 . 1 . . . . 89 Lys HE3 . 26534 1 527 . 1 1 47 47 LYS C C 13 173.190 0.000 . 1 . . . . 89 Lys C . 26534 1 528 . 1 1 47 47 LYS CA C 13 60.727 0.048 . 1 . . . . 89 Lys CA . 26534 1 529 . 1 1 47 47 LYS CB C 13 32.886 0.025 . 1 . . . . 89 Lys CB . 26534 1 530 . 1 1 47 47 LYS CG C 13 25.723 0.030 . 1 . . . . 89 Lys CG . 26534 1 531 . 1 1 47 47 LYS CD C 13 29.253 0.000 . 1 . . . . 89 Lys CD . 26534 1 532 . 1 1 47 47 LYS CE C 13 41.950 0.005 . 1 . . . . 89 Lys CE . 26534 1 533 . 1 1 47 47 LYS N N 15 122.030 0.011 . 1 . . . . 89 Lys N . 26534 1 534 . 1 1 48 48 VAL H H 1 10.520 0.001 . 1 . . . . 90 Val H . 26534 1 535 . 1 1 48 48 VAL HA H 1 3.570 0.006 . 1 . . . . 90 Val HA . 26534 1 536 . 1 1 48 48 VAL HB H 1 2.155 0.006 . 1 . . . . 90 Val HB . 26534 1 537 . 1 1 48 48 VAL HG11 H 1 1.055 0.008 . 1 . . . . 90 Val HG11 . 26534 1 538 . 1 1 48 48 VAL HG12 H 1 1.055 0.008 . 1 . . . . 90 Val HG12 . 26534 1 539 . 1 1 48 48 VAL HG13 H 1 1.055 0.008 . 1 . . . . 90 Val HG13 . 26534 1 540 . 1 1 48 48 VAL HG21 H 1 0.779 0.010 . 1 . . . . 90 Val HG21 . 26534 1 541 . 1 1 48 48 VAL HG22 H 1 0.779 0.010 . 1 . . . . 90 Val HG22 . 26534 1 542 . 1 1 48 48 VAL HG23 H 1 0.779 0.010 . 1 . . . . 90 Val HG23 . 26534 1 543 . 1 1 48 48 VAL C C 13 180.278 0.000 . 1 . . . . 90 Val C . 26534 1 544 . 1 1 48 48 VAL CA C 13 66.799 0.019 . 1 . . . . 90 Val CA . 26534 1 545 . 1 1 48 48 VAL CB C 13 31.156 0.050 . 1 . . . . 90 Val CB . 26534 1 546 . 1 1 48 48 VAL CG1 C 13 21.791 0.070 . 1 . . . . 90 Val CG1 . 26534 1 547 . 1 1 48 48 VAL CG2 C 13 21.232 0.014 . 1 . . . . 90 Val CG2 . 26534 1 548 . 1 1 48 48 VAL N N 15 123.249 0.023 . 1 . . . . 90 Val N . 26534 1 549 . 1 1 49 49 TYR H H 1 7.917 0.002 . 1 . . . . 91 Tyr H . 26534 1 550 . 1 1 49 49 TYR HA H 1 2.759 0.005 . 1 . . . . 91 Tyr HA . 26534 1 551 . 1 1 49 49 TYR HB2 H 1 2.504 0.003 . 1 . . . . 91 Tyr HB2 . 26534 1 552 . 1 1 49 49 TYR HB3 H 1 1.729 0.004 . 1 . . . . 91 Tyr HB3 . 26534 1 553 . 1 1 49 49 TYR HD1 H 1 6.581 0.007 . 1 . . . . 91 Tyr HD1 . 26534 1 554 . 1 1 49 49 TYR HD2 H 1 6.581 0.007 . 1 . . . . 91 Tyr HD2 . 26534 1 555 . 1 1 49 49 TYR HE1 H 1 6.585 0.001 . 1 . . . . 91 Tyr HE1 . 26534 1 556 . 1 1 49 49 TYR HE2 H 1 6.585 0.001 . 1 . . . . 91 Tyr HE2 . 26534 1 557 . 1 1 49 49 TYR C C 13 177.486 0.000 . 1 . . . . 91 Tyr C . 26534 1 558 . 1 1 49 49 TYR CA C 13 62.183 0.080 . 1 . . . . 91 Tyr CA . 26534 1 559 . 1 1 49 49 TYR CB C 13 38.283 0.054 . 1 . . . . 91 Tyr CB . 26534 1 560 . 1 1 49 49 TYR CD1 C 13 133.138 0.007 . 1 . . . . 91 Tyr CD1 . 26534 1 561 . 1 1 49 49 TYR CD2 C 13 133.138 0.007 . 1 . . . . 91 Tyr CD2 . 26534 1 562 . 1 1 49 49 TYR CE1 C 13 117.232 0.015 . 1 . . . . 91 Tyr CE1 . 26534 1 563 . 1 1 49 49 TYR CE2 C 13 117.232 0.015 . 1 . . . . 91 Tyr CE2 . 26534 1 564 . 1 1 49 49 TYR N N 15 120.709 0.010 . 1 . . . . 91 Tyr N . 26534 1 565 . 1 1 50 50 ASP H H 1 8.874 0.002 . 1 . . . . 92 Asp H . 26534 1 566 . 1 1 50 50 ASP HA H 1 4.043 0.008 . 1 . . . . 92 Asp HA . 26534 1 567 . 1 1 50 50 ASP HB2 H 1 2.811 0.003 . 1 . . . . 92 Asp HB2 . 26534 1 568 . 1 1 50 50 ASP HB3 H 1 2.485 0.003 . 1 . . . . 92 Asp HB3 . 26534 1 569 . 1 1 50 50 ASP C C 13 176.126 0.000 . 1 . . . . 92 Asp C . 26534 1 570 . 1 1 50 50 ASP CA C 13 57.108 0.080 . 1 . . . . 92 Asp CA . 26534 1 571 . 1 1 50 50 ASP CB C 13 39.775 0.030 . 1 . . . . 92 Asp CB . 26534 1 572 . 1 1 50 50 ASP N N 15 116.688 0.008 . 1 . . . . 92 Asp N . 26534 1 573 . 1 1 51 51 SER H H 1 7.194 0.003 . 1 . . . . 93 Ser H . 26534 1 574 . 1 1 51 51 SER HA H 1 4.141 0.002 . 1 . . . . 93 Ser HA . 26534 1 575 . 1 1 51 51 SER HB2 H 1 4.140 0.001 . 1 . . . . 93 Ser HB2 . 26534 1 576 . 1 1 51 51 SER HB3 H 1 3.743 0.002 . 1 . . . . 93 Ser HB3 . 26534 1 577 . 1 1 51 51 SER C C 13 178.659 0.000 . 1 . . . . 93 Ser C . 26534 1 578 . 1 1 51 51 SER CA C 13 62.555 0.092 . 1 . . . . 93 Ser CA . 26534 1 579 . 1 1 51 51 SER CB C 13 63.214 0.027 . 1 . . . . 93 Ser CB . 26534 1 580 . 1 1 51 51 SER N N 15 115.059 0.007 . 1 . . . . 93 Ser N . 26534 1 581 . 1 1 52 52 LEU H H 1 7.504 0.001 . 1 . . . . 94 Leu H . 26534 1 582 . 1 1 52 52 LEU HA H 1 4.093 0.006 . 1 . . . . 94 Leu HA . 26534 1 583 . 1 1 52 52 LEU HB2 H 1 1.634 0.006 . 1 . . . . 94 Leu HB2 . 26534 1 584 . 1 1 52 52 LEU HB3 H 1 0.854 0.009 . 1 . . . . 94 Leu HB3 . 26534 1 585 . 1 1 52 52 LEU HG H 1 0.460 0.009 . 1 . . . . 94 Leu HG . 26534 1 586 . 1 1 52 52 LEU HD11 H 1 0.662 0.005 . 1 . . . . 94 Leu HD11 . 26534 1 587 . 1 1 52 52 LEU HD12 H 1 0.662 0.005 . 1 . . . . 94 Leu HD12 . 26534 1 588 . 1 1 52 52 LEU HD13 H 1 0.662 0.005 . 1 . . . . 94 Leu HD13 . 26534 1 589 . 1 1 52 52 LEU C C 13 175.973 0.000 . 1 . . . . 94 Leu C . 26534 1 590 . 1 1 52 52 LEU CA C 13 56.978 0.057 . 1 . . . . 94 Leu CA . 26534 1 591 . 1 1 52 52 LEU CB C 13 42.523 0.033 . 1 . . . . 94 Leu CB . 26534 1 592 . 1 1 52 52 LEU CG C 13 26.297 0.014 . 1 . . . . 94 Leu CG . 26534 1 593 . 1 1 52 52 LEU CD1 C 13 22.522 0.072 . 1 . . . . 94 Leu CD1 . 26534 1 594 . 1 1 52 52 LEU N N 15 120.186 0.005 . 1 . . . . 94 Leu N . 26534 1 595 . 1 1 53 53 LYS H H 1 8.290 0.002 . 1 . . . . 95 Lys H . 26534 1 596 . 1 1 53 53 LYS HA H 1 3.501 0.004 . 1 . . . . 95 Lys HA . 26534 1 597 . 1 1 53 53 LYS HB2 H 1 1.441 0.003 . 1 . . . . 95 Lys HB2 . 26534 1 598 . 1 1 53 53 LYS HB3 H 1 1.156 0.002 . 1 . . . . 95 Lys HB3 . 26534 1 599 . 1 1 53 53 LYS HG3 H 1 1.099 0.001 . 1 . . . . 95 Lys HG3 . 26534 1 600 . 1 1 53 53 LYS HD2 H 1 1.450 0.004 . 1 . . . . 95 Lys HD2 . 26534 1 601 . 1 1 53 53 LYS HD3 H 1 1.332 0.001 . 1 . . . . 95 Lys HD3 . 26534 1 602 . 1 1 53 53 LYS HE3 H 1 2.951 0.004 . 1 . . . . 95 Lys HE3 . 26534 1 603 . 1 1 53 53 LYS C C 13 177.523 0.000 . 1 . . . . 95 Lys C . 26534 1 604 . 1 1 53 53 LYS CA C 13 57.328 0.042 . 1 . . . . 95 Lys CA . 26534 1 605 . 1 1 53 53 LYS CB C 13 31.406 0.042 . 1 . . . . 95 Lys CB . 26534 1 606 . 1 1 53 53 LYS CG C 13 23.912 0.042 . 1 . . . . 95 Lys CG . 26534 1 607 . 1 1 53 53 LYS CD C 13 28.174 0.037 . 1 . . . . 95 Lys CD . 26534 1 608 . 1 1 53 53 LYS CE C 13 41.838 0.039 . 1 . . . . 95 Lys CE . 26534 1 609 . 1 1 53 53 LYS N N 15 116.799 0.024 . 1 . . . . 95 Lys N . 26534 1 610 . 1 1 54 54 ASN H H 1 7.472 0.001 . 1 . . . . 96 Asn H . 26534 1 611 . 1 1 54 54 ASN HA H 1 4.522 0.004 . 1 . . . . 96 Asn HA . 26534 1 612 . 1 1 54 54 ASN HB2 H 1 2.825 0.002 . 1 . . . . 96 Asn HB2 . 26534 1 613 . 1 1 54 54 ASN HB3 H 1 2.717 0.005 . 1 . . . . 96 Asn HB3 . 26534 1 614 . 1 1 54 54 ASN C C 13 177.562 0.000 . 1 . . . . 96 Asn C . 26534 1 615 . 1 1 54 54 ASN CA C 13 53.278 0.110 . 1 . . . . 96 Asn CA . 26534 1 616 . 1 1 54 54 ASN CB C 13 38.850 0.042 . 1 . . . . 96 Asn CB . 26534 1 617 . 1 1 54 54 ASN N N 15 113.100 0.008 . 1 . . . . 96 Asn N . 26534 1 618 . 1 1 55 55 MET H H 1 7.410 0.001 . 1 . . . . 97 Met H . 26534 1 619 . 1 1 55 55 MET HA H 1 4.290 0.007 . 1 . . . . 97 Met HA . 26534 1 620 . 1 1 55 55 MET HB2 H 1 2.249 0.000 . 1 . . . . 97 Met HB2 . 26534 1 621 . 1 1 55 55 MET HB3 H 1 1.898 0.000 . 1 . . . . 97 Met HB3 . 26534 1 622 . 1 1 55 55 MET HG2 H 1 3.292 0.003 . 1 . . . . 97 Met HG2 . 26534 1 623 . 1 1 55 55 MET HG3 H 1 2.523 0.002 . 1 . . . . 97 Met HG3 . 26534 1 624 . 1 1 55 55 MET HE1 H 1 1.958 0.000 . 1 . . . . 97 Met HE1 . 26534 1 625 . 1 1 55 55 MET HE2 H 1 1.958 0.000 . 1 . . . . 97 Met HE2 . 26534 1 626 . 1 1 55 55 MET HE3 H 1 1.958 0.000 . 1 . . . . 97 Met HE3 . 26534 1 627 . 1 1 55 55 MET C C 13 175.900 0.000 . 1 . . . . 97 Met C . 26534 1 628 . 1 1 55 55 MET CA C 13 57.336 0.040 . 1 . . . . 97 Met CA . 26534 1 629 . 1 1 55 55 MET CB C 13 32.023 0.017 . 1 . . . . 97 Met CB . 26534 1 630 . 1 1 55 55 MET CG C 13 33.266 0.027 . 1 . . . . 97 Met CG . 26534 1 631 . 1 1 55 55 MET CE C 13 18.122 0.007 . 1 . . . . 97 Met CE . 26534 1 632 . 1 1 55 55 MET N N 15 121.102 0.013 . 1 . . . . 97 Met N . 26534 1 633 . 1 1 56 56 SER H H 1 8.889 0.003 . 1 . . . . 98 Ser H . 26534 1 634 . 1 1 56 56 SER HA H 1 4.184 0.002 . 1 . . . . 98 Ser HA . 26534 1 635 . 1 1 56 56 SER HB2 H 1 3.971 0.001 . 1 . . . . 98 Ser HB2 . 26534 1 636 . 1 1 56 56 SER HB3 H 1 3.977 0.013 . 1 . . . . 98 Ser HB3 . 26534 1 637 . 1 1 56 56 SER C C 13 178.004 0.000 . 1 . . . . 98 Ser C . 26534 1 638 . 1 1 56 56 SER CA C 13 60.847 0.098 . 1 . . . . 98 Ser CA . 26534 1 639 . 1 1 56 56 SER CB C 13 62.830 0.081 . 1 . . . . 98 Ser CB . 26534 1 640 . 1 1 56 56 SER N N 15 120.419 0.020 . 1 . . . . 98 Ser N . 26534 1 641 . 1 1 57 57 THR H H 1 7.336 0.002 . 1 . . . . 99 Thr H . 26534 1 642 . 1 1 57 57 THR HA H 1 4.238 0.006 . 1 . . . . 99 Thr HA . 26534 1 643 . 1 1 57 57 THR HB H 1 4.445 0.002 . 1 . . . . 99 Thr HB . 26534 1 644 . 1 1 57 57 THR HG21 H 1 1.192 0.003 . 1 . . . . 99 Thr HG21 . 26534 1 645 . 