data_26518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26518 _Entry.Title ; NMR solution structure of the putative transfer protein TraH from Gram-positive conjugative plasmid pIP501 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-23 _Entry.Accession_date 2015-02-23 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Niels Helge' Meyer . . . . 26518 2 C. Fercher . . . . 26518 3 K. Zangger . . . . 26518 4 W. Keller . . . . 26518 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26518 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . MeyerGroup . 26518 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BACTERIAL . 26518 'CELL ADHESION' . 26518 'bacterial conjugation' . 26518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 563 26518 '15N chemical shifts' 147 26518 '1H chemical shifts' 925 26518 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-13 . original BMRB . 26518 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5aiw 'PDBe entry' 26518 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26518 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27103580 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; VirB8-like protein TraH is crucial for DNA transfer in Enterococcus faecalis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 24643 _Citation.Page_last 24643 _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 Christian Fercher . . . . 26518 1 2 Ines Probst . . . . 26518 1 3 Verena Kohler . . . . 26518 1 4 Nikolaus Goessweiner-Mohr . . . . 26518 1 5 Karsten Arends . . . . 26518 1 6 Elisabeth Grohmann . . . . 26518 1 7 Klaus Zangger . . . . 26518 1 8 'N. Helge' Meyer . . . . 26518 1 9 Walter Keller . . . . 26518 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26518 _Assembly.ID 1 _Assembly.Name 'putative transfer protein TraH from Gram-positive conjugative plasmid pIP501' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14896.3656 _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 TRAH 1 $TRAH A . yes native no no . . . 26518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRAH _Entity.Sf_category entity _Entity.Sf_framecode TRAH _Entity.Entry_ID 26518 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TRAH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNTNQSESEKIIKEFYKTVY NYEKSQKEISMTTVKELATD NVYQELQNEINVNNSYSPQQ NTIQKSSVNENEIKILAYES KDNSQQYLVTAPIHQVFNGT KNDFEINQLIQIKNQKITQR TTIQLGEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP RESIDUES 57-183' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14896.3656 _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 56 SER . 26518 1 2 57 ASN . 26518 1 3 58 THR . 26518 1 4 59 ASN . 26518 1 5 60 GLN . 26518 1 6 61 SER . 26518 1 7 62 GLU . 26518 1 8 63 SER . 26518 1 9 64 GLU . 26518 1 10 65 LYS . 26518 1 11 66 ILE . 26518 1 12 67 ILE . 26518 1 13 68 LYS . 26518 1 14 69 GLU . 26518 1 15 70 PHE . 26518 1 16 71 TYR . 26518 1 17 72 LYS . 26518 1 18 73 THR . 26518 1 19 74 VAL . 26518 1 20 75 TYR . 26518 1 21 76 ASN . 26518 1 22 77 TYR . 26518 1 23 78 GLU . 26518 1 24 79 LYS . 26518 1 25 80 SER . 26518 1 26 81 GLN . 26518 1 27 82 LYS . 26518 1 28 83 GLU . 26518 1 29 84 ILE . 26518 1 30 85 SER . 26518 1 31 86 MET . 26518 1 32 87 THR . 26518 1 33 88 THR . 26518 1 34 89 VAL . 26518 1 35 90 LYS . 26518 1 36 91 GLU . 26518 1 37 92 LEU . 26518 1 38 93 ALA . 26518 1 39 94 THR . 26518 1 40 95 ASP . 26518 1 41 96 ASN . 26518 1 42 97 VAL . 26518 1 43 98 TYR . 26518 1 44 99 GLN . 26518 1 45 100 GLU . 26518 1 46 101 LEU . 26518 1 47 102 GLN . 26518 1 48 103 ASN . 26518 1 49 104 GLU . 26518 1 50 105 ILE . 26518 1 51 106 ASN . 26518 1 52 107 VAL . 26518 1 53 108 ASN . 26518 1 54 109 ASN . 26518 1 55 110 SER . 26518 1 56 111 TYR . 26518 1 57 112 SER . 26518 1 58 113 PRO . 26518 1 59 114 GLN . 26518 1 60 115 GLN . 26518 1 61 116 ASN . 26518 1 62 117 THR . 26518 1 63 118 ILE . 26518 1 64 119 GLN . 26518 1 65 120 LYS . 26518 1 66 121 SER . 26518 1 67 122 SER . 26518 1 68 123 VAL . 26518 1 69 124 ASN . 26518 1 70 125 GLU . 26518 1 71 126 ASN . 26518 1 72 127 GLU . 26518 1 73 128 ILE . 26518 1 74 129 LYS . 26518 1 75 130 ILE . 26518 1 76 131 LEU . 26518 1 77 132 ALA . 26518 1 78 133 TYR . 26518 1 79 134 GLU . 26518 1 80 135 SER . 26518 1 81 136 LYS . 26518 1 82 137 ASP . 26518 1 83 138 ASN . 26518 1 84 139 SER . 26518 1 85 140 GLN . 26518 1 86 141 GLN . 26518 1 87 142 TYR . 26518 1 88 143 LEU . 26518 1 89 144 VAL . 26518 1 90 145 THR . 26518 1 91 146 ALA . 26518 1 92 147 PRO . 26518 1 93 148 ILE . 26518 1 94 149 HIS . 26518 1 95 150 GLN . 26518 1 96 151 VAL . 26518 1 97 152 PHE . 26518 1 98 153 ASN . 26518 1 99 154 GLY . 26518 1 100 155 THR . 26518 1 101 156 LYS . 26518 1 102 157 ASN . 26518 1 103 158 ASP . 26518 1 104 159 PHE . 26518 1 105 160 GLU . 26518 1 106 161 ILE . 26518 1 107 162 ASN . 26518 1 108 163 GLN . 26518 1 109 164 LEU . 26518 1 110 165 ILE . 26518 1 111 166 GLN . 26518 1 112 167 ILE . 26518 1 113 168 LYS . 26518 1 114 169 ASN . 26518 1 115 170 GLN . 26518 1 116 171 LYS . 26518 1 117 172 ILE . 26518 1 118 173 THR . 26518 1 119 174 GLN . 26518 1 120 175 ARG . 26518 1 121 176 THR . 26518 1 122 177 THR . 26518 1 123 178 ILE . 26518 1 124 179 GLN . 26518 1 125 180 LEU . 26518 1 126 181 GLY . 26518 1 127 182 GLU . 26518 1 128 183 GLU . 26518 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 26518 1 . ASN 2 2 26518 1 . THR 3 3 26518 1 . ASN 4 4 26518 1 . GLN 5 5 26518 1 . SER 6 6 26518 1 . GLU 7 7 26518 1 . SER 8 8 26518 1 . GLU 9 9 26518 1 . LYS 10 10 26518 1 . ILE 11 11 26518 1 . ILE 12 12 26518 1 . LYS 13 13 26518 1 . GLU 14 14 26518 1 . PHE 15 15 26518 1 . TYR 16 16 26518 1 . LYS 17 17 26518 1 . THR 18 18 26518 1 . VAL 19 19 26518 1 . TYR 20 20 26518 1 . ASN 21 21 26518 1 . TYR 22 22 26518 1 . GLU 23 23 26518 1 . LYS 24 24 26518 1 . SER 25 25 26518 1 . GLN 26 26 26518 1 . LYS 27 27 26518 1 . GLU 28 28 26518 1 . ILE 29 29 26518 1 . SER 30 30 26518 1 . MET 31 31 26518 1 . THR 32 32 26518 1 . THR 33 33 26518 1 . VAL 34 34 26518 1 . LYS 35 35 26518 1 . GLU 36 36 26518 1 . LEU 37 37 26518 1 . ALA 38 38 26518 1 . THR 39 39 26518 1 . ASP 40 40 26518 1 . ASN 41 41 26518 1 . VAL 42 42 26518 1 . TYR 43 43 26518 1 . GLN 44 44 26518 1 . GLU 45 45 26518 1 . LEU 46 46 26518 1 . GLN 47 47 26518 1 . ASN 48 48 26518 1 . GLU 49 49 26518 1 . ILE 50 50 26518 1 . ASN 51 51 26518 1 . VAL 52 52 26518 1 . ASN 53 53 26518 1 . ASN 54 54 26518 1 . SER 55 55 26518 1 . TYR 56 56 26518 1 . SER 57 57 26518 1 . PRO 58 58 26518 1 . GLN 59 59 26518 1 . GLN 60 60 26518 1 . ASN 61 61 26518 1 . THR 62 62 26518 1 . ILE 63 63 26518 1 . GLN 64 64 26518 1 . LYS 65 65 26518 1 . SER 66 66 26518 1 . SER 67 67 26518 1 . VAL 68 68 26518 1 . ASN 69 69 26518 1 . GLU 70 70 26518 1 . ASN 71 71 26518 1 . GLU 72 72 26518 1 . ILE 73 73 26518 1 . LYS 74 74 26518 1 . ILE 75 75 26518 1 . LEU 76 76 26518 1 . ALA 77 77 26518 1 . TYR 78 78 26518 1 . GLU 79 79 26518 1 . SER 80 80 26518 1 . LYS 81 81 26518 1 . ASP 82 82 26518 1 . ASN 83 83 26518 1 . SER 84 84 26518 1 . GLN 85 85 26518 1 . GLN 86 86 26518 1 . TYR 87 87 26518 1 . LEU 88 88 26518 1 . VAL 89 89 26518 1 . THR 90 90 26518 1 . ALA 91 91 26518 1 . PRO 92 92 26518 1 . ILE 93 93 26518 1 . HIS 94 94 26518 1 . GLN 95 95 26518 1 . VAL 96 96 26518 1 . PHE 97 97 26518 1 . ASN 98 98 26518 1 . GLY 99 99 26518 1 . THR 100 100 26518 1 . LYS 101 101 26518 1 . ASN 102 102 26518 1 . ASP 103 103 26518 1 . PHE 104 104 26518 1 . GLU 105 105 26518 1 . ILE 106 106 26518 1 . ASN 107 107 26518 1 . GLN 108 108 26518 1 . LEU 109 109 26518 1 . ILE 110 110 26518 1 . GLN 111 111 26518 1 . ILE 112 112 26518 1 . LYS 113 113 26518 1 . ASN 114 114 26518 1 . GLN 115 115 26518 1 . LYS 116 116 26518 1 . ILE 117 117 26518 1 . THR 118 118 26518 1 . GLN 119 119 26518 1 . ARG 120 120 26518 1 . THR 121 121 26518 1 . THR 122 122 26518 1 . ILE 123 123 26518 1 . GLN 124 124 26518 1 . LEU 125 125 26518 1 . GLY 126 126 26518 1 . GLU 127 127 26518 1 . GLU 128 128 26518 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 26518 _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 $TRAH . 1351 organism . 'ENTEROCOCCUS FAECALIS ENGEN0234' 'Enterococcus faecalis' . . Bacteria . Enterococcus faecalis . . . . . . . . . . . . . 26518 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 26518 _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 $TRAH . 'recombinant technology' 'ESCHERICHIA COLI BL21' 'ESCHERICHIA COLI BL21' . . . . BL21 . . n/a . . na . . 'residue S56 is derived from expression vector' 26518 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26518 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% D2O, 90% water' _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 TRAH '[U-13C; U-15N]' . . 1 $TRAH . . 0.5 . . mM . . . . 26518 1 2 PO4 'natural abundance' . . . . . . 50 . . mM . . . . 26518 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26518 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26518 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'pH [6.5], temp [298], pressure [1], ionStrength [200.0]' 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' 200.000 . mM 26518 1 pH 6.500 . pH 26518 1 pressure 1.000 . atm 26518 1 temperature 298.000 . K 26518 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 26518 _Software.ID 1 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 26518 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 26518 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26518 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26518 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 26518 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26518 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26518 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 26518 3 stop_ save_ save_RECOORD_CNS _Software.Sf_category software _Software.Sf_framecode RECOORD_CNS _Software.Entry_ID 26518 _Software.ID 4 _Software.Type . _Software.Name RECOORD_CNS _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.J. NEDERVEEN, J.F. DORELEIJERS, W.F.' . . 26518 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 26518 4 stop_ save_ save_method_CYANA _Method.Sf_category method _Method.Sf_framecode method_CYANA _Method.Entry_ID 26518 _Method.ID 1 _Method.Name . _Method.Derivation_type . _Method.Details CYANA _Method.Computer_ID . _Method.Computer_label . _Method.Computing_platform_ID . _Method.Computing_platform_label . save_ save_method_CNS _Method.Sf_category method _Method.Sf_framecode method_CNS _Method.Entry_ID 26518 _Method.ID 2 _Method.Name . _Method.Derivation_type . _Method.Details CNS _Method.Computer_ID . _Method.Computer_label . _Method.Computing_platform_ID . _Method.Computing_platform_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-700 _NMR_spectrometer.Entry_ID 26518 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26518 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance-700 Bruker Avance . 700 . . . 26518 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 26518 _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 NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 26518 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 26518 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 HDO HDO . . . . ppm 4.773 internal indirect . . . . . . 26518 1 H 1 HDO HDO . . . . ppm 4.773 internal indirect 1 . . . . . 26518 1 N 15 HDO HDO . . . . ppm 4.771 internal indirect 0.101329118 . . . . . 26518 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26518 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5aiw/ebi/test_1.bmrb.csh' _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 NOESY 1 $sample_1 solution 26518 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS . . 26518 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER C C 13 174.304 0.000 . 1 . . . . . 56 SER C . 26518 1 2 . 1 . 1 2 2 ASN C C 13 175.602 0.000 . 1 . . . . . 57 ASN C . 26518 1 3 . 1 . 1 3 3 THR H H 1 8.221 0.004 . 1 . . . . . 58 THR H . 26518 1 4 . 1 . 1 3 3 THR HA H 1 4.307 0.013 . 1 . . . . . 58 THR HA . 26518 1 5 . 1 . 1 3 3 THR HB H 1 4.247 0.005 . 1 . . . . . 58 THR HB . 26518 1 6 . 1 . 1 3 3 THR HG21 H 1 1.198 0.012 . 1 . . . . . 58 THR QG2 . 26518 1 7 . 1 . 1 3 3 THR HG22 H 1 1.198 0.012 . 1 . . . . . 58 THR QG2 . 26518 1 8 . 1 . 1 3 3 THR HG23 H 1 1.198 0.012 . 1 . . . . . 58 THR QG2 . 26518 1 9 . 1 . 1 3 3 THR C C 13 174.579 0.000 . 1 . . . . . 58 THR C . 26518 1 10 . 1 . 1 3 3 THR CA C 13 62.430 0.033 . 1 . . . . . 58 THR CA . 26518 1 11 . 1 . 1 3 3 THR CB C 13 69.690 0.104 . 1 . . . . . 58 THR CB . 26518 1 12 . 1 . 1 3 3 THR CG2 C 13 21.711 0.048 . 1 . . . . . 58 THR CG2 . 26518 1 13 . 1 . 1 3 3 THR N N 15 114.840 0.011 . 1 . . . . . 58 THR N . 26518 1 14 . 1 . 1 4 4 ASN H H 1 8.552 0.009 . 1 . . . . . 59 ASN H . 26518 1 15 . 1 . 1 4 4 ASN HA H 1 4.722 0.008 . 1 . . . . . 59 ASN HA . 26518 1 16 . 1 . 1 4 4 ASN HB2 H 1 2.884 0.003 . 2 . . . . . 59 ASN HB2 . 26518 1 17 . 1 . 1 4 4 ASN HB3 H 1 2.827 0.007 . 2 . . . . . 59 ASN HB3 . 26518 1 18 . 1 . 1 4 4 ASN HD21 H 1 7.717 0.002 . 2 . . . . . 59 ASN HD21 . 26518 1 19 . 1 . 1 4 4 ASN HD22 H 1 6.995 0.001 . 2 . . . . . 59 ASN HD22 . 26518 1 20 . 1 . 1 4 4 ASN C C 13 175.756 0.000 . 1 . . . . . 59 ASN C . 26518 1 21 . 1 . 1 4 4 ASN CA C 13 53.662 0.084 . 1 . . . . . 59 ASN CA . 26518 1 22 . 1 . 1 4 4 ASN CB C 13 38.608 0.055 . 1 . . . . . 59 ASN CB . 26518 1 23 . 1 . 1 4 4 ASN N N 15 121.280 0.001 . 1 . . . . . 59 ASN N . 26518 1 24 . 1 . 1 4 4 ASN ND2 N 15 113.266 0.016 . 1 . . . . . 59 ASN ND2 . 26518 1 25 . 1 . 1 5 5 GLN H H 1 8.406 0.015 . 1 . . . . . 60 GLN H . 26518 1 26 . 1 . 1 5 5 GLN HA H 1 4.289 0.002 . 1 . . . . . 60 GLN HA . 26518 1 27 . 1 . 1 5 5 GLN HB2 H 1 2.111 0.005 . 2 . . . . . 60 GLN HB2 . 26518 1 28 . 1 . 1 5 5 GLN HB3 H 1 2.111 0.005 . 2 . . . . . 60 GLN HB3 . 26518 1 29 . 1 . 1 5 5 GLN HG2 H 1 2.409 0.004 . 2 . . . . . 60 GLN HG2 . 26518 1 30 . 1 . 1 5 5 GLN HG3 H 1 2.409 0.004 . 2 . . . . . 60 GLN HG3 . 26518 1 31 . 1 . 1 5 5 GLN HE21 H 1 7.759 0.015 . 2 . . . . . 60 GLN HE21 . 26518 1 32 . 1 . 1 5 5 GLN HE22 H 1 6.806 0.015 . 2 . . . . . 60 GLN HE22 . 26518 1 33 . 1 . 1 5 5 GLN C C 13 176.831 0.000 . 1 . . . . . 60 GLN C . 26518 1 34 . 1 . 1 5 5 GLN CA C 13 57.736 0.066 . 1 . . . . . 60 GLN CA . 26518 1 35 . 1 . 1 5 5 GLN CB C 13 29.060 0.150 . 1 . . . . . 60 GLN CB . 26518 1 36 . 1 . 1 5 5 GLN CG C 13 33.682 0.031 . 1 . . . . . 60 GLN CG . 26518 1 37 . 1 . 1 5 5 GLN N N 15 121.611 0.010 . 1 . . . . . 60 GLN N . 26518 1 38 . 1 . 1 5 5 GLN NE2 N 15 111.788 0.018 . 1 . . . . . 60 GLN NE2 . 26518 1 39 . 1 . 1 6 6 SER H H 1 8.451 0.001 . 1 . . . . . 61 SER H . 26518 1 40 . 1 . 1 6 6 SER HA H 1 4.289 0.015 . 1 . . . . . 61 SER HA . 26518 1 41 . 1 . 1 6 6 SER HB2 H 1 4.023 0.007 . 2 . . . . . 61 SER HB2 . 26518 1 42 . 1 . 1 6 6 SER HB3 H 1 3.938 0.009 . 2 . . . . . 61 SER HB3 . 26518 1 43 . 1 . 1 6 6 SER C C 13 176.388 0.000 . 1 . . . . . 61 SER C . 26518 1 44 . 1 . 1 6 6 SER CA C 13 60.374 0.002 . 1 . . . . . 61 SER CA . 26518 1 45 . 1 . 1 6 6 SER CB C 13 63.269 0.012 . 1 . . . . . 61 SER CB . 26518 1 46 . 1 . 1 6 6 SER N N 15 116.639 0.006 . 1 . . . . . 61 SER N . 26518 1 47 . 1 . 1 7 7 GLU H H 1 8.422 0.004 . 1 . . . . . 62 GLU H . 26518 1 48 . 1 . 1 7 7 GLU HA H 1 4.110 0.007 . 1 . . . . . 62 GLU HA . 26518 1 49 . 1 . 1 7 7 GLU HB2 H 1 2.095 0.004 . 2 . . . . . 62 GLU HB2 . 26518 1 50 . 1 . 1 7 7 GLU HB3 H 1 2.095 0.004 . 2 . . . . . 62 GLU HB3 . 26518 1 51 . 1 . 1 7 7 GLU HG2 H 1 2.344 0.015 . 2 . . . . . 62 GLU HG2 . 26518 1 52 . 1 . 1 7 7 GLU HG3 H 1 2.344 0.015 . 2 . . . . . 62 GLU HG3 . 26518 1 53 . 1 . 1 7 7 GLU C C 13 178.812 0.000 . 1 . . . . . 62 GLU C . 26518 1 54 . 1 . 1 7 7 GLU CA C 13 59.089 0.002 . 1 . . . . . 62 GLU CA . 26518 1 55 . 1 . 1 7 7 GLU CB C 13 29.498 0.125 . 1 . . . . . 62 GLU CB . 26518 1 56 . 1 . 1 7 7 GLU CG C 13 36.416 0.150 . 1 . . . . . 62 GLU CG . 26518 1 57 . 1 . 1 7 7 GLU N N 15 122.782 0.012 . 1 . . . . . 62 GLU N . 26518 1 58 . 1 . 1 8 8 SER H H 1 8.140 0.006 . 1 . . . . . 63 SER H . 26518 1 59 . 1 . 1 8 8 SER HA H 1 4.019 0.004 . 1 . . . . . 63 SER HA . 26518 1 60 . 1 . 1 8 8 SER HB2 H 1 3.447 0.004 . 2 . . . . . 63 SER HB2 . 26518 1 61 . 1 . 1 8 8 SER HB3 H 1 3.807 0.007 . 2 . . . . . 63 SER HB3 . 26518 1 62 . 1 . 1 8 8 SER C C 13 175.140 0.000 . 1 . . . . . 63 SER C . 26518 1 63 . 1 . 1 8 8 SER CA C 13 62.234 0.066 . 1 . . . . . 63 SER CA . 26518 1 64 . 1 . 1 8 8 SER CB C 13 62.632 0.016 . 1 . . . . . 63 SER CB . 26518 1 65 . 1 . 1 8 8 SER N N 15 116.162 0.004 . 1 . . . . . 63 SER N . 26518 1 66 . 1 . 1 9 9 GLU H H 1 8.158 0.015 . 1 . . . . . 64 GLU H . 26518 1 67 . 1 . 1 9 9 GLU HA H 1 3.506 0.006 . 1 . . . . . 64 GLU HA . 26518 1 68 . 1 . 1 9 9 GLU HB2 H 1 1.897 0.006 . 2 . . . . . 64 GLU HB2 . 26518 1 69 . 1 . 1 9 9 GLU HB3 H 1 2.056 0.007 . 2 . . . . . 64 GLU HB3 . 26518 1 70 . 1 . 1 9 9 GLU HG2 H 1 2.332 0.005 . 2 . . . . . 64 GLU HG2 . 26518 1 71 . 1 . 1 9 9 GLU HG3 H 1 1.946 0.001 . 2 . . . . . 64 GLU HG3 . 26518 1 72 . 1 . 1 9 9 GLU C C 13 177.602 0.000 . 1 . . . . . 64 GLU C . 26518 1 73 . 1 . 1 9 9 GLU CA C 13 60.208 0.041 . 1 . . . . . 64 GLU CA . 26518 1 74 . 1 . 1 9 9 GLU CB C 13 29.218 0.061 . 1 . . . . . 64 GLU CB . 26518 1 75 . 1 . 1 9 9 GLU CG C 13 36.864 0.072 . 1 . . . . . 64 GLU CG . 26518 1 76 . 1 . 1 9 9 GLU N N 15 120.221 0.033 . 1 . . . . . 64 GLU N . 26518 1 77 . 1 . 1 10 10 LYS H H 1 7.500 0.008 . 1 . . . . . 65 LYS H . 26518 1 78 . 1 . 1 10 10 LYS HA H 1 3.943 0.007 . 1 . . . . . 65 LYS HA . 26518 1 79 . 1 . 1 10 10 LYS HB2 H 1 1.992 0.003 . 