1 1 57 57 THR HG22 H 1 1.192 0.003 . 1 . . . . 99 Thr HG22 . 26534 1 646 . 1 1 57 57 THR HG23 H 1 1.192 0.003 . 1 . . . . 99 Thr HG23 . 26534 1 647 . 1 1 57 57 THR C C 13 174.876 0.000 . 1 . . . . 99 Thr C . 26534 1 648 . 1 1 57 57 THR CA C 13 60.840 0.094 . 1 . . . . 99 Thr CA . 26534 1 649 . 1 1 57 57 THR CB C 13 69.219 0.038 . 1 . . . . 99 Thr CB . 26534 1 650 . 1 1 57 57 THR CG2 C 13 22.802 0.039 . 1 . . . . 99 Thr CG2 . 26534 1 651 . 1 1 57 57 THR N N 15 107.579 0.006 . 1 . . . . 99 Thr N . 26534 1 652 . 1 1 58 58 VAL H H 1 7.023 0.001 . 1 . . . . 100 Val H . 26534 1 653 . 1 1 58 58 VAL HA H 1 3.828 0.005 . 1 . . . . 100 Val HA . 26534 1 654 . 1 1 58 58 VAL HB H 1 2.026 0.007 . 1 . . . . 100 Val HB . 26534 1 655 . 1 1 58 58 VAL HG11 H 1 0.812 0.006 . 1 . . . . 100 Val HG11 . 26534 1 656 . 1 1 58 58 VAL HG12 H 1 0.812 0.006 . 1 . . . . 100 Val HG12 . 26534 1 657 . 1 1 58 58 VAL HG13 H 1 0.812 0.006 . 1 . . . . 100 Val HG13 . 26534 1 658 . 1 1 58 58 VAL HG21 H 1 0.601 0.007 . 1 . . . . 100 Val HG21 . 26534 1 659 . 1 1 58 58 VAL HG22 H 1 0.601 0.007 . 1 . . . . 100 Val HG22 . 26534 1 660 . 1 1 58 58 VAL HG23 H 1 0.601 0.007 . 1 . . . . 100 Val HG23 . 26534 1 661 . 1 1 58 58 VAL C C 13 173.663 0.000 . 1 . . . . 100 Val C . 26534 1 662 . 1 1 58 58 VAL CA C 13 63.162 0.042 . 1 . . . . 100 Val CA . 26534 1 663 . 1 1 58 58 VAL CB C 13 33.250 0.060 . 1 . . . . 100 Val CB . 26534 1 664 . 1 1 58 58 VAL CG1 C 13 23.975 0.067 . 1 . . . . 100 Val CG1 . 26534 1 665 . 1 1 58 58 VAL CG2 C 13 22.477 0.036 . 1 . . . . 100 Val CG2 . 26534 1 666 . 1 1 58 58 VAL N N 15 122.166 0.019 . 1 . . . . 100 Val N . 26534 1 667 . 1 1 59 59 LYS H H 1 9.279 0.001 . 1 . . . . 101 Lys H . 26534 1 668 . 1 1 59 59 LYS HA H 1 4.275 0.004 . 1 . . . . 101 Lys HA . 26534 1 669 . 1 1 59 59 LYS HB2 H 1 1.729 0.001 . 1 . . . . 101 Lys HB2 . 26534 1 670 . 1 1 59 59 LYS HB3 H 1 1.439 0.001 . 1 . . . . 101 Lys HB3 . 26534 1 671 . 1 1 59 59 LYS HG2 H 1 1.377 0.000 . 1 . . . . 101 Lys HG2 . 26534 1 672 . 1 1 59 59 LYS HG3 H 1 1.272 0.000 . 1 . . . . 101 Lys HG3 . 26534 1 673 . 1 1 59 59 LYS HD3 H 1 1.681 0.005 . 1 . . . . 101 Lys HD3 . 26534 1 674 . 1 1 59 59 LYS HE3 H 1 2.987 0.002 . 1 . . . . 101 Lys HE3 . 26534 1 675 . 1 1 59 59 LYS C C 13 175.096 0.000 . 1 . . . . 101 Lys C . 26534 1 676 . 1 1 59 59 LYS CA C 13 57.537 0.100 . 1 . . . . 101 Lys CA . 26534 1 677 . 1 1 59 59 LYS CB C 13 34.335 0.013 . 1 . . . . 101 Lys CB . 26534 1 678 . 1 1 59 59 LYS CG C 13 24.972 0.015 . 1 . . . . 101 Lys CG . 26534 1 679 . 1 1 59 59 LYS CD C 13 29.208 0.011 . 1 . . . . 101 Lys CD . 26534 1 680 . 1 1 59 59 LYS CE C 13 42.092 0.000 . 1 . . . . 101 Lys CE . 26534 1 681 . 1 1 59 59 LYS N N 15 130.177 0.012 . 1 . . . . 101 Lys N . 26534 1 682 . 1 1 60 60 SER H H 1 7.669 0.002 . 1 . . . . 102 Ser H . 26534 1 683 . 1 1 60 60 SER HA H 1 4.589 0.005 . 1 . . . . 102 Ser HA . 26534 1 684 . 1 1 60 60 SER HB2 H 1 3.871 0.002 . 1 . . . . 102 Ser HB2 . 26534 1 685 . 1 1 60 60 SER HB3 H 1 3.870 0.002 . 1 . . . . 102 Ser HB3 . 26534 1 686 . 1 1 60 60 SER C C 13 177.010 0.000 . 1 . . . . 102 Ser C . 26534 1 687 . 1 1 60 60 SER CA C 13 57.637 0.095 . 1 . . . . 102 Ser CA . 26534 1 688 . 1 1 60 60 SER CB C 13 66.034 0.015 . 1 . . . . 102 Ser CB . 26534 1 689 . 1 1 60 60 SER N N 15 111.143 0.006 . 1 . . . . 102 Ser N . 26534 1 690 . 1 1 61 61 VAL H H 1 8.430 0.001 . 1 . . . . 103 Val H . 26534 1 691 . 1 1 61 61 VAL HA H 1 4.589 0.003 . 1 . . . . 103 Val HA . 26534 1 692 . 1 1 61 61 VAL HB H 1 1.566 0.002 . 1 . . . . 103 Val HB . 26534 1 693 . 1 1 61 61 VAL HG11 H 1 0.523 0.008 . 1 . . . . 103 Val HG11 . 26534 1 694 . 1 1 61 61 VAL HG12 H 1 0.523 0.008 . 1 . . . . 103 Val HG12 . 26534 1 695 . 1 1 61 61 VAL HG13 H 1 0.523 0.008 . 1 . . . . 103 Val HG13 . 26534 1 696 . 1 1 61 61 VAL HG21 H 1 0.485 0.003 . 1 . . . . 103 Val HG21 . 26534 1 697 . 1 1 61 61 VAL HG22 H 1 0.485 0.003 . 1 . . . . 103 Val HG22 . 26534 1 698 . 1 1 61 61 VAL HG23 H 1 0.485 0.003 . 1 . . . . 103 Val HG23 . 26534 1 699 . 1 1 61 61 VAL C C 13 171.505 0.000 . 1 . . . . 103 Val C . 26534 1 700 . 1 1 61 61 VAL CA C 13 62.010 0.140 . 1 . . . . 103 Val CA . 26534 1 701 . 1 1 61 61 VAL CB C 13 34.937 0.021 . 1 . . . . 103 Val CB . 26534 1 702 . 1 1 61 61 VAL CG1 C 13 23.091 0.028 . 1 . . . . 103 Val CG1 . 26534 1 703 . 1 1 61 61 VAL CG2 C 13 22.307 0.017 . 1 . . . . 103 Val CG2 . 26534 1 704 . 1 1 61 61 VAL N N 15 120.696 0.006 . 1 . . . . 103 Val N . 26534 1 705 . 1 1 62 62 THR H H 1 8.830 0.001 . 1 . . . . 104 Thr H . 26534 1 706 . 1 1 62 62 THR HA H 1 4.875 0.004 . 1 . . . . 104 Thr HA . 26534 1 707 . 1 1 62 62 THR HB H 1 4.016 0.002 . 1 . . . . 104 Thr HB . 26534 1 708 . 1 1 62 62 THR HG21 H 1 1.353 0.005 . 1 . . . . 104 Thr HG21 . 26534 1 709 . 1 1 62 62 THR HG22 H 1 1.353 0.005 . 1 . . . . 104 Thr HG22 . 26534 1 710 . 1 1 62 62 THR HG23 H 1 1.353 0.005 . 1 . . . . 104 Thr HG23 . 26534 1 711 . 1 1 62 62 THR C C 13 174.628 0.000 . 1 . . . . 104 Thr C . 26534 1 712 . 1 1 62 62 THR CA C 13 61.726 0.032 . 1 . . . . 104 Thr CA . 26534 1 713 . 1 1 62 62 THR CB C 13 71.721 0.030 . 1 . . . . 104 Thr CB . 26534 1 714 . 1 1 62 62 THR CG2 C 13 21.229 0.021 . 1 . . . . 104 Thr CG2 . 26534 1 715 . 1 1 62 62 THR N N 15 122.351 0.008 . 1 . . . . 104 Thr N . 26534 1 716 . 1 1 63 63 PHE H H 1 9.525 0.001 . 1 . . . . 105 Phe H . 26534 1 717 . 1 1 63 63 PHE HA H 1 4.888 0.007 . 1 . . . . 105 Phe HA . 26534 1 718 . 1 1 63 63 PHE HB2 H 1 3.310 0.003 . 1 . . . . 105 Phe HB2 . 26534 1 719 . 1 1 63 63 PHE HB3 H 1 3.019 0.002 . 1 . . . . 105 Phe HB3 . 26534 1 720 . 1 1 63 63 PHE HD1 H 1 6.820 0.008 . 1 . . . . 105 Phe HD1 . 26534 1 721 . 1 1 63 63 PHE HD2 H 1 6.820 0.008 . 1 . . . . 105 Phe HD2 . 26534 1 722 . 1 1 63 63 PHE HE1 H 1 7.089 0.008 . 1 . . . . 105 Phe HE1 . 26534 1 723 . 1 1 63 63 PHE HE2 H 1 7.089 0.008 . 1 . . . . 105 Phe HE2 . 26534 1 724 . 1 1 63 63 PHE HZ H 1 7.242 0.006 . 1 . . . . 105 Phe HZ . 26534 1 725 . 1 1 63 63 PHE C C 13 173.487 0.000 . 1 . . . . 105 Phe C . 26534 1 726 . 1 1 63 63 PHE CA C 13 58.423 0.089 . 1 . . . . 105 Phe CA . 26534 1 727 . 1 1 63 63 PHE CB C 13 40.289 0.090 . 1 . . . . 105 Phe CB . 26534 1 728 . 1 1 63 63 PHE CD1 C 13 132.582 0.000 . 1 . . . . 105 Phe CD1 . 26534 1 729 . 1 1 63 63 PHE CD2 C 13 132.582 0.000 . 1 . . . . 105 Phe CD2 . 26534 1 730 . 1 1 63 63 PHE CE1 C 13 131.033 0.024 . 1 . . . . 105 Phe CE1 . 26534 1 731 . 1 1 63 63 PHE CE2 C 13 131.033 0.024 . 1 . . . . 105 Phe CE2 . 26534 1 732 . 1 1 63 63 PHE CZ C 13 131.322 0.000 . 1 . . . . 105 Phe CZ . 26534 1 733 . 1 1 63 63 PHE N N 15 128.889 0.023 . 1 . . . . 105 Phe N . 26534 1 734 . 1 1 64 64 SER H H 1 8.748 0.001 . 1 . . . . 106 Ser H . 26534 1 735 . 1 1 64 64 SER HA H 1 4.493 0.007 . 1 . . . . 106 Ser HA . 26534 1 736 . 1 1 64 64 SER HB2 H 1 3.372 0.004 . 1 . . . . 106 Ser HB2 . 26534 1 737 . 1 1 64 64 SER HB3 H 1 3.372 0.003 . 1 . . . . 106 Ser HB3 . 26534 1 738 . 1 1 64 64 SER C C 13 174.668 0.000 . 1 . . . . 106 Ser C . 26534 1 739 . 1 1 64 64 SER CA C 13 56.196 0.052 . 1 . . . . 106 Ser CA . 26534 1 740 . 1 1 64 64 SER CB C 13 63.767 0.013 . 1 . . . . 106 Ser CB . 26534 1 741 . 1 1 64 64 SER N N 15 124.593 0.012 . 1 . . . . 106 Ser N . 26534 1 742 . 1 1 65 65 SER H H 1 8.630 0.001 . 1 . . . . 107 Ser H . 26534 1 743 . 1 1 65 65 SER HA H 1 4.072 0.008 . 1 . . . . 107 Ser HA . 26534 1 744 . 1 1 65 65 SER HB2 H 1 4.621 0.010 . 1 . . . . 107 Ser HB2 . 26534 1 745 . 1 1 65 65 SER HB3 H 1 4.178 0.001 . 1 . . . . 107 Ser HB3 . 26534 1 746 . 1 1 65 65 SER C C 13 173.355 0.000 . 1 . . . . 107 Ser C . 26534 1 747 . 1 1 65 65 SER CA C 13 57.661 0.134 . 1 . . . . 107 Ser CA . 26534 1 748 . 1 1 65 65 SER CB C 13 65.290 0.090 . 1 . . . . 107 Ser CB . 26534 1 749 . 1 1 65 65 SER N N 15 124.961 0.018 . 1 . . . . 107 Ser N . 26534 1 750 . 1 1 66 66 LYS H H 1 9.801 0.001 . 1 . . . . 108 Lys H . 26534 1 751 . 1 1 66 66 LYS HA H 1 3.957 0.004 . 1 . . . . 108 Lys HA . 26534 1 752 . 1 1 66 66 LYS HB2 H 1 1.643 0.000 . 1 . . . . 108 Lys HB2 . 26534 1 753 . 1 1 66 66 LYS HB3 H 1 1.508 0.000 . 1 . . . . 108 Lys HB3 . 26534 1 754 . 1 1 66 66 LYS HG2 H 1 1.613 0.001 . 1 . . . . 108 Lys HG2 . 26534 1 755 . 1 1 66 66 LYS HG3 H 1 1.131 0.003 . 1 . . . . 108 Lys HG3 . 26534 1 756 . 1 1 66 66 LYS HD3 H 1 1.612 0.003 . 1 . . . . 108 Lys HD3 . 26534 1 757 . 1 1 66 66 LYS HE3 H 1 3.013 0.001 . 1 . . . . 108 Lys HE3 . 26534 1 758 . 1 1 66 66 LYS C C 13 176.026 0.000 . 1 . . . . 108 Lys C . 26534 1 759 . 1 1 66 66 LYS CA C 13 59.204 0.086 . 1 . . . . 108 Lys CA . 26534 1 760 . 1 1 66 66 LYS CB C 13 30.974 0.029 . 1 . . . . 108 Lys CB . 26534 1 761 . 1 1 66 66 LYS CG C 13 23.554 0.022 . 1 . . . . 108 Lys CG . 