2 . . . . . 65 LYS HB2 . 26518 1 80 . 1 . 1 10 10 LYS HB3 H 1 1.916 0.008 . 2 . . . . . 65 LYS HB3 . 26518 1 81 . 1 . 1 10 10 LYS HG2 H 1 1.375 0.015 . 2 . . . . . 65 LYS HG2 . 26518 1 82 . 1 . 1 10 10 LYS HG3 H 1 1.375 0.015 . 2 . . . . . 65 LYS HG3 . 26518 1 83 . 1 . 1 10 10 LYS HD2 H 1 1.683 0.007 . 2 . . . . . 65 LYS HD2 . 26518 1 84 . 1 . 1 10 10 LYS HD3 H 1 1.683 0.007 . 2 . . . . . 65 LYS HD3 . 26518 1 85 . 1 . 1 10 10 LYS HE2 H 1 2.930 0.003 . 2 . . . . . 65 LYS HE2 . 26518 1 86 . 1 . 1 10 10 LYS HE3 H 1 2.930 0.003 . 2 . . . . . 65 LYS HE3 . 26518 1 87 . 1 . 1 10 10 LYS C C 13 178.836 0.000 . 1 . . . . . 65 LYS C . 26518 1 88 . 1 . 1 10 10 LYS CA C 13 59.886 0.036 . 1 . . . . . 65 LYS CA . 26518 1 89 . 1 . 1 10 10 LYS CB C 13 32.325 0.056 . 1 . . . . . 65 LYS CB . 26518 1 90 . 1 . 1 10 10 LYS CG C 13 25.119 0.150 . 1 . . . . . 65 LYS CG . 26518 1 91 . 1 . 1 10 10 LYS CD C 13 29.396 0.052 . 1 . . . . . 65 LYS CD . 26518 1 92 . 1 . 1 10 10 LYS N N 15 118.272 0.150 . 1 . . . . . 65 LYS N . 26518 1 93 . 1 . 1 11 11 ILE H H 1 7.588 0.002 . 1 . . . . . 66 ILE H . 26518 1 94 . 1 . 1 11 11 ILE HA H 1 3.720 0.004 . 1 . . . . . 66 ILE HA . 26518 1 95 . 1 . 1 11 11 ILE HB H 1 1.917 0.005 . 1 . . . . . 66 ILE HB . 26518 1 96 . 1 . 1 11 11 ILE HG12 H 1 1.698 0.004 . 2 . . . . . 66 ILE HG12 . 26518 1 97 . 1 . 1 11 11 ILE HG13 H 1 1.220 0.004 . 2 . . . . . 66 ILE HG13 . 26518 1 98 . 1 . 1 11 11 ILE HG21 H 1 0.945 0.009 . 1 . . . . . 66 ILE QG2 . 26518 1 99 . 1 . 1 11 11 ILE HG22 H 1 0.945 0.009 . 1 . . . . . 66 ILE QG2 . 26518 1 100 . 1 . 1 11 11 ILE HG23 H 1 0.945 0.009 . 1 . . . . . 66 ILE QG2 . 26518 1 101 . 1 . 1 11 11 ILE HD11 H 1 0.786 0.005 . 1 . . . . . 66 ILE QD1 . 26518 1 102 . 1 . 1 11 11 ILE HD12 H 1 0.786 0.005 . 1 . . . . . 66 ILE QD1 . 26518 1 103 . 1 . 1 11 11 ILE HD13 H 1 0.786 0.005 . 1 . . . . . 66 ILE QD1 . 26518 1 104 . 1 . 1 11 11 ILE C C 13 177.543 0.000 . 1 . . . . . 66 ILE C . 26518 1 105 . 1 . 1 11 11 ILE CA C 13 65.145 0.015 . 1 . . . . . 66 ILE CA . 26518 1 106 . 1 . 1 11 11 ILE CB C 13 38.584 0.020 . 1 . . . . . 66 ILE CB . 26518 1 107 . 1 . 1 11 11 ILE CG1 C 13 28.839 0.124 . 1 . . . . . 66 ILE CG1 . 26518 1 108 . 1 . 1 11 11 ILE CG2 C 13 17.137 0.051 . 1 . . . . . 66 ILE CG2 . 26518 1 109 . 1 . 1 11 11 ILE CD1 C 13 13.537 0.004 . 1 . . . . . 66 ILE CD1 . 26518 1 110 . 1 . 1 11 11 ILE N N 15 119.679 0.044 . 1 . . . . . 66 ILE N . 26518 1 111 . 1 . 1 12 12 ILE H H 1 7.866 0.006 . 1 . . . . . 67 ILE H . 26518 1 112 . 1 . 1 12 12 ILE HA H 1 3.522 0.002 . 1 . . . . . 67 ILE HA . 26518 1 113 . 1 . 1 12 12 ILE HB H 1 1.754 0.005 . 1 . . . . . 67 ILE HB . 26518 1 114 . 1 . 1 12 12 ILE HG12 H 1 0.613 0.006 . 2 . . . . . 67 ILE HG12 . 26518 1 115 . 1 . 1 12 12 ILE HG13 H 1 1.839 0.004 . 2 . . . . . 67 ILE HG13 . 26518 1 116 . 1 . 1 12 12 ILE HG21 H 1 0.847 0.004 . 1 . . . . . 67 ILE QG2 . 26518 1 117 . 1 . 1 12 12 ILE HG22 H 1 0.847 0.004 . 1 . . . . . 67 ILE QG2 . 26518 1 118 . 1 . 1 12 12 ILE HG23 H 1 0.847 0.004 . 1 . . . . . 67 ILE QG2 . 26518 1 119 . 1 . 1 12 12 ILE HD11 H 1 0.204 0.005 . 1 . . . . . 67 ILE QD1 . 26518 1 120 . 1 . 1 12 12 ILE HD12 H 1 0.204 0.005 . 1 . . . . . 67 ILE QD1 . 26518 1 121 . 1 . 1 12 12 ILE HD13 H 1 0.204 0.005 . 1 . . . . . 67 ILE QD1 . 26518 1 122 . 1 . 1 12 12 ILE C C 13 178.179 0.000 . 1 . . . . . 67 ILE C . 26518 1 123 . 1 . 1 12 12 ILE CA C 13 66.686 0.076 . 1 . . . . . 67 ILE CA . 26518 1 124 . 1 . 1 12 12 ILE CB C 13 38.385 0.017 . 1 . . . . . 67 ILE CB . 26518 1 125 . 1 . 1 12 12 ILE CG1 C 13 30.766 0.060 . 1 . . . . . 67 ILE CG1 . 26518 1 126 . 1 . 1 12 12 ILE CG2 C 13 18.762 0.065 . 1 . . . . . 67 ILE CG2 . 26518 1 127 . 1 . 1 12 12 ILE CD1 C 13 13.541 0.022 . 1 . . . . . 67 ILE CD1 . 26518 1 128 . 1 . 1 12 12 ILE N N 15 118.513 0.005 . 1 . . . . . 67 ILE N . 26518 1 129 . 1 . 1 13 13 LYS H H 1 8.523 0.009 . 1 . . . . . 68 LYS H . 26518 1 130 . 1 . 1 13 13 LYS HA H 1 3.880 0.005 . 1 . . . . . 68 LYS HA . 26518 1 131 . 1 . 1 13 13 LYS HB2 H 1 2.024 0.015 . 2 . . . . . 68 LYS HB2 . 26518 1 132 . 1 . 1 13 13 LYS HB3 H 1 1.792 0.015 . 2 . . . . . 68 LYS HB3 . 26518 1 133 . 1 . 1 13 13 LYS HG2 H 1 1.778 0.012 . 2 . . . . . 68 LYS HG2 . 26518 1 134 . 1 . 1 13 13 LYS HG3 H 1 1.228 0.006 . 2 . . . . . 68 LYS HG3 . 26518 1 135 . 1 . 1 13 13 LYS HD2 H 1 1.675 0.004 . 2 . . . . . 68 LYS HD2 . 26518 1 136 . 1 . 1 13 13 LYS HD3 H 1 1.675 0.004 . 2 . . . . . 68 LYS HD3 . 26518 1 137 . 1 . 1 13 13 LYS HE2 H 1 2.998 0.003 . 2 . . . . . 68 LYS HE2 . 26518 1 138 . 1 . 1 13 13 LYS HE3 H 1 2.792 0.003 . 2 . . . . . 68 LYS HE3 . 26518 1 139 . 1 . 1 13 13 LYS C C 13 178.342 0.000 . 1 . . . . . 68 LYS C . 26518 1 140 . 1 . 1 13 13 LYS CA C 13 61.879 0.032 . 1 . . . . . 68 LYS CA . 26518 1 141 . 1 . 1 13 13 LYS CB C 13 32.418 0.150 . 1 . . . . . 68 LYS CB . 26518 1 142 . 1 . 1 13 13 LYS CG C 13 28.023 0.061 . 1 . . . . . 68 LYS CG . 26518 1 143 . 1 . 1 13 13 LYS CD C 13 29.822 0.150 . 1 . . . . . 68 LYS CD . 26518 1 144 . 1 . 1 13 13 LYS CE C 13 42.199 0.034 . 1 . . . . . 68 LYS CE . 26518 1 145 . 1 . 1 13 13 LYS N N 15 118.263 0.004 . 1 . . . . . 68 LYS N . 26518 1 146 . 1 . 1 14 14 GLU H H 1 8.415 0.004 . 1 . . . . . 69 GLU H . 26518 1 147 . 1 . 1 14 14 GLU HA H 1 4.018 0.001 . 1 . . . . . 69 GLU HA . 26518 1 148 . 1 . 1 14 14 GLU HB2 H 1 2.193 0.002 . 2 . . . . . 69 GLU HB2 . 26518 1 149 . 1 . 1 14 14 GLU HB3 H 1 2.061 0.015 . 2 . . . . . 69 GLU HB3 . 26518 1 150 . 1 . 1 14 14 GLU HG2 H 1 2.369 0.010 . 2 . . . . . 69 GLU HG2 . 26518 1 151 . 1 . 1 14 14 GLU HG3 H 1 2.288 0.007 . 2 . . . . . 69 GLU HG3 . 26518 1 152 . 1 . 1 14 14 GLU C C 13 179.728 0.000 . 1 . . . . . 69 GLU C . 26518 1 153 . 1 . 1 14 14 GLU CA C 13 59.331 0.012 . 1 . . . . . 69 GLU CA . 26518 1 154 . 1 . 1 14 14 GLU CB C 13 29.072 0.041 . 1 . . . . . 69 GLU CB . 26518 1 155 . 1 . 1 14 14 GLU CG C 13 36.235 0.094 . 1 . . . . . 69 GLU CG . 26518 1 156 . 1 . 1 14 14 GLU N N 15 117.884 0.003 . 1 . . . . . 69 GLU N . 26518 1 157 . 1 . 1 15 15 PHE H H 1 8.766 0.006 . 1 . . . . . 70 PHE H . 26518 1 158 . 1 . 1 15 15 PHE HA H 1 3.776 0.004 . 1 . . . . . 70 PHE HA . 26518 1 159 . 1 . 1 15 15 PHE HB2 H 1 3.336 0.007 . 2 . . . . . 70 PHE HB2 . 26518 1 160 . 1 . 1 15 15 PHE HB3 H 1 3.026 0.006 . 2 . . . . . 70 PHE HB3 . 26518 1 161 . 1 . 1 15 15 PHE HD1 H 1 6.606 0.003 . 1 . . . . . 70 PHE HD1 . 26518 1 162 . 1 . 1 15 15 PHE HD2 H 1 6.606 0.003 . 1 . . . . . 70 PHE HD2 . 26518 1 163 . 1 . 1 15 15 PHE HE1 H 1 6.738 0.015 . 1 . . . . . 70 PHE HE1 . 26518 1 164 . 1 . 1 15 15 PHE HE2 H 1 6.738 0.015 . 1 . . . . . 70 PHE HE2 . 26518 1 165 . 1 . 1 15 15 PHE HZ H 1 6.720 0.004 . 1 . . . . . 70 PHE HZ . 26518 1 166 . 1 . 1 15 15 PHE C C 13 176.478 0.000 . 1 . . . . . 70 PHE C . 26518 1 167 . 1 . 1 15 15 PHE CA C 13 63.150 0.087 . 1 . . . . . 70 PHE CA . 26518 1 168 . 1 . 1 15 15 PHE CB C 13 39.286 0.055 . 1 . . . . . 70 PHE CB . 26518 1 169 . 1 . 1 15 15 PHE CD1 C 13 131.572 0.023 . 1 . . . . . 70 PHE CD1 . 26518 1 170 . 1 . 1 15 15 PHE CD2 C 13 131.572 0.023 . 1 . . . . . 70 PHE CD2 . 26518 1 171 . 1 . 1 15 15 PHE CE1 C 13 130.408 0.074 . 1 . . . . . 70 PHE CE1 . 26518 1 172 . 1 . 1 15 15 PHE CE2 C 13 130.408 0.074 . 1 . . . . . 70 PHE CE2 . 26518 1 173 . 1 . 1 15 15 PHE CZ C 13 128.188 0.012 . 1 . . . . . 70 PHE CZ . 26518 1 174 . 1 . 1 15 15 PHE N N 15 123.173 0.014 . 1 . . . . . 70 PHE N . 26518 1 175 . 1 . 1 16 16 TYR H H 1 8.595 0.001 . 1 . . . . . 71 TYR H . 26518 1 176 . 1 . 1 16 16 TYR HA H 1 3.883 0.002 . 1 . . . . . 71 TYR HA . 26518 1 177 . 1 . 1 16 16 TYR HB2 H 1 3.005 0.006 . 2 . . . . . 71 TYR HB2 . 26518 1 178 . 1 . 1 16 16 TYR HB3 H 1 2.687 0.009 . 2 . . . . . 71 TYR HB3 . 26518 1 179 . 1 . 1 16 16 TYR HD1 H 1 7.381 0.015 . 1 . . . . . 71 TYR HD1 . 26518 1 180 . 1 . 1 16 16 TYR HD2 H 1 7.381 0.015 . 1 . . . . . 71 TYR HD2 . 26518 1 181 . 1 . 1 16 16 TYR HE1 H 1 6.678 0.005 . 1 . . . . . 71 TYR HE1 . 26518 1 182 . 1 . 1 16 16 TYR HE2 H 1 6.678 0.005 . 1 . . . . . 71 TYR HE2 . 26518 1 183 . 1 . 1 16 16 TYR C C 13 177.770 0.000 . 1 . . . . . 71 TYR C . 26518 1 184 . 1 . 1 16 16 TYR CA C 13 64.256 0.030 . 1 . . . . . 71 TYR CA . 26518 1 185 . 1 . 1 16 16 TYR CB C 13 38.628 0.099 . 1 . . . . . 71 TYR CB . 26518 1 186 . 1 . 1 16 16 TYR CD1 C 13 132.199 0.044 . 1 . . . . . 71 TYR CD1 . 26518 1 187 . 1 . 1 16 16 TYR CD2 C 13 132.199 0.044 . 1 . . . . . 71 TYR CD2 . 26518 1 188 . 1 . 1 16 16 TYR CE1 C 13 118.254 0.036 . 1 . . . . . 71 TYR CE1 . 26518 1 189 . 1 . 1 16 16 TYR CE2 C 13 118.254 0.036 . 1 . . . . . 71 TYR CE2 . 26518 1 190 . 1 . 1 16 16 TYR N N 15 117.763 0.035 . 1 . . . . . 71 TYR N . 26518 1 191 . 1 . 1 17 17 LYS H H 1 8.606 0.012 . 1 . . . . . 72 LYS H . 26518 1 192 . 1 . 1 17 17 LYS HA H 1 3.716 0.005 . 1 . . . . . 72 LYS HA . 26518 1 193 . 1 . 1 17 17 LYS HB2 H 1 1.894 0.004 . 2 . . . . . 72 LYS HB2 . 26518 1 194 . 1 . 1 17 17 LYS HB3 H 1 1.894 0.004 . 2 . . . . . 72 LYS HB3 . 26518 1 195 . 1 . 1 17 17 LYS HG2 H 1 1.558 0.001 . 2 . . . . . 72 LYS HG2 . 26518 1 196 . 1 . 1 17 17 LYS HG3 H 1 1.444 0.015 . 2 . . . . . 72 LYS HG3 . 26518 1 197 . 1 . 1 17 17 LYS HD2 H 1 1.665 0.003 . 2 . . . . . 72 LYS HD2 . 26518 1 198 . 1 . 1 17 17 LYS HD3 H 1 1.619 0.001 . 2 . . . . . 72 LYS HD3 . 26518 1 199 . 1 . 1 17 17 LYS HE2 H 1 2.911 0.015 . 2 . . . . . 72 LYS HE2 . 26518 1 200 . 1 . 1 17 17 LYS HE3 H 1 2.911 0.015 . 2 . . . . . 72 LYS HE3 . 26518 1 201 . 1 . 1 17 17 LYS C C 13 178.433 0.000 . 1 . . . . . 72 LYS C . 26518 1 202 . 1 . 1 17 17 LYS CA C 13 59.239 0.150 . 1 . . . . . 72 LYS CA . 26518 1 203 . 1 . 1 17 17 LYS CB C 13 32.645 0.037 . 1 . . . . . 72 LYS CB . 26518 1 204 . 1 . 1 17 17 LYS CG C 13 24.800 0.002 . 1 . . . . . 72 LYS CG . 26518 1 205 . 1 . 1 17 17 LYS CD C 13 30.041 0.003 . 1 . . . . . 72 LYS CD . 26518 1 206 . 1 . 1 17 17 LYS CE C 13 41.866 0.150 . 1 . . . . . 72 LYS CE . 26518 1 207 . 1 . 1 17 17 LYS N N 15 117.402 0.004 . 1 . . . . . 72 LYS N . 26518 1 208 . 1 . 1 18 18 THR H H 1 7.671 0.004 . 1 . . . . . 73 THR H . 26518 1 209 . 1 . 1 18 18 THR HA H 1 3.917 0.006 . 1 . . . . . 73 THR HA . 26518 1 210 . 1 . 1 18 18 THR HB H 1 4.095 0.001 . 1 . . . . . 73 THR HB . 26518 1 211 . 1 . 1 18 18 THR HG21 H 1 1.107 0.002 . 1 . . . . . 73 THR QG2 . 26518 1 212 . 1 . 1 18 18 THR HG22 H 1 1.107 0.002 . 1 . . . . . 73 THR QG2 . 26518 1 213 . 1 . 1 18 18 THR HG23 H 1 1.107 0.002 . 1 . . . . . 73 THR QG2 . 26518 1 214 . 1 . 1 18 18 THR C C 13 175.176 0.000 . 1 . . . . . 73 THR C . 26518 1 215 . 1 . 1 18 18 THR CA C 13 66.526 0.120 . 1 . . . . . 73 THR CA . 26518 1 216 . 1 . 1 18 18 THR CB C 13 68.687 0.036 . 1 . . . . . 73 THR CB . 26518 1 217 . 1 . 1 18 18 THR CG2 C 13 22.050 0.025 . 1 . . . . . 73 THR CG2 . 26518 1 218 . 1 . 1 18 18 THR N N 15 114.594 0.013 . 1 . . . . . 73 THR N . 26518 1 219 . 1 . 1 19 19 VAL H H 1 7.527 0.006 . 1 . . . . . 74 VAL H . 26518 1 220 . 1 . 1 19 19 VAL HA H 1 3.571 0.001 . 1 . . . . . 74 VAL HA . 26518 1 221 . 1 . 1 19 19 VAL HB H 1 1.196 0.003 . 1 . . . . . 74 VAL HB . 26518 1 222 . 1 . 1 19 19 VAL HG11 H 1 -0.166 0.015 . 2 . . . . . 74 VAL QG1 . 26518 1 223 . 1 . 1 19 19 VAL HG12 H 1 -0.166 0.015 . 2 . . . . . 74 VAL QG1 . 26518 1 224 . 1 . 1 19 19 VAL HG13 H 1 -0.166 0.015 . 2 . . . . . 74 VAL QG1 . 26518 1 225 . 1 . 1 19 19 VAL HG21 H 1 -0.143 0.010 . 2 . . . . . 74 VAL QG2 . 26518 1 226 . 1 . 1 19 19 VAL HG22 H 1 -0.143 0.010 . 2 . . . . . 74 VAL QG2 . 26518 1 227 . 1 . 1 19 19 VAL HG23 H 1 -0.143 0.010 . 2 . . . . . 74 VAL QG2 . 26518 1 228 . 1 . 1 19 19 VAL C C 13 175.775 0.000 . 1 . . . . . 74 VAL C . 26518 1 229 . 1 . 1 19 19 VAL CA C 13 64.535 0.037 . 1 . . . . . 74 VAL CA . 26518 1 230 . 1 . 1 19 19 VAL CB C 13 32.384 0.014 . 1 . . . . . 74 VAL CB . 26518 1 231 . 1 . 1 19 19 VAL CG1 C 13 21.767 0.009 . 1 . . . . . 74 VAL CG1 . 26518 1 232 . 1 . 1 19 19 VAL CG2 C 13 21.977 0.007 . 1 . . . . . 74 VAL CG2 . 26518 1 233 . 1 . 1 19 19 VAL N N 15 115.612 0.031 . 1 . . . . . 74 VAL N . 26518 1 234 . 1 . 1 20 20 TYR H H 1 7.478 0.003 . 1 . . . . . 75 TYR H . 26518 1 235 . 1 . 1 20 20 TYR HA H 1 4.744 0.010 . 1 . . . . . 75 TYR HA . 26518 1 236 . 1 . 1 20 20 TYR HB2 H 1 3.116 0.006 . 2 . . . . . 75 TYR HB2 . 26518 1 237 . 1 . 1 20 20 TYR HB3 H 1 2.592 0.005 . 2 . . . . . 75 TYR HB3 . 26518 1 238 . 1 . 1 20 20 TYR HD1 H 1 7.062 0.012 . 1 . . . . . 75 TYR HD1 . 26518 1 239 . 1 . 1 20 20 TYR HD2 H 1 7.062 0.012 . 1 . . . . . 75 TYR HD2 . 26518 1 240 . 1 . 1 20 20 TYR HE1 H 1 6.566 0.002 . 1 . . . . . 75 TYR HE1 . 26518 1 241 . 1 . 1 20 20 TYR HE2 H 1 6.566 0.002 . 1 . . . . . 75 TYR HE2 . 26518 1 242 . 1 . 1 20 20 TYR C C 13 174.817 0.000 . 1 . . . . . 75 TYR C . 26518 1 243 . 1 . 1 20 20 TYR CA C 13 58.431 0.020 . 1 . . . . . 75 TYR CA . 26518 1 244 . 1 . 1 20 20 TYR CB C 13 38.416 0.090 . 1 . . . . . 75 TYR CB . 26518 1 245 . 1 . 1 20 20 TYR CD1 C 13 133.016 0.065 . 1 . . . . . 75 TYR CD1 . 26518 1 246 . 1 . 1 20 20 TYR CD2 C 13 133.016 0.065 . 1 . . . . . 75 TYR CD2 . 26518 1 247 . 1 . 1 20 20 TYR CE1 C 13 117.666 0.102 . 1 . . . . . 75 TYR CE1 . 26518 1 248 . 1 . 1 20 20 TYR CE2 C 13 117.666 0.102 . 1 . . . . . 75 TYR CE2 . 26518 1 249 . 1 . 1 20 20 TYR N N 15 111.034 0.025 . 1 . . . . . 75 TYR N . 26518 1 250 . 1 . 1 21 21 ASN H H 1 6.740 0.015 . 1 . . . . . 76 ASN H . 26518 1 251 . 1 . 1 21 21 ASN HA H 1 5.538 0.003 . 1 . . . . . 76 ASN HA . 26518 1 252 . 1 . 1 21 21 ASN HB2 H 1 2.508 0.003 . 2 . . . . . 76 ASN HB2 . 26518 1 253 . 1 . 1 21 21 ASN HB3 H 1 3.064 0.006 . 2 . . . . . 76 ASN HB3 . 26518 1 254 . 1 . 1 21 21 ASN HD21 H 1 8.685 0.015 . 2 . . . . . 76 ASN HD21 . 26518 1 255 . 1 . 1 21 21 ASN HD22 H 1 7.137 0.015 . 2 . . . . . 76 ASN HD22 . 26518 1 256 . 1 . 1 21 21 ASN C C 13 173.323 0.000 . 1 . . . . . 76 ASN C . 26518 1 257 . 1 . 1 21 21 ASN CA C 13 52.311 0.006 . 1 . . . . . 76 ASN CA . 26518 1 258 . 1 . 1 21 21 ASN CB C 13 40.734 0.104 . 1 . . . . . 76 ASN CB . 26518 1 259 . 1 . 1 21 21 ASN N N 15 117.158 0.023 . 1 . . . . . 76 ASN N . 26518 1 260 . 1 . 1 21 21 ASN ND2 N 15 116.876 0.006 . 1 . . . . . 76 ASN ND2 . 26518 1 261 . 1 . 1 22 22 TYR H H 1 8.346 0.004 . 1 . . . . . 77 TYR H . 26518 1 262 . 1 . 1 22 22 TYR HA H 1 4.657 0.014 . 1 . . . . . 77 TYR HA . 26518 1 263 . 1 . 1 22 22 TYR HB2 H 1 3.212 0.008 . 2 . . . . . 77 TYR HB2 . 26518 1 264 . 1 . 1 22 22 TYR HB3 H 1 2.937 0.003 . 2 . . . . . 77 TYR HB3 . 26518 1 265 . 1 . 1 22 22 TYR C C 13 174.170 0.000 . 1 . . . . . 77 TYR C . 26518 1 266 . 1 . 1 22 22 TYR CA C 13 56.730 0.036 . 1 . . . . . 77 TYR CA . 26518 1 267 . 1 . 1 22 22 TYR CB C 13 38.502 0.125 . 1 . . . . . 77 TYR CB . 26518 1 268 . 1 . 1 22 22 TYR N N 15 118.493 0.013 . 1 . . . . . 77 TYR N . 26518 1 269 . 1 . 1 23 23 GLU H H 1 9.831 0.008 . 1 . . . . . 78 GLU H . 26518 1 270 . 1 . 1 23 23 GLU HA H 1 4.467 0.015 . 1 . . . . . 78 GLU HA . 26518 1 271 . 1 . 1 23 23 GLU HB2 H 1 2.176 0.002 . 2 . . . . . 78 GLU HB2 . 26518 1 272 . 1 . 1 23 23 GLU HB3 H 1 2.176 0.002 . 2 . . . . . 78 GLU HB3 . 26518 1 273 . 1 . 1 23 23 GLU HG2 H 1 2.347 0.015 . 2 . . . . . 78 GLU HG2 . 26518 1 274 . 1 . 1 23 23 GLU HG3 H 1 2.285 0.015 . 2 . . . . . 78 GLU HG3 . 26518 1 275 . 1 . 1 23 23 GLU C C 13 176.505 0.000 . 1 . . . . . 78 GLU C . 26518 1 276 . 1 . 1 23 23 GLU CA C 13 58.484 0.150 . 1 . . . . . 78 GLU CA . 26518 1 277 . 1 . 1 23 23 GLU CB C 13 31.834 0.087 . 1 . . . . . 78 GLU CB . 26518 1 278 . 1 . 1 23 23 GLU CG C 13 36.358 0.055 . 1 . . . . . 78 GLU CG . 26518 1 279 . 1 . 1 23 23 GLU N N 15 122.477 0.011 . 1 . . . . . 78 GLU N . 26518 1 280 . 1 . 1 24 24 LYS H H 1 9.562 0.002 . 1 . . . . . 79 LYS H . 26518 1 281 . 1 . 1 24 24 LYS HA H 1 4.586 0.012 . 1 . . . . . 79 LYS HA . 26518 1 282 . 1 . 1 24 24 LYS HB2 H 1 1.920 0.015 . 2 . . . . . 79 LYS HB2 . 26518 1 283 . 1 . 1 24 24 LYS HB3 H 1 1.862 0.015 . 2 . . . . . 79 LYS HB3 . 26518 1 284 . 1 . 1 24 24 LYS HG2 H 1 1.424 0.015 . 2 . . . . . 79 LYS HG2 . 26518 1 285 . 1 . 1 24 24 LYS HG3 H 1 1.424 0.015 . 2 . . . . . 79 LYS HG3 . 26518 1 286 . 1 . 1 24 24 LYS HD2 H 1 1.699 0.015 . 2 . . . . . 79 LYS HD2 . 26518 1 287 . 1 . 1 24 24 LYS HD3 H 1 1.699 0.015 . 2 . . . . . 79 LYS HD3 . 26518 1 288 . 1 . 1 24 24 LYS HE2 H 1 2.982 0.015 . 2 . . . . . 79 LYS HE2 . 26518 1 289 . 1 . 1 24 24 LYS HE3 H 1 2.982 0.015 . 2 . . . . . 79 LYS HE3 . 26518 1 290 . 1 . 1 24 24 LYS C C 13 177.894 0.000 . 1 . . . . . 79 LYS C . 26518 1 291 . 1 . 1 24 24 LYS CA C 13 57.506 0.150 . 1 . . . . . 79 LYS CA . 26518 1 292 . 1 . 1 24 24 LYS CB C 13 35.645 0.011 . 1 . . . . . 79 LYS CB . 26518 1 293 . 1 . 1 24 24 LYS CG C 13 25.478 0.150 . 1 . . . . . 79 LYS CG . 26518 1 294 . 1 . 1 24 24 LYS CD C 13 29.585 0.150 . 1 . . . . . 79 LYS CD . 26518 1 295 . 1 . 1 24 24 LYS CE C 13 42.124 0.150 . 1 . . . . . 79 LYS CE . 26518 1 296 . 1 . 1 24 24 LYS N N 15 116.143 0.028 . 1 . . . . . 79 LYS N . 26518 1 297 . 1 . 1 25 25 SER H H 1 8.037 0.003 . 1 . . . . . 80 SER H . 26518 1 298 . 1 . 1 25 25 SER HA H 1 4.595 0.002 . 1 . . . . . 80 SER HA . 26518 1 299 . 1 . 1 25 25 SER HB2 H 1 4.035 0.002 . 2 . . . . . 80 SER HB2 . 26518 1 300 . 1 . 1 25 25 SER HB3 H 1 3.607 0.004 . 2 . . . . . 80 SER HB3 . 26518 1 301 . 1 . 1 25 25 SER C C 13 173.981 0.000 . 1 . . . . . 80 SER C . 26518 1 302 . 1 . 1 25 25 SER CA C 13 57.496 0.013 . 1 . . . . . 80 SER CA . 26518 1 303 . 1 . 1 25 25 SER CB C 13 65.233 0.062 . 1 . . . . . 80 SER CB . 26518 1 304 . 1 . 1 25 25 SER N N 15 112.659 0.057 . 1 . . . . . 80 SER N . 26518 1 305 . 1 . 1 26 26 GLN H H 1 8.739 0.002 . 1 . . . . . 81 GLN H . 26518 1 306 . 1 . 1 26 26 GLN HA H 1 2.646 0.004 . 1 . . . . . 81 GLN HA . 26518 1 307 . 1 . 1 26 26 GLN HB2 H 1 1.753 0.001 . 2 . . . . . 81 GLN HB2 . 26518 1 308 . 1 . 1 26 26 GLN HB3 H 1 1.456 0.004 . 2 . . . . . 81 GLN HB3 . 26518 1 309 . 1 . 1 26 26 GLN HG2 H 1 2.003 0.004 . 2 . . . . . 81 GLN HG2 . 26518 1 310 . 1 . 1 26 26 GLN HG3 H 1 2.003 0.004 . 2 . . . . . 81 GLN HG3 . 26518 1 311 . 1 . 1 26 26 GLN HE21 H 1 7.064 0.015 . 2 . . . . . 81 GLN HE21 . 26518 1 312 . 1 . 1 26 26 GLN HE22 H 1 6.417 0.015 . 2 . . . . . 81 GLN HE22 . 26518 1 313 . 1 . 1 26 26 GLN C C 13 176.241 0.000 . 1 . . . . . 81 GLN C . 26518 1 314 . 1 . 1 26 26 GLN CA C 13 57.144 0.065 . 1 . . . . . 81 GLN CA . 26518 1 315 . 1 . 1 26 26 GLN CB C 13 29.232 0.004 . 1 . . . . . 81 GLN CB . 26518 1 316 . 1 . 1 26 26 GLN CG C 13 35.552 0.027 . 1 . . . . . 81 GLN CG . 26518 1 317 . 1 . 1 26 26 GLN N N 15 125.976 0.041 . 1 . . . . . 81 GLN N . 26518 1 318 . 1 . 1 26 26 GLN NE2 N 15 109.786 0.008 . 1 . . . . . 81 GLN NE2 . 26518 1 319 . 1 . 1 27 27 LYS H H 1 8.057 0.002 . 1 . . . . . 82 LYS H . 26518 1 320 . 1 . 1 27 27 LYS HA H 1 3.935 0.002 . 1 . . . . . 82 LYS HA . 26518 1 321 . 1 . 1 27 27 LYS HB2 H 1 1.801 0.015 . 2 . . . . . 82 LYS HB2 . 26518 1 322 . 1 . 1 27 27 LYS HB3 H 1 1.653 0.020 . 2 . . . . . 82 LYS HB3 . 26518 1 323 . 1 . 1 27 27 LYS HG2 H 1 1.352 0.015 . 2 . . . . . 82 LYS HG2 . 26518 1 324 . 1 . 1 27 27 LYS HG3 H 1 1.324 0.015 . 2 . . . . . 82 LYS HG3 . 26518 1 325 . 1 . 1 27 27 LYS HD2 H 1 1.605 0.005 . 2 . . . . . 82 LYS HD2 . 26518 1 326 . 1 . 1 27 27 LYS HD3 H 1 1.605 0.005 . 2 . . . . . 82 LYS HD3 . 26518 1 327 . 1 . 1 27 27 LYS HE2 H 1 2.924 0.015 . 2 . . . . . 82 LYS HE2 . 26518 1 328 . 1 . 1 27 27 LYS HE3 H 1 2.924 0.015 . 2 . . . . . 82 LYS HE3 . 26518 1 329 . 1 . 1 27 27 LYS C C 13 177.207 0.000 . 1 . . . . . 82 LYS C . 26518 1 330 . 1 . 1 27 27 LYS CA C 13 58.024 0.075 . 1 . . . . . 82 LYS CA . 26518 1 331 . 1 . 1 27 27 LYS CB C 13 31.815 0.164 . 1 . . . . . 82 LYS CB . 26518 1 332 . 1 . 1 27 27 LYS CG C 13 25.498 0.003 . 1 . . . . . 82 LYS CG . 26518 1 333 . 1 . 1 27 27 LYS CD C 13 29.105 0.057 . 1 . . . . . 82 LYS CD . 26518 1 334 . 1 . 1 27 27 LYS CE C 13 42.085 0.150 . 1 . . . . . 82 LYS CE . 26518 1 335 . 1 . 1 27 27 LYS N N 15 116.179 0.006 . 1 . . . . . 82 LYS N . 26518 1 336 . 1 . 1 28 28 GLU H H 1 7.461 0.002 . 1 . . . . . 83 GLU H . 26518 1 337 . 1 . 1 28 28 GLU HA H 1 4.098 0.003 . 1 . . . . . 83 GLU HA . 26518 1 338 . 1 . 1 28 28 GLU HB2 H 1 2.368 0.015 . 2 . . . . . 83 GLU HB2 . 26518 1 339 . 1 . 1 28 28 GLU HB3 H 1 2.368 0.015 . 2 . . . . . 83 GLU HB3 . 26518 1 340 . 1 . 1 28 28 GLU HG2 H 1 2.502 0.010 . 2 . . . . . 83 GLU HG2 . 26518 1 341 . 1 . 1 28 28 GLU HG3 H 1 2.369 0.007 . 2 . . . . . 83 GLU HG3 . 26518 1 342 . 1 . 1 28 28 GLU C C 13 177.469 0.000 . 1 . . . . . 83 GLU C . 26518 1 343 . 1 . 1 28 28 GLU CA C 13 56.951 0.150 . 1 . . . . . 83 GLU CA . 26518 1 344 . 1 . 1 28 28 GLU CB C 13 31.079 0.068 . 1 . . . . . 83 GLU CB . 26518 1 345 . 1 . 1 28 28 GLU CG C 13 36.951 0.151 . 1 . . . . . 83 GLU CG . 26518 1 346 . 1 . 1 28 28 GLU N N 15 117.055 0.005 . 1 . . . . . 83 GLU N . 26518 1 347 . 1 . 1 29 29 ILE H H 1 7.155 0.004 . 1 . . . . . 84 ILE H . 26518 1 348 . 1 . 1 29 29 ILE HA H 1 3.997 0.008 . 1 . . . . . 84 ILE HA . 26518 1 349 . 1 . 1 29 29 ILE HB H 1 1.748 0.006 . 1 . . . . . 84 ILE HB . 26518 1 350 . 1 . 1 29 29 ILE HG12 H 1 1.367 0.015 . 2 . . . . . 84 ILE HG12 . 26518 1 351 . 1 . 1 29 29 ILE HG13 H 1 1.222 0.002 . 2 . . . . . 84 ILE HG13 . 26518 1 352 . 1 . 1 29 29 ILE HG21 H 1 0.831 0.001 . 1 . . . . . 84 ILE QG2 . 26518 1 353 . 1 . 1 29 29 ILE HG22 H 1 0.831 0.001 . 1 . . . . . 84 ILE QG2 . 26518 1 354 . 1 . 1 29 29 ILE HG23 H 1 0.831 0.001 . 1 . . . . . 84 ILE QG2 . 26518 1 355 . 1 . 1 29 29 ILE HD11 H 1 0.744 0.001 . 1 . . . . . 84 ILE QD1 . 26518 1 356 . 1 . 1 29 29 ILE HD12 H 1 0.744 0.001 . 1 . . . . . 84 ILE QD1 . 26518 1 357 . 1 . 1 29 29 ILE HD13 H 1 0.744 0.001 . 1 . . . . . 84 ILE QD1 . 26518 1 358 . 1 . 1 29 29 ILE C C 13 176.487 0.000 . 1 . . . . . 84 ILE C . 26518 1 359 . 1 . 1 29 29 ILE CA C 13 62.732 0.104 . 1 . . . . . 84 ILE CA . 26518 1 360 . 1 . 1 29 29 ILE CB C 13 39.415 0.012 . 1 . . . . . 84 ILE CB . 26518 1 361 . 1 . 1 29 29 ILE CG1 C 13 26.293 0.081 . 1 . . . . . 84 ILE CG1 . 26518 1 362 . 1 . 1 29 29 ILE CG2 C 13 17.628 0.003 . 1 . . . . . 84 ILE CG2 . 26518 1 363 . 1 . 1 29 29 ILE CD1 C 13 15.568 0.010 . 1 . . . . . 84 ILE CD1 . 26518 1 364 . 1 . 1 29 29 ILE N N 15 116.781 0.150 . 1 . . . . . 84 ILE N . 26518 1 365 . 1 . 1 30 30 SER H H 1 8.571 0.003 . 1 . . . . . 85 SER H . 26518 1 366 . 1 . 1 30 30 SER HA H 1 4.532 0.002 . 1 . . . . . 85 SER HA . 26518 1 367 . 1 . 1 30 30 SER HB2 H 1 3.986 0.003 . 2 . . . . . 85 SER HB2 . 26518 1 368 . 1 . 1 30 30 SER HB3 H 1 3.986 0.003 . 2 . . . . . 85 SER HB3 . 26518 1 369 . 1 . 1 30 30 SER C C 13 174.939 0.000 . 1 . . . . . 85 SER C . 26518 1 370 . 1 . 1 30 30 SER CA C 13 56.769 0.073 . 1 . . . . . 85 SER CA . 26518 1 371 . 1 . 1 30 30 SER CB C 13 62.067 0.150 . 1 . . . . . 85 SER CB . 26518 1 372 . 1 . 1 30 30 SER N N 15 117.244 0.056 . 1 . . . . . 85 SER N . 26518 1 373 . 1 . 1 31 31 MET H H 1 8.473 0.003 . 1 . . . . . 86 MET H . 26518 1 374 . 1 . 1 31 31 MET HA H 1 4.440 0.001 . 1 . . . . . 86 MET HA . 26518 1 375 . 1 . 1 31 31 MET HB2 H 1 2.183 0.006 . 2 . . . . . 86 MET HB2 . 26518 1 376 . 1 . 1 31 31 MET HB3 H 1 2.183 0.006 . 2 . . . . . 86 MET HB3 . 26518 1 377 . 1 . 1 31 31 MET HG2 H 1 2.758 0.002 . 2 . . . . . 86 MET HG2 . 26518 1 378 . 1 . 1 31 31 MET HG3 H 1 2.530 0.003 . 2 . . . . . 86 MET HG3 . 26518 1 379 . 1 . 1 31 31 MET C C 13 179.010 0.000 . 1 . . . . . 86 MET C . 26518 1 380 . 1 . 1 31 31 MET CA C 13 56.395 0.093 . 1 . . . . . 86 MET CA . 26518 1 381 . 1 . 1 31 31 MET CB C 13 30.563 0.010 . 1 . . . . . 86 MET CB . 26518 1 382 . 1 . 1 31 31 MET CG C 13 33.142 0.040 . 1 . . . . . 86 MET CG . 26518 1 383 . 1 . 1 31 31 MET N N 15 130.758 0.010 . 1 . . . . . 86 MET N . 26518 1 384 . 1 . 1 32 32 THR H H 1 8.078 0.007 . 1 . . . . . 87 THR H . 26518 1 385 . 1 . 1 32 32 THR HA H 1 3.909 0.003 . 1 . . . . . 87 THR HA . 26518 1 386 . 1 . 1 32 32 THR HB H 1 4.072 0.007 . 1 . . . . . 87 THR HB . 26518 1 387 . 1 . 1 32 32 THR HG21 H 1 1.242 0.001 . 1 . . . . . 87 THR QG2 . 26518 1 388 . 1 . 1 32 32 THR HG22 H 1 1.242 0.001 . 1 . . . . . 87 THR QG2 . 26518 1 389 . 1 . 1 32 32 THR HG23 H 1 1.242 0.001 . 1 . . . . . 87 THR QG2 . 26518 1 390 . 1 . 1 32 32 THR C C 13 177.061 0.000 . 1 . . . . . 87 THR C . 26518 1 391 . 1 . 1 32 32 THR CA C 13 65.796 0.228 . 1 . . . . . 87 THR CA . 26518 1 392 . 1 . 1 32 32 THR CB C 13 68.207 0.058 . 1 . . . . . 87 THR CB . 26518 1 393 . 1 . 1 32 32 THR CG2 C 13 22.221 0.058 . 1 . . . . . 87 THR CG2 . 26518 1 394 . 1 . 1 32 32 THR N N 15 113.451 0.008 . 1 . . . . . 87 THR N . 26518 1 395 . 1 . 1 33 33 THR H H 1 7.478 0.005 . 1 . . . . . 88 THR H . 26518 1 396 . 1 . 1 33 33 THR HA H 1 4.019 0.007 . 1 . . . . . 88 THR HA . 26518 1 397 . 1 . 1 33 33 THR HB H 1 4.271 0.007 . 1 . . . . . 88 THR HB . 26518 1 398 . 1 . 1 33 33 THR HG21 H 1 1.269 0.015 . 1 . . . . . 88 THR QG2 . 26518 1 399 . 1 . 1 33 33 THR HG22 H 1 1.269 0.015 . 1 . . . . . 88 THR QG2 . 26518 1 400 . 1 . 1 33 33 THR HG23 H 1 1.269 0.015 . 1 . . . . . 88 THR QG2 . 26518 1 401 . 1 . 1 33 33 THR C C 13 176.395 0.000 . 1 . . . . . 88 THR C . 26518 1 402 . 1 . 1 33 33 THR CA C 13 66.540 0.150 . 1 . . . . . 88 THR CA . 26518 1 403 . 1 . 1 33 33 THR CB C 13 68.381 0.004 . 1 . . . . . 88 THR CB . 26518 1 404 . 1 . 1 33 33 THR CG2 C 13 22.019 0.028 . 1 . . . . . 88 THR CG2 . 26518 1 405 . 1 . 1 33 33 THR N N 15 119.520 0.005 . 1 . . . . . 88 THR N . 26518 1 406 . 1 . 1 34 34 VAL H H 1 7.543 0.015 . 1 . . . . . 89 VAL H . 26518 1 407 . 1 . 1 34 34 VAL HA H 1 3.407 0.002 . 1 . . . . . 89 VAL HA . 26518 1 408 . 1 . 1 34 34 VAL HB H 1 2.374 0.004 . 1 . . . . . 89 VAL HB . 26518 1 409 . 1 . 1 34 34 VAL HG11 H 1 0.992 0.002 . 2 . . . . . 89 VAL QG1 . 26518 1 410 . 1 . 1 34 34 VAL HG12 H 1 0.992 0.002 . 2 . . . . . 89 VAL QG1 . 26518 1 411 . 1 . 1 34 34 VAL HG13 H 1 0.992 0.002 . 2 . . . . . 89 VAL QG1 . 26518 1 412 . 1 . 1 34 34 VAL HG21 H 1 0.784 0.005 . 2 . . . . . 89 VAL QG2 . 26518 1 413 . 1 . 1 34 34 VAL HG22 H 1 0.784 0.005 . 2 . . . . . 89 VAL QG2 . 26518 1 414 . 1 . 1 34 34 VAL HG23 H 1 0.784 0.005 . 2 . . . . . 89 VAL QG2 . 26518 1 415 . 1 . 1 34 34 VAL C C 13 177.123 0.000 . 1 . . . . . 89 VAL C . 26518 1 416 . 1 . 1 34 34 VAL CA C 13 68.109 0.019 . 1 . . . . . 89 VAL CA . 26518 1 417 . 1 . 1 34 34 VAL CB C 13 31.017 0.011 . 1 . . . . . 89 VAL CB . 26518 1 418 . 1 . 1 34 34 VAL CG1 C 13 21.971 0.014 . 1 . . . . . 89 VAL CG1 . 26518 1 419 . 1 . 1 34 34 VAL CG2 C 13 22.943 0.150 . 1 . . . . . 89 VAL CG2 . 26518 1 420 . 1 . 1 34 34 VAL N N 15 120.507 0.012 . 1 . . . . . 89 VAL N . 26518 1 421 . 1 . 1 35 35 LYS H H 1 7.967 0.009 . 1 . . . . . 90 LYS H . 26518 1 422 . 1 . 1 35 35 LYS HA H 1 4.030 0.007 . 1 . . . . . 90 LYS HA . 26518 1 423 . 1 . 1 35 35 LYS HB2 H 1 1.825 0.001 . 2 . . . . . 90 LYS HB2 . 26518 1 424 . 1 . 1 35 35 LYS HB3 H 1 1.740 0.002 . 2 . . . . . 90 LYS HB3 . 26518 1 425 . 1 . 1 35 35 LYS HG2 H 1 1.153 0.003 . 2 . . . . . 90 LYS HG2 . 26518 1 426 . 1 . 1 35 35 LYS HG3 H 1 1.057 0.015 . 2 . . . . . 90 LYS HG3 . 26518 1 427 . 1 . 1 35 35 LYS HD2 H 1 1.253 0.008 . 2 . . . . . 90 LYS HD2 . 26518 1 428 . 1 . 1 35 35 LYS HD3 H 1 1.253 0.008 . 2 . . . . . 90 LYS HD3 . 26518 1 429 . 1 . 1 35 35 LYS HE2 H 1 2.543 0.004 . 2 . . . . . 90 LYS HE2 . 26518 1 430 . 1 . 1 35 35 LYS HE3 H 1 2.432 0.004 . 2 . . . . . 90 LYS HE3 . 26518 1 431 . 1 . 1 35 35 LYS C C 13 177.384 0.000 . 1 . . . . . 90 LYS C . 26518 1 432 . 1 . 1 35 35 LYS CA C 13 58.910 0.047 . 1 . . . . . 90 LYS CA . 26518 1 433 . 1 . 1 35 35 LYS CB C 13 32.522 0.049 . 1 . . . . . 90 LYS CB . 26518 1 434 . 1 . 1 35 35 LYS CG C 13 25.454 0.043 . 1 . . . . . 90 LYS CG . 26518 1 435 . 1 . 1 35 35 LYS CD C 13 29.112 0.110 . 1 . . . . . 90 LYS CD . 26518 1 436 . 1 . 1 35 35 LYS CE C 13 41.693 0.089 . 1 . . . . . 90 LYS CE . 26518 1 437 . 1 . 1 35 35 LYS N N 15 116.837 0.150 . 1 . . . . . 90 LYS N . 26518 1 438 . 1 . 1 36 36 GLU H H 1 7.288 0.009 . 1 . . . . . 91 GLU H . 26518 1 439 . 1 . 1 36 36 GLU HA H 1 4.200 0.003 . 1 . . . . . 91 GLU HA . 26518 1 440 . 1 . 1 36 36 GLU HB2 H 1 2.269 0.006 . 2 . . . . . 91 GLU HB2 . 26518 1 441 . 1 . 1 36 36 GLU HB3 H 1 2.188 0.002 . 2 . . . . . 91 GLU HB3 . 26518 1 442 . 1 . 1 36 36 GLU HG2 H 1 2.483 0.007 . 2 . . . . . 91 GLU HG2 . 26518 1 443 . 1 . 1 36 36 GLU HG3 H 1 2.314 0.004 . 2 . . . . . 91 GLU HG3 . 26518 1 444 . 1 . 1 36 36 GLU C C 13 178.125 0.000 . 1 . . . . . 91 GLU C . 26518 1 445 . 1 . 1 36 36 GLU CA C 13 57.740 0.058 . 1 . . . . . 91 GLU CA . 26518 1 446 . 1 . 1 36 36 GLU CB C 13 29.920 0.020 . 1 . . . . . 91 GLU CB . 26518 1 447 . 1 . 1 36 36 GLU CG C 13 35.981 0.025 . 1 . . . . . 91 GLU CG . 26518 1 448 . 1 . 1 36 36 GLU N N 15 115.269 0.005 . 1 . . . . . 91 GLU N . 26518 1 449 . 1 . 1 37 37 LEU H H 1 7.654 0.005 . 1 . . . . . 92 LEU H . 26518 1 450 . 1 . 1 37 37 LEU HA H 1 4.570 0.015 . 1 . . . . . 92 LEU HA . 26518 1 451 . 1 . 1 37 37 LEU HB2 H 1 1.945 0.014 . 2 . . . . . 92 LEU HB2 . 26518 1 452 . 1 . 1 37 37 LEU HB3 H 1 1.760 0.007 . 2 . . . . . 92 LEU HB3 . 26518 1 453 . 1 . 1 37 37 LEU HG H 1 2.058 0.012 . 1 . . . . . 92 LEU HG . 26518 1 454 . 1 . 1 37 37 LEU HD11 H 1 0.886 0.012 . 2 . . . . . 92 LEU QD1 . 26518 1 455 . 1 . 1 37 37 LEU HD12 H 1 0.886 0.012 . 2 . . . . . 92 LEU QD1 . 26518 1 456 . 1 . 1 37 37 LEU HD13 H 1 0.886 0.012 . 2 . . . . . 92 LEU QD1 . 26518 1 457 . 1 . 1 37 37 LEU HD21 H 1 1.011 0.015 . 2 . . . . . 92 LEU QD2 . 26518 1 458 . 1 . 1 37 37 LEU HD22 H 1 1.011 0.015 . 2 . . . . . 92 LEU QD2 . 26518 1 459 . 1 . 1 37 37 LEU HD23 H 1 1.011 0.015 . 2 . . . . . 92 LEU QD2 . 26518 1 460 . 1 . 1 37 37 LEU C C 13 175.162 0.000 . 1 . . . . . 92 LEU C . 26518 1 461 . 1 . 1 37 37 LEU CA C 13 55.206 0.088 . 1 . . . . . 92 LEU CA . 26518 1 462 . 1 . 1 37 37 LEU CB C 13 44.856 0.109 . 1 . . . . . 92 LEU CB . 26518 1 463 . 1 . 1 37 37 LEU CG C 13 26.145 0.040 . 1 . . . . . 92 LEU CG . 26518 1 464 . 1 . 1 37 37 LEU CD1 C 13 26.262 0.150 . 1 . . . . . 92 LEU CD1 . 26518 1 465 . 1 . 1 37 37 LEU CD2 C 13 22.294 0.150 . 1 . . . . . 92 LEU CD2 . 26518 1 466 . 1 . 1 37 37 LEU N N 15 117.601 0.008 . 1 . . . . . 92 LEU N . 26518 1 467 . 1 . 1 38 38 ALA H H 1 7.950 0.001 . 1 . . . . . 93 ALA H . 26518 1 468 . 1 . 1 38 38 ALA HA H 1 5.458 0.003 . 1 . . . . . 93 ALA HA . 26518 1 469 . 1 . 1 38 38 ALA HB1 H 1 1.340 0.006 . 1 . . . . . 93 ALA HB . 26518 1 470 . 1 . 1 38 38 ALA HB2 H 1 1.340 0.006 . 1 . . . . . 93 ALA HB . 26518 1 471 . 1 . 1 38 38 ALA HB3 H 1 1.340 0.006 . 1 . . . . . 93 ALA HB . 26518 1 472 . 1 . 1 38 38 ALA C C 13 176.695 0.000 . 1 . . . . . 93 ALA C . 26518 1 473 . 1 . 1 38 38 ALA CA C 13 50.518 0.014 . 1 . . . . . 93 ALA CA . 26518 1 474 . 1 . 1 38 38 ALA CB C 13 22.904 0.060 . 1 . . . . . 93 ALA CB . 26518 1 475 . 1 . 1 38 38 ALA N N 15 120.245 0.150 . 1 . . . . . 93 ALA N . 26518 1 476 . 1 . 1 39 39 THR H H 1 8.329 0.007 . 1 . . . . . 94 THR H . 26518 1 477 . 1 . 1 39 39 THR HA H 1 4.413 0.002 . 1 . . . . . 94 THR HA . 26518 1 478 . 1 . 1 39 39 THR HB H 1 4.740 0.006 . 1 . . . . . 94 THR HB . 26518 1 479 . 1 . 1 39 39 THR HG21 H 1 1.289 0.005 . 1 . . . . . 94 THR QG2 . 26518 1 480 . 1 . 1 39 39 THR HG22 H 1 1.289 0.005 . 1 . . . . . 94 THR QG2 . 26518 1 481 . 1 . 1 39 39 THR HG23 H 1 1.289 0.005 . 1 . . . . . 94 THR QG2 . 26518 1 482 . 1 . 1 39 39 THR C C 13 176.537 0.000 . 1 . . . . . 94 THR C . 26518 1 483 . 1 . 1 39 39 THR CA C 13 61.683 0.167 . 1 . . . . . 94 THR CA . 26518 1 484 . 1 . 1 39 39 THR CB C 13 70.416 0.047 . 1 . . . . . 94 THR CB . 26518 1 485 . 1 . 1 39 39 THR CG2 C 13 24.373 0.016 . 1 . . . . . 94 THR CG2 . 26518 1 486 . 1 . 1 39 39 THR N N 15 109.180 0.003 . 1 . . . . . 94 THR N . 26518 1 487 . 1 . 1 40 40 ASP H H 1 8.797 0.008 . 1 . . . . . 95 ASP H . 26518 1 488 . 1 . 1 40 40 ASP HA H 1 4.287 0.015 . 1 . . . . . 95 ASP HA . 26518 1 489 . 1 . 1 40 40 ASP HB2 H 1 2.699 0.001 . 2 . . . . . 95 ASP HB2 . 26518 1 490 . 1 . 1 40 40 ASP HB3 H 1 2.699 0.001 . 2 . . . . . 95 ASP HB3 . 26518 1 491 . 1 . 1 40 40 ASP C C 13 177.231 0.000 . 1 . . . . . 95 ASP C . 26518 1 492 . 1 . 1 40 40 ASP CA C 13 58.058 0.014 . 1 . . . . . 95 ASP CA . 26518 1 493 . 1 . 1 40 40 ASP CB C 13 40.963 0.150 . 1 . . . . . 95 ASP CB . 26518 1 494 . 1 . 1 40 40 ASP N N 15 119.951 0.150 . 1 . . . . . 95 ASP N . 26518 1 495 . 1 . 1 41 41 ASN H H 1 8.848 0.015 . 1 . . . . . 96 ASN H . 26518 1 496 . 1 . 1 41 41 ASN HA H 1 4.411 0.001 . 1 . . . . . 96 ASN HA . 26518 1 497 . 1 . 1 41 41 ASN HB2 H 1 2.805 0.010 . 2 . . . . . 96 ASN HB2 . 26518 1 498 . 1 . 1 41 41 ASN HB3 H 1 2.805 0.010 . 2 . . . . . 96 ASN HB3 . 26518 1 499 . 1 . 1 41 41 ASN HD21 H 1 8.057 0.015 . 2 . . . . . 96 ASN HD21 . 26518 1 500 . 1 . 1 41 41 ASN HD22 H 1 7.393 0.015 . 2 . . . . . 96 ASN HD22 . 26518 1 501 . 1 . 1 41 41 ASN C C 13 177.018 0.000 . 1 . . . . . 96 ASN C . 26518 1 502 . 1 . 1 41 41 ASN CA C 13 56.985 0.075 . 1 . . . . . 96 ASN CA . 26518 1 503 . 1 . 1 41 41 ASN CB C 13 36.585 0.136 . 1 . . . . . 96 ASN CB . 26518 1 504 . 1 . 1 41 41 ASN N N 15 115.593 0.009 . 1 . . . . . 96 ASN N . 26518 1 505 . 1 . 1 41 41 ASN ND2 N 15 117.733 0.005 . 1 . . . . . 96 ASN ND2 . 26518 1 506 . 1 . 1 42 42 VAL H H 1 6.982 0.002 . 1 . . . . . 97 VAL H . 26518 1 507 . 1 . 1 42 42 VAL HA H 1 3.729 0.015 . 1 . . . . . 97 VAL HA . 26518 1 508 . 1 . 1 42 42 VAL HB H 1 2.110 0.015 . 1 . . . . . 97 VAL HB . 26518 1 509 . 1 . 1 42 42 VAL HG11 H 1 0.745 0.002 . 2 . . . . . 97 VAL QG1 . 26518 1 510 . 1 . 1 42 42 VAL HG12 H 1 0.745 0.002 . 2 . . . . . 97 VAL QG1 . 26518 1 511 . 1 . 1 42 42 VAL HG13 H 1 0.745 0.002 . 2 . . . . . 97 VAL QG1 . 26518 1 512 . 1 . 1 42 42 VAL HG21 H 1 0.746 0.015 . 2 . . . . . 97 VAL QG2 . 26518 1 513 . 1 . 1 42 42 VAL HG22 H 1 0.746 0.015 . 2 . . . . . 97 VAL QG2 . 26518 1 514 . 1 . 1 42 42 VAL HG23 H 1 0.746 0.015 . 2 . . . . . 97 VAL QG2 . 26518 1 515 . 1 . 1 42 42 VAL C C 13 178.577 0.000 . 1 . . . . . 97 VAL C . 26518 1 516 . 1 . 1 42 42 VAL CA C 13 65.641 0.150 . 1 . . . . . 97 VAL CA . 26518 1 517 . 1 . 1 42 42 VAL CB C 13 31.983 0.150 . 1 . . . . . 97 VAL CB . 26518 1 518 . 1 . 1 42 42 VAL CG1 C 13 20.934 0.046 . 1 . . . . . 97 VAL CG1 . 26518 1 519 . 1 . 1 42 42 VAL CG2 C 13 22.229 0.015 . 1 . . . . . 97 VAL CG2 . 26518 1 520 . 1 . 1 42 42 VAL N N 15 122.066 0.005 . 1 . . . . . 97 VAL N . 26518 1 521 . 1 . 1 43 43 TYR H H 1 8.193 0.003 . 1 . . . . . 98 TYR H . 26518 1 522 . 1 . 1 43 43 TYR HA H 1 3.899 0.005 . 1 . . . . . 98 TYR HA . 26518 1 523 . 1 . 1 43 43 TYR HB2 H 1 3.245 0.006 . 2 . . . . . 98 TYR HB2 . 26518 1 524 . 1 . 1 43 43 TYR HB3 H 1 2.893 0.008 . 2 . . . . . 98 TYR HB3 . 26518 1 525 . 1 . 1 43 43 TYR HD1 H 1 6.908 0.009 . 1 . . . . . 98 TYR HD1 . 26518 1 526 . 1 . 1 43 43 TYR HD2 H 1 6.908 0.009 . 1 . . . . . 98 TYR HD2 . 26518 1 527 . 1 . 1 43 43 TYR HE1 H 1 6.895 0.006 . 1 . . . . . 98 TYR HE1 . 26518 1 528 . 1 . 1 43 43 TYR HE2 H 1 6.895 0.006 . 1 . . . . . 98 TYR HE2 . 26518 1 529 . 1 . 1 43 43 TYR C C 13 176.580 0.000 . 1 . . . . . 98 TYR C . 26518 1 530 . 1 . 1 43 43 TYR CA C 13 61.722 0.150 . 1 . . . . . 98 TYR CA . 26518 1 531 . 1 . 1 43 43 TYR CB C 13 38.724 0.063 . 1 . . . . . 98 TYR CB . 26518 1 532 . 1 . 1 43 43 TYR CD1 C 13 133.189 0.068 . 1 . . . . . 98 TYR CD1 . 26518 1 533 . 1 . 1 43 43 TYR CD2 C 13 133.189 0.068 . 1 . . . . . 98 TYR CD2 . 26518 1 534 . 