26534 1 762 . 1 1 66 66 LYS CD C 13 29.300 0.081 . 1 . . . . 108 Lys CD . 26534 1 763 . 1 1 66 66 LYS CE C 13 41.827 0.000 . 1 . . . . 108 Lys CE . 26534 1 764 . 1 1 66 66 LYS N N 15 121.868 0.013 . 1 . . . . 108 Lys N . 26534 1 765 . 1 1 67 67 GLU H H 1 8.581 0.001 . 1 . . . . 109 Glu H . 26534 1 766 . 1 1 67 67 GLU HA H 1 3.982 0.005 . 1 . . . . 109 Glu HA . 26534 1 767 . 1 1 67 67 GLU HB2 H 1 2.220 0.007 . 1 . . . . 109 Glu HB2 . 26534 1 768 . 1 1 67 67 GLU HB3 H 1 2.008 0.003 . 1 . . . . 109 Glu HB3 . 26534 1 769 . 1 1 67 67 GLU HG2 H 1 2.578 0.003 . 1 . . . . 109 Glu HG2 . 26534 1 770 . 1 1 67 67 GLU HG3 H 1 2.235 0.003 . 1 . . . . 109 Glu HG3 . 26534 1 771 . 1 1 67 67 GLU C C 13 178.458 0.000 . 1 . . . . 109 Glu C . 26534 1 772 . 1 1 67 67 GLU CA C 13 61.119 0.048 . 1 . . . . 109 Glu CA . 26534 1 773 . 1 1 67 67 GLU CB C 13 28.351 0.037 . 1 . . . . 109 Glu CB . 26534 1 774 . 1 1 67 67 GLU CG C 13 37.460 0.047 . 1 . . . . 109 Glu CG . 26534 1 775 . 1 1 67 67 GLU N N 15 121.852 0.017 . 1 . . . . 109 Glu N . 26534 1 776 . 1 1 68 68 GLU H H 1 8.202 0.002 . 1 . . . . 110 Glu H . 26534 1 777 . 1 1 68 68 GLU HA H 1 4.140 0.004 . 1 . . . . 110 Glu HA . 26534 1 778 . 1 1 68 68 GLU HB2 H 1 2.208 0.001 . 1 . . . . 110 Glu HB2 . 26534 1 779 . 1 1 68 68 GLU HB3 H 1 2.209 0.001 . 1 . . . . 110 Glu HB3 . 26534 1 780 . 1 1 68 68 GLU HG2 H 1 2.316 0.001 . 1 . . . . 110 Glu HG2 . 26534 1 781 . 1 1 68 68 GLU HG3 H 1 2.226 0.006 . 1 . . . . 110 Glu HG3 . 26534 1 782 . 1 1 68 68 GLU C C 13 178.689 0.000 . 1 . . . . 110 Glu C . 26534 1 783 . 1 1 68 68 GLU CA C 13 58.872 0.115 . 1 . . . . 110 Glu CA . 26534 1 784 . 1 1 68 68 GLU CB C 13 29.664 0.024 . 1 . . . . 110 Glu CB . 26534 1 785 . 1 1 68 68 GLU CG C 13 37.341 0.038 . 1 . . . . 110 Glu CG . 26534 1 786 . 1 1 68 68 GLU N N 15 123.179 0.019 . 1 . . . . 110 Glu N . 26534 1 787 . 1 1 69 69 GLN H H 1 8.263 0.001 . 1 . . . . 111 Gln H . 26534 1 788 . 1 1 69 69 GLN HA H 1 3.927 0.001 . 1 . . . . 111 Gln HA . 26534 1 789 . 1 1 69 69 GLN HB2 H 1 2.197 0.001 . 1 . . . . 111 Gln HB2 . 26534 1 790 . 1 1 69 69 GLN HB3 H 1 2.016 0.001 . 1 . . . . 111 Gln HB3 . 26534 1 791 . 1 1 69 69 GLN HG2 H 1 2.425 0.002 . 1 . . . . 111 Gln HG2 . 26534 1 792 . 1 1 69 69 GLN HG3 H 1 2.127 0.001 . 1 . . . . 111 Gln HG3 . 26534 1 793 . 1 1 69 69 GLN C C 13 179.380 0.000 . 1 . . . . 111 Gln C . 26534 1 794 . 1 1 69 69 GLN CA C 13 58.931 0.023 . 1 . . . . 111 Gln CA . 26534 1 795 . 1 1 69 69 GLN CB C 13 30.993 0.036 . 1 . . . . 111 Gln CB . 26534 1 796 . 1 1 69 69 GLN CG C 13 34.999 0.018 . 1 . . . . 111 Gln CG . 26534 1 797 . 1 1 69 69 GLN N N 15 118.704 0.011 . 1 . . . . 111 Gln N . 26534 1 798 . 1 1 70 70 TYR H H 1 8.210 0.002 . 1 . . . . 112 Tyr H . 26534 1 799 . 1 1 70 70 TYR HA H 1 4.060 0.011 . 1 . . . . 112 Tyr HA . 26534 1 800 . 1 1 70 70 TYR HB2 H 1 3.190 0.008 . 1 . . . . 112 Tyr HB2 . 26534 1 801 . 1 1 70 70 TYR HB3 H 1 3.193 0.003 . 1 . . . . 112 Tyr HB3 . 26534 1 802 . 1 1 70 70 TYR HD1 H 1 7.054 0.004 . 1 . . . . 112 Tyr HD1 . 26534 1 803 . 1 1 70 70 TYR HD2 H 1 7.054 0.004 . 1 . . . . 112 Tyr HD2 . 26534 1 804 . 1 1 70 70 TYR HE1 H 1 6.760 0.005 . 1 . . . . 112 Tyr HE1 . 26534 1 805 . 1 1 70 70 TYR HE2 H 1 6.760 0.005 . 1 . . . . 112 Tyr HE2 . 26534 1 806 . 1 1 70 70 TYR C C 13 178.365 0.000 . 1 . . . . 112 Tyr C . 26534 1 807 . 1 1 70 70 TYR CA C 13 61.352 0.062 . 1 . . . . 112 Tyr CA . 26534 1 808 . 1 1 70 70 TYR CB C 13 38.628 0.038 . 1 . . . . 112 Tyr CB . 26534 1 809 . 1 1 70 70 TYR CD1 C 13 132.857 0.025 . 1 . . . . 112 Tyr CD1 . 26534 1 810 . 1 1 70 70 TYR CD2 C 13 132.857 0.025 . 1 . . . . 112 Tyr CD2 . 26534 1 811 . 1 1 70 70 TYR CE1 C 13 118.290 0.019 . 1 . . . . 112 Tyr CE1 . 26534 1 812 . 1 1 70 70 TYR CE2 C 13 118.290 0.019 . 1 . . . . 112 Tyr CE2 . 26534 1 813 . 1 1 70 70 TYR N N 15 120.448 0.013 . 1 . . . . 112 Tyr N . 26534 1 814 . 1 1 71 71 GLU H H 1 8.123 0.001 . 1 . . . . 113 Glu H . 26534 1 815 . 1 1 71 71 GLU HA H 1 3.954 0.003 . 1 . . . . 113 Glu HA . 26534 1 816 . 1 1 71 71 GLU HB2 H 1 2.202 0.001 . 1 . . . . 113 Glu HB2 . 26534 1 817 . 1 1 71 71 GLU HB3 H 1 2.170 0.010 . 1 . . . . 113 Glu HB3 . 26534 1 818 . 1 1 71 71 GLU HG2 H 1 2.470 0.001 . 1 . . . . 113 Glu HG2 . 26534 1 819 . 1 1 71 71 GLU HG3 H 1 2.323 0.001 . 1 . . . . 113 Glu HG3 . 26534 1 820 . 1 1 71 71 GLU C C 13 177.744 0.000 . 1 . . . . 113 Glu C . 26534 1 821 . 1 1 71 71 GLU CA C 13 59.404 0.019 . 1 . . . . 113 Glu CA . 26534 1 822 . 1 1 71 71 GLU CB C 13 29.510 0.019 . 1 . . . . 113 Glu CB . 26534 1 823 . 1 1 71 71 GLU CG C 13 36.257 0.018 . 1 . . . . 113 Glu CG . 26534 1 824 . 1 1 71 71 GLU N N 15 120.315 0.017 . 1 . . . . 113 Glu N . 26534 1 825 . 1 1 72 72 LYS H H 1 7.883 0.001 . 1 . . . . 114 Lys H . 26534 1 826 . 1 1 72 72 LYS HA H 1 4.134 0.000 . 1 . . . . 114 Lys HA . 26534 1 827 . 1 1 72 72 LYS HB3 H 1 1.879 0.001 . 1 . . . . 114 Lys HB3 . 26534 1 828 . 1 1 72 72 LYS HG3 H 1 1.522 0.002 . 1 . . . . 114 Lys HG3 . 26534 1 829 . 1 1 72 72 LYS HD3 H 1 1.664 0.001 . 1 . . . . 114 Lys HD3 . 26534 1 830 . 1 1 72 72 LYS HE3 H 1 2.919 0.003 . 1 . . . . 114 Lys HE3 . 26534 1 831 . 1 1 72 72 LYS C C 13 179.054 0.000 . 1 . . . . 114 Lys C . 26534 1 832 . 1 1 72 72 LYS CA C 13 58.217 0.031 . 1 . . . . 114 Lys CA . 26534 1 833 . 1 1 72 72 LYS CB C 13 31.923 0.012 . 1 . . . . 114 Lys CB . 26534 1 834 . 1 1 72 72 LYS CG C 13 25.004 0.027 . 1 . . . . 114 Lys CG . 26534 1 835 . 1 1 72 72 LYS CD C 13 28.389 0.041 . 1 . . . . 114 Lys CD . 26534 1 836 . 1 1 72 72 LYS CE C 13 41.908 0.064 . 1 . . . . 114 Lys CE . 26534 1 837 . 1 1 72 72 LYS N N 15 118.795 0.010 . 1 . . . . 114 Lys N . 26534 1 838 . 1 1 73 73 LEU H H 1 7.967 0.001 . 1 . . . . 115 Leu H . 26534 1 839 . 1 1 73 73 LEU HA H 1 3.980 0.003 . 1 . . . . 115 Leu HA . 26534 1 840 . 1 1 73 73 LEU HB2 H 1 1.585 0.006 . 1 . . . . 115 Leu HB2 . 26534 1 841 . 1 1 73 73 LEU HB3 H 1 1.166 0.004 . 1 . . . . 115 Leu HB3 . 26534 1 842 . 1 1 73 73 LEU HG H 1 1.548 0.007 . 1 . . . . 115 Leu HG . 26534 1 843 . 1 1 73 73 LEU HD11 H 1 0.740 0.002 . 1 . . . . 115 Leu HD11 . 26534 1 844 . 1 1 73 73 LEU HD12 H 1 0.740 0.002 . 1 . . . . 115 Leu HD12 . 26534 1 845 . 1 1 73 73 LEU HD13 H 1 0.740 0.002 . 1 . . . . 115 Leu HD13 . 26534 1 846 . 1 1 73 73 LEU HD21 H 1 0.712 0.005 . 1 . . . . 115 Leu HD21 . 26534 1 847 . 1 1 73 73 LEU HD22 H 1 0.712 0.005 . 1 . . . . 115 Leu HD22 . 26534 1 848 . 1 1 73 73 LEU HD23 H 1 0.712 0.005 . 1 . . . . 115 Leu HD23 . 26534 1 849 . 1 1 73 73 LEU C C 13 178.744 0.000 . 1 . . . . 115 Leu C . 26534 1 850 . 1 1 73 73 LEU CA C 13 57.472 0.061 . 1 . . . . 115 Leu CA . 26534 1 851 . 1 1 73 73 LEU CB C 13 41.789 0.025 . 1 . . . . 115 Leu CB . 26534 1 852 . 1 1 73 73 LEU CG C 13 26.999 0.046 . 1 . . . . 115 Leu CG . 26534 1 853 . 1 1 73 73 LEU CD1 C 13 25.036 0.027 . 1 . . . . 115 Leu CD1 . 26534 1 854 . 1 1 73 73 LEU CD2 C 13 23.801 0.013 . 1 . . . . 115 Leu CD2 . 26534 1 855 . 1 1 73 73 LEU N N 15 119.856 0.010 . 1 . . . . 115 Leu N . 26534 1 856 . 1 1 74 74 THR H H 1 7.911 0.001 . 1 . . . . 116 Thr H . 26534 1 857 . 1 1 74 74 THR HA H 1 3.912 0.001 . 1 . . . . 116 Thr HA . 26534 1 858 . 1 1 74 74 THR HB H 1 4.110 0.002 . 1 . . . . 116 Thr HB . 26534 1 859 . 1 1 74 74 THR HG21 H 1 0.988 0.001 . 1 . . . . 116 Thr HG21 . 26534 1 860 . 1 1 74 74 THR HG22 H 1 0.988 0.001 . 1 . . . . 116 Thr HG22 . 26534 1 861 . 1 1 74 74 THR HG23 H 1 0.988 0.001 . 1 . . . . 116 Thr HG23 . 26534 1 862 . 1 1 74 74 THR C C 13 178.849 0.000 . 1 . . . . 116 Thr C . 26534 1 863 . 1 1 74 74 THR CA C 13 65.216 0.060 . 1 . . . . 116 Thr CA . 26534 1 864 . 1 1 74 74 THR CB C 13 68.817 0.065 . 1 . . . . 116 Thr CB . 26534 1 865 . 1 1 74 74 THR CG2 C 13 21.355 0.043 . 1 . . . . 116 Thr CG2 . 26534 1 866 . 1 1 74 74 THR N N 15 112.773 0.006 . 1 . . . . 116 Thr N . 26534 1 867 . 1 1 75 75 GLU H H 1 7.651 0.002 . 1 . . . . 117 Glu H . 26534 1 868 . 1 1 75 75 GLU HA H 1 4.062 0.001 . 1 . . . . 117 Glu HA . 26534 1 869 . 1 1 75 75 GLU HB3 H 1 2.160 0.003 . 1 . . . . 117 Glu HB3 . 26534 1 870 . 1 1 75 75 GLU HG3 H 1 2.359 0.002 . 1 . . . . 117 Glu HG3 . 26534 1 871 . 1 1 75 75 GLU C C 13 176.671 0.000 . 1 . . . . 117 Glu C . 26534 1 872 . 1 1 75 75 GLU CA C 13 58.861 0.019 . 1 . . . . 117 Glu CA . 26534 1 873 . 1 1 75 75 GLU CB C 13 29.847 0.022 . 1 . . . . 117 Glu CB . 26534 1 874 . 1 1 75 75 GLU CG C 13 36.155 0.000 . 1 . . . . 117 Glu CG . 26534 1 875 . 1 1 75 75 GLU N N 15 121.836 0.009 . 1 . . . . 117 Glu N . 26534 1 876 . 1 1 76 76 ILE H H 1 7.586 0.001 . 1 . . . . 118 Ile H . 26534 1 877 . 1 1 76 76 ILE HA H 1 4.045 0.006 . 1 . . . . 118 Ile HA . 26534 1 878 . 1 1 76 76 ILE HB H 1 1.839 0.004 . 1 . . . . 118 Ile HB . 