1 . 1 43 43 TYR CE1 C 13 118.661 0.075 . 1 . . . . . 98 TYR CE1 . 26518 1 535 . 1 . 1 43 43 TYR CE2 C 13 118.661 0.075 . 1 . . . . . 98 TYR CE2 . 26518 1 536 . 1 . 1 43 43 TYR N N 15 121.565 0.020 . 1 . . . . . 98 TYR N . 26518 1 537 . 1 . 1 44 44 GLN H H 1 8.971 0.003 . 1 . . . . . 99 GLN H . 26518 1 538 . 1 . 1 44 44 GLN HA H 1 3.803 0.002 . 1 . . . . . 99 GLN HA . 26518 1 539 . 1 . 1 44 44 GLN HB2 H 1 2.155 0.005 . 2 . . . . . 99 GLN HB2 . 26518 1 540 . 1 . 1 44 44 GLN HB3 H 1 2.127 0.008 . 2 . . . . . 99 GLN HB3 . 26518 1 541 . 1 . 1 44 44 GLN HG2 H 1 2.529 0.002 . 2 . . . . . 99 GLN HG2 . 26518 1 542 . 1 . 1 44 44 GLN HG3 H 1 2.529 0.002 . 2 . . . . . 99 GLN HG3 . 26518 1 543 . 1 . 1 44 44 GLN HE21 H 1 7.636 0.015 . 2 . . . . . 99 GLN HE21 . 26518 1 544 . 1 . 1 44 44 GLN HE22 H 1 6.839 0.001 . 2 . . . . . 99 GLN HE22 . 26518 1 545 . 1 . 1 44 44 GLN C C 13 178.805 0.000 . 1 . . . . . 99 GLN C . 26518 1 546 . 1 . 1 44 44 GLN CA C 13 58.737 0.004 . 1 . . . . . 99 GLN CA . 26518 1 547 . 1 . 1 44 44 GLN CB C 13 28.066 0.083 . 1 . . . . . 99 GLN CB . 26518 1 548 . 1 . 1 44 44 GLN CG C 13 33.841 0.022 . 1 . . . . . 99 GLN CG . 26518 1 549 . 1 . 1 44 44 GLN N N 15 119.013 0.006 . 1 . . . . . 99 GLN N . 26518 1 550 . 1 . 1 44 44 GLN NE2 N 15 112.495 0.015 . 1 . . . . . 99 GLN NE2 . 26518 1 551 . 1 . 1 45 45 GLU H H 1 7.719 0.006 . 1 . . . . . 100 GLU H . 26518 1 552 . 1 . 1 45 45 GLU HA H 1 4.041 0.005 . 1 . . . . . 100 GLU HA . 26518 1 553 . 1 . 1 45 45 GLU HB2 H 1 2.161 0.002 . 2 . . . . . 100 GLU HB2 . 26518 1 554 . 1 . 1 45 45 GLU HB3 H 1 2.079 0.001 . 2 . . . . . 100 GLU HB3 . 26518 1 555 . 1 . 1 45 45 GLU HG2 H 1 2.527 0.017 . 2 . . . . . 100 GLU HG2 . 26518 1 556 . 1 . 1 45 45 GLU HG3 H 1 2.323 0.015 . 2 . . . . . 100 GLU HG3 . 26518 1 557 . 1 . 1 45 45 GLU C C 13 179.393 0.000 . 1 . . . . . 100 GLU C . 26518 1 558 . 1 . 1 45 45 GLU CA C 13 59.397 0.047 . 1 . . . . . 100 GLU CA . 26518 1 559 . 1 . 1 45 45 GLU CB C 13 29.463 0.095 . 1 . . . . . 100 GLU CB . 26518 1 560 . 1 . 1 45 45 GLU CG C 13 36.658 0.112 . 1 . . . . . 100 GLU CG . 26518 1 561 . 1 . 1 45 45 GLU N N 15 119.311 0.039 . 1 . . . . . 100 GLU N . 26518 1 562 . 1 . 1 46 46 LEU H H 1 7.697 0.011 . 1 . . . . . 101 LEU H . 26518 1 563 . 1 . 1 46 46 LEU HA H 1 4.146 0.003 . 1 . . . . . 101 LEU HA . 26518 1 564 . 1 . 1 46 46 LEU HB2 H 1 1.828 0.006 . 2 . . . . . 101 LEU HB2 . 26518 1 565 . 1 . 1 46 46 LEU HB3 H 1 1.420 0.004 . 2 . . . . . 101 LEU HB3 . 26518 1 566 . 1 . 1 46 46 LEU HG H 1 1.390 0.010 . 1 . . . . . 101 LEU HG . 26518 1 567 . 1 . 1 46 46 LEU HD11 H 1 0.720 0.007 . 2 . . . . . 101 LEU QD1 . 26518 1 568 . 1 . 1 46 46 LEU HD12 H 1 0.720 0.007 . 2 . . . . . 101 LEU QD1 . 26518 1 569 . 1 . 1 46 46 LEU HD13 H 1 0.720 0.007 . 2 . . . . . 101 LEU QD1 . 26518 1 570 . 1 . 1 46 46 LEU HD21 H 1 0.702 0.008 . 2 . . . . . 101 LEU QD2 . 26518 1 571 . 1 . 1 46 46 LEU HD22 H 1 0.702 0.008 . 2 . . . . . 101 LEU QD2 . 26518 1 572 . 1 . 1 46 46 LEU HD23 H 1 0.702 0.008 . 2 . . . . . 101 LEU QD2 . 26518 1 573 . 1 . 1 46 46 LEU C C 13 177.767 0.000 . 1 . . . . . 101 LEU C . 26518 1 574 . 1 . 1 46 46 LEU CA C 13 57.476 0.010 . 1 . . . . . 101 LEU CA . 26518 1 575 . 1 . 1 46 46 LEU CB C 13 41.436 0.040 . 1 . . . . . 101 LEU CB . 26518 1 576 . 1 . 1 46 46 LEU CG C 13 27.359 0.253 . 1 . . . . . 101 LEU CG . 26518 1 577 . 1 . 1 46 46 LEU CD1 C 13 23.616 0.019 . 1 . . . . . 101 LEU CD1 . 26518 1 578 . 1 . 1 46 46 LEU CD2 C 13 27.829 0.027 . 1 . . . . . 101 LEU CD2 . 26518 1 579 . 1 . 1 46 46 LEU N N 15 121.919 0.019 . 1 . . . . . 101 LEU N . 26518 1 580 . 1 . 1 47 47 GLN H H 1 8.303 0.003 . 1 . . . . . 102 GLN H . 26518 1 581 . 1 . 1 47 47 GLN HA H 1 3.726 0.007 . 1 . . . . . 102 GLN HA . 26518 1 582 . 1 . 1 47 47 GLN HB2 H 1 1.926 0.003 . 2 . . . . . 102 GLN HB2 . 26518 1 583 . 1 . 1 47 47 GLN HB3 H 1 1.826 0.005 . 2 . . . . . 102 GLN HB3 . 26518 1 584 . 1 . 1 47 47 GLN HG2 H 1 2.086 0.003 . 2 . . . . . 102 GLN HG2 . 26518 1 585 . 1 . 1 47 47 GLN HG3 H 1 2.086 0.003 . 2 . . . . . 102 GLN HG3 . 26518 1 586 . 1 . 1 47 47 GLN HE21 H 1 6.816 0.015 . 2 . . . . . 102 GLN HE21 . 26518 1 587 . 1 . 1 47 47 GLN HE22 H 1 6.785 0.015 . 2 . . . . . 102 GLN HE22 . 26518 1 588 . 1 . 1 47 47 GLN C C 13 178.290 0.000 . 1 . . . . . 102 GLN C . 26518 1 589 . 1 . 1 47 47 GLN CA C 13 58.876 0.172 . 1 . . . . . 102 GLN CA . 26518 1 590 . 1 . 1 47 47 GLN CB C 13 28.480 0.056 . 1 . . . . . 102 GLN CB . 26518 1 591 . 1 . 1 47 47 GLN CG C 13 34.007 0.059 . 1 . . . . . 102 GLN CG . 26518 1 592 . 1 . 1 47 47 GLN N N 15 118.441 0.003 . 1 . . . . . 102 GLN N . 26518 1 593 . 1 . 1 47 47 GLN NE2 N 15 112.204 0.035 . 1 . . . . . 102 GLN NE2 . 26518 1 594 . 1 . 1 48 48 ASN H H 1 8.073 0.007 . 1 . . . . . 103 ASN H . 26518 1 595 . 1 . 1 48 48 ASN HA H 1 4.409 0.006 . 1 . . . . . 103 ASN HA . 26518 1 596 . 1 . 1 48 48 ASN HB2 H 1 2.875 0.005 . 2 . . . . . 103 ASN HB2 . 26518 1 597 . 1 . 1 48 48 ASN HB3 H 1 2.846 0.017 . 2 . . . . . 103 ASN HB3 . 26518 1 598 . 1 . 1 48 48 ASN HD21 H 1 7.620 0.015 . 2 . . . . . 103 ASN HD21 . 26518 1 599 . 1 . 1 48 48 ASN HD22 H 1 6.867 0.015 . 2 . . . . . 103 ASN HD22 . 26518 1 600 . 1 . 1 48 48 ASN C C 13 176.734 0.000 . 1 . . . . . 103 ASN C . 26518 1 601 . 1 . 1 48 48 ASN CA C 13 56.233 0.150 . 1 . . . . . 103 ASN CA . 26518 1 602 . 1 . 1 48 48 ASN CB C 13 38.081 0.147 . 1 . . . . . 103 ASN CB . 26518 1 603 . 1 . 1 48 48 ASN N N 15 117.030 0.001 . 1 . . . . . 103 ASN N . 26518 1 604 . 1 . 1 48 48 ASN ND2 N 15 111.795 0.010 . 1 . . . . . 103 ASN ND2 . 26518 1 605 . 1 . 1 49 49 GLU H H 1 7.762 0.015 . 1 . . . . . 104 GLU H . 26518 1 606 . 1 . 1 49 49 GLU HA H 1 3.959 0.009 . 1 . . . . . 104 GLU HA . 26518 1 607 . 1 . 1 49 49 GLU HB2 H 1 2.196 0.004 . 2 . . . . . 104 GLU HB2 . 26518 1 608 . 1 . 1 49 49 GLU HB3 H 1 2.196 0.004 . 2 . . . . . 104 GLU HB3 . 26518 1 609 . 1 . 1 49 49 GLU HG2 H 1 2.390 0.002 . 2 . . . . . 104 GLU HG2 . 26518 1 610 . 1 . 1 49 49 GLU HG3 H 1 2.138 0.003 . 2 . . . . . 104 GLU HG3 . 26518 1 611 . 1 . 1 49 49 GLU C C 13 178.568 0.000 . 1 . . . . . 104 GLU C . 26518 1 612 . 1 . 1 49 49 GLU CA C 13 59.433 0.039 . 1 . . . . . 104 GLU CA . 26518 1 613 . 1 . 1 49 49 GLU CB C 13 29.683 0.009 . 1 . . . . . 104 GLU CB . 26518 1 614 . 1 . 1 49 49 GLU CG C 13 35.980 0.054 . 1 . . . . . 104 GLU CG . 26518 1 615 . 1 . 1 49 49 GLU N N 15 121.625 0.007 . 1 . . . . . 104 GLU N . 26518 1 616 . 1 . 1 50 50 ILE H H 1 8.156 0.005 . 1 . . . . . 105 ILE H . 26518 1 617 . 1 . 1 50 50 ILE HA H 1 3.577 0.010 . 1 . . . . . 105 ILE HA . 26518 1 618 . 1 . 1 50 50 ILE HB H 1 1.681 0.004 . 1 . . . . . 105 ILE HB . 26518 1 619 . 1 . 1 50 50 ILE HG12 H 1 1.548 0.004 . 2 . . . . . 105 ILE HG12 . 26518 1 620 . 1 . 1 50 50 ILE HG13 H 1 0.679 0.005 . 2 . . . . . 105 ILE HG13 . 26518 1 621 . 1 . 1 50 50 ILE HG21 H 1 0.655 0.002 . 1 . . . . . 105 ILE QG2 . 26518 1 622 . 1 . 1 50 50 ILE HG22 H 1 0.655 0.002 . 1 . . . . . 105 ILE QG2 . 26518 1 623 . 1 . 1 50 50 ILE HG23 H 1 0.655 0.002 . 1 . . . . . 105 ILE QG2 . 26518 1 624 . 1 . 1 50 50 ILE HD11 H 1 0.592 0.015 . 1 . . . . . 105 ILE QD1 . 26518 1 625 . 1 . 1 50 50 ILE HD12 H 1 0.592 0.015 . 1 . . . . . 105 ILE QD1 . 26518 1 626 . 1 . 1 50 50 ILE HD13 H 1 0.592 0.015 . 1 . . . . . 105 ILE QD1 . 26518 1 627 . 1 . 1 50 50 ILE CA C 13 64.762 0.150 . 1 . . . . . 105 ILE CA . 26518 1 628 . 1 . 1 50 50 ILE CB C 13 38.342 0.044 . 1 . . . . . 105 ILE CB . 26518 1 629 . 1 . 1 50 50 ILE CG1 C 13 28.484 0.185 . 1 . . . . . 105 ILE CG1 . 26518 1 630 . 1 . 1 50 50 ILE CG2 C 13 16.940 0.074 . 1 . . . . . 105 ILE CG2 . 26518 1 631 . 1 . 1 50 50 ILE CD1 C 13 14.392 0.015 . 1 . . . . . 105 ILE CD1 . 26518 1 632 . 1 . 1 50 50 ILE N N 15 118.819 0.150 . 1 . . . . . 105 ILE N . 26518 1 633 . 1 . 1 51 51 ASN H H 1 8.033 0.015 . 1 . . . . . 106 ASN H . 26518 1 634 . 1 . 1 51 51 ASN HA H 1 4.469 0.015 . 1 . . . . . 106 ASN HA . 26518 1 635 . 1 . 1 51 51 ASN HB2 H 1 2.889 0.015 . 2 . . . . . 106 ASN HB2 . 26518 1 636 . 1 . 1 51 51 ASN HB3 H 1 2.822 0.015 . 2 . . . . . 106 ASN HB3 . 26518 1 637 . 1 . 1 51 51 ASN C C 13 177.772 0.000 . 1 . . . . . 106 ASN C . 26518 1 638 . 1 . 1 51 51 ASN CA C 13 55.225 0.150 . 1 . . . . . 106 ASN CA . 26518 1 639 . 1 . 1 51 51 ASN CB C 13 38.237 0.150 . 1 . . . . . 106 ASN CB . 26518 1 640 . 1 . 1 52 52 VAL H H 1 8.115 0.011 . 1 . . . . . 107 VAL H . 26518 1 641 . 1 . 1 52 52 VAL HA H 1 3.811 0.004 . 1 . . . . . 107 VAL HA . 26518 1 642 . 1 . 1 52 52 VAL HB H 1 2.131 0.001 . 1 . . . . . 107 VAL HB . 26518 1 643 . 1 . 1 52 52 VAL HG11 H 1 0.911 0.015 . 2 . . . . . 107 VAL QG1 . 26518 1 644 . 1 . 1 52 52 VAL HG12 H 1 0.911 0.015 . 2 . . . . . 107 VAL QG1 . 26518 1 645 . 1 . 1 52 52 VAL HG13 H 1 0.911 0.015 . 2 . . . . . 107 VAL QG1 . 26518 1 646 . 1 . 1 52 52 VAL HG21 H 1 1.000 0.001 . 2 . . . . . 107 VAL QG2 . 26518 1 647 . 1 . 1 52 52 VAL HG22 H 1 1.000 0.001 . 2 . . . . . 107 VAL QG2 . 26518 1 648 . 1 . 1 52 52 VAL HG23 H 1 1.000 0.001 . 2 . . . . . 107 VAL QG2 . 26518 1 649 . 1 . 1 52 52 VAL C C 13 177.754 0.000 . 1 . . . . . 107 VAL C . 26518 1 650 . 1 . 1 52 52 VAL CA C 13 65.149 0.150 . 1 . . . . . 107 VAL CA . 26518 1 651 . 1 . 1 52 52 VAL CB C 13 31.945 0.034 . 1 . . . . . 107 VAL CB . 26518 1 652 . 1 . 1 52 52 VAL CG1 C 13 21.057 0.002 . 1 . . . . . 107 VAL CG1 . 26518 1 653 . 1 . 1 52 52 VAL CG2 C 13 21.964 0.010 . 1 . . . . . 107 VAL CG2 . 26518 1 654 . 1 . 1 52 52 VAL N N 15 120.474 0.150 . 1 . . . . . 107 VAL N . 26518 1 655 . 1 . 1 53 53 ASN H H 1 8.073 0.015 . 1 . . . . . 108 ASN H . 26518 1 656 . 1 . 1 53 53 ASN HA H 1 4.645 0.007 . 1 . . . . . 108 ASN HA . 26518 1 657 . 1 . 1 53 53 ASN HB2 H 1 2.882 0.003 . 2 . . . . . 108 ASN HB2 . 26518 1 658 . 1 . 1 53 53 ASN HB3 H 1 2.820 0.010 . 2 . . . . . 108 ASN HB3 . 26518 1 659 . 1 . 1 53 53 ASN C C 13 175.644 0.315 . 1 . . . . . 108 ASN C . 26518 1 660 . 1 . 1 53 53 ASN CA C 13 54.465 0.055 . 1 . . . . . 108 ASN CA . 26518 1 661 . 1 . 1 53 53 ASN CB C 13 38.736 0.088 . 1 . . . . . 108 ASN CB . 26518 1 662 . 1 . 1 53 53 ASN N N 15 119.319 0.022 . 1 . . . . . 108 ASN N . 26518 1 663 . 1 . 1 54 54 ASN H H 1 8.000 0.002 . 1 . . . . . 109 ASN H . 26518 1 664 . 1 . 1 54 54 ASN HA H 1 4.755 0.017 . 1 . . . . . 109 ASN HA . 26518 1 665 . 1 . 1 54 54 ASN HB2 H 1 2.800 0.007 . 2 . . . . . 109 ASN HB2 . 26518 1 666 . 1 . 1 54 54 ASN HB3 H 1 2.726 0.001 . 2 . . . . . 109 ASN HB3 . 26518 1 667 . 1 . 1 54 54 ASN HD21 H 1 7.822 0.015 . 2 . . . . . 109 ASN HD21 . 26518 1 668 . 1 . 1 54 54 ASN HD22 H 1 6.861 0.015 . 2 . . . . . 109 ASN HD22 . 26518 1 669 . 1 . 1 54 54 ASN C C 13 174.871 0.000 . 1 . . . . . 109 ASN C . 26518 1 670 . 1 . 1 54 54 ASN CA C 13 53.839 0.006 . 1 . . . . . 109 ASN CA . 26518 1 671 . 1 . 1 54 54 ASN CB C 13 39.227 0.120 . 1 . . . . . 109 ASN CB . 26518 1 672 . 1 . 1 54 54 ASN N N 15 118.300 0.081 . 1 . . . . . 109 ASN N . 26518 1 673 . 1 . 1 54 54 ASN ND2 N 15 113.550 0.018 . 1 . . . . . 109 ASN ND2 . 26518 1 674 . 1 . 1 55 55 SER H H 1 7.938 0.015 . 1 . . . . . 110 SER H . 26518 1 675 . 1 . 1 55 55 SER HA H 1 4.358 0.001 . 1 . . . . . 110 SER HA . 26518 1 676 . 1 . 1 55 55 SER HB2 H 1 3.817 0.015 . 2 . . . . . 110 SER HB2 . 26518 1 677 . 1 . 1 55 55 SER HB3 H 1 3.817 0.015 . 2 . . . . . 110 SER HB3 . 26518 1 678 . 1 . 1 55 55 SER C C 13 174.175 0.000 . 1 . . . . . 110 SER C . 26518 1 679 . 1 . 1 55 55 SER CA C 13 59.225 0.074 . 1 . . . . . 110 SER CA . 26518 1 680 . 1 . 1 55 55 SER CB C 13 63.622 0.150 . 1 . . . . . 110 SER CB . 26518 1 681 . 1 . 1 55 55 SER N N 15 115.436 0.040 . 1 . . . . . 110 SER N . 26518 1 682 . 1 . 1 56 56 TYR H H 1 7.878 0.003 . 1 . . . . . 111 TYR H . 26518 1 683 . 1 . 1 56 56 TYR HA H 1 4.563 0.001 . 1 . . . . . 111 TYR HA . 26518 1 684 . 1 . 1 56 56 TYR HB2 H 1 3.072 0.014 . 2 . . . . . 111 TYR HB2 . 26518 1 685 . 1 . 1 56 56 TYR HB3 H 1 2.995 0.016 . 2 . . . . . 111 TYR HB3 . 26518 1 686 . 1 . 1 56 56 TYR HD1 H 1 7.118 0.001 . 1 . . . . . 111 TYR HD1 . 26518 1 687 . 1 . 1 56 56 TYR HD2 H 1 7.118 0.001 . 1 . . . . . 111 TYR HD2 . 26518 1 688 . 1 . 1 56 56 TYR HE1 H 1 6.805 0.012 . 1 . . . . . 111 TYR HE1 . 26518 1 689 . 1 . 1 56 56 TYR HE2 H 1 6.805 0.012 . 1 . . . . . 111 TYR HE2 . 26518 1 690 . 1 . 1 56 56 TYR C C 13 175.624 0.000 . 1 . . . . . 111 TYR C . 26518 1 691 . 1 . 1 56 56 TYR CA C 13 58.054 0.057 . 1 . . . . . 111 TYR CA . 26518 1 692 . 1 . 1 56 56 TYR CB C 13 38.620 0.012 . 1 . . . . . 111 TYR CB . 26518 1 693 . 1 . 1 56 56 TYR CD1 C 13 133.171 0.024 . 1 . . . . . 111 TYR CD1 . 26518 1 694 . 1 . 1 56 56 TYR CD2 C 13 133.171 0.024 . 1 . . . . . 111 TYR CD2 . 26518 1 695 . 1 . 1 56 56 TYR CE1 C 13 118.114 0.041 . 1 . . . . . 111 TYR CE1 . 26518 1 696 . 1 . 1 56 56 TYR CE2 C 13 118.114 0.041 . 1 . . . . . 111 TYR CE2 . 26518 1 697 . 1 . 1 56 56 TYR N N 15 121.263 0.013 . 1 . . . . . 111 TYR N . 26518 1 698 . 1 . 1 57 57 SER H H 1 8.034 0.002 . 1 . . . . . 112 SER H . 26518 1 699 . 1 . 1 57 57 SER HA H 1 4.706 0.006 . 1 . . . . . 112 SER HA . 26518 1 700 . 1 . 1 57 57 SER HB2 H 1 3.849 0.015 . 2 . . . . . 112 SER HB2 . 26518 1 701 . 1 . 1 57 57 SER HB3 H 1 3.821 0.001 . 2 . . . . . 112 SER HB3 . 26518 1 702 . 1 . 1 57 57 SER CA C 13 56.140 0.010 . 1 . . . . . 112 SER CA . 26518 1 703 . 1 . 1 57 57 SER CB C 13 63.606 0.031 . 1 . . . . . 112 SER CB . 26518 1 704 . 1 . 1 57 57 SER N N 15 117.849 0.017 . 1 . . . . . 112 SER N . 26518 1 705 . 1 . 1 58 58 PRO HA H 1 4.404 0.001 . 1 . . . . . 113 PRO HA . 26518 1 706 . 1 . 1 58 58 PRO HB2 H 1 2.319 0.003 . 2 . . . . . 113 PRO HB2 . 26518 1 707 . 1 . 1 58 58 PRO HB3 H 1 1.943 0.003 . 2 . . . . . 113 PRO HB3 . 26518 1 708 . 1 . 1 58 58 PRO HG2 H 1 2.005 0.003 . 2 . . . . . 113 PRO HG2 . 26518 1 709 . 1 . 1 58 58 PRO HG3 H 1 2.005 0.003 . 2 . . . . . 113 PRO HG3 . 26518 1 710 . 1 . 1 58 58 PRO HD2 H 1 3.681 0.002 . 2 . . . . . 113 PRO HD2 . 26518 1 711 . 1 . 1 58 58 PRO HD3 H 1 3.681 0.002 . 2 . . . . . 113 PRO HD3 . 26518 1 712 . 1 . 1 58 58 PRO C C 13 177.381 0.000 . 1 . . . . . 113 PRO C . 26518 1 713 . 1 . 1 58 58 PRO CA C 13 64.065 0.003 . 1 . . . . . 113 PRO CA . 26518 1 714 . 1 . 1 58 58 PRO CB C 13 31.938 0.121 . 1 . . . . . 113 PRO CB . 26518 1 715 . 1 . 1 58 58 PRO CG C 13 27.433 0.084 . 1 . . . . . 113 PRO CG . 26518 1 716 . 1 . 1 58 58 PRO CD C 13 50.726 0.012 . 1 . . . . . 113 PRO CD . 26518 1 717 . 1 . 1 59 59 GLN H H 1 8.180 0.010 . 1 . . . . . 114 GLN H . 26518 1 718 . 1 . 1 59 59 GLN HA H 1 4.275 0.004 . 1 . . . . . 114 GLN HA . 26518 1 719 . 1 . 1 59 59 GLN HB2 H 1 2.123 0.013 . 2 . . . . . 114 GLN HB2 . 26518 1 720 . 1 . 1 59 59 GLN HB3 H 1 1.974 0.015 . 2 . . . . . 114 GLN HB3 . 26518 1 721 . 1 . 1 59 59 GLN HG2 H 1 2.345 0.007 . 2 . . . . . 114 GLN HG2 . 26518 1 722 . 1 . 1 59 59 GLN HG3 H 1 2.345 0.007 . 2 . . . . . 114 GLN HG3 . 26518 1 723 . 1 . 1 59 59 GLN HE21 H 1 7.477 0.015 . 2 . . . . . 114 GLN HE21 . 26518 1 724 . 1 . 1 59 59 GLN HE22 H 1 6.822 0.015 . 2 . . . . . 114 GLN HE22 . 26518 1 725 . 1 . 1 59 59 GLN C C 13 176.122 0.000 . 1 . . . . . 114 GLN C . 26518 1 726 . 1 . 1 59 59 GLN CA C 13 56.340 0.150 . 1 . . . . . 114 GLN CA . 26518 1 727 . 1 . 1 59 59 GLN CB C 13 29.108 0.052 . 1 . . . . . 114 GLN CB . 26518 1 728 . 1 . 1 59 59 GLN CG C 13 34.071 0.121 . 1 . . . . . 114 GLN CG . 26518 1 729 . 1 . 1 59 59 GLN N N 15 117.644 0.008 . 1 . . . . . 114 GLN N . 26518 1 730 . 1 . 1 59 59 GLN NE2 N 15 112.259 0.032 . 1 . . . . . 114 GLN NE2 . 26518 1 731 . 1 . 1 60 60 GLN H H 1 8.112 0.015 . 1 . . . . . 115 GLN H . 26518 1 732 . 1 . 1 60 60 GLN HA H 1 4.274 0.009 . 1 . . . . . 115 GLN HA . 26518 1 733 . 1 . 1 60 60 GLN HB2 H 1 2.106 0.001 . 2 . . . . . 115 GLN HB2 . 26518 1 734 . 1 . 1 60 60 GLN HB3 H 1 1.998 0.006 . 2 . . . . . 115 GLN HB3 . 26518 1 735 . 1 . 1 60 60 GLN HG2 H 1 2.337 0.007 . 2 . . . . . 115 GLN HG2 . 26518 1 736 . 1 . 1 60 60 GLN HG3 H 1 2.337 0.007 . 2 . . . . . 115 GLN HG3 . 26518 1 737 . 1 . 1 60 60 GLN C C 13 175.565 0.000 . 1 . . . . . 115 GLN C . 26518 1 738 . 1 . 1 60 60 GLN CA C 13 56.321 0.025 . 1 . . . . . 115 GLN CA . 26518 1 739 . 1 . 1 60 60 GLN CB C 13 29.225 0.016 . 1 . . . . . 115 GLN CB . 26518 1 740 . 1 . 1 60 60 GLN CG C 13 33.817 0.150 . 1 . . . . . 115 GLN CG . 26518 1 741 . 1 . 1 60 60 GLN N N 15 119.506 0.028 . 1 . . . . . 115 GLN N . 26518 1 742 . 1 . 1 61 61 ASN H H 1 8.381 0.017 . 1 . . . . . 116 ASN H . 26518 1 743 . 1 . 1 61 61 ASN HA H 1 4.723 0.006 . 1 . . . . . 116 ASN HA . 26518 1 744 . 1 . 1 61 61 ASN HB2 H 1 2.825 0.015 . 2 . . . . . 116 ASN HB2 . 26518 1 745 . 1 . 1 61 61 ASN HB3 H 1 2.734 0.006 . 2 . . . . . 116 ASN HB3 . 26518 1 746 . 1 . 1 61 61 ASN C C 13 175.280 0.000 . 1 . . . . . 116 ASN C . 26518 1 747 . 1 . 1 61 61 ASN CA C 13 53.774 0.178 . 1 . . . . . 116 ASN CA . 26518 1 748 . 1 . 1 61 61 ASN CB C 13 38.683 0.166 . 1 . . . . . 116 ASN CB . 26518 1 749 . 1 . 1 61 61 ASN N N 15 118.830 0.026 . 1 . . . . . 116 ASN N . 26518 1 750 . 1 . 1 62 62 THR H H 1 7.954 0.003 . 1 . . . . . 117 THR H . 26518 1 751 . 1 . 1 62 62 THR HA H 1 4.451 0.001 . 1 . . . . . 117 THR HA . 26518 1 752 . 1 . 1 62 62 THR HB H 1 4.052 0.002 . 1 . . . . . 117 THR HB . 26518 1 753 . 1 . 1 62 62 THR HG21 H 1 1.104 0.001 . 1 . . . . . 117 THR QG2 . 26518 1 754 . 1 . 1 62 62 THR HG22 H 1 1.104 0.001 . 1 . . . . . 117 THR QG2 . 26518 1 755 . 1 . 1 62 62 THR HG23 H 1 1.104 0.001 . 1 . . . . . 117 THR QG2 . 26518 1 756 . 1 . 1 62 62 THR C C 13 173.914 0.000 . 1 . . . . . 117 THR C . 26518 1 757 . 1 . 1 62 62 THR CA C 13 61.806 0.015 . 1 . . . . . 117 THR CA . 26518 1 758 . 1 . 1 62 62 THR CB C 13 70.503 0.088 . 1 . . . . . 