26534 1 879 . 1 1 76 76 ILE HG12 H 1 1.541 0.003 . 1 . . . . 118 Ile HG12 . 26534 1 880 . 1 1 76 76 ILE HG13 H 1 1.221 0.004 . 1 . . . . 118 Ile HG13 . 26534 1 881 . 1 1 76 76 ILE HG21 H 1 0.885 0.006 . 1 . . . . 118 Ile HG21 . 26534 1 882 . 1 1 76 76 ILE HG22 H 1 0.885 0.006 . 1 . . . . 118 Ile HG22 . 26534 1 883 . 1 1 76 76 ILE HG23 H 1 0.885 0.006 . 1 . . . . 118 Ile HG23 . 26534 1 884 . 1 1 76 76 ILE HD11 H 1 0.820 0.002 . 1 . . . . 118 Ile HD11 . 26534 1 885 . 1 1 76 76 ILE HD12 H 1 0.820 0.002 . 1 . . . . 118 Ile HD12 . 26534 1 886 . 1 1 76 76 ILE HD13 H 1 0.820 0.002 . 1 . . . . 118 Ile HD13 . 26534 1 887 . 1 1 76 76 ILE C C 13 177.994 0.000 . 1 . . . . 118 Ile C . 26534 1 888 . 1 1 76 76 ILE CA C 13 62.692 0.062 . 1 . . . . 118 Ile CA . 26534 1 889 . 1 1 76 76 ILE CB C 13 38.984 0.041 . 1 . . . . 118 Ile CB . 26534 1 890 . 1 1 76 76 ILE CG1 C 13 27.987 0.021 . 1 . . . . 118 Ile CG1 . 26534 1 891 . 1 1 76 76 ILE CG2 C 13 17.555 0.050 . 1 . . . . 118 Ile CG2 . 26534 1 892 . 1 1 76 76 ILE CD1 C 13 13.707 0.040 . 1 . . . . 118 Ile CD1 . 26534 1 893 . 1 1 76 76 ILE N N 15 116.291 0.014 . 1 . . . . 118 Ile N . 26534 1 894 . 1 1 77 77 MET H H 1 8.231 0.001 . 1 . . . . 119 Met H . 26534 1 895 . 1 1 77 77 MET HA H 1 4.430 0.001 . 1 . . . . 119 Met HA . 26534 1 896 . 1 1 77 77 MET HB3 H 1 1.871 0.007 . 1 . . . . 119 Met HB3 . 26534 1 897 . 1 1 77 77 MET HG2 H 1 2.334 0.003 . 1 . . . . 119 Met HG2 . 26534 1 898 . 1 1 77 77 MET HG3 H 1 2.050 0.004 . 1 . . . . 119 Met HG3 . 26534 1 899 . 1 1 77 77 MET HE1 H 1 1.823 0.009 . 1 . . . . 119 Met HE1 . 26534 1 900 . 1 1 77 77 MET HE2 H 1 1.823 0.009 . 1 . . . . 119 Met HE2 . 26534 1 901 . 1 1 77 77 MET HE3 H 1 1.823 0.009 . 1 . . . . 119 Met HE3 . 26534 1 902 . 1 1 77 77 MET C C 13 177.515 0.000 . 1 . . . . 119 Met C . 26534 1 903 . 1 1 77 77 MET CA C 13 55.600 0.095 . 1 . . . . 119 Met CA . 26534 1 904 . 1 1 77 77 MET CB C 13 32.903 0.039 . 1 . . . . 119 Met CB . 26534 1 905 . 1 1 77 77 MET CG C 13 32.328 0.019 . 1 . . . . 119 Met CG . 26534 1 906 . 1 1 77 77 MET CE C 13 16.727 0.009 . 1 . . . . 119 Met CE . 26534 1 907 . 1 1 77 77 MET N N 15 118.202 0.010 . 1 . . . . 119 Met N . 26534 1 908 . 1 1 78 78 GLY H H 1 7.956 0.001 . 1 . . . . 120 Gly H . 26534 1 909 . 1 1 78 78 GLY HA2 H 1 4.146 0.002 . 1 . . . . 120 Gly HA2 . 26534 1 910 . 1 1 78 78 GLY HA3 H 1 3.929 0.003 . 1 . . . . 120 Gly HA3 . 26534 1 911 . 1 1 78 78 GLY C C 13 177.510 0.000 . 1 . . . . 120 Gly C . 26534 1 912 . 1 1 78 78 GLY CA C 13 45.662 0.007 . 1 . . . . 120 Gly CA . 26534 1 913 . 1 1 78 78 GLY N N 15 108.937 0.007 . 1 . . . . 120 Gly N . 26534 1 914 . 1 1 79 79 ASP H H 1 8.490 0.001 . 1 . . . . 121 Asp H . 26534 1 915 . 1 1 79 79 ASP HA H 1 4.544 0.001 . 1 . . . . 121 Asp HA . 26534 1 916 . 1 1 79 79 ASP HB2 H 1 2.699 0.001 . 1 . . . . 121 Asp HB2 . 26534 1 917 . 1 1 79 79 ASP HB3 H 1 2.629 0.001 . 1 . . . . 121 Asp HB3 . 26534 1 918 . 1 1 79 79 ASP C C 13 174.461 0.000 . 1 . . . . 121 Asp C . 26534 1 919 . 1 1 79 79 ASP CA C 13 55.501 0.032 . 1 . . . . 121 Asp CA . 26534 1 920 . 1 1 79 79 ASP CB C 13 41.049 0.028 . 1 . . . . 121 Asp CB . 26534 1 921 . 1 1 79 79 ASP N N 15 120.348 0.015 . 1 . . . . 121 Asp N . 26534 1 922 . 1 1 80 80 ASN H H 1 8.422 0.001 . 1 . . . . 122 Asn H . 26534 1 923 . 1 1 80 80 ASN HA H 1 4.652 0.003 . 1 . . . . 122 Asn HA . 26534 1 924 . 1 1 80 80 ASN HB3 H 1 2.853 0.008 . 1 . . . . 122 Asn HB3 . 26534 1 925 . 1 1 80 80 ASN C C 13 177.110 0.000 . 1 . . . . 122 Asn C . 26534 1 926 . 1 1 80 80 ASN CA C 13 54.026 0.066 . 1 . . . . 122 Asn CA . 26534 1 927 . 1 1 80 80 ASN CB C 13 38.223 0.116 . 1 . . . . 122 Asn CB . 26534 1 928 . 1 1 80 80 ASN N N 15 117.091 0.008 . 1 . . . . 122 Asn N . 26534 1 929 . 1 1 81 81 TRP H H 1 7.738 0.001 . 1 . . . . 123 Trp H . 26534 1 930 . 1 1 81 81 TRP HA H 1 4.522 0.003 . 1 . . . . 123 Trp HA . 26534 1 931 . 1 1 81 81 TRP HB2 H 1 3.260 0.003 . 1 . . . . 123 Trp HB2 . 26534 1 932 . 1 1 81 81 TRP HB3 H 1 3.261 0.001 . 1 . . . . 123 Trp HB3 . 26534 1 933 . 1 1 81 81 TRP HD1 H 1 7.236 0.006 . 1 . . . . 123 Trp HD1 . 26534 1 934 . 1 1 81 81 TRP HE1 H 1 9.856 0.001 . 1 . . . . 123 Trp HE1 . 26534 1 935 . 1 1 81 81 TRP HE3 H 1 7.481 0.003 . 1 . . . . 123 Trp HE3 . 26534 1 936 . 1 1 81 81 TRP HZ2 H 1 7.264 0.002 . 1 . . . . 123 Trp HZ2 . 26534 1 937 . 1 1 81 81 TRP HZ3 H 1 6.959 0.015 . 1 . . . . 123 Trp HZ3 . 26534 1 938 . 1 1 81 81 TRP HH2 H 1 7.051 0.003 . 1 . . . . 123 Trp HH2 . 26534 1 939 . 1 1 81 81 TRP C C 13 175.214 0.000 . 1 . . . . 123 Trp C . 26534 1 940 . 1 1 81 81 TRP CA C 13 58.044 0.054 . 1 . . . . 123 Trp CA . 26534 1 941 . 1 1 81 81 TRP CB C 13 29.408 0.025 . 1 . . . . 123 Trp CB . 26534 1 942 . 1 1 81 81 TRP CD1 C 13 126.691 0.009 . 1 . . . . 123 Trp CD1 . 26534 1 943 . 1 1 81 81 TRP CE3 C 13 120.877 0.018 . 1 . . . . 123 Trp CE3 . 26534 1 944 . 1 1 81 81 TRP CZ2 C 13 114.434 0.020 . 1 . . . . 123 Trp CZ2 . 26534 1 945 . 1 1 81 81 TRP CZ3 C 13 121.765 0.019 . 1 . . . . 123 Trp CZ3 . 26534 1 946 . 1 1 81 81 TRP CH2 C 13 124.392 0.007 . 1 . . . . 123 Trp CH2 . 26534 1 947 . 1 1 81 81 TRP N N 15 120.177 0.003 . 1 . . . . 123 Trp N . 26534 1 948 . 1 1 81 81 TRP NE1 N 15 129.200 0.013 . 1 . . . . 123 Trp NE1 . 26534 1 949 . 1 1 82 82 LYS H H 1 7.592 0.001 . 1 . . . . 124 Lys H . 26534 1 950 . 1 1 82 82 LYS HA H 1 3.937 0.002 . 1 . . . . 124 Lys HA . 26534 1 951 . 1 1 82 82 LYS HB2 H 1 1.537 0.001 . 1 . . . . 124 Lys HB2 . 26534 1 952 . 1 1 82 82 LYS HB3 H 1 1.464 0.001 . 1 . . . . 124 Lys HB3 . 26534 1 953 . 1 1 82 82 LYS HG3 H 1 0.972 0.001 . 1 . . . . 124 Lys HG3 . 26534 1 954 . 1 1 82 82 LYS HD3 H 1 1.513 0.005 . 1 . . . . 124 Lys HD3 . 26534 1 955 . 1 1 82 82 LYS HE3 H 1 2.862 0.002 . 1 . . . . 124 Lys HE3 . 26534 1 956 . 1 1 82 82 LYS C C 13 176.176 0.000 . 1 . . . . 124 Lys C . 26534 1 957 . 1 1 82 82 LYS CA C 13 56.810 0.034 . 1 . . . . 124 Lys CA . 26534 1 958 . 1 1 82 82 LYS CB C 13 32.546 0.048 . 1 . . . . 124 Lys CB . 26534 1 959 . 1 1 82 82 LYS CG C 13 24.405 0.025 . 1 . . . . 124 Lys CG . 26534 1 960 . 1 1 82 82 LYS CD C 13 28.882 0.023 . 1 . . . . 124 Lys CD . 26534 1 961 . 1 1 82 82 LYS CE C 13 41.882 0.011 . 1 . . . . 124 Lys CE . 26534 1 962 . 1 1 82 82 LYS N N 15 121.705 0.008 . 1 . . . . 124 Lys N . 26534 1 963 . 1 1 83 83 ILE H H 1 7.550 0.001 . 1 . . . . 125 Ile H . 26534 1 964 . 1 1 83 83 ILE HA H 1 3.918 0.003 . 1 . . . . 125 Ile HA . 26534 1 965 . 1 1 83 83 ILE HB H 1 1.643 0.003 . 1 . . . . 125 Ile HB . 26534 1 966 . 1 1 83 83 ILE HG12 H 1 1.135 0.002 . 1 . . . . 125 Ile HG12 . 26534 1 967 . 1 1 83 83 ILE HG13 H 1 0.960 0.005 . 1 . . . . 125 Ile HG13 . 26534 1 968 . 1 1 83 83 ILE HG21 H 1 0.611 0.006 . 1 . . . . 125 Ile HG21 . 26534 1 969 . 1 1 83 83 ILE HG22 H 1 0.611 0.006 . 1 . . . . 125 Ile HG22 . 26534 1 970 . 1 1 83 83 ILE HG23 H 1 0.611 0.006 . 1 . . . . 125 Ile HG23 . 26534 1 971 . 1 1 83 83 ILE HD11 H 1 0.711 0.002 . 1 . . . . 125 Ile HD11 . 26534 1 972 . 1 1 83 83 ILE HD12 H 1 0.711 0.002 . 1 . . . . 125 Ile HD12 . 26534 1 973 . 1 1 83 83 ILE HD13 H 1 0.711 0.002 . 1 . . . . 125 Ile HD13 . 26534 1 974 . 1 1 83 83 ILE C C 13 176.398 0.000 . 1 . . . . 125 Ile C . 26534 1 975 . 1 1 83 83 ILE CA C 13 61.782 0.016 . 1 . . . . 125 Ile CA . 26534 1 976 . 1 1 83 83 ILE CB C 13 38.285 0.084 . 1 . . . . 125 Ile CB . 26534 1 977 . 1 1 83 83 ILE CG1 C 13 27.241 0.016 . 1 . . . . 125 Ile CG1 . 26534 1 978 . 1 1 83 83 ILE CG2 C 13 17.312 0.057 . 1 . . . . 125 Ile CG2 . 26534 1 979 . 1 1 83 83 ILE CD1 C 13 13.172 0.014 . 1 . . . . 125 Ile CD1 . 26534 1 980 . 1 1 83 83 ILE N N 15 119.009 0.007 . 1 . . . . 125 Ile N . 26534 1 981 . 1 1 84 84 PHE H H 1 7.844 0.001 . 1 . . . . 126 Phe H . 26534 1 982 . 1 1 84 84 PHE HA H 1 4.627 0.009 . 1 . . . . 126 Phe HA . 26534 1 983 . 1 1 84 84 PHE HB2 H 1 3.178 0.009 . 1 . . . . 126 Phe HB2 . 26534 1 984 . 1 1 84 84 PHE HB3 H 1 2.905 0.006 . 1 . . . . 126 Phe HB3 . 26534 1 985 . 1 1 84 84 PHE HD1 H 1 7.220 0.008 . 1 . . . . 126 Phe HD1 . 26534 1 986 . 1 1 84 84 PHE HD2 H 1 7.220 0.008 . 1 . . . . 126 Phe HD2 . 26534 1 987 . 1 1 84 84 PHE HE1 H 1 7.190 0.009 . 1 . . . . 126 Phe HE1 . 26534 1 988 . 1 1 84 84 PHE HE2 H 1 7.190 0.009 . 1 . . . . 126 Phe HE2 . 26534 1 989 . 1 1 84 84 PHE C C 13 176.030 0.000 . 1 . . . . 126 Phe C . 26534 1 990 . 1 1 84 84 PHE CA C 13 57.323 0.056 . 1 . . . . 126 Phe CA . 26534 1 991 . 1 1 84 84 PHE CB C 13 39.464 0.064 . 1 . . . . 126 Phe CB . 26534 1 992 . 1 1 84 84 PHE CD1 C 13 131.712 0.091 . 1 . . . . 126 Phe CD1 . 26534 1 993 . 1 1 84 84 PHE CD2 C 13 131.712 0.091 . 1 . . . . 126 Phe CD2 . 26534 1 994 . 1 1 84 84 PHE CE1 C 13 129.682 0.049 . 1 . . . . 126 Phe CE1 . 26534 1 995 . 1 1 84 84 PHE CE2 C 13 129.682 0.049 . 1 . . . . 126 Phe CE2 . 26534 1 996 . 1 1 84 84 PHE N N 15 121.372 0.014 . 1 . . . . 126 Phe N . 26534 1 997 . 1 1 85 85 GLU H H 1 8.129 0.001 . 1 . . . . 127 Glu H . 26534 1 998 . 1 1 85 85 GLU HA H 1 4.158 0.004 . 1 . . . . 127 Glu HA . 26534 1 999 . 1 1 85 85 GLU HB2 H 1 1.974 0.004 . 1 . . . . 127 Glu HB2 . 26534 1 1000 . 1 1 85 85 GLU HB3 H 1 1.857 0.001 . 1 . . . . 127 Glu HB3 . 26534 1 1001 . 1 1 85 85 GLU HG2 H 1 2.187 0.002 . 1 . . . . 127 Glu HG2 . 26534 1 1002 . 1 1 85 85 GLU HG3 H 1 2.187 0.002 . 1 . . . . 127 Glu HG3 . 26534 1 1003 . 1 1 85 85 GLU C C 13 175.570 0.000 . 1 . . . . 127 Glu C . 26534 1 1004 . 1 1 85 85 GLU CA C 13 56.916 0.040 . 1 . . . . 127 Glu CA . 26534 1 1005 . 1 1 85 85 GLU CB C 13 30.125 0.053 . 1 . . . . 127 Glu CB . 26534 1 1006 . 1 1 85 85 GLU CG C 13 36.169 0.034 . 1 . . . . 127 Glu CG . 26534 1 1007 . 1 1 85 85 GLU N N 15 121.349 0.012 . 1 . . . . 127 Glu N . 26534 1 1008 . 1 1 86 86 GLY H H 1 8.189 0.005 . 1 . . . . 128 Gly H . 26534 1 1009 . 1 1 86 86 GLY HA2 H 1 3.945 0.010 . 1 . . . . 128 Gly HA2 . 26534 1 1010 . 1 1 86 86 GLY HA3 H 1 3.821 0.004 . 1 . . . . 128 Gly HA3 . 26534 1 1011 . 1 1 86 86 GLY C C 13 176.985 0.000 . 1 . . . . 128 Gly C . 26534 1 1012 . 1 1 86 86 GLY CA C 13 45.624 0.049 . 1 . . . . 128 Gly CA . 26534 1 1013 . 1 1 86 86 GLY N N 15 110.257 0.021 . 1 . . . . 128 Gly N . 26534 1 1014 . 1 1 87 87 ASP H H 1 8.203 0.001 . 1 . . . . 129 Asp H . 26534 1 1015 . 1 1 87 87 ASP HA H 1 4.589 0.006 . 1 . . . . 129 Asp HA . 26534 1 1016 . 1 1 87 87 ASP HB2 H 1 2.709 0.001 . 1 . . . . 129 Asp HB2 . 26534 1 1017 . 1 1 87 87 ASP HB3 H 1 2.642 0.001 . 1 . . . . 129 Asp HB3 . 26534 1 1018 . 1 1 87 87 ASP C C 13 174.254 0.000 . 1 . . . . 129 Asp C . 26534 1 1019 . 1 1 87 87 ASP CA C 13 54.461 0.045 . 1 . . . . 129 Asp CA . 26534 1 1020 . 1 1 87 87 ASP CB C 13 41.089 0.063 . 1 . . . . 129 Asp CB . 26534 1 1021 . 1 1 87 87 ASP N N 15 120.664 0.008 . 1 . . . . 129 Asp N . 26534 1 1022 . 1 1 88 88 ALA H H 1 7.961 0.002 . 1 . . . . 130 Ala H . 26534 1 1023 . 1 1 88 88 ALA HA H 1 4.255 0.007 . 1 . . . . 130 Ala HA . 26534 1 1024 . 1 1 88 88 ALA HB1 H 1 1.326 0.005 . 1 . . . . 130 Ala HB1 . 26534 1 1025 . 1 1 88 88 ALA HB2 H 1 1.326 0.005 . 1 . . . . 130 Ala HB2 . 26534 1 1026 . 1 1 88 88 ALA HB3 H 1 1.326 0.005 . 1 . . . . 130 Ala HB3 . 26534 1 1027 . 1 1 88 88 ALA C C 13 175.956 0.000 . 1 . . . . 130 Ala C . 26534 1 1028 . 1 1 88 88 ALA CA C 13 52.047 0.100 . 1 . . . . 130 Ala CA . 26534 1 1029 . 1 1 88 88 ALA CB C 13 19.301 0.075 . 1 . . . . 130 Ala CB . 26534 1 1030 . 1 1 88 88 ALA N N 15 122.796 0.008 . 1 . . . . 130 Ala N . 26534 1 1031 . 1 1 89 89 ASN H H 1 8.114 0.001 . 1 . . . . 131 Asn H . 26534 1 1032 . 1 1 89 89 ASN HA H 1 4.567 0.011 . 1 . . . . 131 Asn HA . 26534 1 1033 . 1 1 89 89 ASN HB2 H 1 2.709 0.003 . 1 . . . . 131 Asn HB2 . 26534 1 1034 . 1 1 89 89 ASN HB3 H 1 2.504 0.002 . 1 . . . . 131 Asn HB3 . 26534 1 1035 . 1 1 89 89 ASN C C 13 176.805 0.000 . 1 . . . . 131 Asn C . 26534 1 1036 . 1 1 89 89 ASN CA C 13 50.891 0.073 . 1 . . . . 131 Asn CA . 26534 1 1037 . 1 1 89 89 ASN CB C 13 38.772 0.038 . 1 . . . . 131 Asn CB . 26534 1 1038 . 1 1 89 89 ASN N N 15 118.851 0.008 . 1 . . . . 131 Asn N . 26534 1 1039 . 1 1 90 90 PRO HA H 1 4.426 0.005 . 1 . . . . 132 Pro HA . 26534 1 1040 . 1 1 90 90 PRO HB2 H 1 2.059 0.003 . 1 . . . . 132 Pro HB2 . 26534 1 1041 . 1 1 90 90 PRO HB3 H 1 1.864 0.001 . 1 . . . . 132 Pro HB3 . 26534 1 1042 . 1 1 90 90 PRO HG2 H 1 1.858 0.003 . 1 . . . . 132 Pro HG2 . 26534 1 1043 . 1 1 90 90 PRO HG3 H 1 1.742 0.001 . 1 . . . . 132 Pro HG3 . 26534 1 1044 . 1 1 90 90 PRO HD2 H 1 3.724 0.005 . 1 . . . . 132 Pro HD2 . 26534 1 1045 . 1 1 90 90 PRO HD3 H 1 3.503 0.006 . 1 . . . . 132 Pro HD3 . 26534 1 1046 . 1 1 90 90 PRO CA C 13 63.188 0.031 . 1 . . . . 132 Pro CA . 26534 1 1047 . 1 1 90 90 PRO CB C 13 32.136 0.024 . 1 . . . . 132 Pro CB . 26534 1 1048 . 1 1 90 90 PRO CG C 13 26.454 0.025 . 1 . . . . 132 Pro CG . 26534 1 1049 . 1 1 90 90 PRO CD C 13 50.136 0.030 . 1 . . . . 132 Pro CD . 26534 1 1050 . 1 1 91 91 LEU H H 1 7.959 0.001 . 1 . . . . 133 Leu H . 26534 1 1051 . 1 1 91 91 LEU HA H 1 4.295 0.003 . 1 . . . . 133 Leu HA . 26534 1 1052 . 1 1 91 91 LEU HB2 H 1 1.674 0.005 . 1 . . . . 133 Leu HB2 . 26534 1 1053 . 1 1 91 91 LEU HB3 H 1 1.394 0.005 . 1 . . . . 133 Leu HB3 . 26534 1 1054 . 1 1 91 91 LEU HD11 H 1 0.951 0.003 . 1 . . . . 133 Leu HD11 . 26534 1 1055 . 1 1 91 91 LEU HD12 H 1 0.951 0.003 . 1 . . . . 133 Leu HD12 . 26534 1 1056 . 1 1 91 91 LEU HD13 H 1 0.951 0.003 . 1 . . . . 133 Leu HD13 . 26534 1 1057 . 1 1 91 91 LEU HD21 H 1 0.846 0.001 . 1 . . . . 133 Leu HD21 . 26534 1 1058 . 1 1 91 91 LEU HD22 H 1 0.846 0.001 . 1 . . . . 133 Leu HD22 . 26534 1 1059 . 1 1 91 91 LEU HD23 H 1 0.846 0.001 . 1 . . . . 133 Leu HD23 . 26534 1 1060 . 1 1 91 91 LEU C C 13 176.177 0.000 . 1 . . . . 133 Leu C . 26534 1 1061 . 1 1 91 91 LEU CA C 13 54.497 0.064 . 1 . . . . 133 Leu CA . 26534 1 1062 . 1 1 91 91 LEU CB C 13 42.084 0.103 . 1 . . . . 133 Leu CB . 26534 1 1063 . 1 1 91 91 LEU CG C 13 27.309 0.000 . 1 . . . . 133 Leu CG . 26534 1 1064 . 1 1 91 91 LEU CD1 C 13 25.837 0.021 . 1 . . . . 133 Leu CD1 . 26534 1 1065 . 1 1 91 91 LEU CD2 C 13 22.617 0.043 . 1 . . . . 133 Leu CD2 . 26534 1 1066 . 1 1 91 91 LEU N N 15 121.591 0.024 . 1 . . . . 133 Leu N . 26534 1 1067 . 1 1 92 92 TYR H H 1 8.493 0.002 . 1 . . . . 134 Tyr H . 26534 1 1068 . 1 1 92 92 TYR HA H 1 4.808 0.006 . 1 . . . . 134 Tyr HA . 26534 1 1069 . 1 1 92 92 TYR HB2 H 1 3.761 0.006 . 1 . . . . 134 Tyr HB2 . 26534 1 1070 . 1 1 92 92 TYR HB3 H 1 2.792 0.007 . 1 . . . . 134 Tyr HB3 . 26534 1 1071 . 1 1 92 92 TYR HD1 H 1 7.249 0.003 . 1 . . . . 134 Tyr HD1 . 26534 1 1072 . 1 1 92 92 TYR HD2 H 1 7.249 0.003 . 1 . . . . 134 Tyr HD2 . 26534 1 1073 . 1 1 92 92 TYR HE1 H 1 6.808 0.005 . 1 . . . . 134 Tyr HE1 . 26534 1 1074 . 1 1 92 92 TYR HE2 H 1 6.808 0.005 . 1 . . . . 134 Tyr HE2 . 26534 1 1075 . 1 1 92 92 TYR C C 13 175.020 0.000 . 1 . . . . 134 Tyr C . 26534 1 1076 . 1 1 92 92 TYR CA C 13 56.258 0.047 . 1 . . . . 134 Tyr CA . 26534 1 1077 . 1 1 92 92 TYR CB C 13 40.678 0.065 . 1 . . . . 134 Tyr CB . 26534 1 1078 . 1 1 92 92 TYR CD1 C 13 133.869 0.030 . 1 . . . . 134 Tyr CD1 . 26534 1 1079 . 1 1 92 92 TYR CD2 C 13 133.869 0.030 . 1 . . . . 134 Tyr CD2 . 26534 1 1080 . 1 1 92 92 TYR CE1 C 13 117.744 0.027 . 1 . . . . 134 Tyr CE1 . 26534 1 1081 . 1 1 92 92 TYR CE2 C 13 117.744 0.027 . 1 . . . . 134 Tyr CE2 . 26534 1 1082 . 1 1 92 92 TYR N N 15 118.643 0.012 . 1 . . . . 134 Tyr N . 26534 1 1083 . 1 1 93 93 ASP H H 1 9.380 0.001 . 1 . . . . 135 Asp H . 26534 1 1084 . 1 1 93 93 ASP HA H 1 4.371 0.004 . 1 . . . . 135 Asp HA . 26534 1 1085 . 1 1 93 93 ASP HB2 H 1 2.779 0.011 . 1 . . . . 135 Asp HB2 . 26534 1 1086 . 1 1 93 93 ASP HB3 H 1 2.677 0.004 . 1 . . . . 135 Asp HB3 . 26534 1 1087 . 1 1 93 93 ASP C C 13 176.757 0.000 . 1 . . . . 135 Asp C . 26534 1 1088 . 1 1 93 93 ASP CA C 13 55.475 0.061 . 1 . . . . 135 Asp CA . 26534 1 1089 . 1 1 93 93 ASP CB C 13 42.399 0.033 . 1 . . . . 135 Asp CB . 26534 1 1090 . 1 1 93 93 ASP N N 15 122.151 0.011 . 1 . . . . 135 Asp N . 26534 1 1091 . 1 1 94 94 ALA H H 1 7.859 0.002 . 1 . . . . 136 Ala H . 26534 1 1092 . 1 1 94 94 ALA HA H 1 5.335 0.002 . 1 . . . . 136 Ala HA . 26534 1 1093 . 1 1 94 94 ALA HB1 H 1 0.872 0.002 . 1 . . . . 136 Ala HB1 . 26534 1 1094 . 1 1 94 94 ALA HB2 H 1 0.872 0.002 . 1 . . . . 136 Ala HB2 . 26534 1 1095 . 1 1 94 94 ALA HB3 H 1 0.872 0.002 . 1 . . . . 136 Ala HB3 . 26534 1 1096 . 1 1 94 94 ALA C C 13 174.410 0.000 . 1 . . . . 136 Ala C . 26534 1 1097 . 1 1 94 94 ALA CA C 13 50.169 0.096 . 1 . . . . 136 Ala CA . 26534 1 1098 . 1 1 94 94 ALA CB C 13 24.318 0.037 . 1 . . . . 136 Ala CB . 26534 1 1099 . 1 1 94 94 ALA N N 15 119.786 0.008 . 1 . . . . 136 Ala N . 26534 1 1100 . 1 1 95 95 TYR H H 1 8.976 0.001 . 1 . . . . 137 Tyr H . 26534 1 1101 . 1 1 95 95 TYR HA H 1 5.165 0.005 . 1 . . . . 137 Tyr HA . 26534 1 1102 . 1 1 95 95 TYR HB2 H 1 2.609 0.004 . 1 . . . . 137 Tyr HB2 . 26534 1 1103 . 1 1 95 95 TYR HB3 H 1 2.293 0.007 . 1 . . . . 137 Tyr HB3 . 26534 1 1104 . 1 1 95 95 TYR HD1 H 1 6.817 0.016 . 1 . . . . 137 Tyr HD1 . 26534 1 1105 . 1 1 95 95 TYR HD2 H 1 6.817 0.016 . 1 . . . . 137 Tyr HD2 . 26534 1 1106 . 1 1 95 95 TYR HE1 H 1 6.769 0.003 . 1 . . . . 137 Tyr HE1 . 26534 1 1107 . 1 1 95 95 TYR HE2 H 1 6.769 0.003 . 1 . . . . 137 Tyr HE2 . 26534 1 1108 . 1 1 95 95 TYR C C 13 175.711 0.000 . 1 . . . . 137 Tyr C . 26534 1 1109 . 1 1 95 95 TYR CA C 13 57.513 0.056 . 1 . . . . 137 Tyr CA . 26534 1 1110 . 1 1 95 95 TYR CB C 13 41.364 0.047 . 1 . . . . 