117 THR CB . 26518 1 759 . 1 . 1 62 62 THR CG2 C 13 21.949 0.060 . 1 . . . . . 117 THR CG2 . 26518 1 760 . 1 . 1 62 62 THR N N 15 115.434 0.003 . 1 . . . . . 117 THR N . 26518 1 761 . 1 . 1 63 63 ILE H H 1 8.373 0.004 . 1 . . . . . 118 ILE H . 26518 1 762 . 1 . 1 63 63 ILE HA H 1 4.267 0.002 . 1 . . . . . 118 ILE HA . 26518 1 763 . 1 . 1 63 63 ILE HB H 1 1.917 0.002 . 1 . . . . . 118 ILE HB . 26518 1 764 . 1 . 1 63 63 ILE HG12 H 1 1.552 0.006 . 2 . . . . . 118 ILE HG12 . 26518 1 765 . 1 . 1 63 63 ILE HG13 H 1 1.168 0.014 . 2 . . . . . 118 ILE HG13 . 26518 1 766 . 1 . 1 63 63 ILE HG21 H 1 0.971 0.001 . 1 . . . . . 118 ILE QG2 . 26518 1 767 . 1 . 1 63 63 ILE HG22 H 1 0.971 0.001 . 1 . . . . . 118 ILE QG2 . 26518 1 768 . 1 . 1 63 63 ILE HG23 H 1 0.971 0.001 . 1 . . . . . 118 ILE QG2 . 26518 1 769 . 1 . 1 63 63 ILE HD11 H 1 0.869 0.007 . 1 . . . . . 118 ILE QD1 . 26518 1 770 . 1 . 1 63 63 ILE HD12 H 1 0.869 0.007 . 1 . . . . . 118 ILE QD1 . 26518 1 771 . 1 . 1 63 63 ILE HD13 H 1 0.869 0.007 . 1 . . . . . 118 ILE QD1 . 26518 1 772 . 1 . 1 63 63 ILE C C 13 174.727 0.000 . 1 . . . . . 118 ILE C . 26518 1 773 . 1 . 1 63 63 ILE CA C 13 61.248 0.031 . 1 . . . . . 118 ILE CA . 26518 1 774 . 1 . 1 63 63 ILE CB C 13 38.891 0.074 . 1 . . . . . 118 ILE CB . 26518 1 775 . 1 . 1 63 63 ILE CG1 C 13 27.487 0.121 . 1 . . . . . 118 ILE CG1 . 26518 1 776 . 1 . 1 63 63 ILE CG2 C 13 18.018 0.073 . 1 . . . . . 118 ILE CG2 . 26518 1 777 . 1 . 1 63 63 ILE CD1 C 13 12.631 0.008 . 1 . . . . . 118 ILE CD1 . 26518 1 778 . 1 . 1 63 63 ILE N N 15 125.268 0.008 . 1 . . . . . 118 ILE N . 26518 1 779 . 1 . 1 64 64 GLN H H 1 8.623 0.006 . 1 . . . . . 119 GLN H . 26518 1 780 . 1 . 1 64 64 GLN HA H 1 4.849 0.008 . 1 . . . . . 119 GLN HA . 26518 1 781 . 1 . 1 64 64 GLN HB2 H 1 1.986 0.010 . 2 . . . . . 119 GLN HB2 . 26518 1 782 . 1 . 1 64 64 GLN HB3 H 1 1.905 0.003 . 2 . . . . . 119 GLN HB3 . 26518 1 783 . 1 . 1 64 64 GLN HG2 H 1 2.169 0.012 . 2 . . . . . 119 GLN HG2 . 26518 1 784 . 1 . 1 64 64 GLN HG3 H 1 1.957 0.015 . 2 . . . . . 119 GLN HG3 . 26518 1 785 . 1 . 1 64 64 GLN HE21 H 1 7.083 0.001 . 2 . . . . . 119 GLN HE21 . 26518 1 786 . 1 . 1 64 64 GLN HE22 H 1 6.832 0.003 . 2 . . . . . 119 GLN HE22 . 26518 1 787 . 1 . 1 64 64 GLN C C 13 171.133 0.000 . 1 . . . . . 119 GLN C . 26518 1 788 . 1 . 1 64 64 GLN CA C 13 55.178 0.065 . 1 . . . . . 119 GLN CA . 26518 1 789 . 1 . 1 64 64 GLN CB C 13 31.396 0.079 . 1 . . . . . 119 GLN CB . 26518 1 790 . 1 . 1 64 64 GLN CG C 13 34.240 0.114 . 1 . . . . . 119 GLN CG . 26518 1 791 . 1 . 1 64 64 GLN N N 15 129.080 0.150 . 1 . . . . . 119 GLN N . 26518 1 792 . 1 . 1 64 64 GLN NE2 N 15 112.058 0.010 . 1 . . . . . 119 GLN NE2 . 26518 1 793 . 1 . 1 65 65 LYS H H 1 8.181 0.009 . 1 . . . . . 120 LYS H . 26518 1 794 . 1 . 1 65 65 LYS HA H 1 4.553 0.004 . 1 . . . . . 120 LYS HA . 26518 1 795 . 1 . 1 65 65 LYS HB2 H 1 1.648 0.012 . 2 . . . . . 120 LYS HB2 . 26518 1 796 . 1 . 1 65 65 LYS HB3 H 1 1.833 0.005 . 2 . . . . . 120 LYS HB3 . 26518 1 797 . 1 . 1 65 65 LYS HG2 H 1 1.565 0.008 . 2 . . . . . 120 LYS HG2 . 26518 1 798 . 1 . 1 65 65 LYS HG3 H 1 1.565 0.008 . 2 . . . . . 120 LYS HG3 . 26518 1 799 . 1 . 1 65 65 LYS HD2 H 1 1.553 0.002 . 2 . . . . . 120 LYS HD2 . 26518 1 800 . 1 . 1 65 65 LYS HD3 H 1 1.553 0.002 . 2 . . . . . 120 LYS HD3 . 26518 1 801 . 1 . 1 65 65 LYS HE2 H 1 2.962 0.015 . 2 . . . . . 120 LYS HE2 . 26518 1 802 . 1 . 1 65 65 LYS HE3 H 1 2.904 0.015 . 2 . . . . . 120 LYS HE3 . 26518 1 803 . 1 . 1 65 65 LYS C C 13 176.006 0.000 . 1 . . . . . 120 LYS C . 26518 1 804 . 1 . 1 65 65 LYS CA C 13 54.233 0.010 . 1 . . . . . 120 LYS CA . 26518 1 805 . 1 . 1 65 65 LYS CB C 13 36.111 0.112 . 1 . . . . . 120 LYS CB . 26518 1 806 . 1 . 1 65 65 LYS CG C 13 25.164 0.150 . 1 . . . . . 120 LYS CG . 26518 1 807 . 1 . 1 65 65 LYS CD C 13 29.547 0.150 . 1 . . . . . 120 LYS CD . 26518 1 808 . 1 . 1 65 65 LYS CE C 13 42.441 0.150 . 1 . . . . . 120 LYS CE . 26518 1 809 . 1 . 1 65 65 LYS N N 15 121.824 0.150 . 1 . . . . . 120 LYS N . 26518 1 810 . 1 . 1 66 66 SER H H 1 8.432 0.005 . 1 . . . . . 121 SER H . 26518 1 811 . 1 . 1 66 66 SER HA H 1 5.015 0.013 . 1 . . . . . 121 SER HA . 26518 1 812 . 1 . 1 66 66 SER HB2 H 1 2.852 0.004 . 2 . . . . . 121 SER HB2 . 26518 1 813 . 1 . 1 66 66 SER HB3 H 1 1.869 0.005 . 2 . . . . . 121 SER HB3 . 26518 1 814 . 1 . 1 66 66 SER C C 13 173.346 0.000 . 1 . . . . . 121 SER C . 26518 1 815 . 1 . 1 66 66 SER CA C 13 56.830 0.010 . 1 . . . . . 121 SER CA . 26518 1 816 . 1 . 1 66 66 SER CB C 13 63.715 0.053 . 1 . . . . . 121 SER CB . 26518 1 817 . 1 . 1 66 66 SER N N 15 119.363 0.150 . 1 . . . . . 121 SER N . 26518 1 818 . 1 . 1 67 67 SER H H 1 8.698 0.009 . 1 . . . . . 122 SER H . 26518 1 819 . 1 . 1 67 67 SER HA H 1 5.356 0.003 . 1 . . . . . 122 SER HA . 26518 1 820 . 1 . 1 67 67 SER HB2 H 1 3.829 0.015 . 2 . . . . . 122 SER HB2 . 26518 1 821 . 1 . 1 67 67 SER HB3 H 1 3.770 0.001 . 2 . . . . . 122 SER HB3 . 26518 1 822 . 1 . 1 67 67 SER C C 13 172.207 0.000 . 1 . . . . . 122 SER C . 26518 1 823 . 1 . 1 67 67 SER CA C 13 57.551 0.015 . 1 . . . . . 122 SER CA . 26518 1 824 . 1 . 1 67 67 SER CB C 13 66.863 0.064 . 1 . . . . . 122 SER CB . 26518 1 825 . 1 . 1 67 67 SER N N 15 122.749 0.050 . 1 . . . . . 122 SER N . 26518 1 826 . 1 . 1 68 68 VAL H H 1 7.916 0.003 . 1 . . . . . 123 VAL H . 26518 1 827 . 1 . 1 68 68 VAL HA H 1 4.470 0.003 . 1 . . . . . 123 VAL HA . 26518 1 828 . 1 . 1 68 68 VAL HB H 1 1.815 0.002 . 1 . . . . . 123 VAL HB . 26518 1 829 . 1 . 1 68 68 VAL HG11 H 1 0.696 0.002 . 2 . . . . . 123 VAL QG1 . 26518 1 830 . 1 . 1 68 68 VAL HG12 H 1 0.696 0.002 . 2 . . . . . 123 VAL QG1 . 26518 1 831 . 1 . 1 68 68 VAL HG13 H 1 0.696 0.002 . 2 . . . . . 123 VAL QG1 . 26518 1 832 . 1 . 1 68 68 VAL HG21 H 1 0.695 0.003 . 2 . . . . . 123 VAL QG2 . 26518 1 833 . 1 . 1 68 68 VAL HG22 H 1 0.695 0.003 . 2 . . . . . 123 VAL QG2 . 26518 1 834 . 1 . 1 68 68 VAL HG23 H 1 0.695 0.003 . 2 . . . . . 123 VAL QG2 . 26518 1 835 . 1 . 1 68 68 VAL C C 13 172.790 0.000 . 1 . . . . . 123 VAL C . 26518 1 836 . 1 . 1 68 68 VAL CA C 13 59.728 0.109 . 1 . . . . . 123 VAL CA . 26518 1 837 . 1 . 1 68 68 VAL CB C 13 34.926 0.042 . 1 . . . . . 123 VAL CB . 26518 1 838 . 1 . 1 68 68 VAL CG1 C 13 21.235 0.051 . 1 . . . . . 123 VAL CG1 . 26518 1 839 . 1 . 1 68 68 VAL CG2 C 13 22.441 0.029 . 1 . . . . . 123 VAL CG2 . 26518 1 840 . 1 . 1 68 68 VAL N N 15 117.614 0.021 . 1 . . . . . 123 VAL N . 26518 1 841 . 1 . 1 69 69 ASN H H 1 9.384 0.004 . 1 . . . . . 124 ASN H . 26518 1 842 . 1 . 1 69 69 ASN HA H 1 4.880 0.003 . 1 . . . . . 124 ASN HA . 26518 1 843 . 1 . 1 69 69 ASN HB2 H 1 2.669 0.007 . 2 . . . . . 124 ASN HB2 . 26518 1 844 . 1 . 1 69 69 ASN HB3 H 1 2.881 0.008 . 2 . . . . . 124 ASN HB3 . 26518 1 845 . 1 . 1 69 69 ASN HD21 H 1 7.567 0.001 . 2 . . . . . 124 ASN HD21 . 26518 1 846 . 1 . 1 69 69 ASN HD22 H 1 7.008 0.015 . 2 . . . . . 124 ASN HD22 . 26518 1 847 . 1 . 1 69 69 ASN C C 13 176.567 0.000 . 1 . . . . . 124 ASN C . 26518 1 848 . 1 . 1 69 69 ASN CA C 13 51.454 0.029 . 1 . . . . . 124 ASN CA . 26518 1 849 . 1 . 1 69 69 ASN CB C 13 38.928 0.083 . 1 . . . . . 124 ASN CB . 26518 1 850 . 1 . 1 69 69 ASN N N 15 127.729 0.002 . 1 . . . . . 124 ASN N . 26518 1 851 . 1 . 1 69 69 ASN ND2 N 15 112.956 0.044 . 1 . . . . . 124 ASN ND2 . 26518 1 852 . 1 . 1 70 70 GLU H H 1 9.586 0.005 . 1 . . . . . 125 GLU H . 26518 1 853 . 1 . 1 70 70 GLU HA H 1 3.912 0.015 . 1 . . . . . 125 GLU HA . 26518 1 854 . 1 . 1 70 70 GLU HB2 H 1 2.004 0.015 . 2 . . . . . 125 GLU HB2 . 26518 1 855 . 1 . 1 70 70 GLU HB3 H 1 2.101 0.005 . 2 . . . . . 125 GLU HB3 . 26518 1 856 . 1 . 1 70 70 GLU HG2 H 1 2.196 0.003 . 2 . . . . . 125 GLU HG2 . 26518 1 857 . 1 . 1 70 70 GLU HG3 H 1 2.280 0.015 . 2 . . . . . 125 GLU HG3 . 26518 1 858 . 1 . 1 70 70 GLU C C 13 176.855 0.000 . 1 . . . . . 125 GLU C . 26518 1 859 . 1 . 1 70 70 GLU CA C 13 59.429 0.150 . 1 . . . . . 125 GLU CA . 26518 1 860 . 1 . 1 70 70 GLU CB C 13 29.338 0.056 . 1 . . . . . 125 GLU CB . 26518 1 861 . 1 . 1 70 70 GLU CG C 13 35.605 0.140 . 1 . . . . . 125 GLU CG . 26518 1 862 . 1 . 1 70 70 GLU N N 15 126.125 0.019 . 1 . . . . . 125 GLU N . 26518 1 863 . 1 . 1 71 71 ASN H H 1 8.429 0.006 . 1 . . . . . 126 ASN H . 26518 1 864 . 1 . 1 71 71 ASN HA H 1 4.547 0.007 . 1 . . . . . 126 ASN HA . 26518 1 865 . 1 . 1 71 71 ASN HB2 H 1 2.814 0.016 . 2 . . . . . 126 ASN HB2 . 26518 1 866 . 1 . 1 71 71 ASN HB3 H 1 2.814 0.016 . 2 . . . . . 126 ASN HB3 . 26518 1 867 . 1 . 1 71 71 ASN HD21 H 1 7.632 0.015 . 2 . . . . . 126 ASN HD21 . 26518 1 868 . 1 . 1 71 71 ASN HD22 H 1 6.939 0.003 . 2 . . . . . 126 ASN HD22 . 26518 1 869 . 1 . 1 71 71 ASN C C 13 175.907 0.000 . 1 . . . . . 126 ASN C . 26518 1 870 . 1 . 1 71 71 ASN CA C 13 54.520 0.112 . 1 . . . . . 126 ASN CA . 26518 1 871 . 1 . 1 71 71 ASN CB C 13 38.171 0.132 . 1 . . . . . 126 ASN CB . 26518 1 872 . 1 . 1 71 71 ASN N N 15 115.508 0.005 . 1 . . . . . 126 ASN N . 26518 1 873 . 1 . 1 71 71 ASN ND2 N 15 112.936 0.095 . 1 . . . . . 126 ASN ND2 . 26518 1 874 . 1 . 1 72 72 GLU H H 1 7.997 0.006 . 1 . . . . . 127 GLU H . 26518 1 875 . 1 . 1 72 72 GLU HA H 1 4.269 0.015 . 1 . . . . . 127 GLU HA . 26518 1 876 . 1 . 1 72 72 GLU HB2 H 1 2.189 0.015 . 2 . . . . . 127 GLU HB2 . 26518 1 877 . 1 . 1 72 72 GLU HB3 H 1 2.106 0.001 . 2 . . . . . 127 GLU HB3 . 26518 1 878 . 1 . 1 72 72 GLU HG2 H 1 2.177 0.015 . 2 . . . . . 127 GLU HG2 . 26518 1 879 . 1 . 1 72 72 GLU HG3 H 1 2.177 0.015 . 2 . . . . . 127 GLU HG3 . 26518 1 880 . 1 . 1 72 72 GLU C C 13 175.331 0.000 . 1 . . . . . 127 GLU C . 26518 1 881 . 1 . 1 72 72 GLU CA C 13 55.690 0.150 . 1 . . . . . 127 GLU CA . 26518 1 882 . 1 . 1 72 72 GLU CB C 13 30.476 0.212 . 1 . . . . . 127 GLU CB . 26518 1 883 . 1 . 1 72 72 GLU CG C 13 36.910 0.150 . 1 . . . . . 127 GLU CG . 26518 1 884 . 1 . 1 72 72 GLU N N 15 117.321 0.011 . 1 . . . . . 127 GLU N . 26518 1 885 . 1 . 1 73 73 ILE H H 1 6.858 0.003 . 1 . . . . . 128 ILE H . 26518 1 886 . 1 . 1 73 73 ILE HA H 1 4.043 0.001 . 1 . . . . . 128 ILE HA . 26518 1 887 . 1 . 1 73 73 ILE HB H 1 1.728 0.016 . 1 . . . . . 128 ILE HB . 26518 1 888 . 1 . 1 73 73 ILE HG12 H 1 1.886 0.008 . 2 . . . . . 128 ILE HG12 . 26518 1 889 . 1 . 1 73 73 ILE HG13 H 1 0.554 0.010 . 2 . . . . . 128 ILE HG13 . 26518 1 890 . 1 . 1 73 73 ILE HG21 H 1 0.521 0.019 . 1 . . . . . 128 ILE QG2 . 26518 1 891 . 1 . 1 73 73 ILE HG22 H 1 0.521 0.019 . 1 . . . . . 128 ILE QG2 . 26518 1 892 . 1 . 1 73 73 ILE HG23 H 1 0.521 0.019 . 1 . . . . . 128 ILE QG2 . 26518 1 893 . 1 . 1 73 73 ILE HD11 H 1 0.839 0.001 . 1 . . . . . 128 ILE QD1 . 26518 1 894 . 1 . 1 73 73 ILE HD12 H 1 0.839 0.001 . 1 . . . . . 128 ILE QD1 . 26518 1 895 . 1 . 1 73 73 ILE HD13 H 1 0.839 0.001 . 1 . . . . . 128 ILE QD1 . 26518 1 896 . 1 . 1 73 73 ILE C C 13 174.846 0.000 . 1 . . . . . 128 ILE C . 26518 1 897 . 1 . 1 73 73 ILE CA C 13 62.391 0.083 . 1 . . . . . 128 ILE CA . 26518 1 898 . 1 . 1 73 73 ILE CB C 13 38.162 0.008 . 1 . . . . . 128 ILE CB . 26518 1 899 . 1 . 1 73 73 ILE CG1 C 13 27.660 0.139 . 1 . . . . . 128 ILE CG1 . 26518 1 900 . 1 . 1 73 73 ILE CG2 C 13 16.907 0.035 . 1 . . . . . 128 ILE CG2 . 26518 1 901 . 1 . 1 73 73 ILE CD1 C 13 14.645 0.015 . 1 . . . . . 128 ILE CD1 . 26518 1 902 . 1 . 1 73 73 ILE N N 15 119.206 0.027 . 1 . . . . . 128 ILE N . 26518 1 903 . 1 . 1 74 74 LYS H H 1 8.880 0.013 . 1 . . . . . 129 LYS H . 26518 1 904 . 1 . 1 74 74 LYS HA H 1 4.564 0.003 . 1 . . . . . 129 LYS HA . 26518 1 905 . 1 . 1 74 74 LYS HB2 H 1 1.757 0.015 . 2 . . . . . 129 LYS HB2 . 26518 1 906 . 1 . 1 74 74 LYS HB3 H 1 1.727 0.015 . 2 . . . . . 129 LYS HB3 . 26518 1 907 . 1 . 1 74 74 LYS HG2 H 1 1.402 0.015 . 2 . . . . . 129 LYS HG2 . 26518 1 908 . 1 . 1 74 74 LYS HG3 H 1 1.296 0.015 . 2 . . . . . 129 LYS HG3 . 26518 1 909 . 1 . 1 74 74 LYS HD2 H 1 1.613 0.006 . 2 . . . . . 129 LYS HD2 . 26518 1 910 . 1 . 1 74 74 LYS HD3 H 1 1.613 0.006 . 2 . . . . . 129 LYS HD3 . 26518 1 911 . 1 . 1 74 74 LYS HE2 H 1 2.902 0.015 . 2 . . . . . 129 LYS HE2 . 26518 1 912 . 1 . 1 74 74 LYS HE3 H 1 2.902 0.015 . 2 . . . . . 129 LYS HE3 . 26518 1 913 . 1 . 1 74 74 LYS C C 13 174.949 0.000 . 1 . . . . . 129 LYS C . 26518 1 914 . 1 . 1 74 74 LYS CA C 13 55.299 0.106 . 1 . . . . . 129 LYS CA . 26518 1 915 . 1 . 1 74 74 LYS CB C 13 33.808 0.027 . 1 . . . . . 129 LYS CB . 26518 1 916 . 1 . 1 74 74 LYS CG C 13 24.690 0.040 . 1 . . . . . 129 LYS CG . 26518 1 917 . 1 . 1 74 74 LYS CD C 13 29.161 0.150 . 1 . . . . . 129 LYS CD . 26518 1 918 . 1 . 1 74 74 LYS CE C 13 42.180 0.150 . 1 . . . . . 129 LYS CE . 26518 1 919 . 1 . 1 74 74 LYS N N 15 130.900 0.004 . 1 . . . . . 129 LYS N . 26518 1 920 . 1 . 1 75 75 ILE H H 1 8.403 0.008 . 1 . . . . . 130 ILE H . 26518 1 921 . 1 . 1 75 75 ILE HA H 1 4.700 0.012 . 1 . . . . . 130 ILE HA . 26518 1 922 . 1 . 1 75 75 ILE HB H 1 1.620 0.015 . 1 . . . . . 130 ILE HB . 26518 1 923 . 1 . 1 75 75 ILE HG12 H 1 1.494 0.009 . 2 . . . . . 130 ILE HG12 . 26518 1 924 . 1 . 1 75 75 ILE HG13 H 1 0.748 0.015 . 2 . . . . . 130 ILE HG13 . 26518 1 925 . 1 . 1 75 75 ILE HG21 H 1 0.683 0.001 . 1 . . . . . 130 ILE QG2 . 26518 1 926 . 1 . 1 75 75 ILE HG22 H 1 0.683 0.001 . 1 . . . . . 130 ILE QG2 . 26518 1 927 . 1 . 1 75 75 ILE HG23 H 1 0.683 0.001 . 1 . . . . . 130 ILE QG2 . 26518 1 928 . 1 . 1 75 75 ILE HD11 H 1 0.744 0.012 . 1 . . . . . 130 ILE QD1 . 26518 1 929 . 1 . 1 75 75 ILE HD12 H 1 0.744 0.012 . 1 . . . . . 130 ILE QD1 . 26518 1 930 . 1 . 1 75 75 ILE HD13 H 1 0.744 0.012 . 1 . . . . . 130 ILE QD1 . 26518 1 931 . 1 . 1 75 75 ILE C C 13 174.648 0.000 . 1 . . . . . 130 ILE C . 26518 1 932 . 1 . 1 75 75 ILE CA C 13 60.919 0.150 . 1 . . . . . 130 ILE CA . 26518 1 933 . 1 . 1 75 75 ILE CB C 13 40.801 0.150 . 1 . . . . . 130 ILE CB . 26518 1 934 . 1 . 1 75 75 ILE CG1 C 13 28.355 0.088 . 1 . . . . . 130 ILE CG1 . 26518 1 935 . 1 . 1 75 75 ILE CG2 C 13 19.109 0.017 . 1 . . . . . 130 ILE CG2 . 26518 1 936 . 1 . 1 75 75 ILE CD1 C 13 15.537 0.104 . 1 . . . . . 130 ILE CD1 . 26518 1 937 . 1 . 1 75 75 ILE N N 15 123.544 0.150 . 1 . . . . . 130 ILE N . 26518 1 938 . 1 . 1 76 76 LEU H H 1 9.179 0.005 . 1 . . . . . 131 LEU H . 26518 1 939 . 1 . 1 76 76 LEU HA H 1 4.836 0.004 . 1 . . . . . 131 LEU HA . 26518 1 940 . 1 . 1 76 76 LEU HB2 H 1 1.727 0.001 . 2 . . . . . 131 LEU HB2 . 26518 1 941 . 1 . 1 76 76 LEU HB3 H 1 1.546 0.001 . 2 . . . . . 131 LEU HB3 . 26518 1 942 . 1 . 1 76 76 LEU HG H 1 1.536 0.005 . 1 . . . . . 131 LEU HG . 26518 1 943 . 1 . 1 76 76 LEU HD11 H 1 0.919 0.011 . 2 . . . . . 131 LEU QD1 . 26518 1 944 . 1 . 1 76 76 LEU HD12 H 1 0.919 0.011 . 2 . . . . . 131 LEU QD1 . 26518 1 945 . 1 . 1 76 76 LEU HD13 H 1 0.919 0.011 . 2 . . . . . 131 LEU QD1 . 26518 1 946 . 1 . 1 76 76 LEU HD21 H 1 0.872 0.015 . 2 . . . . . 131 LEU QD2 . 26518 1 947 . 1 . 1 76 76 LEU HD22 H 1 0.872 0.015 . 2 . . . . . 131 LEU QD2 . 26518 1 948 . 1 . 1 76 76 LEU HD23 H 1 0.872 0.015 . 2 . . . . . 131 LEU QD2 . 26518 1 949 . 1 . 1 76 76 LEU C C 13 175.745 0.000 . 1 . . . . . 131 LEU C . 26518 1 950 . 1 . 1 76 76 LEU CA C 13 53.418 0.150 . 1 . . . . . 131 LEU CA . 26518 1 951 . 1 . 1 76 76 LEU CB C 13 45.170 0.069 . 1 . . . . . 131 LEU CB . 26518 1 952 . 1 . 1 76 76 LEU CG C 13 27.042 0.017 . 1 . . . . . 131 LEU CG . 26518 1 953 . 1 . 1 76 76 LEU CD1 C 13 24.683 0.027 . 1 . . . . . 131 LEU CD1 . 26518 1 954 . 1 . 1 76 76 LEU CD2 C 13 24.836 0.048 . 1 . . . . . 131 LEU CD2 . 26518 1 955 . 1 . 1 76 76 LEU N N 15 130.453 0.019 . 1 . . . . . 131 LEU N . 26518 1 956 . 1 . 1 77 77 ALA H H 1 8.867 0.001 . 1 . . . . . 132 ALA H . 26518 1 957 . 1 . 1 77 77 ALA HA H 1 4.274 0.005 . 1 . . . . . 132 ALA HA . 26518 1 958 . 1 . 1 77 77 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 132 ALA HB . 26518 1 959 . 1 . 1 77 77 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 132 ALA HB . 26518 1 960 . 1 . 1 77 77 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 132 ALA HB . 26518 1 961 . 1 . 1 77 77 ALA C C 13 176.555 0.000 . 1 . . . . . 132 ALA C . 26518 1 962 . 1 . 1 77 77 ALA CA C 13 53.082 0.025 . 1 . . . . . 132 ALA CA . 26518 1 963 . 1 . 1 77 77 ALA CB C 13 19.072 0.057 . 1 . . . . . 132 ALA CB . 26518 1 964 . 1 . 1 77 77 ALA N N 15 128.064 0.035 . 1 . . . . . 132 ALA N . 26518 1 965 . 1 . 1 78 78 TYR H H 1 8.160 0.005 . 1 . . . . . 133 TYR H . 26518 1 966 . 1 . 1 78 78 TYR HA H 1 4.596 0.005 . 1 . . . . . 133 TYR HA . 26518 1 967 . 1 . 1 78 78 TYR HB2 H 1 2.626 0.003 . 2 . . . . . 133 TYR HB2 . 26518 1 968 . 1 . 1 78 78 TYR HB3 H 1 2.626 0.003 . 2 . . . . . 133 TYR HB3 . 26518 1 969 . 1 . 1 78 78 TYR HD1 H 1 6.904 0.015 . 1 . . . . . 133 TYR HD1 . 26518 1 970 . 1 . 1 78 78 TYR HD2 H 1 6.904 0.015 . 1 . . . . . 133 TYR HD2 . 26518 1 971 . 1 . 1 78 78 TYR HE1 H 1 6.668 0.001 . 1 . . . . . 133 TYR HE1 . 26518 1 972 . 1 . 1 78 78 TYR HE2 H 1 6.668 0.001 . 1 . . . . . 133 TYR HE2 . 26518 1 973 . 1 . 1 78 78 TYR C C 13 174.900 0.000 . 1 . . . . . 133 TYR C . 26518 1 974 . 1 . 1 78 78 TYR CA C 13 56.991 0.088 . 1 . . . . . 133 TYR CA . 26518 1 975 . 1 . 1 78 78 TYR CB C 13 40.784 0.040 . 1 . . . . . 133 TYR CB . 26518 1 976 . 1 . 1 78 78 TYR CD1 C 13 132.861 0.150 . 1 . . . . . 133 TYR CD1 . 26518 1 977 . 1 . 1 78 78 TYR CD2 C 13 132.861 0.150 . 1 . . . . . 133 TYR CD2 . 26518 1 978 . 1 . 1 78 78 TYR CE1 C 13 118.117 0.150 . 1 . . . . . 133 TYR CE1 . 26518 1 979 . 1 . 1 78 78 TYR CE2 C 13 118.117 0.150 . 1 . . . . . 133 TYR CE2 . 26518 1 980 . 1 . 1 78 78 TYR N N 15 124.864 0.150 . 1 . . . . . 133 TYR N . 26518 1 981 . 1 . 1 79 79 GLU H H 1 8.010 0.004 . 1 . . . . . 134 GLU H . 26518 1 982 . 1 . 