137 Tyr CB . 26534 1 1111 . 1 1 95 95 TYR CD1 C 13 132.515 0.078 . 1 . . . . 137 Tyr CD1 . 26534 1 1112 . 1 1 95 95 TYR CD2 C 13 132.515 0.078 . 1 . . . . 137 Tyr CD2 . 26534 1 1113 . 1 1 95 95 TYR CE1 C 13 118.902 0.015 . 1 . . . . 137 Tyr CE1 . 26534 1 1114 . 1 1 95 95 TYR CE2 C 13 118.902 0.015 . 1 . . . . 137 Tyr CE2 . 26534 1 1115 . 1 1 95 95 TYR N N 15 114.487 0.007 . 1 . . . . 137 Tyr N . 26534 1 1116 . 1 1 96 96 ILE H H 1 9.630 0.001 . 1 . . . . 138 Ile H . 26534 1 1117 . 1 1 96 96 ILE HA H 1 4.297 0.003 . 1 . . . . 138 Ile HA . 26534 1 1118 . 1 1 96 96 ILE HB H 1 1.912 0.003 . 1 . . . . 138 Ile HB . 26534 1 1119 . 1 1 96 96 ILE HG12 H 1 1.417 0.008 . 1 . . . . 138 Ile HG12 . 26534 1 1120 . 1 1 96 96 ILE HG13 H 1 1.118 0.004 . 1 . . . . 138 Ile HG13 . 26534 1 1121 . 1 1 96 96 ILE HG21 H 1 0.765 0.002 . 1 . . . . 138 Ile HG21 . 26534 1 1122 . 1 1 96 96 ILE HG22 H 1 0.765 0.002 . 1 . . . . 138 Ile HG22 . 26534 1 1123 . 1 1 96 96 ILE HG23 H 1 0.765 0.002 . 1 . . . . 138 Ile HG23 . 26534 1 1124 . 1 1 96 96 ILE HD11 H 1 0.748 0.011 . 1 . . . . 138 Ile HD11 . 26534 1 1125 . 1 1 96 96 ILE HD12 H 1 0.748 0.011 . 1 . . . . 138 Ile HD12 . 26534 1 1126 . 1 1 96 96 ILE HD13 H 1 0.748 0.011 . 1 . . . . 138 Ile HD13 . 26534 1 1127 . 1 1 96 96 ILE C C 13 174.681 0.000 . 1 . . . . 138 Ile C . 26534 1 1128 . 1 1 96 96 ILE CA C 13 60.746 0.036 . 1 . . . . 138 Ile CA . 26534 1 1129 . 1 1 96 96 ILE CB C 13 37.221 0.045 . 1 . . . . 138 Ile CB . 26534 1 1130 . 1 1 96 96 ILE CG1 C 13 27.590 0.025 . 1 . . . . 138 Ile CG1 . 26534 1 1131 . 1 1 96 96 ILE CG2 C 13 18.292 0.044 . 1 . . . . 138 Ile CG2 . 26534 1 1132 . 1 1 96 96 ILE CD1 C 13 13.085 0.037 . 1 . . . . 138 Ile CD1 . 26534 1 1133 . 1 1 96 96 ILE N N 15 123.275 0.034 . 1 . . . . 138 Ile N . 26534 1 1134 . 1 1 97 97 VAL H H 1 9.673 0.001 . 1 . . . . 139 Val H . 26534 1 1135 . 1 1 97 97 VAL HA H 1 4.580 0.002 . 1 . . . . 139 Val HA . 26534 1 1136 . 1 1 97 97 VAL HB H 1 2.195 0.002 . 1 . . . . 139 Val HB . 26534 1 1137 . 1 1 97 97 VAL HG11 H 1 0.888 0.003 . 1 . . . . 139 Val HG11 . 26534 1 1138 . 1 1 97 97 VAL HG12 H 1 0.888 0.003 . 1 . . . . 139 Val HG12 . 26534 1 1139 . 1 1 97 97 VAL HG13 H 1 0.888 0.003 . 1 . . . . 139 Val HG13 . 26534 1 1140 . 1 1 97 97 VAL C C 13 175.965 0.000 . 1 . . . . 139 Val C . 26534 1 1141 . 1 1 97 97 VAL CA C 13 61.253 0.041 . 1 . . . . 139 Val CA . 26534 1 1142 . 1 1 97 97 VAL CB C 13 33.662 0.050 . 1 . . . . 139 Val CB . 26534 1 1143 . 1 1 97 97 VAL CG1 C 13 23.191 0.000 . 1 . . . . 139 Val CG1 . 26534 1 1144 . 1 1 97 97 VAL N N 15 132.853 0.016 . 1 . . . . 139 Val N . 26534 1 1145 . 1 1 98 98 GLU H H 1 8.452 0.001 . 1 . . . . 140 Glu H . 26534 1 1146 . 1 1 98 98 GLU HA H 1 4.928 0.001 . 1 . . . . 140 Glu HA . 26534 1 1147 . 1 1 98 98 GLU HB2 H 1 2.140 0.010 . 1 . . . . 140 Glu HB2 . 26534 1 1148 . 1 1 98 98 GLU HB3 H 1 1.673 0.005 . 1 . . . . 140 Glu HB3 . 26534 1 1149 . 1 1 98 98 GLU HG3 H 1 2.187 0.002 . 1 . . . . 140 Glu HG3 . 26534 1 1150 . 1 1 98 98 GLU C C 13 173.566 0.000 . 1 . . . . 140 Glu C . 26534 1 1151 . 1 1 98 98 GLU CA C 13 53.745 0.070 . 1 . . . . 140 Glu CA . 26534 1 1152 . 1 1 98 98 GLU CB C 13 31.860 0.014 . 1 . . . . 140 Glu CB . 26534 1 1153 . 1 1 98 98 GLU CG C 13 36.023 0.000 . 1 . . . . 140 Glu CG . 26534 1 1154 . 1 1 98 98 GLU N N 15 126.625 0.020 . 1 . . . . 140 Glu N . 26534 1 1155 . 1 1 99 99 ALA H H 1 9.462 0.001 . 1 . . . . 141 Ala H . 26534 1 1156 . 1 1 99 99 ALA HA H 1 4.590 0.005 . 1 . . . . 141 Ala HA . 26534 1 1157 . 1 1 99 99 ALA HB1 H 1 1.344 0.004 . 1 . . . . 141 Ala HB1 . 26534 1 1158 . 1 1 99 99 ALA HB2 H 1 1.344 0.004 . 1 . . . . 141 Ala HB2 . 26534 1 1159 . 1 1 99 99 ALA HB3 H 1 1.344 0.004 . 1 . . . . 141 Ala HB3 . 26534 1 1160 . 1 1 99 99 ALA C C 13 175.282 0.000 . 1 . . . . 141 Ala C . 26534 1 1161 . 1 1 99 99 ALA CA C 13 51.156 0.044 . 1 . . . . 141 Ala CA . 26534 1 1162 . 1 1 99 99 ALA CB C 13 22.511 0.021 . 1 . . . . 141 Ala CB . 26534 1 1163 . 1 1 99 99 ALA N N 15 130.065 0.011 . 1 . . . . 141 Ala N . 26534 1 1164 . 1 1 100 100 ASN H H 1 8.535 0.000 . 1 . . . . 142 Asn H . 26534 1 1165 . 1 1 100 100 ASN HA H 1 4.332 0.006 . 1 . . . . 142 Asn HA . 26534 1 1166 . 1 1 100 100 ASN HB2 H 1 2.888 0.007 . 1 . . . . 142 Asn HB2 . 26534 1 1167 . 1 1 100 100 ASN HB3 H 1 2.697 0.004 . 1 . . . . 142 Asn HB3 . 26534 1 1168 . 1 1 100 100 ASN C C 13 176.754 0.000 . 1 . . . . 142 Asn C . 26534 1 1169 . 1 1 100 100 ASN CA C 13 56.219 0.050 . 1 . . . . 142 Asn CA . 26534 1 1170 . 1 1 100 100 ASN CB C 13 38.148 0.039 . 1 . . . . 142 Asn CB . 26534 1 1171 . 1 1 100 100 ASN N N 15 117.650 0.009 . 1 . . . . 142 Asn N . 26534 1 1172 . 1 1 101 101 ALA H H 1 8.014 0.001 . 1 . . . . 143 Ala H . 26534 1 1173 . 1 1 101 101 ALA HA H 1 4.765 0.002 . 1 . . . . 143 Ala HA . 26534 1 1174 . 1 1 101 101 ALA HB1 H 1 1.405 0.004 . 1 . . . . 143 Ala HB1 . 26534 1 1175 . 1 1 101 101 ALA HB2 H 1 1.405 0.004 . 1 . . . . 143 Ala HB2 . 26534 1 1176 . 1 1 101 101 ALA HB3 H 1 1.405 0.004 . 1 . . . . 143 Ala HB3 . 26534 1 1177 . 1 1 101 101 ALA C C 13 175.217 0.000 . 1 . . . . 143 Ala C . 26534 1 1178 . 1 1 101 101 ALA CA C 13 50.003 0.064 . 1 . . . . 143 Ala CA . 26534 1 1179 . 1 1 101 101 ALA CB C 13 20.014 0.065 . 1 . . . . 143 Ala CB . 26534 1 1180 . 1 1 101 101 ALA N N 15 119.144 0.006 . 1 . . . . 143 Ala N . 26534 1 1181 . 1 1 102 102 PRO HA H 1 4.465 0.008 . 1 . . . . 144 Pro HA . 26534 1 1182 . 1 1 102 102 PRO HB2 H 1 2.396 0.003 . 1 . . . . 144 Pro HB2 . 26534 1 1183 . 1 1 102 102 PRO HB3 H 1 1.967 0.002 . 1 . . . . 144 Pro HB3 . 26534 1 1184 . 1 1 102 102 PRO HG2 H 1 2.156 0.002 . 1 . . . . 144 Pro HG2 . 26534 1 1185 . 1 1 102 102 PRO HG3 H 1 1.820 0.005 . 1 . . . . 144 Pro HG3 . 26534 1 1186 . 1 1 102 102 PRO HD2 H 1 3.827 0.005 . 1 . . . . 144 Pro HD2 . 26534 1 1187 . 1 1 102 102 PRO HD3 H 1 3.681 0.003 . 1 . . . . 144 Pro HD3 . 26534 1 1188 . 1 1 102 102 PRO CA C 13 65.545 0.036 . 1 . . . . 144 Pro CA . 26534 1 1189 . 1 1 102 102 PRO CB C 13 32.319 0.030 . 1 . . . . 144 Pro CB . 26534 1 1190 . 1 1 102 102 PRO CG C 13 27.562 0.033 . 1 . . . . 144 Pro CG . 26534 1 1191 . 1 1 102 102 PRO CD C 13 50.562 0.014 . 1 . . . . 144 Pro CD . 26534 1 1192 . 1 1 103 103 ASN H H 1 8.441 0.002 . 1 . . . . 145 Asn H . 26534 1 1193 . 1 1 103 103 ASN HA H 1 4.528 0.003 . 1 . . . . 145 Asn HA . 26534 1 1194 . 1 1 103 103 ASN HB2 H 1 2.794 0.002 . 1 . . . . 145 Asn HB2 . 26534 1 1195 . 1 1 103 103 ASN C C 13 179.107 0.000 . 1 . . . . 145 Asn C . 26534 1 1196 . 1 1 103 103 ASN CA C 13 55.349 0.137 . 1 . . . . 145 Asn CA . 26534 1 1197 . 1 1 103 103 ASN CB C 13 37.759 0.072 . 1 . . . . 145 Asn CB . 26534 1 1198 . 1 1 103 103 ASN N N 15 112.378 0.030 . 1 . . . . 145 Asn N . 26534 1 1199 . 1 1 104 104 ASP H H 1 7.934 0.001 . 1 . . . . 146 Asp H . 26534 1 1200 . 1 1 104 104 ASP HA H 1 4.754 0.005 . 1 . . . . 146 Asp HA . 26534 1 1201 . 1 1 104 104 ASP HB2 H 1 2.927 0.008 . 1 . . . . 146 Asp HB2 . 26534 1 1202 . 1 1 104 104 ASP HB3 H 1 2.933 0.001 . 1 . . . . 146 Asp HB3 . 26534 1 1203 . 1 1 104 104 ASP C C 13 175.694 0.000 . 1 . . . . 146 Asp C . 26534 1 1204 . 1 1 104 104 ASP CA C 13 55.757 0.064 . 1 . . . . 146 Asp CA . 26534 1 1205 . 1 1 104 104 ASP CB C 13 42.880 0.016 . 1 . . . . 146 Asp CB . 26534 1 1206 . 1 1 104 104 ASP N N 15 117.062 0.009 . 1 . . . . 146 Asp N . 26534 1 1207 . 1 1 105 105 VAL H H 1 7.344 0.001 . 1 . . . . 147 Val H . 26534 1 1208 . 1 1 105 105 VAL HA H 1 3.261 0.004 . 1 . . . . 147 Val HA . 26534 1 1209 . 1 1 105 105 VAL HB H 1 2.170 0.006 . 1 . . . . 147 Val HB . 26534 1 1210 . 1 1 105 105 VAL HG11 H 1 1.030 0.006 . 1 . . . . 147 Val HG11 . 26534 1 1211 . 1 1 105 105 VAL HG12 H 1 1.030 0.006 . 1 . . . . 147 Val HG12 . 26534 1 1212 . 1 1 105 105 VAL HG13 H 1 1.030 0.006 . 1 . . . . 147 Val HG13 . 26534 1 1213 . 1 1 105 105 VAL HG21 H 1 0.894 0.004 . 1 . . . . 147 Val HG21 . 26534 1 1214 . 1 1 105 105 VAL HG22 H 1 0.894 0.004 . 1 . . . . 147 Val HG22 . 26534 1 1215 . 1 1 105 105 VAL HG23 H 1 0.894 0.004 . 1 . . . . 147 Val HG23 . 26534 1 1216 . 1 1 105 105 VAL C C 13 176.978 0.000 . 1 . . . . 147 Val C . 26534 1 1217 . 1 1 105 105 VAL CA C 13 67.961 0.052 . 1 . . . . 147 Val CA . 26534 1 1218 . 1 1 105 105 VAL CB C 13 31.599 0.033 . 1 . . . . 147 Val CB . 26534 1 1219 . 1 1 105 105 VAL CG1 C 13 23.960 0.036 . 1 . . . . 147 Val CG1 . 26534 1 1220 . 1 1 105 105 VAL CG2 C 13 20.804 0.024 . 1 . . . . 147 Val CG2 . 26534 1 1221 . 1 1 105 105 VAL N N 15 119.379 0.009 . 1 . . . . 147 Val N . 26534 1 1222 . 1 1 106 106 LYS H H 1 8.188 0.001 . 1 . . . . 148 Lys H . 26534 1 1223 . 1 1 106 106 LYS HA H 1 4.060 0.006 . 1 . . . . 148 Lys HA . 26534 1 1224 . 1 1 106 106 LYS HB2 H 1 1.910 0.001 . 