1 79 79 GLU HA H 1 4.189 0.003 . 1 . . . . . 134 GLU HA . 26518 1 983 . 1 . 1 79 79 GLU HB2 H 1 1.844 0.015 . 2 . . . . . 134 GLU HB2 . 26518 1 984 . 1 . 1 79 79 GLU HB3 H 1 1.794 0.003 . 2 . . . . . 134 GLU HB3 . 26518 1 985 . 1 . 1 79 79 GLU HG2 H 1 2.111 0.007 . 2 . . . . . 134 GLU HG2 . 26518 1 986 . 1 . 1 79 79 GLU HG3 H 1 2.068 0.010 . 2 . . . . . 134 GLU HG3 . 26518 1 987 . 1 . 1 79 79 GLU C C 13 175.495 0.000 . 1 . . . . . 134 GLU C . 26518 1 988 . 1 . 1 79 79 GLU CA C 13 56.716 0.150 . 1 . . . . . 134 GLU CA . 26518 1 989 . 1 . 1 79 79 GLU CB C 13 30.307 0.083 . 1 . . . . . 134 GLU CB . 26518 1 990 . 1 . 1 79 79 GLU CG C 13 36.014 0.069 . 1 . . . . . 134 GLU CG . 26518 1 991 . 1 . 1 79 79 GLU N N 15 123.504 0.150 . 1 . . . . . 134 GLU N . 26518 1 992 . 1 . 1 80 80 SER H H 1 8.454 0.009 . 1 . . . . . 135 SER H . 26518 1 993 . 1 . 1 80 80 SER HA H 1 4.618 0.015 . 1 . . . . . 135 SER HA . 26518 1 994 . 1 . 1 80 80 SER HB2 H 1 3.851 0.015 . 2 . . . . . 135 SER HB2 . 26518 1 995 . 1 . 1 80 80 SER HB3 H 1 3.790 0.007 . 2 . . . . . 135 SER HB3 . 26518 1 996 . 1 . 1 80 80 SER C C 13 174.542 0.000 . 1 . . . . . 135 SER C . 26518 1 997 . 1 . 1 80 80 SER CA C 13 57.468 0.150 . 1 . . . . . 135 SER CA . 26518 1 998 . 1 . 1 80 80 SER CB C 13 64.889 0.012 . 1 . . . . . 135 SER CB . 26518 1 999 . 1 . 1 80 80 SER N N 15 118.780 0.062 . 1 . . . . . 135 SER N . 26518 1 1000 . 1 . 1 81 81 LYS H H 1 8.502 0.015 . 1 . . . . . 136 LYS H . 26518 1 1001 . 1 . 1 81 81 LYS HA H 1 4.424 0.005 . 1 . . . . . 136 LYS HA . 26518 1 1002 . 1 . 1 81 81 LYS HB2 H 1 1.849 0.004 . 2 . . . . . 136 LYS HB2 . 26518 1 1003 . 1 . 1 81 81 LYS HB3 H 1 1.712 0.006 . 2 . . . . . 136 LYS HB3 . 26518 1 1004 . 1 . 1 81 81 LYS HG2 H 1 1.366 0.007 . 2 . . . . . 136 LYS HG2 . 26518 1 1005 . 1 . 1 81 81 LYS HG3 H 1 1.366 0.007 . 2 . . . . . 136 LYS HG3 . 26518 1 1006 . 1 . 1 81 81 LYS HD2 H 1 1.617 0.010 . 2 . . . . . 136 LYS HD2 . 26518 1 1007 . 1 . 1 81 81 LYS HD3 H 1 1.617 0.010 . 2 . . . . . 136 LYS HD3 . 26518 1 1008 . 1 . 1 81 81 LYS HE2 H 1 2.935 0.015 . 2 . . . . . 136 LYS HE2 . 26518 1 1009 . 1 . 1 81 81 LYS HE3 H 1 2.935 0.015 . 2 . . . . . 136 LYS HE3 . 26518 1 1010 . 1 . 1 81 81 LYS C C 13 176.127 0.000 . 1 . . . . . 136 LYS C . 26518 1 1011 . 1 . 1 81 81 LYS CA C 13 56.199 0.052 . 1 . . . . . 136 LYS CA . 26518 1 1012 . 1 . 1 81 81 LYS CB C 13 33.274 0.168 . 1 . . . . . 136 LYS CB . 26518 1 1013 . 1 . 1 81 81 LYS CG C 13 24.733 0.150 . 1 . . . . . 136 LYS CG . 26518 1 1014 . 1 . 1 81 81 LYS CD C 13 29.005 0.082 . 1 . . . . . 136 LYS CD . 26518 1 1015 . 1 . 1 81 81 LYS CE C 13 42.180 0.150 . 1 . . . . . 136 LYS CE . 26518 1 1016 . 1 . 1 81 81 LYS N N 15 122.930 0.002 . 1 . . . . . 136 LYS N . 26518 1 1017 . 1 . 1 82 82 ASP H H 1 8.456 0.015 . 1 . . . . . 137 ASP H . 26518 1 1018 . 1 . 1 82 82 ASP HA H 1 4.478 0.001 . 1 . . . . . 137 ASP HA . 26518 1 1019 . 1 . 1 82 82 ASP HB2 H 1 2.769 0.006 . 2 . . . . . 137 ASP HB2 . 26518 1 1020 . 1 . 1 82 82 ASP HB3 H 1 2.641 0.003 . 2 . . . . . 137 ASP HB3 . 26518 1 1021 . 1 . 1 82 82 ASP C C 13 175.926 0.000 . 1 . . . . . 137 ASP C . 26518 1 1022 . 1 . 1 82 82 ASP CA C 13 54.466 0.166 . 1 . . . . . 137 ASP CA . 26518 1 1023 . 1 . 1 82 82 ASP CB C 13 40.500 0.159 . 1 . . . . . 137 ASP CB . 26518 1 1024 . 1 . 1 82 82 ASP N N 15 120.951 0.003 . 1 . . . . . 137 ASP N . 26518 1 1025 . 1 . 1 83 83 ASN H H 1 8.347 0.010 . 1 . . . . . 138 ASN H . 26518 1 1026 . 1 . 1 83 83 ASN HA H 1 4.550 0.003 . 1 . . . . . 138 ASN HA . 26518 1 1027 . 1 . 1 83 83 ASN HB2 H 1 2.958 0.002 . 2 . . . . . 138 ASN HB2 . 26518 1 1028 . 1 . 1 83 83 ASN HB3 H 1 2.877 0.015 . 2 . . . . . 138 ASN HB3 . 26518 1 1029 . 1 . 1 83 83 ASN C C 13 174.565 0.000 . 1 . . . . . 138 ASN C . 26518 1 1030 . 1 . 1 83 83 ASN CA C 13 54.229 0.122 . 1 . . . . . 138 ASN CA . 26518 1 1031 . 1 . 1 83 83 ASN CB C 13 38.004 0.025 . 1 . . . . . 138 ASN CB . 26518 1 1032 . 1 . 1 83 83 ASN N N 15 114.715 0.150 . 1 . . . . . 138 ASN N . 26518 1 1033 . 1 . 1 84 84 SER H H 1 8.006 0.002 . 1 . . . . . 139 SER H . 26518 1 1034 . 1 . 1 84 84 SER HA H 1 4.649 0.009 . 1 . . . . . 139 SER HA . 26518 1 1035 . 1 . 1 84 84 SER HB2 H 1 3.777 0.002 . 2 . . . . . 139 SER HB2 . 26518 1 1036 . 1 . 1 84 84 SER HB3 H 1 3.777 0.002 . 2 . . . . . 139 SER HB3 . 26518 1 1037 . 1 . 1 84 84 SER C C 13 173.567 0.000 . 1 . . . . . 139 SER C . 26518 1 1038 . 1 . 1 84 84 SER CA C 13 58.134 0.032 . 1 . . . . . 139 SER CA . 26518 1 1039 . 1 . 1 84 84 SER CB C 13 64.756 0.033 . 1 . . . . . 139 SER CB . 26518 1 1040 . 1 . 1 84 84 SER N N 15 114.985 0.012 . 1 . . . . . 139 SER N . 26518 1 1041 . 1 . 1 85 85 GLN H H 1 8.656 0.004 . 1 . . . . . 140 GLN H . 26518 1 1042 . 1 . 1 85 85 GLN HA H 1 4.487 0.003 . 1 . . . . . 140 GLN HA . 26518 1 1043 . 1 . 1 85 85 GLN HB2 H 1 2.153 0.003 . 2 . . . . . 140 GLN HB2 . 26518 1 1044 . 1 . 1 85 85 GLN HB3 H 1 2.153 0.003 . 2 . . . . . 140 GLN HB3 . 26518 1 1045 . 1 . 1 85 85 GLN HG2 H 1 2.330 0.002 . 2 . . . . . 140 GLN HG2 . 26518 1 1046 . 1 . 1 85 85 GLN HG3 H 1 2.330 0.002 . 2 . . . . . 140 GLN HG3 . 26518 1 1047 . 1 . 1 85 85 GLN HE21 H 1 7.529 0.015 . 2 . . . . . 140 GLN HE21 . 26518 1 1048 . 1 . 1 85 85 GLN HE22 H 1 6.985 0.015 . 2 . . . . . 140 GLN HE22 . 26518 1 1049 . 1 . 1 85 85 GLN C C 13 174.245 0.000 . 1 . . . . . 140 GLN C . 26518 1 1050 . 1 . 1 85 85 GLN CA C 13 55.614 0.032 . 1 . . . . . 140 GLN CA . 26518 1 1051 . 1 . 1 85 85 GLN CB C 13 30.951 0.051 . 1 . . . . . 140 GLN CB . 26518 1 1052 . 1 . 1 85 85 GLN CG C 13 34.321 0.050 . 1 . . . . . 140 GLN CG . 26518 1 1053 . 1 . 1 85 85 GLN N N 15 121.813 0.010 . 1 . . . . . 140 GLN N . 26518 1 1054 . 1 . 1 85 85 GLN NE2 N 15 113.114 0.017 . 1 . . . . . 140 GLN NE2 . 26518 1 1055 . 1 . 1 86 86 GLN H H 1 8.252 0.004 . 1 . . . . . 141 GLN H . 26518 1 1056 . 1 . 1 86 86 GLN HA H 1 5.418 0.016 . 1 . . . . . 141 GLN HA . 26518 1 1057 . 1 . 1 86 86 GLN HB2 H 1 1.886 0.004 . 2 . . . . . 141 GLN HB2 . 26518 1 1058 . 1 . 1 86 86 GLN HB3 H 1 1.886 0.004 . 2 . . . . . 141 GLN HB3 . 26518 1 1059 . 1 . 1 86 86 GLN HG2 H 1 2.001 0.004 . 2 . . . . . 141 GLN HG2 . 26518 1 1060 . 1 . 1 86 86 GLN HG3 H 1 2.001 0.004 . 2 . . . . . 141 GLN HG3 . 26518 1 1061 . 1 . 1 86 86 GLN C C 13 174.190 0.000 . 1 . . . . . 141 GLN C . 26518 1 1062 . 1 . 1 86 86 GLN CA C 13 54.360 0.079 . 1 . . . . . 141 GLN CA . 26518 1 1063 . 1 . 1 86 86 GLN CB C 13 32.730 0.150 . 1 . . . . . 141 GLN CB . 26518 1 1064 . 1 . 1 86 86 GLN CG C 13 35.332 0.028 . 1 . . . . . 141 GLN CG . 26518 1 1065 . 1 . 1 86 86 GLN N N 15 121.756 0.017 . 1 . . . . . 141 GLN N . 26518 1 1066 . 1 . 1 87 87 TYR H H 1 9.150 0.014 . 1 . . . . . 142 TYR H . 26518 1 1067 . 1 . 1 87 87 TYR HA H 1 5.156 0.005 . 1 . . . . . 142 TYR HA . 26518 1 1068 . 1 . 1 87 87 TYR HB2 H 1 2.703 0.007 . 2 . . . . . 142 TYR HB2 . 26518 1 1069 . 1 . 1 87 87 TYR HB3 H 1 2.347 0.012 . 2 . . . . . 142 TYR HB3 . 26518 1 1070 . 1 . 1 87 87 TYR HD1 H 1 6.708 0.002 . 1 . . . . . 142 TYR HD1 . 26518 1 1071 . 1 . 1 87 87 TYR HD2 H 1 6.708 0.002 . 1 . . . . . 142 TYR HD2 . 26518 1 1072 . 1 . 1 87 87 TYR HE1 H 1 6.650 0.015 . 1 . . . . . 142 TYR HE1 . 26518 1 1073 . 1 . 1 87 87 TYR HE2 H 1 6.650 0.015 . 1 . . . . . 142 TYR HE2 . 26518 1 1074 . 1 . 1 87 87 TYR C C 13 173.976 0.000 . 1 . . . . . 142 TYR C . 26518 1 1075 . 1 . 1 87 87 TYR CA C 13 56.832 0.019 . 1 . . . . . 142 TYR CA . 26518 1 1076 . 1 . 1 87 87 TYR CB C 13 42.833 0.099 . 1 . . . . . 142 TYR CB . 26518 1 1077 . 1 . 1 87 87 TYR CD1 C 13 133.183 0.085 . 1 . . . . . 142 TYR CD1 . 26518 1 1078 . 1 . 1 87 87 TYR CD2 C 13 133.183 0.085 . 1 . . . . . 142 TYR CD2 . 26518 1 1079 . 1 . 1 87 87 TYR CE1 C 13 117.966 0.150 . 1 . . . . . 142 TYR CE1 . 26518 1 1080 . 1 . 1 87 87 TYR CE2 C 13 117.966 0.150 . 1 . . . . . 142 TYR CE2 . 26518 1 1081 . 1 . 1 87 87 TYR N N 15 120.361 0.045 . 1 . . . . . 142 TYR N . 26518 1 1082 . 1 . 1 88 88 LEU H H 1 9.445 0.015 . 1 . . . . . 143 LEU H . 26518 1 1083 . 1 . 1 88 88 LEU HA H 1 4.974 0.004 . 1 . . . . . 143 LEU HA . 26518 1 1084 . 1 . 1 88 88 LEU HB2 H 1 1.353 0.018 . 2 . . . . . 143 LEU HB2 . 26518 1 1085 . 1 . 1 88 88 LEU HB3 H 1 1.722 0.004 . 2 . . . . . 143 LEU HB3 . 26518 1 1086 . 1 . 1 88 88 LEU HG H 1 1.387 0.014 . 1 . . . . . 143 LEU HG . 26518 1 1087 . 1 . 1 88 88 LEU HD11 H 1 0.688 0.001 . 2 . . . . . 143 LEU QD1 . 26518 1 1088 . 1 . 1 88 88 LEU HD12 H 1 0.688 0.001 . 2 . . . . . 143 LEU QD1 . 26518 1 1089 . 1 . 1 88 88 LEU HD13 H 1 0.688 0.001 . 2 . . . . . 143 LEU QD1 . 26518 1 1090 . 1 . 1 88 88 LEU HD21 H 1 0.736 0.012 . 2 . . . . . 143 LEU QD2 . 26518 1 1091 . 1 . 1 88 88 LEU HD22 H 1 0.736 0.012 . 2 . . . . . 143 LEU QD2 . 26518 1 1092 . 1 . 1 88 88 LEU HD23 H 1 0.736 0.012 . 2 . . . . . 143 LEU QD2 . 26518 1 1093 . 1 . 1 88 88 LEU CA C 13 54.308 0.011 . 1 . . . . . 143 LEU CA . 26518 1 1094 . 1 . 1 88 88 LEU CB C 13 43.428 0.091 . 1 . . . . . 143 LEU CB . 26518 1 1095 . 1 . 1 88 88 LEU CG C 13 27.602 0.150 . 1 . . . . . 143 LEU CG . 26518 1 1096 . 1 . 1 88 88 LEU CD1 C 13 24.058 0.064 . 1 . . . . . 143 LEU CD1 . 26518 1 1097 . 1 . 1 88 88 LEU CD2 C 13 25.243 0.074 . 1 . . . . . 143 LEU CD2 . 26518 1 1098 . 1 . 1 88 88 LEU N N 15 124.832 0.150 . 1 . . . . . 143 LEU N . 26518 1 1099 . 1 . 1 89 89 VAL H H 1 9.494 0.003 . 1 . . . . . 144 VAL H . 26518 1 1100 . 1 . 1 89 89 VAL HA H 1 4.919 0.003 . 1 . . . . . 144 VAL HA . 26518 1 1101 . 1 . 1 89 89 VAL HB H 1 1.877 0.003 . 1 . . . . . 144 VAL HB . 26518 1 1102 . 1 . 1 89 89 VAL HG11 H 1 0.303 0.002 . 2 . . . . . 144 VAL QG1 . 26518 1 1103 . 1 . 1 89 89 VAL HG12 H 1 0.303 0.002 . 2 . . . . . 144 VAL QG1 . 26518 1 1104 . 1 . 1 89 89 VAL HG13 H 1 0.303 0.002 . 2 . . . . . 144 VAL QG1 . 26518 1 1105 . 1 . 1 89 89 VAL HG21 H 1 0.861 0.005 . 2 . . . . . 144 VAL QG2 . 26518 1 1106 . 1 . 1 89 89 VAL HG22 H 1 0.861 0.005 . 2 . . . . . 144 VAL QG2 . 26518 1 1107 . 1 . 1 89 89 VAL HG23 H 1 0.861 0.005 . 2 . . . . . 144 VAL QG2 . 26518 1 1108 . 1 . 1 89 89 VAL C C 13 174.714 0.000 . 1 . . . . . 144 VAL C . 26518 1 1109 . 1 . 1 89 89 VAL CA C 13 60.887 0.039 . 1 . . . . . 144 VAL CA . 26518 1 1110 . 1 . 1 89 89 VAL CB C 13 34.271 0.020 . 1 . . . . . 144 VAL CB . 26518 1 1111 . 1 . 1 89 89 VAL CG1 C 13 20.809 0.008 . 1 . . . . . 144 VAL CG1 . 26518 1 1112 . 1 . 1 89 89 VAL CG2 C 13 22.737 0.014 . 1 . . . . . 144 VAL CG2 . 26518 1 1113 . 1 . 1 89 89 VAL N N 15 128.899 0.053 . 1 . . . . . 144 VAL N . 26518 1 1114 . 1 . 1 90 90 THR H H 1 8.804 0.010 . 1 . . . . . 145 THR H . 26518 1 1115 . 1 . 1 90 90 THR HA H 1 5.374 0.001 . 1 . . . . . 145 THR HA . 26518 1 1116 . 1 . 1 90 90 THR HB H 1 3.728 0.004 . 1 . . . . . 145 THR HB . 26518 1 1117 . 1 . 1 90 90 THR HG21 H 1 1.060 0.002 . 1 . . . . . 145 THR QG2 . 26518 1 1118 . 1 . 1 90 90 THR HG22 H 1 1.060 0.002 . 1 . . . . . 145 THR QG2 . 26518 1 1119 . 1 . 1 90 90 THR HG23 H 1 1.060 0.002 . 1 . . . . . 145 THR QG2 . 26518 1 1120 . 1 . 1 90 90 THR C C 13 173.239 0.000 . 1 . . . . . 145 THR C . 26518 1 1121 . 1 . 1 90 90 THR CA C 13 60.506 0.010 . 1 . . . . . 145 THR CA . 26518 1 1122 . 1 . 1 90 90 THR CB C 13 71.515 0.130 . 1 . . . . . 145 THR CB . 26518 1 1123 . 1 . 1 90 90 THR CG2 C 13 21.408 0.150 . 1 . . . . . 145 THR CG2 . 26518 1 1124 . 1 . 1 90 90 THR N N 15 122.846 0.061 . 1 . . . . . 145 THR N . 26518 1 1125 . 1 . 1 91 91 ALA H H 1 8.445 0.007 . 1 . . . . . 146 ALA H . 26518 1 1126 . 1 . 1 91 91 ALA HA H 1 4.921 0.004 . 1 . . . . . 146 ALA HA . 26518 1 1127 . 1 . 1 91 91 ALA HB1 H 1 0.778 0.001 . 1 . . . . . 146 ALA HB . 26518 1 1128 . 1 . 1 91 91 ALA HB2 H 1 0.778 0.001 . 1 . . . . . 146 ALA HB . 26518 1 1129 . 1 . 1 91 91 ALA HB3 H 1 0.778 0.001 . 1 . . . . . 146 ALA HB . 26518 1 1130 . 1 . 1 91 91 ALA CA C 13 48.639 0.150 . 1 . . . . . 146 ALA CA . 26518 1 1131 . 1 . 1 91 91 ALA CB C 13 21.494 0.024 . 1 . . . . . 146 ALA CB . 26518 1 1132 . 1 . 1 91 91 ALA N N 15 126.523 0.056 . 1 . . . . . 146 ALA N . 26518 1 1133 . 1 . 1 92 92 PRO HA H 1 4.568 0.008 . 1 . . . . . 147 PRO HA . 26518 1 1134 . 1 . 1 92 92 PRO HB2 H 1 2.048 0.001 . 2 . . . . . 147 PRO HB2 . 26518 1 1135 . 1 . 1 92 92 PRO HB3 H 1 1.614 0.008 . 2 . . . . . 147 PRO HB3 . 26518 1 1136 . 1 . 1 92 92 PRO HG2 H 1 2.180 0.004 . 2 . . . . . 147 PRO HG2 . 26518 1 1137 . 1 . 1 92 92 PRO HG3 H 1 1.927 0.003 . 2 . . . . . 147 PRO HG3 . 26518 1 1138 . 1 . 1 92 92 PRO HD2 H 1 3.795 0.003 . 2 . . . . . 147 PRO HD2 . 26518 1 1139 . 1 . 1 92 92 PRO HD3 H 1 3.299 0.005 . 2 . . . . . 147 PRO HD3 . 26518 1 1140 . 1 . 1 92 92 PRO C C 13 173.977 0.000 . 1 . . . . . 147 PRO C . 26518 1 1141 . 1 . 1 92 92 PRO CA C 13 61.373 0.102 . 1 . . . . . 147 PRO CA . 26518 1 1142 . 1 . 1 92 92 PRO CB C 13 30.638 0.053 . 1 . . . . . 147 PRO CB . 26518 1 1143 . 1 . 1 92 92 PRO CG C 13 27.473 0.059 . 1 . . . . . 147 PRO CG . 26518 1 1144 . 1 . 1 92 92 PRO CD C 13 51.157 0.044 . 1 . . . . . 147 PRO CD . 26518 1 1145 . 1 . 1 93 93 ILE H H 1 8.545 0.006 . 1 . . . . . 148 ILE H . 26518 1 1146 . 1 . 1 93 93 ILE HA H 1 3.936 0.003 . 1 . . . . . 148 ILE HA . 26518 1 1147 . 1 . 1 93 93 ILE HB H 1 0.506 0.015 . 1 . . . . . 148 ILE HB . 26518 1 1148 . 1 . 1 93 93 ILE HG12 H 1 0.815 0.014 . 2 . . . . . 148 ILE HG12 . 26518 1 1149 . 1 . 1 93 93 ILE HG13 H 1 0.404 0.009 . 2 . . . . . 148 ILE HG13 . 26518 1 1150 . 1 . 1 93 93 ILE HG21 H 1 0.477 0.008 . 1 . . . . . 148 ILE QG2 . 26518 1 1151 . 1 . 1 93 93 ILE HG22 H 1 0.477 0.008 . 1 . . . . . 148 ILE QG2 . 26518 1 1152 . 1 . 1 93 93 ILE HG23 H 1 0.477 0.008 . 1 . . . . . 148 ILE QG2 . 26518 1 1153 . 1 . 1 93 93 ILE HD11 H 1 -0.170 0.002 . 1 . . . . . 148 ILE QD1 . 26518 1 1154 . 1 . 1 93 93 ILE HD12 H 1 -0.170 0.002 . 1 . . . . . 148 ILE QD1 . 26518 1 1155 . 1 . 1 93 93 ILE HD13 H 1 -0.170 0.002 . 1 . . . . . 148 ILE QD1 . 26518 1 1156 . 1 . 1 93 93 ILE C C 13 174.996 0.000 . 1 . . . . . 148 ILE C . 26518 1 1157 . 1 . 1 93 93 ILE CA C 13 58.184 0.151 . 1 . . . . . 148 ILE CA . 26518 1 1158 . 1 . 1 93 93 ILE CB C 13 36.518 0.020 . 1 . . . . . 148 ILE CB . 26518 1 1159 . 1 . 1 93 93 ILE CG1 C 13 26.907 0.062 . 1 . . . . . 148 ILE CG1 . 26518 1 1160 . 1 . 1 93 93 ILE CG2 C 13 18.438 0.013 . 1 . . . . . 148 ILE CG2 . 26518 1 1161 . 1 . 1 93 93 ILE CD1 C 13 9.411 0.011 . 1 . . . . . 148 ILE CD1 . 26518 1 1162 . 1 . 1 93 93 ILE N N 15 125.991 0.002 . 1 . . . . . 148 ILE N . 26518 1 1163 . 1 . 1 94 94 HIS H H 1 8.146 0.004 . 1 . . . . . 149 HIS H . 26518 1 1164 . 1 . 1 94 94 HIS HA H 1 5.306 0.005 . 1 . . . . . 149 HIS HA . 26518 1 1165 . 1 . 1 94 94 HIS HB2 H 1 3.141 0.024 . 2 . . . . . 149 HIS HB2 . 26518 1 1166 . 1 . 1 94 94 HIS HB3 H 1 3.015 0.012 . 2 . . . . . 149 HIS HB3 . 26518 1 1167 . 1 . 1 94 94 HIS HD2 H 1 7.046 0.015 . 1 . . . . . 149 HIS HD2 . 26518 1 1168 . 1 . 1 94 94 HIS HE1 H 1 8.435 0.012 . 1 . . . . . 149 HIS HE1 . 26518 1 1169 . 1 . 1 94 94 HIS C C 13 174.810 0.000 . 1 . . . . . 149 HIS C . 26518 1 1170 . 1 . 1 94 94 HIS CA C 13 53.605 0.070 . 1 . . . . . 149 HIS CA . 26518 1 1171 . 1 . 1 94 94 HIS CB C 13 29.057 0.077 . 1 . . . . . 149 HIS CB . 26518 1 1172 . 1 . 1 94 94 HIS CD2 C 13 120.636 0.091 . 1 . . . . . 149 HIS CD2 . 26518 1 1173 . 1 . 1 94 94 HIS CE1 C 13 136.171 0.150 . 1 . . . . . 149 HIS CE1 . 26518 1 1174 . 1 . 1 94 94 HIS N N 15 123.690 0.005 . 1 . . . . . 149 HIS N . 26518 1 1175 . 1 . 1 95 95 GLN H H 1 8.779 0.010 . 1 . . . . . 150 GLN H . 26518 1 1176 . 1 . 1 95 95 GLN HA H 1 5.557 0.002 . 1 . . . . . 150 GLN HA . 26518 1 1177 . 1 . 1 95 95 GLN HB2 H 1 2.337 0.005 . 2 . . . . . 150 GLN HB2 . 26518 1 1178 . 1 . 1 95 95 GLN HB3 H 1 2.050 0.002 . 2 . . . . . 150 GLN HB3 . 26518 1 1179 . 1 . 1 95 95 GLN HG2 H 1 2.445 0.012 . 2 . . . . . 150 GLN HG2 . 26518 1 1180 . 1 . 1 95 95 GLN HG3 H 1 2.445 0.012 . 2 . . . . . 150 GLN HG3 . 26518 1 1181 . 1 . 1 95 95 GLN HE21 H 1 7.692 0.015 . 2 . . . . . 150 GLN HE21 . 26518 1 1182 . 1 . 1 95 95 GLN HE22 H 1 6.865 0.015 . 2 . . . . . 150 GLN HE22 . 26518 1 1183 . 1 . 1 95 95 GLN C C 13 176.392 0.000 . 1 . . . . . 150 GLN C . 26518 1 1184 . 1 . 1 95 95 GLN CA C 13 54.127 0.150 . 1 . . . . . 150 GLN CA . 26518 1 1185 . 1 . 1 95 95 GLN CB C 13 32.328 0.059 . 1 . . . . . 150 GLN CB . 26518 1 1186 . 1 . 1 95 95 GLN CG C 13 34.857 0.020 . 1 . . . . . 150 GLN CG . 26518 1 1187 . 1 . 1 95 95 GLN N N 15 123.731 0.046 . 1 . . . . . 150 GLN N . 26518 1 1188 . 1 . 1 95 95 GLN NE2 N 15 109.192 0.150 . 1 . . . . . 150 GLN NE2 . 26518 1 1189 . 1 . 1 96 96 VAL H H 1 8.916 0.018 . 1 . . . . . 151 VAL H . 26518 1 1190 . 1 . 1 96 96 VAL HA H 1 4.592 0.009 . 1 . . . . . 151 VAL HA . 26518 1 1191 . 1 . 1 96 96 VAL HB H 1 1.938 0.003 . 1 . . . . . 151 VAL HB . 26518 1 1192 . 1 . 1 96 96 VAL HG11 H 1 0.729 0.002 . 2 . . . . . 151 VAL QG1 . 26518 1 1193 . 1 . 1 96 96 VAL HG12 H 1 0.729 0.002 . 2 . . . . . 151 VAL QG1 . 26518 1 1194 . 1 . 1 96 96 VAL HG13 H 1 0.729 0.002 . 2 . . . . . 151 VAL QG1 . 26518 1 1195 . 1 . 1 96 96 VAL HG21 H 1 0.785 0.015 . 2 . . . . . 151 VAL QG2 . 26518 1 1196 . 1 . 1 96 96 VAL HG22 H 1 0.785 0.015 . 2 . . . . . 151 VAL QG2 . 26518 1 1197 . 1 . 1 96 96 VAL HG23 H 1 0.785 0.015 . 2 . . . . . 151 VAL QG2 . 26518 1 1198 . 1 . 1 96 96 VAL C C 13 174.788 0.000 . 1 . . . . . 151 VAL C . 26518 1 1199 . 1 . 1 96 96 VAL CA C 13 62.197 0.113 . 1 . . . . . 151 VAL CA . 26518 1 1200 . 1 . 1 96 96 VAL CB C 13 34.010 0.106 . 1 . . . . . 151 VAL CB . 26518 1 1201 . 1 . 1 96 96 VAL CG1 C 13 21.625 0.004 . 1 . . . . . 151 VAL CG1 . 26518 1 1202 . 1 . 1 96 96 VAL CG2 C 13 20.930 0.028 . 1 . . . . . 151 VAL CG2 . 26518 1 1203 . 1 . 1 96 96 VAL N N 15 123.134 0.150 . 1 . . . . . 151 VAL N . 