1 . . . . 148 Lys HB2 . 26534 1 1225 . 1 1 106 106 LYS HB3 H 1 1.852 0.001 . 1 . . . . 148 Lys HB3 . 26534 1 1226 . 1 1 106 106 LYS HD3 H 1 1.694 0.001 . 1 . . . . 148 Lys HD3 . 26534 1 1227 . 1 1 106 106 LYS HE3 H 1 2.990 0.003 . 1 . . . . 148 Lys HE3 . 26534 1 1228 . 1 1 106 106 LYS C C 13 176.693 0.000 . 1 . . . . 148 Lys C . 26534 1 1229 . 1 1 106 106 LYS CA C 13 59.269 0.031 . 1 . . . . 148 Lys CA . 26534 1 1230 . 1 1 106 106 LYS CB C 13 31.825 0.012 . 1 . . . . 148 Lys CB . 26534 1 1231 . 1 1 106 106 LYS CG C 13 24.775 0.000 . 1 . . . . 148 Lys CG . 26534 1 1232 . 1 1 106 106 LYS CD C 13 28.729 0.121 . 1 . . . . 148 Lys CD . 26534 1 1233 . 1 1 106 106 LYS CE C 13 42.095 0.000 . 1 . . . . 148 Lys CE . 26534 1 1234 . 1 1 106 106 LYS N N 15 116.838 0.013 . 1 . . . . 148 Lys N . 26534 1 1235 . 1 1 107 107 THR H H 1 7.388 0.001 . 1 . . . . 149 Thr H . 26534 1 1236 . 1 1 107 107 THR HA H 1 3.982 0.004 . 1 . . . . 149 Thr HA . 26534 1 1237 . 1 1 107 107 THR HB H 1 4.291 0.003 . 1 . . . . 149 Thr HB . 26534 1 1238 . 1 1 107 107 THR HG21 H 1 1.278 0.002 . 1 . . . . 149 Thr HG21 . 26534 1 1239 . 1 1 107 107 THR HG22 H 1 1.278 0.002 . 1 . . . . 149 Thr HG22 . 26534 1 1240 . 1 1 107 107 THR HG23 H 1 1.278 0.002 . 1 . . . . 149 Thr HG23 . 26534 1 1241 . 1 1 107 107 THR C C 13 178.836 0.000 . 1 . . . . 149 Thr C . 26534 1 1242 . 1 1 107 107 THR CA C 13 65.661 0.054 . 1 . . . . 149 Thr CA . 26534 1 1243 . 1 1 107 107 THR CB C 13 68.728 0.031 . 1 . . . . 149 Thr CB . 26534 1 1244 . 1 1 107 107 THR CG2 C 13 22.370 0.019 . 1 . . . . 149 Thr CG2 . 26534 1 1245 . 1 1 107 107 THR N N 15 115.755 0.006 . 1 . . . . 149 Thr N . 26534 1 1246 . 1 1 108 108 ILE H H 1 7.978 0.002 . 1 . . . . 150 Ile H . 26534 1 1247 . 1 1 108 108 ILE HA H 1 3.612 0.004 . 1 . . . . 150 Ile HA . 26534 1 1248 . 1 1 108 108 ILE HB H 1 1.677 0.011 . 1 . . . . 150 Ile HB . 26534 1 1249 . 1 1 108 108 ILE HG12 H 1 0.873 0.002 . 1 . . . . 150 Ile HG12 . 26534 1 1250 . 1 1 108 108 ILE HG21 H 1 0.646 0.011 . 1 . . . . 150 Ile HG21 . 26534 1 1251 . 1 1 108 108 ILE HG22 H 1 0.646 0.011 . 1 . . . . 150 Ile HG22 . 26534 1 1252 . 1 1 108 108 ILE HG23 H 1 0.646 0.011 . 1 . . . . 150 Ile HG23 . 26534 1 1253 . 1 1 108 108 ILE HD11 H 1 0.699 0.003 . 1 . . . . 150 Ile HD11 . 26534 1 1254 . 1 1 108 108 ILE HD12 H 1 0.699 0.003 . 1 . . . . 150 Ile HD12 . 26534 1 1255 . 1 1 108 108 ILE HD13 H 1 0.699 0.003 . 1 . . . . 150 Ile HD13 . 26534 1 1256 . 1 1 108 108 ILE C C 13 175.684 0.000 . 1 . . . . 150 Ile C . 26534 1 1257 . 1 1 108 108 ILE CA C 13 65.539 0.040 . 1 . . . . 150 Ile CA . 26534 1 1258 . 1 1 108 108 ILE CB C 13 38.695 0.029 . 1 . . . . 150 Ile CB . 26534 1 1259 . 1 1 108 108 ILE CG1 C 13 29.112 0.042 . 1 . . . . 150 Ile CG1 . 26534 1 1260 . 1 1 108 108 ILE CG2 C 13 16.511 0.014 . 1 . . . . 150 Ile CG2 . 26534 1 1261 . 1 1 108 108 ILE CD1 C 13 15.198 0.056 . 1 . . . . 150 Ile CD1 . 26534 1 1262 . 1 1 108 108 ILE N N 15 121.901 0.011 . 1 . . . . 150 Ile N . 26534 1 1263 . 1 1 109 109 ALA H H 1 8.496 0.002 . 1 . . . . 151 Ala H . 26534 1 1264 . 1 1 109 109 ALA HA H 1 3.821 0.004 . 1 . . . . 151 Ala HA . 26534 1 1265 . 1 1 109 109 ALA HB1 H 1 1.415 0.008 . 1 . . . . 151 Ala HB1 . 26534 1 1266 . 1 1 109 109 ALA HB2 H 1 1.415 0.008 . 1 . . . . 151 Ala HB2 . 26534 1 1267 . 1 1 109 109 ALA HB3 H 1 1.415 0.008 . 1 . . . . 151 Ala HB3 . 26534 1 1268 . 1 1 109 109 ALA C C 13 177.659 0.000 . 1 . . . . 151 Ala C . 26534 1 1269 . 1 1 109 109 ALA CA C 13 55.687 0.057 . 1 . . . . 151 Ala CA . 26534 1 1270 . 1 1 109 109 ALA CB C 13 18.203 0.075 . 1 . . . . 151 Ala CB . 26534 1 1271 . 1 1 109 109 ALA N N 15 119.389 0.058 . 1 . . . . 151 Ala N . 26534 1 1272 . 1 1 110 110 GLU H H 1 7.672 0.001 . 1 . . . . 152 Glu H . 26534 1 1273 . 1 1 110 110 GLU HA H 1 3.967 0.000 . 1 . . . . 152 Glu HA . 26534 1 1274 . 1 1 110 110 GLU HB2 H 1 2.112 0.004 . 1 . . . . 152 Glu HB2 . 26534 1 1275 . 1 1 110 110 GLU HG2 H 1 2.374 0.005 . 1 . . . . 152 Glu HG2 . 26534 1 1276 . 1 1 110 110 GLU C C 13 179.081 0.000 . 1 . . . . 152 Glu C . 26534 1 1277 . 1 1 110 110 GLU CA C 13 58.944 0.029 . 1 . . . . 152 Glu CA . 26534 1 1278 . 1 1 110 110 GLU CB C 13 29.671 0.016 . 1 . . . . 152 Glu CB . 26534 1 1279 . 1 1 110 110 GLU CG C 13 36.201 0.000 . 1 . . . . 152 Glu CG . 26534 1 1280 . 1 1 110 110 GLU N N 15 115.509 0.003 . 1 . . . . 152 Glu N . 26534 1 1281 . 1 1 111 111 ASP H H 1 8.442 0.001 . 1 . . . . 153 Asp H . 26534 1 1282 . 1 1 111 111 ASP HA H 1 4.420 0.007 . 1 . . . . 153 Asp HA . 26534 1 1283 . 1 1 111 111 ASP HB2 H 1 2.709 0.005 . 1 . . . . 153 Asp HB2 . 26534 1 1284 . 1 1 111 111 ASP HB3 H 1 2.486 0.004 . 1 . . . . 153 Asp HB3 . 26534 1 1285 . 1 1 111 111 ASP C C 13 179.475 0.000 . 1 . . . . 153 Asp C . 26534 1 1286 . 1 1 111 111 ASP CA C 13 57.033 0.101 . 1 . . . . 153 Asp CA . 26534 1 1287 . 1 1 111 111 ASP CB C 13 39.860 0.054 . 1 . . . . 153 Asp CB . 26534 1 1288 . 1 1 111 111 ASP N N 15 119.896 0.017 . 1 . . . . 153 Asp N . 26534 1 1289 . 1 1 112 112 ALA H H 1 9.344 0.001 . 1 . . . . 154 Ala H . 26534 1 1290 . 1 1 112 112 ALA HA H 1 3.976 0.009 . 1 . . . . 154 Ala HA . 26534 1 1291 . 1 1 112 112 ALA HB1 H 1 1.324 0.006 . 1 . . . . 154 Ala HB1 . 26534 1 1292 . 1 1 112 112 ALA HB2 H 1 1.324 0.006 . 1 . . . . 154 Ala HB2 . 26534 1 1293 . 1 1 112 112 ALA HB3 H 1 1.324 0.006 . 1 . . . . 154 Ala HB3 . 26534 1 1294 . 1 1 112 112 ALA C C 13 180.419 0.000 . 1 . . . . 154 Ala C . 26534 1 1295 . 1 1 112 112 ALA CA C 13 54.305 0.035 . 1 . . . . 154 Ala CA . 26534 1 1296 . 1 1 112 112 ALA CB C 13 18.275 0.060 . 1 . . . . 154 Ala CB . 26534 1 1297 . 1 1 112 112 ALA N N 15 123.719 0.007 . 1 . . . . 154 Ala N . 26534 1 1298 . 1 1 113 113 LYS H H 1 7.199 0.001 . 1 . . . . 155 Lys H . 26534 1 1299 . 1 1 113 113 LYS HA H 1 3.852 0.003 . 1 . . . . 155 Lys HA . 26534 1 1300 . 1 1 113 113 LYS HB2 H 1 1.947 0.001 . 1 . . . . 155 Lys HB2 . 26534 1 1301 . 1 1 113 113 LYS HB3 H 1 1.860 0.001 . 1 . . . . 155 Lys HB3 . 26534 1 1302 . 1 1 113 113 LYS HG2 H 1 1.786 0.003 . 1 . . . . 155 Lys HG2 . 26534 1 1303 . 1 1 113 113 LYS HG3 H 1 1.469 0.002 . 1 . . . . 155 Lys HG3 . 26534 1 1304 . 1 1 113 113 LYS HD3 H 1 1.737 0.004 . 1 . . . . 155 Lys HD3 . 26534 1 1305 . 1 1 113 113 LYS HE2 H 1 3.060 0.003 . 1 . . . . 155 Lys HE2 . 26534 1 1306 . 1 1 113 113 LYS HE3 H 1 2.880 0.002 . 1 . . . . 155 Lys HE3 . 26534 1 1307 . 1 1 113 113 LYS C C 13 178.383 0.000 . 1 . . . . 155 Lys C . 26534 1 1308 . 1 1 113 113 LYS CA C 13 58.251 0.062 . 1 . . . . 155 Lys CA . 26534 1 1309 . 1 1 113 113 LYS CB C 13 32.939 0.017 . 1 . . . . 155 Lys CB . 26534 1 1310 . 1 1 113 113 LYS CG C 13 26.224 0.038 . 1 . . . . 155 Lys CG . 26534 1 1311 . 1 1 113 113 LYS CD C 13 29.634 0.064 . 1 . . . . 155 Lys CD . 26534 1 1312 . 1 1 113 113 LYS CE C 13 42.054 0.039 . 1 . . . . 155 Lys CE . 26534 1 1313 . 1 1 113 113 LYS N N 15 112.979 0.008 . 1 . . . . 155 Lys N . 26534 1 1314 . 1 1 114 114 LYS H H 1 7.124 0.002 . 1 . . . . 156 Lys H . 26534 1 1315 . 1 1 114 114 LYS HA H 1 4.263 0.006 . 1 . . . . 156 Lys HA . 26534 1 1316 . 1 1 114 114 LYS HB3 H 1 2.096 0.006 . 1 . . . . 156 Lys HB3 . 26534 1 1317 . 1 1 114 114 LYS HG3 H 1 1.445 0.002 . 1 . . . . 156 Lys HG3 . 26534 1 1318 . 1 1 114 114 LYS HE3 H 1 3.027 0.002 . 1 . . . . 156 Lys HE3 . 26534 1 1319 . 1 1 114 114 LYS C C 13 177.389 0.000 . 1 . . . . 156 Lys C . 26534 1 1320 . 1 1 114 114 LYS CA C 13 56.157 0.057 . 1 . . . . 156 Lys CA . 26534 1 1321 . 1 1 114 114 LYS CB C 13 32.933 0.029 . 1 . . . . 156 Lys CB . 26534 1 1322 . 1 1 114 114 LYS CG C 13 25.128 0.072 . 1 . . . . 156 Lys CG . 26534 1 1323 . 1 1 114 114 LYS CD C 13 29.488 0.000 . 1 . . . . 156 Lys CD . 26534 1 1324 . 1 1 114 114 LYS CE C 13 42.034 0.136 . 1 . . . . 156 Lys CE . 26534 1 1325 . 1 1 114 114 LYS N N 15 114.964 0.006 . 1 . . . . 156 Lys N . 26534 1 1326 . 1 1 115 115 ILE H H 1 7.354 0.001 . 1 . . . . 157 Ile H . 26534 1 1327 . 1 1 115 115 ILE HA H 1 3.830 0.007 . 1 . . . . 157 Ile HA . 26534 1 1328 . 1 1 115 115 ILE HB H 1 2.010 0.006 . 1 . . . . 157 Ile HB . 26534 1 1329 . 1 1 115 115 ILE HG12 H 1 1.803 0.005 . 1 . . . . 157 Ile HG12 . 26534 1 1330 . 1 1 115 115 ILE HG13 H 1 1.801 0.007 . 1 . . . . 157 Ile HG13 . 26534 1 1331 . 1 1 115 115 ILE HG21 H 1 0.966 0.008 . 1 . . . . 157 Ile HG21 . 26534 1 1332 . 1 1 115 115 ILE HG22 H 1 0.966 0.008 . 1 . . . . 157 Ile HG22 . 26534 1 1333 . 1 1 115 115 ILE HG23 H 1 0.966 0.008 . 1 . . . . 157 Ile HG23 . 26534 1 1334 . 1 1 115 115 ILE HD11 H 1 0.783 0.012 . 1 . . . . 157 Ile HD11 . 26534 1 1335 . 1 1 115 115 ILE HD12 H 1 0.783 0.012 . 1 . . . . 157 Ile HD12 . 26534 1 1336 . 1 1 115 115 ILE HD13 H 1 0.783 0.012 . 1 . . . . 157 Ile HD13 . 26534 1 1337 . 1 1 115 115 ILE C C 13 176.604 0.000 . 1 . . . . 157 Ile C . 26534 1 1338 . 1 1 115 115 ILE CA C 13 61.757 0.019 . 1 . . . . 157 Ile CA . 26534 1 1339 . 1 1 115 115 ILE CB C 13 37.638 0.074 . 1 . . . . 157 Ile CB . 26534 1 1340 . 1 1 115 115 ILE CG1 C 13 27.447 0.082 . 1 . . . . 157 Ile CG1 . 26534 1 1341 . 1 1 115 115 ILE CG2 C 13 17.838 0.073 . 1 . . . . 157 Ile CG2 . 26534 1 1342 . 1 1 115 115 ILE CD1 C 13 14.551 0.026 . 1 . . . . 157 Ile CD1 . 26534 1 1343 . 1 1 115 115 ILE N N 15 122.312 0.007 . 1 . . . . 157 Ile N . 26534 1 1344 . 1 1 116 116 GLU H H 1 8.796 0.001 . 1 . . . . 158 Glu H . 26534 1 1345 . 1 1 116 116 GLU HA H 1 4.080 0.001 . 1 . . . . 158 Glu HA . 26534 1 1346 . 1 1 116 116 GLU HB2 H 1 2.046 0.000 . 1 . . . . 158 Glu HB2 . 26534 1 1347 . 1 1 116 116 GLU HB3 H 1 1.963 0.004 . 1 . . . . 158 Glu HB3 . 26534 1 1348 . 1 1 116 116 GLU HG3 H 1 2.289 0.000 . 1 . . . . 158 Glu HG3 . 26534 1 1349 . 1 1 116 116 GLU C C 13 176.574 0.000 . 1 . . . . 158 Glu C . 26534 1 1350 . 1 1 116 116 GLU CA C 13 58.415 0.060 . 1 . . . . 158 Glu CA . 26534 1 1351 . 1 1 116 116 GLU CB C 13 29.253 0.031 . 1 . . . . 158 Glu CB . 26534 1 1352 . 1 1 116 116 GLU CG C 13 36.035 0.000 . 1 . . . . 158 Glu CG . 26534 1 1353 . 1 1 116 116 GLU N N 15 130.858 0.011 . 1 . . . . 158 Glu N . 26534 1 1354 . 1 1 117 117 GLY H H 1 8.663 0.001 . 1 . . . . 159 Gly H . 26534 1 1355 . 1 1 117 117 GLY HA2 H 1 4.461 0.004 . 1 . . . . 159 Gly HA2 . 26534 1 1356 . 1 1 117 117 GLY HA3 H 1 3.518 0.003 . 1 . . . . 159 Gly HA3 . 26534 1 1357 . 1 1 117 117 GLY C C 13 176.289 0.000 . 1 . . . . 159 Gly C . 26534 1 1358 . 1 1 117 117 GLY CA C 13 45.050 0.043 . 1 . . . . 159 Gly CA . 26534 1 1359 . 1 1 117 117 GLY N N 15 112.831 0.013 . 1 . . . . 159 Gly N . 26534 1 1360 . 1 1 118 118 VAL H H 1 7.620 0.001 . 1 . . . . 160 Val H . 26534 1 1361 . 1 1 118 118 VAL HA H 1 4.228 0.006 . 1 . . . . 160 Val HA . 26534 1 1362 . 1 1 118 118 VAL HB H 1 2.289 0.009 . 1 . . . . 160 Val HB . 26534 1 1363 . 1 1 118 118 VAL HG11 H 1 0.855 0.001 . 1 . . . . 160 Val HG11 . 26534 1 1364 . 1 1 118 118 VAL HG12 H 1 0.855 0.001 . 1 . . . . 160 Val HG12 . 26534 1 1365 . 1 1 118 118 VAL HG13 H 1 0.855 0.001 . 1 . . . . 160 Val HG13 . 26534 1 1366 . 1 1 118 118 VAL HG21 H 1 0.853 0.003 . 1 . . . . 160 Val HG21 . 26534 1 1367 . 1 1 118 118 VAL HG22 H 1 0.853 0.003 . 1 . . . . 160 Val HG22 . 26534 1 1368 . 1 1 118 118 VAL HG23 H 1 0.853 0.003 . 1 . . . . 160 Val HG23 . 26534 1 1369 . 1 1 118 118 VAL C C 13 173.145 0.000 . 1 . . . . 160 Val C . 26534 1 1370 . 1 1 118 118 VAL CA C 13 63.400 0.064 . 1 . . . . 160 Val CA . 26534 1 1371 . 1 1 118 118 VAL CB C 13 32.602 0.048 . 1 . . . . 160 Val CB . 26534 1 1372 . 1 1 118 118 VAL CG1 C 13 23.853 0.000 . 1 . . . . 160 Val CG1 . 26534 1 1373 . 1 1 118 118 VAL CG2 C 13 21.341 0.000 . 1 . . . . 160 Val CG2 . 26534 1 1374 . 1 1 118 118 VAL N N 15 121.103 0.011 . 1 . . . . 160 Val N . 26534 1 1375 . 1 1 119 119 SER H H 1 9.447 0.004 . 1 . . . . 161 Ser H . 26534 1 1376 . 1 1 119 119 SER HA H 1 4.464 0.008 . 1 . . . . 161 Ser HA . 26534 1 1377 . 1 1 119 119 SER HB2 H 1 3.541 0.003 . 1 . . . . 161 Ser HB2 . 26534 1 1378 . 1 1 119 119 SER HB3 H 1 3.387 0.005 . 1 . . . . 161 Ser HB3 . 26534 1 1379 . 1 1 119 119 SER C C 13 176.980 0.000 . 1 . . . . 161 Ser C . 26534 1 1380 . 1 1 119 119 SER CA C 13 58.646 0.041 . 1 . . . . 161 Ser CA . 26534 1 1381 . 1 1 119 119 SER CB C 13 64.157 0.033 . 1 . . . . 161 Ser CB . 26534 1 1382 . 1 1 119 119 SER N N 15 123.406 0.017 . 1 . . . . 161 Ser N . 26534 1 1383 . 1 1 120 120 GLU H H 1 7.475 0.002 . 1 . . . . 162 Glu H . 26534 1 1384 . 1 1 120 120 GLU HA H 1 4.630 0.004 . 1 . . . . 162 Glu HA . 26534 1 1385 . 1 1 120 120 GLU HB2 H 1 2.013 0.001 . 1 . . . . 162 Glu HB2 . 26534 1 1386 . 1 1 120 120 GLU HB3 H 1 1.910 0.001 . 1 . . . . 162 Glu HB3 . 26534 1 1387 . 1 1 120 120 GLU HG2 H 1 2.100 0.002 . 1 . . . . 162 Glu HG2 . 26534 1 1388 . 1 1 120 120 GLU HG3 H 1 2.100 0.002 . 1 . . . . 162 Glu HG3 . 26534 1 1389 . 1 1 120 120 GLU C C 13 174.481 0.000 . 1 . . . . 162 Glu C . 26534 1 1390 . 1 1 120 120 GLU CA C 13 55.329 0.078 . 1 . . . . 162 Glu CA . 26534 1 1391 . 1 1 120 120 GLU CB C 13 33.166 0.034 . 1 . . . . 162 Glu CB . 26534 1 1392 . 1 1 120 120 GLU CG C 13 36.133 0.076 . 1 . . . . 162 Glu CG . 26534 1 1393 . 1 1 120 120 GLU N N 15 118.915 0.017 . 1 . . . . 162 Glu N . 26534 1 1394 . 1 1 121 121 VAL H H 1 8.917 0.001 . 1 . . . . 163 Val H . 26534 1 1395 . 1 1 121 121 VAL HA H 1 5.125 0.005 . 1 . . . . 163 Val HA . 26534 1 1396 . 1 1 121 121 VAL HB H 1 1.851 0.004 . 1 . . . . 163 Val HB . 26534 1 1397 . 1 1 121 121 VAL HG11 H 1 0.912 0.006 . 1 . . . . 163 Val HG11 . 26534 1 1398 . 1 1 121 121 VAL HG12 H 1 0.912 0.006 . 1 . . . . 163 Val HG12 . 26534 1 1399 . 1 1 121 121 VAL HG13 H 1 0.912 0.006 . 1 . . . . 163 Val HG13 . 26534 1 1400 . 1 1 121 121 VAL HG21 H 1 0.909 0.006 . 1 . . . . 163 Val HG21 . 26534 1 1401 . 1 1 121 121 VAL HG22 H 1 0.909 0.006 . 1 . . . . 163 Val HG22 . 26534 1 1402 . 1 1 121 121 VAL HG23 H 1 0.909 0.006 . 1 . . . . 163 Val HG23 . 26534 1 1403 . 1 1 121 121 VAL C C 13 173.024 0.000 . 1 . . . . 163 Val C . 26534 1 1404 . 1 1 121 121 VAL CA C 13 60.692 0.057 . 1 . . . . 163 Val CA . 26534 1 1405 . 1 1 121 121 VAL CB C 13 35.033 0.027 . 1 . . . . 163 Val CB . 26534 1 1406 . 1 1 121 121 VAL CG1 C 13 21.974 0.079 . 1 . . . . 163 Val CG1 . 26534 1 1407 . 1 1 121 121 VAL CG2 C 13 21.952 0.018 . 1 . . . . 163 Val CG2 . 26534 1 1408 . 1 1 121 121 VAL N N 15 121.819 0.007 . 1 . . . . 163 Val N . 26534 1 1409 . 1 1 122 122 GLN H H 1 9.375 0.001 . 1 . . . . 164 Gln H . 26534 1 1410 . 1 1 122 122 GLN HA H 1 4.836 0.004 . 1 . . . . 164 Gln HA . 26534 1 1411 . 1 1 122 122 GLN HB2 H 1 2.276 0.001 . 1 . . . . 164 Gln HB2 . 26534 1 1412 . 1 1 122 122 GLN HB3 H 1 2.037 0.001 . 1 . . . . 164 Gln HB3 . 26534 1 1413 . 1 1 122 122 GLN HG2 H 1 2.453 0.002 . 1 . . . . 164 Gln HG2 . 26534 1 1414 . 1 1 122 122 GLN HG3 H 1 2.450 0.009 . 1 . . . . 164 Gln HG3 . 26534 1 1415 . 1 1 122 122 GLN C C 13 175.224 0.000 . 1 . . . . 164 Gln C . 26534 1 1416 . 1 1 122 122 GLN CA C 13 54.571 0.109 . 1 . . . . 164 Gln CA . 26534 1 1417 . 1 1 122 122 GLN CB C 13 32.151 0.037 . 1 . . . . 164 Gln CB . 26534 1 1418 . 1 1 122 122 GLN CG C 13 33.642 0.037 . 1 . . . . 164 Gln CG . 26534 1 1419 . 1 1 122 122 GLN N N 15 126.355 0.009 . 1 . . . . 164 Gln N . 26534 1 1420 . 1 1 123 123 ASP H H 1 8.723 0.001 . 1 . . . . 165 Asp H . 26534 1 1421 . 1 1 123 123 ASP HA H 1 4.841 0.006 . 1 . . . . 165 Asp HA . 26534 1 1422 . 1 1 123 123 ASP HB2 H 1 2.799 0.004 . 1 . . . . 165 Asp HB2 . 26534 1 1423 . 1 1 123 123 ASP HB3 H 1 2.420 0.004 . 1 . . . . 165 Asp HB3 . 26534 1 1424 . 1 1 123 123 ASP C C 13 174.554 0.000 . 1 . . . . 165 Asp C . 26534 1 1425 . 1 1 123 123 ASP CA C 13 53.287 0.099 . 1 . . . . 165 Asp CA . 26534 1 1426 . 1 1 123 123 ASP CB C 13 42.260 0.035 . 1 . . . . 165 Asp CB . 26534 1 1427 . 1 1 123 123 ASP N N 15 123.606 0.008 . 1 . . . . 165 Asp N . 26534 1 1428 . 1 1 124 124 GLY H H 1 8.455 0.001 . 1 . . . . 166 Gly H . 26534 1 1429 . 1 1 124 124 GLY HA2 H 1 4.008 0.003 . 1 . . . . 166 Gly HA2 . 26534 1 1430 . 1 1 124 124 GLY HA3 H 1 4.003 0.006 . 1 . . . . 166 Gly HA3 . 26534 1 1431 . 1 1 124 124 GLY C C 13 175.873 0.000 . 1 . . . . 166 Gly C . 26534 1 1432 . 1 1 124 124 GLY CA C 13 45.737 0.090 . 1 . . . . 166 Gly CA . 26534 1 1433 . 1 1 124 124 GLY N N 15 108.550 0.008 . 1 . . . . 166 Gly N . 26534 1 1434 . 1 1 125 125 GLY H H 1 8.508 0.000 . 1 . . . . 167 Gly H . 26534 1 1435 . 1 1 125 125 GLY HA2 H 1 3.921 0.000 . 1 . . . . 167 Gly HA2 . 26534 1 1436 . 1 1 125 125 GLY HA3 H 1 3.921 0.000 . 1 . . . . 167 Gly HA3 . 26534 1 1437 . 1 1 125 125 GLY C C 13 174.834 0.000 . 1 . . . . 167 Gly C . 26534 1 1438 . 1 1 125 125 GLY CA C 13 45.335 0.041 . 1 . . . . 167 Gly CA . 26534 1 1439 . 1 1 125 125 GLY N N 15 109.352 0.011 . 1 . . . . 167 Gly N . 26534 1 1440 . 1 1 126 126 ALA H H 1 7.826 0.001 . 1 . . . . 168 Ala H . 26534 1 1441 . 1 1 126 126 ALA HA H 1 4.126 0.001 . 1 . . . . 168 Ala HA . 26534 1 1442 . 1 1 126 126 ALA HB1 H 1 1.332 0.001 . 1 . . . . 168 Ala HB1 . 26534 1 1443 . 1 1 126 126 ALA HB2 H 1 1.332 0.001 . 1 . . . . 168 Ala HB2 . 26534 1 1444 . 1 1 126 126 ALA HB3 H 1 1.332 0.001 . 1 . . . . 168 Ala HB3 . 26534 1 1445 . 1 1 126 126 ALA C C 13 173.040 0.000 . 1 . . . . 168 Ala C . 26534 1 1446 . 1 1 126 126 ALA CA C 13 53.763 0.060 . 1 . . . . 168 Ala CA . 26534 1 1447 . 1 1 126 126 ALA CB C 13 20.117 0.113 . 1 . . . . 168 Ala CB . 26534 1 1448 . 1 1 126 126 ALA N N 15 128.887 0.004 . 1 . . . . 168 Ala N . 26534 1 stop_ save_