26518 1 1204 . 1 . 1 97 97 PHE H H 1 8.886 0.004 . 1 . . . . . 152 PHE H . 26518 1 1205 . 1 . 1 97 97 PHE HA H 1 5.294 0.004 . 1 . . . . . 152 PHE HA . 26518 1 1206 . 1 . 1 97 97 PHE HB2 H 1 3.153 0.002 . 2 . . . . . 152 PHE HB2 . 26518 1 1207 . 1 . 1 97 97 PHE HB3 H 1 3.153 0.002 . 2 . . . . . 152 PHE HB3 . 26518 1 1208 . 1 . 1 97 97 PHE HD1 H 1 7.221 0.004 . 1 . . . . . 152 PHE HD1 . 26518 1 1209 . 1 . 1 97 97 PHE HD2 H 1 7.221 0.004 . 1 . . . . . 152 PHE HD2 . 26518 1 1210 . 1 . 1 97 97 PHE HE1 H 1 7.283 0.015 . 1 . . . . . 152 PHE HE1 . 26518 1 1211 . 1 . 1 97 97 PHE HE2 H 1 7.283 0.015 . 1 . . . . . 152 PHE HE2 . 26518 1 1212 . 1 . 1 97 97 PHE C C 13 175.431 0.000 . 1 . . . . . 152 PHE C . 26518 1 1213 . 1 . 1 97 97 PHE CA C 13 55.542 0.030 . 1 . . . . . 152 PHE CA . 26518 1 1214 . 1 . 1 97 97 PHE CB C 13 40.406 0.030 . 1 . . . . . 152 PHE CB . 26518 1 1215 . 1 . 1 97 97 PHE CD1 C 13 131.199 0.130 . 1 . . . . . 152 PHE CD1 . 26518 1 1216 . 1 . 1 97 97 PHE CD2 C 13 131.199 0.130 . 1 . . . . . 152 PHE CD2 . 26518 1 1217 . 1 . 1 97 97 PHE CE1 C 13 130.972 0.150 . 1 . . . . . 152 PHE CE1 . 26518 1 1218 . 1 . 1 97 97 PHE CE2 C 13 130.972 0.150 . 1 . . . . . 152 PHE CE2 . 26518 1 1219 . 1 . 1 97 97 PHE N N 15 127.880 0.018 . 1 . . . . . 152 PHE N . 26518 1 1220 . 1 . 1 98 98 ASN H H 1 9.418 0.002 . 1 . . . . . 153 ASN H . 26518 1 1221 . 1 . 1 98 98 ASN HA H 1 4.363 0.001 . 1 . . . . . 153 ASN HA . 26518 1 1222 . 1 . 1 98 98 ASN HB2 H 1 3.090 0.005 . 2 . . . . . 153 ASN HB2 . 26518 1 1223 . 1 . 1 98 98 ASN HB3 H 1 2.536 0.006 . 2 . . . . . 153 ASN HB3 . 26518 1 1224 . 1 . 1 98 98 ASN HD21 H 1 7.466 0.001 . 2 . . . . . 153 ASN HD21 . 26518 1 1225 . 1 . 1 98 98 ASN HD22 H 1 6.718 0.001 . 2 . . . . . 153 ASN HD22 . 26518 1 1226 . 1 . 1 98 98 ASN C C 13 175.548 0.000 . 1 . . . . . 153 ASN C . 26518 1 1227 . 1 . 1 98 98 ASN CA C 13 54.139 0.018 . 1 . . . . . 153 ASN CA . 26518 1 1228 . 1 . 1 98 98 ASN CB C 13 37.346 0.049 . 1 . . . . . 153 ASN CB . 26518 1 1229 . 1 . 1 98 98 ASN N N 15 126.727 0.004 . 1 . . . . . 153 ASN N . 26518 1 1230 . 1 . 1 98 98 ASN ND2 N 15 112.045 0.022 . 1 . . . . . 153 ASN ND2 . 26518 1 1231 . 1 . 1 99 99 GLY H H 1 8.583 0.004 . 1 . . . . . 154 GLY H . 26518 1 1232 . 1 . 1 99 99 GLY HA2 H 1 4.229 0.002 . 2 . . . . . 154 GLY HA2 . 26518 1 1233 . 1 . 1 99 99 GLY HA3 H 1 3.513 0.007 . 2 . . . . . 154 GLY HA3 . 26518 1 1234 . 1 . 1 99 99 GLY C C 13 174.190 0.000 . 1 . . . . . 154 GLY C . 26518 1 1235 . 1 . 1 99 99 GLY CA C 13 45.521 0.036 . 1 . . . . . 154 GLY CA . 26518 1 1236 . 1 . 1 99 99 GLY N N 15 103.725 0.015 . 1 . . . . . 154 GLY N . 26518 1 1237 . 1 . 1 100 100 THR H H 1 8.032 0.002 . 1 . . . . . 155 THR H . 26518 1 1238 . 1 . 1 100 100 THR HA H 1 4.479 0.005 . 1 . . . . . 155 THR HA . 26518 1 1239 . 1 . 1 100 100 THR HB H 1 4.224 0.001 . 1 . . . . . 155 THR HB . 26518 1 1240 . 1 . 1 100 100 THR HG21 H 1 1.248 0.002 . 1 . . . . . 155 THR QG2 . 26518 1 1241 . 1 . 1 100 100 THR HG22 H 1 1.248 0.002 . 1 . . . . . 155 THR QG2 . 26518 1 1242 . 1 . 1 100 100 THR HG23 H 1 1.248 0.002 . 1 . . . . . 155 THR QG2 . 26518 1 1243 . 1 . 1 100 100 THR C C 13 173.624 0.000 . 1 . . . . . 155 THR C . 26518 1 1244 . 1 . 1 100 100 THR CA C 13 62.030 0.051 . 1 . . . . . 155 THR CA . 26518 1 1245 . 1 . 1 100 100 THR CB C 13 70.077 0.076 . 1 . . . . . 155 THR CB . 26518 1 1246 . 1 . 1 100 100 THR CG2 C 13 21.788 0.033 . 1 . . . . . 155 THR CG2 . 26518 1 1247 . 1 . 1 100 100 THR N N 15 118.360 0.004 . 1 . . . . . 155 THR N . 26518 1 1248 . 1 . 1 101 101 LYS H H 1 8.878 0.008 . 1 . . . . . 156 LYS H . 26518 1 1249 . 1 . 1 101 101 LYS HA H 1 4.616 0.011 . 1 . . . . . 156 LYS HA . 26518 1 1250 . 1 . 1 101 101 LYS HB2 H 1 1.915 0.001 . 2 . . . . . 156 LYS HB2 . 26518 1 1251 . 1 . 1 101 101 LYS HB3 H 1 1.798 0.003 . 2 . . . . . 156 LYS HB3 . 26518 1 1252 . 1 . 1 101 101 LYS HG2 H 1 1.568 0.015 . 2 . . . . . 156 LYS HG2 . 26518 1 1253 . 1 . 1 101 101 LYS HG3 H 1 1.413 0.015 . 2 . . . . . 156 LYS HG3 . 26518 1 1254 . 1 . 1 101 101 LYS HD2 H 1 1.721 0.015 . 2 . . . . . 156 LYS HD2 . 26518 1 1255 . 1 . 1 101 101 LYS HD3 H 1 1.721 0.015 . 2 . . . . . 156 LYS HD3 . 26518 1 1256 . 1 . 1 101 101 LYS HE2 H 1 2.975 0.015 . 2 . . . . . 156 LYS HE2 . 26518 1 1257 . 1 . 1 101 101 LYS HE3 H 1 2.975 0.015 . 2 . . . . . 156 LYS HE3 . 26518 1 1258 . 1 . 1 101 101 LYS C C 13 175.748 0.000 . 1 . . . . . 156 LYS C . 26518 1 1259 . 1 . 1 101 101 LYS CA C 13 57.299 0.150 . 1 . . . . . 156 LYS CA . 26518 1 1260 . 1 . 1 101 101 LYS CB C 13 33.389 0.040 . 1 . . . . . 156 LYS CB . 26518 1 1261 . 1 . 1 101 101 LYS CG C 13 25.315 0.104 . 1 . . . . . 156 LYS CG . 26518 1 1262 . 1 . 1 101 101 LYS CD C 13 29.406 0.150 . 1 . . . . . 156 LYS CD . 26518 1 1263 . 1 . 1 101 101 LYS N N 15 128.836 0.038 . 1 . . . . . 156 LYS N . 26518 1 1264 . 1 . 1 102 102 ASN H H 1 8.833 0.007 . 1 . . . . . 157 ASN H . 26518 1 1265 . 1 . 1 102 102 ASN HA H 1 4.923 0.007 . 1 . . . . . 157 ASN HA . 26518 1 1266 . 1 . 1 102 102 ASN HB2 H 1 2.745 0.007 . 2 . . . . . 157 ASN HB2 . 26518 1 1267 . 1 . 1 102 102 ASN HB3 H 1 2.637 0.003 . 2 . . . . . 157 ASN HB3 . 26518 1 1268 . 1 . 1 102 102 ASN HD21 H 1 7.356 0.001 . 2 . . . . . 157 ASN HD21 . 26518 1 1269 . 1 . 1 102 102 ASN HD22 H 1 6.594 0.015 . 2 . . . . . 157 ASN HD22 . 26518 1 1270 . 1 . 1 102 102 ASN C C 13 172.364 0.000 . 1 . . . . . 157 ASN C . 26518 1 1271 . 1 . 1 102 102 ASN CA C 13 53.200 0.030 . 1 . . . . . 157 ASN CA . 26518 1 1272 . 1 . 1 102 102 ASN CB C 13 41.104 0.037 . 1 . . . . . 157 ASN CB . 26518 1 1273 . 1 . 1 102 102 ASN N N 15 122.957 0.006 . 1 . . . . . 157 ASN N . 26518 1 1274 . 1 . 1 102 102 ASN ND2 N 15 111.903 0.029 . 1 . . . . . 157 ASN ND2 . 26518 1 1275 . 1 . 1 103 103 ASP H H 1 8.401 0.007 . 1 . . . . . 158 ASP H . 26518 1 1276 . 1 . 1 103 103 ASP HA H 1 5.572 0.001 . 1 . . . . . 158 ASP HA . 26518 1 1277 . 1 . 1 103 103 ASP HB2 H 1 2.675 0.003 . 2 . . . . . 158 ASP HB2 . 26518 1 1278 . 1 . 1 103 103 ASP HB3 H 1 2.552 0.006 . 2 . . . . . 158 ASP HB3 . 26518 1 1279 . 1 . 1 103 103 ASP C C 13 174.883 0.000 . 1 . . . . . 158 ASP C . 26518 1 1280 . 1 . 1 103 103 ASP CA C 13 53.541 0.058 . 1 . . . . . 158 ASP CA . 26518 1 1281 . 1 . 1 103 103 ASP CB C 13 43.016 0.070 . 1 . . . . . 158 ASP CB . 26518 1 1282 . 1 . 1 103 103 ASP N N 15 124.870 0.001 . 1 . . . . . 158 ASP N . 26518 1 1283 . 1 . 1 104 104 PHE H H 1 8.253 0.003 . 1 . . . . . 159 PHE H . 26518 1 1284 . 1 . 1 104 104 PHE HA H 1 4.880 0.002 . 1 . . . . . 159 PHE HA . 26518 1 1285 . 1 . 1 104 104 PHE HB2 H 1 2.946 0.002 . 2 . . . . . 159 PHE HB2 . 26518 1 1286 . 1 . 1 104 104 PHE HB3 H 1 3.095 0.007 . 2 . . . . . 159 PHE HB3 . 26518 1 1287 . 1 . 1 104 104 PHE HD1 H 1 6.769 0.004 . 1 . . . . . 159 PHE HD1 . 26518 1 1288 . 1 . 1 104 104 PHE HD2 H 1 6.769 0.004 . 1 . . . . . 159 PHE HD2 . 26518 1 1289 . 1 . 1 104 104 PHE HE1 H 1 6.962 0.005 . 1 . . . . . 159 PHE HE1 . 26518 1 1290 . 1 . 1 104 104 PHE HE2 H 1 6.962 0.005 . 1 . . . . . 159 PHE HE2 . 26518 1 1291 . 1 . 1 104 104 PHE HZ H 1 7.040 0.015 . 1 . . . . . 159 PHE HZ . 26518 1 1292 . 1 . 1 104 104 PHE C C 13 172.133 0.000 . 1 . . . . . 159 PHE C . 26518 1 1293 . 1 . 1 104 104 PHE CA C 13 55.683 0.023 . 1 . . . . . 159 PHE CA . 26518 1 1294 . 1 . 1 104 104 PHE CB C 13 40.148 0.091 . 1 . . . . . 159 PHE CB . 26518 1 1295 . 1 . 1 104 104 PHE CD1 C 13 132.614 0.021 . 1 . . . . . 159 PHE CD1 . 26518 1 1296 . 1 . 1 104 104 PHE CD2 C 13 132.614 0.021 . 1 . . . . . 159 PHE CD2 . 26518 1 1297 . 1 . 1 104 104 PHE CE1 C 13 130.717 0.064 . 1 . . . . . 159 PHE CE1 . 26518 1 1298 . 1 . 1 104 104 PHE CE2 C 13 130.717 0.064 . 1 . . . . . 159 PHE CE2 . 26518 1 1299 . 1 . 1 104 104 PHE CZ C 13 129.254 0.150 . 1 . . . . . 159 PHE CZ . 26518 1 1300 . 1 . 1 104 104 PHE N N 15 119.907 0.025 . 1 . . . . . 159 PHE N . 26518 1 1301 . 1 . 1 105 105 GLU H H 1 8.561 0.012 . 1 . . . . . 160 GLU H . 26518 1 1302 . 1 . 1 105 105 GLU HA H 1 4.903 0.003 . 1 . . . . . 160 GLU HA . 26518 1 1303 . 1 . 1 105 105 GLU HB2 H 1 1.772 0.013 . 2 . . . . . 160 GLU HB2 . 26518 1 1304 . 1 . 1 105 105 GLU HB3 H 1 1.707 0.009 . 2 . . . . . 160 GLU HB3 . 26518 1 1305 . 1 . 1 105 105 GLU HG2 H 1 1.978 0.003 . 2 . . . . . 160 GLU HG2 . 26518 1 1306 . 1 . 1 105 105 GLU HG3 H 1 1.804 0.009 . 2 . . . . . 160 GLU HG3 . 26518 1 1307 . 1 . 1 105 105 GLU C C 13 176.102 0.000 . 1 . . . . . 160 GLU C . 26518 1 1308 . 1 . 1 105 105 GLU CA C 13 54.751 0.086 . 1 . . . . . 160 GLU CA . 26518 1 1309 . 1 . 1 105 105 GLU CB C 13 32.178 0.057 . 1 . . . . . 160 GLU CB . 26518 1 1310 . 1 . 1 105 105 GLU CG C 13 37.026 0.017 . 1 . . . . . 160 GLU CG . 26518 1 1311 . 1 . 1 105 105 GLU N N 15 120.099 0.024 . 1 . . . . . 160 GLU N . 26518 1 1312 . 1 . 1 106 106 ILE H H 1 8.471 0.005 . 1 . . . . . 161 ILE H . 26518 1 1313 . 1 . 1 106 106 ILE HA H 1 4.613 0.002 . 1 . . . . . 161 ILE HA . 26518 1 1314 . 1 . 1 106 106 ILE HB H 1 1.667 0.009 . 1 . . . . . 161 ILE HB . 26518 1 1315 . 1 . 1 106 106 ILE HG12 H 1 1.462 0.005 . 2 . . . . . 161 ILE HG12 . 26518 1 1316 . 1 . 1 106 106 ILE HG13 H 1 1.095 0.002 . 2 . . . . . 161 ILE HG13 . 26518 1 1317 . 1 . 1 106 106 ILE HG21 H 1 0.913 0.002 . 1 . . . . . 161 ILE QG2 . 26518 1 1318 . 1 . 1 106 106 ILE HG22 H 1 0.913 0.002 . 1 . . . . . 161 ILE QG2 . 26518 1 1319 . 1 . 1 106 106 ILE HG23 H 1 0.913 0.002 . 1 . . . . . 161 ILE QG2 . 26518 1 1320 . 1 . 1 106 106 ILE HD11 H 1 0.705 0.004 . 1 . . . . . 161 ILE QD1 . 26518 1 1321 . 1 . 1 106 106 ILE HD12 H 1 0.705 0.004 . 1 . . . . . 161 ILE QD1 . 26518 1 1322 . 1 . 1 106 106 ILE HD13 H 1 0.705 0.004 . 1 . . . . . 161 ILE QD1 . 26518 1 1323 . 1 . 1 106 106 ILE C C 13 173.740 0.000 . 1 . . . . . 161 ILE C . 26518 1 1324 . 1 . 1 106 106 ILE CA C 13 59.462 0.043 . 1 . . . . . 161 ILE CA . 26518 1 1325 . 1 . 1 106 106 ILE CB C 13 40.883 0.091 . 1 . . . . . 161 ILE CB . 26518 1 1326 . 1 . 1 106 106 ILE CG1 C 13 27.840 0.096 . 1 . . . . . 161 ILE CG1 . 26518 1 1327 . 1 . 1 106 106 ILE CG2 C 13 17.815 0.052 . 1 . . . . . 161 ILE CG2 . 26518 1 1328 . 1 . 1 106 106 ILE CD1 C 13 13.977 0.090 . 1 . . . . . 161 ILE CD1 . 26518 1 1329 . 1 . 1 106 106 ILE N N 15 122.804 0.013 . 1 . . . . . 161 ILE N . 26518 1 1330 . 1 . 1 107 107 ASN H H 1 8.466 0.007 . 1 . . . . . 162 ASN H . 26518 1 1331 . 1 . 1 107 107 ASN HA H 1 5.823 0.008 . 1 . . . . . 162 ASN HA . 26518 1 1332 . 1 . 1 107 107 ASN HB2 H 1 2.780 0.004 . 2 . . . . . 162 ASN HB2 . 26518 1 1333 . 1 . 1 107 107 ASN HB3 H 1 2.235 0.005 . 2 . . . . . 162 ASN HB3 . 26518 1 1334 . 1 . 1 107 107 ASN HD21 H 1 7.408 0.002 . 2 . . . . . 162 ASN HD21 . 26518 1 1335 . 1 . 1 107 107 ASN HD22 H 1 7.141 0.001 . 2 . . . . . 162 ASN HD22 . 26518 1 1336 . 1 . 1 107 107 ASN C C 13 174.584 0.000 . 1 . . . . . 162 ASN C . 26518 1 1337 . 1 . 1 107 107 ASN CA C 13 52.446 0.018 . 1 . . . . . 162 ASN CA . 26518 1 1338 . 1 . 1 107 107 ASN CB C 13 41.921 0.046 . 1 . . . . . 162 ASN CB . 26518 1 1339 . 1 . 1 107 107 ASN N N 15 123.909 0.042 . 1 . . . . . 162 ASN N . 26518 1 1340 . 1 . 1 107 107 ASN ND2 N 15 114.685 0.021 . 1 . . . . . 162 ASN ND2 . 26518 1 1341 . 1 . 1 108 108 GLN H H 1 9.396 0.005 . 1 . . . . . 163 GLN H . 26518 1 1342 . 1 . 1 108 108 GLN HA H 1 5.338 0.006 . 1 . . . . . 163 GLN HA . 26518 1 1343 . 1 . 1 108 108 GLN HB2 H 1 1.969 0.015 . 2 . . . . . 163 GLN HB2 . 26518 1 1344 . 1 . 1 108 108 GLN HB3 H 1 1.685 0.006 . 2 . . . . . 163 GLN HB3 . 26518 1 1345 . 1 . 1 108 108 GLN HG2 H 1 2.382 0.009 . 2 . . . . . 163 GLN HG2 . 26518 1 1346 . 1 . 1 108 108 GLN HG3 H 1 2.382 0.009 . 2 . . . . . 163 GLN HG3 . 26518 1 1347 . 1 . 1 108 108 GLN HE21 H 1 7.877 0.001 . 2 . . . . . 163 GLN HE21 . 26518 1 1348 . 1 . 1 108 108 GLN HE22 H 1 6.774 0.001 . 2 . . . . . 163 GLN HE22 . 26518 1 1349 . 1 . 1 108 108 GLN C C 13 173.076 0.000 . 1 . . . . . 163 GLN C . 26518 1 1350 . 1 . 1 108 108 GLN CA C 13 54.209 0.037 . 1 . . . . . 163 GLN CA . 26518 1 1351 . 1 . 1 108 108 GLN CB C 13 33.808 0.149 . 1 . . . . . 163 GLN CB . 26518 1 1352 . 1 . 1 108 108 GLN CG C 13 35.416 0.034 . 1 . . . . . 163 GLN CG . 26518 1 1353 . 1 . 1 108 108 GLN N N 15 119.845 0.014 . 1 . . . . . 163 GLN N . 26518 1 1354 . 1 . 1 108 108 GLN NE2 N 15 114.045 0.040 . 1 . . . . . 163 GLN NE2 . 26518 1 1355 . 1 . 1 109 109 LEU H H 1 9.064 0.014 . 1 . . . . . 164 LEU H . 26518 1 1356 . 1 . 1 109 109 LEU HA H 1 5.189 0.006 . 1 . . . . . 164 LEU HA . 26518 1 1357 . 1 . 1 109 109 LEU HB2 H 1 1.473 0.007 . 2 . . . . . 164 LEU HB2 . 26518 1 1358 . 1 . 1 109 109 LEU HB3 H 1 1.317 0.004 . 2 . . . . . 164 LEU HB3 . 26518 1 1359 . 1 . 1 109 109 LEU HG H 1 1.304 0.004 . 1 . . . . . 164 LEU HG . 26518 1 1360 . 1 . 1 109 109 LEU HD11 H 1 0.579 0.001 . 2 . . . . . 164 LEU QD1 . 26518 1 1361 . 1 . 1 109 109 LEU HD12 H 1 0.579 0.001 . 2 . . . . . 164 LEU QD1 . 26518 1 1362 . 1 . 1 109 109 LEU HD13 H 1 0.579 0.001 . 2 . . . . . 164 LEU QD1 . 26518 1 1363 . 1 . 1 109 109 LEU HD21 H 1 0.579 0.001 . 2 . . . . . 164 LEU QD2 . 26518 1 1364 . 1 . 1 109 109 LEU HD22 H 1 0.579 0.001 . 2 . . . . . 164 LEU QD2 . 26518 1 1365 . 1 . 1 109 109 LEU HD23 H 1 0.579 0.001 . 2 . . . . . 164 LEU QD2 . 26518 1 1366 . 1 . 1 109 109 LEU C C 13 176.557 0.000 . 1 . . . . . 164 LEU C . 26518 1 1367 . 1 . 1 109 109 LEU CA C 13 53.564 0.056 . 1 . . . . . 164 LEU CA . 26518 1 1368 . 1 . 1 109 109 LEU CB C 13 43.947 0.171 . 1 . . . . . 164 LEU CB . 26518 1 1369 . 1 . 1 109 109 LEU CG C 13 27.085 0.040 . 1 . . . . . 164 LEU CG . 26518 1 1370 . 1 . 1 109 109 LEU CD1 C 13 24.456 0.005 . 1 . . . . . 164 LEU CD1 . 26518 1 1371 . 1 . 1 109 109 LEU CD2 C 13 24.456 0.005 . 1 . . . . . 164 LEU CD2 . 26518 1 1372 . 1 . 1 109 109 LEU N N 15 123.502 0.018 . 1 . . . . . 164 LEU N . 26518 1 1373 . 1 . 1 110 110 ILE H H 1 9.550 0.011 . 1 . . . . . 165 ILE H . 26518 1 1374 . 1 . 1 110 110 ILE HA H 1 5.095 0.008 . 1 . . . . . 165 ILE HA . 26518 1 1375 . 1 . 1 110 110 ILE HB H 1 1.962 0.003 . 1 . . . . . 165 ILE HB . 26518 1 1376 . 1 . 1 110 110 ILE HG12 H 1 1.500 0.005 . 2 . . . . . 165 ILE HG12 . 26518 1 1377 . 1 . 1 110 110 ILE HG13 H 1 1.500 0.005 . 2 . . . . . 165 ILE HG13 . 26518 1 1378 . 1 . 1 110 110 ILE HG21 H 1 0.945 0.001 . 1 . . . . . 165 ILE QG2 . 26518 1 1379 . 1 . 1 110 110 ILE HG22 H 1 0.945 0.001 . 1 . . . . . 165 ILE QG2 . 26518 1 1380 . 1 . 1 110 110 ILE HG23 H 1 0.945 0.001 . 1 . . . . . 165 ILE QG2 . 26518 1 1381 . 1 . 1 110 110 ILE HD11 H 1 0.942 0.002 . 1 . . . . . 165 ILE QD1 . 26518 1 1382 . 1 . 1 110 110 ILE HD12 H 1 0.942 0.002 . 1 . . . . . 165 ILE QD1 . 26518 1 1383 . 1 . 1 110 110 ILE HD13 H 1 0.942 0.002 . 1 . . . . . 165 ILE QD1 . 26518 1 1384 . 1 . 1 110 110 ILE C C 13 174.887 0.000 . 1 . . . . . 165 ILE C . 26518 1 1385 . 1 . 1 110 110 ILE CA C 13 57.672 0.040 . 1 . . . . . 165 ILE CA . 26518 1 1386 . 1 . 1 110 110 ILE CB C 13 41.154 0.076 . 1 . . . . . 165 ILE CB . 26518 1 1387 . 1 . 1 110 110 ILE CG1 C 13 28.329 0.054 . 1 . . . . . 165 ILE CG1 . 26518 1 1388 . 1 . 1 110 110 ILE CG2 C 13 18.869 0.046 . 1 . . . . . 165 ILE CG2 . 26518 1 1389 . 1 . 1 110 110 ILE CD1 C 13 12.005 0.038 . 1 . . . . . 165 ILE CD1 . 26518 1 1390 . 1 . 1 110 110 ILE N N 15 127.435 0.017 . 1 . . . . . 165 ILE N . 26518 1 1391 . 1 . 1 111 111 GLN H H 1 8.149 0.005 . 1 . . . . . 166 GLN H . 26518 1 1392 . 1 . 1 111 111 GLN HA H 1 5.355 0.008 . 1 . . . . . 166 GLN HA . 26518 1 1393 . 1 . 1 111 111 GLN HB2 H 1 2.053 0.003 . 2 . . . . . 166 GLN HB2 . 26518 1 1394 . 1 . 1 111 111 GLN HB3 H 1 2.053 0.003 . 2 . . . . . 166 GLN HB3 . 26518 1 1395 . 1 . 1 111 111 GLN HG2 H 1 2.100 0.015 . 2 . . . . . 166 GLN HG2 . 26518 1 1396 . 1 . 1 111 111 GLN HG3 H 1 2.292 0.001 . 2 . . . . . 166 GLN HG3 . 26518 1 1397 . 1 . 1 111 111 GLN HE21 H 1 7.353 0.015 . 2 . . . . . 166 GLN HE21 . 26518 1 1398 . 1 . 1 111 111 GLN HE22 H 1 6.864 0.002 . 2 . . . . . 166 GLN HE22 . 26518 1 1399 . 1 . 1 111 111 GLN CA C 13 54.232 0.054 . 1 . . . . . 166 GLN CA . 26518 1 1400 . 1 . 1 111 111 GLN CB C 13 32.315 0.068 . 1 . . . . . 166 GLN CB . 26518 1 1401 . 1 . 1 111 111 GLN CG C 13 34.542 0.087 . 1 . . . . . 166 GLN CG . 26518 1 1402 . 1 . 1 111 111 GLN N N 15 125.332 0.008 . 1 . . . . . 166 GLN N . 26518 1 1403 . 1 . 1 111 111 GLN NE2 N 15 111.477 0.001 . 1 . . . . . 166 GLN NE2 . 26518 1 1404 . 1 . 1 112 112 ILE HA H 1 5.217 0.009 . 1 . . . . . 167 ILE HA . 26518 1 1405 . 1 . 1 112 112 ILE HB H 1 1.698 0.015 . 1 . . . . . 167 ILE HB . 26518 1 1406 . 1 . 1 112 112 ILE HG12 H 1 1.495 0.007 . 2 . . . . . 167 ILE HG12 . 26518 1 1407 . 1 . 1 112 112 ILE HG13 H 1 1.046 0.007 . 2 . . . . . 167 ILE HG13 . 26518 1 1408 . 1 . 1 112 112 ILE HG21 H 1 0.782 0.005 . 1 . . . . . 167 ILE QG2 . 26518 1 1409 . 1 . 1 112 112 ILE HG22 H 1 0.782 0.005 . 1 . . . . . 167 ILE QG2 . 26518 1 1410 . 1 . 1 112 112 ILE HG23 H 1 0.782 0.005 . 1 . . . . . 167 ILE QG2 . 26518 1 1411 . 1 . 1 112 112 ILE HD11 H 1 0.670 0.006 . 1 . . . . . 167 ILE QD1 . 26518 1 1412 . 1 . 1 112 112 ILE HD12 H 1 0.670 0.006 . 1 . . . . . 167 ILE QD1 . 26518 1 1413 . 1 . 1 112 112 ILE HD13 H 1 0.670 0.006 . 1 . . . . . 167 ILE QD1 . 26518 1 1414 . 1 . 1 112 112 ILE C C 13 175.329 0.000 . 1 . . . . . 167 ILE C . 26518 1 1415 . 1 . 1 112 112 ILE CA C 13 59.019 0.047 . 1 . . . . . 167 ILE CA . 26518 1 1416 . 1 . 1 112 112 ILE CB C 13 41.409 0.031 . 1 . . . . . 167 ILE CB . 26518 1 1417 . 1 . 1 112 112 ILE CG1 C 13 28.423 0.080 . 1 . . . . . 167 ILE CG1 . 26518 1 1418 . 1 . 1 112 112 ILE CG2 C 13 16.537 0.150 . 1 . . . . . 167 ILE CG2 . 26518 1 1419 . 1 . 1 112 112 ILE CD1 C 13 13.197 0.036 . 1 . . . . . 167 ILE CD1 . 26518 1 1420 . 1 . 1 113 113 LYS H H 1 8.830 0.006 . 1 . . . . . 168 LYS H . 26518 1 1421 . 1 . 1 113 113 LYS HA H 1 4.534 0.003 . 1 . . . . . 168 LYS HA . 26518 1 1422 . 1 . 1 113 113 LYS HB2 H 1 1.727 0.005 . 2 . . . . . 168 LYS HB2 . 26518 1 1423 . 1 . 1 113 113 LYS HB3 H 1 1.727 0.005 . 2 . . . . . 168 LYS HB3 . 26518 1 1424 . 1 . 1 113 113 LYS HG2 H 1 1.466 0.005 . 2 . . . . . 168 LYS HG2 . 26518 1 1425 . 1 . 1 113 113 LYS HG3 H 1 1.356 0.001 . 2 . . . . . 168 LYS HG3 . 26518 1 1426 . 1 . 1 113 113 LYS HD2 H 1 1.665 0.010 . 2 . . . . . 168 LYS HD2 . 26518 1 1427 . 1 . 1 113 113 LYS HD3 H 1 1.665 0.010 . 2 . . . . . 168 LYS HD3 . 26518 1 1428 . 1 . 1 113 113 LYS HE2 H 1 2.936 0.002 . 2 . . . . . 168 LYS HE2 . 26518 1 1429 . 1 . 1 113 113 LYS HE3 H 1 2.936 0.002 . 2 . . . . . 168 LYS HE3 . 26518 1 1430 . 1 . 1 113 113 LYS C C 13 176.181 0.000 . 1 . . . . . 168 LYS C . 26518 1 1431 . 1 . 1 113 113 LYS CA C 13 56.233 0.087 . 1 . . . . . 168 LYS CA . 26518 1 1432 . 1 . 1 113 113 LYS CB C 13 36.293 0.021 . 1 . . . . . 168 LYS CB . 26518 1 1433 . 1 . 1 113 113 LYS CG C 13 25.197 0.154 . 1 . . . . . 168 LYS CG . 26518 1 1434 . 1 . 1 113 113 LYS CD C 13 29.595 0.078 . 1 . . . . . 168 LYS CD . 26518 1 1435 . 1 . 1 113 113 LYS CE C 13 42.226 0.150 . 1 . . . . . 168 LYS CE . 26518 1 1436 . 1 . 1 113 113 LYS N N 15 126.961 0.022 . 1 . . . . . 168 LYS N . 26518 1 1437 . 1 . 1 114 114 ASN H H 1 9.571 0.007 . 1 . . . . . 169 ASN H . 26518 1 1438 . 1 . 1 114 114 ASN HA H 1 4.289 0.006 . 1 . . . . . 169 ASN HA . 26518 1 1439 . 1 . 1 114 114 ASN HB2 H 1 2.932 0.004 . 2 . . . . . 169 ASN HB2 . 26518 1 1440 . 1 . 1 114 114 ASN HB3 H 1 2.758 0.002 . 2 . . . . . 169 ASN HB3 . 26518 1 1441 . 1 . 1 114 114 ASN HD21 H 1 7.551 0.015 . 2 . . . . . 169 ASN HD21 . 26518 1 1442 . 1 . 1 114 114 ASN HD22 H 1 6.952 0.015 . 2 . . . . . 169 ASN HD22 . 26518 1 1443 . 1 . 1 114 114 ASN C C 13 173.832 0.000 . 1 . . . . . 169 ASN C . 26518 1 1444 . 1 . 1 114 114 ASN CA C 13 54.619 0.023 . 1 . . . . . 169 ASN CA . 26518 1 1445 . 1 . 1 114 114 ASN CB C 13 37.230 0.085 . 1 . . . . . 169 ASN CB . 26518 1 1446 . 1 . 1 114 114 ASN N N 15 125.520 0.069 . 1 . . . . . 169 ASN N . 26518 1 1447 . 1 . 1 114 114 ASN ND2 N 15 113.137 0.045 . 1 . . . . . 169 ASN ND2 . 26518 1 1448 . 1 . 1 115 115 GLN H H 1 8.685 0.004 . 1 . . . . . 170 GLN H . 26518 1 1449 . 1 . 1 115 115 GLN HA H 1 3.454 0.002 . 1 . . . . . 170 GLN HA . 26518 1 1450 . 1 . 1 115 115 GLN HB2 H 1 2.286 0.014 . 2 . . . . . 170 GLN HB2 . 26518 1 1451 . 1 . 1 115 115 GLN HB3 H 1 2.286 0.014 . 2 . . . . . 170 GLN HB3 . 26518 1 1452 . 1 . 1 115 115 GLN HG2 H 1 2.252 0.001 . 2 . . . . . 170 GLN HG2 . 26518 1 1453 . 1 . 1 115 115 GLN HG3 H 1 2.199 0.001 . 2 . . . . . 170 GLN HG3 . 26518 1 1454 . 1 . 1 115 115 GLN HE21 H 1 7.557 0.001 . 2 . . . . . 170 GLN HE21 . 26518 1 1455 . 1 . 1 115 115 GLN HE22 H 1 6.718 0.001 . 2 . . . . . 170 GLN HE22 . 26518 1 1456 . 1 . 1 115 115 GLN C C 13 173.039 0.000 . 1 . . . . . 170 GLN C . 26518 1 1457 . 1 . 1 115 115 GLN CA C 13 57.585 0.091 . 1 . . . . . 170 GLN CA . 26518 1 1458 . 1 . 1 115 115 GLN CB C 13 26.689 0.049 . 1 . . . . . 170 GLN CB . 26518 1 1459 . 1 . 1 115 115 GLN CG C 13 34.907 0.071 . 1 . . . . . 170 GLN CG . 26518 1 1460 . 1 . 1 115 115 GLN N N 15 107.459 0.009 . 1 . . . . . 170 GLN N . 26518 1 1461 . 1 . 1 115 115 GLN NE2 N 15 111.751 0.010 . 1 . . . . . 170 GLN NE2 . 26518 1 1462 . 1 . 1 116 116 LYS H H 1 7.446 0.007 . 1 . . . . . 171 LYS H . 26518 1 1463 . 1 . 1 116 116 LYS HA H 1 4.695 0.008 . 1 . . . . . 171 LYS HA . 26518 1 1464 . 1 . 1 116 116 LYS HB2 H 1 1.649 0.008 . 2 . . . . . 171 LYS HB2 . 26518 1 1465 . 1 . 1 116 116 LYS HB3 H 1 1.341 0.007 . 2 . . . . . 171 LYS HB3 . 26518 1 1466 . 1 . 1 116 116 LYS HG2 H 1 1.406 0.003 . 2 . . . . . 171 LYS HG2 . 26518 1 1467 . 1 . 1 116 116 LYS HG3 H 1 1.215 0.007 . 2 . . . . . 171 LYS HG3 . 26518 1 1468 . 1 . 1 116 116 LYS HD2 H 1 1.393 0.005 . 2 . . . . . 171 LYS HD2 . 26518 1 1469 . 1 . 1 116 116 LYS HD3 H 1 1.393 0.005 . 2 . . . . . 171 LYS HD3 . 26518 1 1470 . 1 . 1 116 116 LYS HE2 H 1 2.883 0.001 . 2 . . . . . 171 LYS HE2 . 26518 1 1471 . 1 . 1 116 116 LYS HE3 H 1 2.883 0.001 . 2 . . . . . 171 LYS HE3 . 26518 1 1472 . 1 . 1 116 116 LYS C C 13 175.378 0.000 . 1 . . . . . 171 LYS C . 26518 1 1473 . 1 . 1 116 116 LYS CA C 13 54.266 0.013 . 1 . . . . . 171 LYS CA . 26518 1 1474 . 1 . 1 116 116 LYS CB C 13 37.416 0.094 . 1 . . . . . 171 LYS CB . 26518 1 1475 . 1 . 1 116 116 LYS CG C 13 25.518 0.093 . 1 . . . . . 171 LYS CG . 26518 1 1476 . 1 . 1 116 116 LYS CD C 13 29.356 0.039 . 1 . . . . . 171 LYS CD . 26518 1 1477 . 1 . 1 116 116 LYS CE C 13 42.541 0.029 . 1 . . . . . 171 LYS CE . 26518 1 1478 . 1 . 1 116 116 LYS N N 15 115.014 0.150 . 1 . . . . . 171 LYS N . 26518 1 1479 . 1 . 1 117 117 ILE H H 1 9.189 0.007 . 1 . . . . . 172 ILE H . 26518 1 1480 . 1 . 1 117 117 ILE HA H 1 4.430 0.006 . 1 . . . . . 172 ILE HA . 26518 1 1481 . 1 . 1 117 117 ILE HB H 1 1.484 0.001 . 1 . . . . . 172 ILE HB . 26518 1 1482 . 1 . 1 117 117 ILE HG12 H 1 1.580 0.002 . 2 . . . . . 172 ILE HG12 . 26518 1 1483 . 1 . 1 117 117 ILE HG13 H 1 0.695 0.015 . 2 . . . . . 172 ILE HG13 . 26518 1 1484 . 1 . 1 117 117 ILE HG21 H 1 0.665 0.011 . 1 . . . . . 172 ILE QG2 . 26518 1 1485 . 1 . 1 117 117 ILE HG22 H 1 0.665 0.011 . 1 . . . . . 172 ILE QG2 . 26518 1 1486 . 1 . 1 117 117 ILE HG23 H 1 0.665 0.011 . 1 . . . . . 172 ILE QG2 . 26518 1 1487 . 1 . 1 117 117 ILE HD11 H 1 0.316 0.002 . 1 . . . . . 172 ILE QD1 . 26518 1 1488 . 1 . 1 117 117 ILE HD12 H 1 0.316 0.002 . 1 . . . . . 172 ILE QD1 . 26518 1 1489 . 1 . 1 117 117 ILE HD13 H 1 0.316 0.002 . 1 . . . . . 172 ILE QD1 . 26518 1 1490 . 1 . 1 117 117 ILE C C 13 175.904 0.000 . 1 . . . . . 172 ILE C . 26518 1 1491 . 1 . 1 117 117 ILE CA C 13 62.204 0.150 . 1 . . . . . 172 ILE CA . 26518 1 1492 . 1 . 1 117 117 ILE CB C 13 38.751 0.150 . 1 . . . . . 172 ILE CB . 26518 1 1493 . 1 . 1 117 117 ILE CG1 C 13 28.070 0.080 . 1 . . . . . 172 ILE CG1 . 26518 1 1494 . 1 . 1 117 117 ILE CG2 C 13 17.322 0.150 . 1 . . . . . 172 ILE CG2 . 26518 1 1495 . 1 . 1 117 117 ILE CD1 C 13 14.102 0.019 . 1 . . . . . 172 ILE CD1 . 26518 1 1496 . 1 . 1 117 117 ILE N N 15 122.299 0.150 . 1 . . . . . 172 ILE N . 26518 1 1497 . 1 . 1 118 118 THR H H 1 8.915 0.003 . 1 . . . . . 173 THR H . 26518 1 1498 . 1 . 1 118 118 THR HA H 1 5.180 0.006 . 1 . . . . . 173 THR HA . 26518 1 1499 . 1 . 1 118 118 THR HB H 1 4.211 0.015 . 1 . . . . . 173 THR HB . 26518 1 1500 . 1 . 1 118 118 THR HG21 H 1 1.198 0.001 . 1 . . . . . 173 THR QG2 . 26518 1 1501 . 1 . 1 118 118 THR HG22 H 1 1.198 0.001 . 1 . . . . . 173 THR QG2 . 26518 1 1502 . 1 . 1 118 118 THR HG23 H 1 1.198 0.001 . 1 . . . . . 173 THR QG2 . 26518 1 1503 . 1 . 1 118 118 THR C C 13 176.018 0.000 . 1 . . . . . 173 THR C . 26518 1 1504 . 1 . 1 118 118 THR CA C 13 61.150 0.150 . 1 . . . . . 173 THR CA . 26518 1 1505 . 1 . 1 118 118 THR CB C 13 69.573 0.150 . 1 . . . . . 173 THR CB . 26518 1 1506 . 1 . 1 118 118 THR CG2 C 13 23.286 0.080 . 1 . . . . . 173 THR CG2 . 26518 1 1507 . 1 . 1 118 118 THR N N 15 118.899 0.011 . 1 . . . . . 173 THR N . 26518 1 1508 . 1 . 1 119 119 GLN H H 1 7.428 0.001 . 1 . . . . . 174 GLN H . 26518 1 1509 . 1 . 1 119 119 GLN HA H 1 4.247 0.003 . 1 . . . . . 174 GLN HA . 26518 1 1510 . 1 . 1 119 119 GLN HB2 H 1 1.941 0.002 . 2 . . . . . 174 GLN HB2 . 26518 1 1511 . 1 . 1 119 119 GLN HB3 H 1 1.841 0.005 . 2 . . . . . 174 GLN HB3 . 26518 1 1512 . 1 . 1 119 119 GLN HG2 H 1 2.249 0.015 . 2 . . . . . 174 GLN HG2 . 26518 1 1513 . 1 . 1 119 119 GLN HG3 H 1 2.249 0.015 . 2 . . . . . 174 GLN HG3 . 26518 1 1514 . 1 . 1 119 119 GLN HE21 H 1 7.237 0.015 . 2 . . . . . 174 GLN HE21 . 26518 1 1515 . 1 . 1 119 119 GLN HE22 H 1 6.715 0.001 . 2 . . . . . 174 GLN HE22 . 26518 1 1516 . 1 . 1 119 119 GLN C C 13 173.439 0.000 . 1 . . . . . 174 GLN C . 26518 1 1517 . 1 . 1 119 119 GLN CA C 13 55.957 0.150 . 1 . . . . . 174 GLN CA . 26518 1 1518 . 1 . 1 119 119 GLN CB C 13 32.835 0.067 . 1 . . . . . 174 GLN CB . 26518 1 1519 . 1 . 1 119 119 GLN CG C 13 34.075 0.002 . 1 . . . . . 174 GLN CG . 26518 1 1520 . 1 . 1 119 119 GLN N N 15 120.790 0.003 . 1 . . . . . 174 GLN N . 26518 1 1521 . 1 . 1 119 119 GLN NE2 N 15 110.862 0.031 . 1 . . . . . 174 GLN NE2 . 26518 1 1522 . 1 . 1 120 120 ARG H H 1 9.004 0.019 . 1 . . . . . 175 ARG H . 26518 1 1523 . 1 . 1 120 120 ARG HA H 1 5.075 0.005 . 1 . . . . . 175 ARG HA . 26518 1 1524 . 1 . 1 120 120 ARG HB2 H 1 1.756 0.007 . 2 . . . . . 175 ARG HB2 . 26518 1 1525 . 1 . 1 120 120 ARG HB3 H 1 1.342 0.015 . 2 . . . . . 175 ARG HB3 . 26518 1 1526 . 1 . 1 120 120 ARG HG2 H 1 1.412 0.003 . 2 . . . . . 175 ARG HG2 . 26518 1 1527 . 1 . 1 120 120 ARG HG3 H 1 1.242 0.004 . 2 . . . . . 175 ARG HG3 . 26518 1 1528 . 1 . 1 120 120 ARG HD2 H 1 3.270 0.007 . 2 . . . . . 175 ARG HD2 . 26518 1 1529 . 1 . 1 120 120 ARG HD3 H 1 2.709 0.005 . 2 . . . . . 175 ARG HD3 . 26518 1 1530 . 1 . 1 120 120 ARG HE H 1 7.154 0.015 . 1 . . . . . 175 ARG HE . 26518 1 1531 . 1 . 1 120 120 ARG C C 13 174.257 0.000 . 1 . . . . . 175 ARG C . 26518 1 1532 . 1 . 1 120 120 ARG CA C 13 55.523 0.096 . 1 . . . . . 175 ARG CA . 26518 1 1533 . 1 . 1 120 120 ARG CB C 13 33.723 0.086 . 1 . . . . . 175 ARG CB . 26518 1 1534 . 1 . 1 120 120 ARG CG C 13 27.343 0.090 . 1 . . . . . 175 ARG CG . 26518 1 1535 . 1 . 1 120 120 ARG CD C 13 44.734 0.101 . 1 . . . . . 175 ARG CD . 26518 1 1536 . 1 . 1 120 120 ARG N N 15 125.126 0.063 . 1 . . . . . 175 ARG N . 26518 1 1537 . 1 . 1 120 120 ARG NE N 15 83.613 0.007 . 1 . . . . . 175 ARG NE . 26518 1 1538 . 1 . 1 121 121 THR H H 1 8.852 0.007 . 1 . . . . . 176 THR H . 26518 1 1539 . 1 . 1 121 121 THR HA H 1 4.720 0.003 . 1 . . . . . 176 THR HA . 26518 1 1540 . 1 . 1 121 121 THR HB H 1 3.936 0.015 . 1 . . . . . 176 THR HB . 26518 1 1541 . 1 . 1 121 121 THR HG21 H 1 1.208 0.001 . 1 . . . . . 176 THR QG2 . 26518 1 1542 . 1 . 1 121 121 THR HG22 H 1 1.208 0.001 . 1 . . . . . 176 THR QG2 . 26518 1 1543 . 1 . 1 121 121 THR HG23 H 1 1.208 0.001 . 1 . . . . . 176 THR QG2 . 26518 1 1544 . 1 . 1 121 121 THR C C 13 173.928 0.000 . 1 . . . . . 176 THR C . 26518 1 1545 . 1 . 1 121 121 THR CA C 13 60.976 0.114 . 1 . . . . . 176 THR CA . 26518 1 1546 . 1 . 1 121 121 THR CB C 13 71.714 0.150 . 1 . . . . . 176 THR CB . 26518 1 1547 . 1 . 1 121 121 THR CG2 C 13 21.736 0.079 . 1 . . . . . 176 THR CG2 . 26518 1 1548 . 1 . 1 121 121 THR N N 15 121.793 0.150 . 1 . . . . . 176 THR N . 26518 1 1549 . 1 . 1 122 122 THR H H 1 9.248 0.005 . 1 . . . . . 177 THR H . 26518 1 1550 . 1 . 1 122 122 THR HA H 1 4.508 0.003 . 1 . . . . . 177 THR HA . 26518 1 1551 . 1 . 1 122 122 THR HB H 1 4.109 0.003 . 1 . . . . . 177 THR HB . 26518 1 1552 . 1 . 1 122 122 THR HG21 H 1 1.333 0.001 . 1 . . . . . 177 THR QG2 . 26518 1 1553 . 1 . 1 122 122 THR HG22 H 1 1.333 0.001 . 1 . . . . . 177 THR QG2 . 26518 1 1554 . 1 . 1 122 122 THR HG23 H 1 1.333 0.001 . 1 . . . . . 177 THR QG2 . 26518 1 1555 . 1 . 1 122 122 THR C C 13 173.411 0.000 . 1 . . . . . 177 THR C . 26518 1 1556 . 1 . 1 122 122 THR CA C 13 64.642 0.043 . 1 . . . . . 177 THR CA . 26518 1 1557 . 1 . 1 122 122 THR CB C 13 69.140 0.050 . 1 . . . . . 177 THR CB . 26518 1 1558 . 1 . 1 122 122 THR CG2 C 13 22.804 0.012 . 1 . . . . . 177 THR CG2 . 26518 1 1559 . 1 . 1 122 122 THR N N 15 125.706 0.021 . 1 . . . . . 177 THR N . 26518 1 1560 . 1 . 1 123 123 ILE H H 1 8.322 0.007 . 1 . . . . . 178 ILE H . 26518 1 1561 . 1 . 1 123 123 ILE HA H 1 4.426 0.008 . 1 . . . . . 178 ILE HA . 26518 1 1562 . 1 . 1 123 123 ILE HB H 1 1.667 0.001 . 1 . . . . . 178 ILE HB . 26518 1 1563 . 1 . 1 123 123 ILE HG12 H 1 1.213 0.015 . 2 . . . . . 178 ILE HG12 . 26518 1 1564 . 1 . 1 123 123 ILE HG13 H 1 0.906 0.006 . 2 . . . . . 178 ILE HG13 . 26518 1 1565 . 1 . 1 123 123 ILE HG21 H 1 0.750 0.015 . 1 . . . . . 178 ILE QG2 . 26518 1 1566 . 1 . 1 123 123 ILE HG22 H 1 0.750 0.015 . 1 . . . . . 178 ILE QG2 . 26518 1 1567 . 1 . 1 123 123 ILE HG23 H 1 0.750 0.015 . 1 . . . . . 178 ILE QG2 . 26518 1 1568 . 1 . 1 123 123 ILE HD11 H 1 0.667 0.001 . 1 . . . . . 178 ILE QD1 . 26518 1 1569 . 1 . 1 123 123 ILE HD12 H 1 0.667 0.001 . 1 . . . . . 178 ILE QD1 . 26518 1 1570 . 1 . 1 123 123 ILE HD13 H 1 0.667 0.001 . 1 . . . . . 178 ILE QD1 . 26518 1 1571 . 1 . 1 123 123 ILE C C 13 174.415 0.000 . 1 . . . . . 178 ILE C . 26518 1 1572 . 1 . 1 123 123 ILE CA C 13 59.717 0.150 . 1 . . . . . 178 ILE CA . 26518 1 1573 . 1 . 1 123 123 ILE CB C 13 40.019 0.030 . 1 . . . . . 178 ILE CB . 26518 1 1574 . 1 . 1 123 123 ILE CG1 C 13 26.782 0.039 . 1 . . . . . 178 ILE CG1 . 26518 1 1575 . 1 . 1 123 123 ILE CG2 C 13 17.438 0.007 . 1 . . . . . 178 ILE CG2 . 26518 1 1576 . 1 . 1 123 123 ILE CD1 C 13 13.204 0.032 . 1 . . . . . 178 ILE CD1 . 26518 1 1577 . 1 . 1 123 123 ILE N N 15 126.184 0.006 . 1 . . . . . 178 ILE N . 26518 1 1578 . 1 . 1 124 124 GLN H H 1 8.408 0.015 . 1 . . . . . 179 GLN H . 26518 1 1579 . 1 . 1 124 124 GLN HA H 1 4.470 0.003 . 1 . . . . . 179 GLN HA . 26518 1 1580 . 1 . 1 124 124 GLN HB2 H 1 2.037 0.001 . 2 . . . . . 179 GLN HB2 . 26518 1 1581 . 1 . 1 124 124 GLN HB3 H 1 1.907 0.001 . 2 . . . . . 179 GLN HB3 . 26518 1 1582 . 1 . 1 124 124 GLN HG2 H 1 2.306 0.002 . 2 . . . . . 179 GLN HG2 . 26518 1 1583 . 1 . 1 124 124 GLN HG3 H 1 2.306 0.002 . 2 . . . . . 179 GLN HG3 . 26518 1 1584 . 1 . 1 124 124 GLN HE21 H 1 7.497 0.003 . 2 . . . . . 179 GLN HE21 . 26518 1 1585 . 1 . 1 124 124 GLN HE22 H 1 6.824 0.003 . 2 . . . . . 179 GLN HE22 . 26518 1 1586 . 1 . 1 124 124 GLN C C 13 175.358 0.000 . 1 . . . . . 179 GLN C . 26518 1 1587 . 1 . 1 124 124 GLN CA C 13 54.836 0.083 . 1 . . . . . 179 GLN CA . 26518 1 1588 . 1 . 1 124 124 GLN CB C 13 29.464 0.051 . 1 . . . . . 179 GLN CB . 26518 1 1589 . 1 . 1 124 124 GLN CG C 13 33.651 0.102 . 1 . . . . . 179 GLN CG . 26518 1 1590 . 1 . 1 124 124 GLN N N 15 124.104 0.045 . 1 . . . . . 179 GLN N . 26518 1 1591 . 1 . 1 124 124 GLN NE2 N 15 112.305 0.055 . 1 . . . . . 179 GLN NE2 . 26518 1 1592 . 1 . 1 125 125 LEU H H 1 8.479 0.005 . 1 . . . . . 180 LEU H . 26518 1 1593 . 1 . 1 125 125 LEU HA H 1 4.381 0.009 . 1 . . . . . 180 LEU HA . 26518 1 1594 . 1 . 1 125 125 LEU HB2 H 1 1.558 0.013 . 2 . . . . . 180 LEU HB2 . 26518 1 1595 . 1 . 1 125 125 LEU HB3 H 1 1.558 0.013 . 2 . . . . . 180 LEU HB3 . 26518 1 1596 . 1 . 1 125 125 LEU HG H 1 1.534 0.011 . 1 . . . . . 180 LEU HG . 26518 1 1597 . 1 . 1 125 125 LEU HD11 H 1 0.829 0.002 . 2 . . . . . 180 LEU QD1 . 26518 1 1598 . 1 . 1 125 125 LEU HD12 H 1 0.829 0.002 . 2 . . . . . 180 LEU QD1 . 26518 1 1599 . 1 . 1 125 125 LEU HD13 H 1 0.829 0.002 . 2 . . . . . 180 LEU QD1 . 26518 1 1600 . 1 . 1 125 125 LEU HD21 H 1 0.778 0.002 . 2 . . . . . 180 LEU QD2 . 26518 1 1601 . 1 . 1 125 125 LEU HD22 H 1 0.778 0.002 . 2 . . . . . 180 LEU QD2 . 26518 1 1602 . 1 . 1 125 125 LEU HD23 H 1 0.778 0.002 . 2 . . . . . 180 LEU QD2 . 26518 1 1603 . 1 . 1 125 125 LEU C C 13 177.652 0.000 . 1 . . . . . 180 LEU C . 26518 1 1604 . 1 . 1 125 125 LEU CA C 13 54.999 0.150 . 1 . . . . . 180 LEU CA . 26518 1 1605 . 1 . 1 125 125 LEU CB C 13 42.647 0.017 . 1 . . . . . 180 LEU CB . 26518 1 1606 . 1 . 1 125 125 LEU CG C 13 27.155 0.015 . 1 . . . . . 180 LEU CG . 26518 1 1607 . 1 . 1 125 125 LEU CD1 C 13 25.056 0.034 . 1 . . . . . 180 LEU CD1 . 26518 1 1608 . 1 . 1 125 125 LEU CD2 C 13 23.385 0.040 . 1 . . . . . 180 LEU CD2 . 26518 1 1609 . 1 . 1 125 125 LEU N N 15 125.429 0.014 . 1 . . . . . 180 LEU N . 26518 1 1610 . 1 . 1 126 126 GLY H H 1 8.457 0.015 . 1 . . . . . 181 GLY H . 26518 1 1611 . 1 . 1 126 126 GLY HA2 H 1 3.955 0.002 . 2 . . . . . 181 GLY HA2 . 26518 1 1612 . 1 . 1 126 126 GLY HA3 H 1 3.955 0.002 . 2 . . . . . 181 GLY HA3 . 26518 1 1613 . 1 . 1 126 126 GLY C C 13 173.832 0.000 . 1 . . . . . 181 GLY C . 26518 1 1614 . 1 . 1 126 126 GLY CA C 13 45.186 0.017 . 1 . . . . . 181 GLY CA . 26518 1 1615 . 1 . 1 126 126 GLY N N 15 110.057 0.007 . 1 . . . . . 181 GLY N . 26518 1 1616 . 1 . 1 127 127 GLU H H 1 8.218 0.004 . 1 . . . . . 182 GLU H . 26518 1 1617 . 1 . 1 127 127 GLU HA H 1 4.323 0.005 . 1 . . . . . 182 GLU HA . 26518 1 1618 . 1 . 1 127 127 GLU HB2 H 1 2.079 0.003 . 2 . . . . . 182 GLU HB2 . 26518 1 1619 . 1 . 1 127 127 GLU HB3 H 1 1.876 0.004 . 2 . . . . . 182 GLU HB3 . 26518 1 1620 . 1 . 1 127 127 GLU HG2 H 1 2.220 0.003 . 2 . . . . . 182 GLU HG2 . 26518 1 1621 . 1 . 1 127 127 GLU HG3 H 1 2.220 0.003 . 2 . . . . . 182 GLU HG3 . 26518 1 1622 . 1 . 1 127 127 GLU C C 13 175.629 0.000 . 1 . . . . . 182 GLU C . 26518 1 1623 . 1 . 1 127 127 GLU CB C 13 30.579 0.114 . 1 . . . . . 182 GLU CB . 26518 1 1624 . 1 . 1 127 127 GLU CG C 13 36.206 0.123 . 1 . . . . . 182 GLU CG . 26518 1 1625 . 1 . 1 127 127 GLU N N 15 120.671 0.037 . 1 . . . . . 182 GLU N . 26518 1 1626 . 1 . 1 128 128 GLU H H 1 8.061 0.001 . 1 . . . . . 183 GLU H . 26518 1 1627 . 1 . 1 128 128 GLU HA H 1 4.079 0.008 . 1 . . . . . 183 GLU HA . 26518 1 1628 . 1 . 1 128 128 GLU HB2 H 1 2.011 0.006 . 2 . . . . . 183 GLU HB2 . 26518 1 1629 . 1 . 1 128 128 GLU HB3 H 1 1.864 0.007 . 2 . . . . . 183 GLU HB3 . 26518 1 1630 . 1 . 1 128 128 GLU HG2 H 1 2.184 0.015 . 2 . . . . . 183 GLU HG2 . 26518 1 1631 . 1 . 1 128 128 GLU HG3 H 1 2.184 0.015 . 2 . . . . . 183 GLU HG3 . 26518 1 1632 . 1 . 1 128 128 GLU CA C 13 58.105 0.150 . 1 . . . . . 183 GLU CA . 26518 1 1633 . 1 . 1 128 128 GLU CB C 13 30.989 0.080 . 1 . . . . . 183 GLU CB . 26518 1 1634 . 1 . 1 128 128 GLU CG C 13 36.505 0.150 . 1 . . . . . 183 GLU CG . 26518 1 1635 . 1 . 1 128 128 GLU N N 15 126.785 0.072 . 1 . . . . . 183 GLU N . 26518 1 stop_ save_