data_27051 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27051 _Entry.Title ; 1H, 15N and 13C resonance assignments of the Ixolaris, a tissue factor pathway inhibitor from the tick salivary gland ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-19 _Entry.Accession_date 2017-03-19 _Entry.Last_release_date 2017-03-20 _Entry.Original_release_date 2017-03-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Viviane 'de Paula' . S . . 27051 2 Felipe Silva . H.S. . . 27051 3 Ivo Francischette . . . . 27051 4 Robson Monteiro . Q. . . 27051 5 'Ana Paula' Valente . . . . 27051 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . UFRJ . 27051 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27051 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 27051 '15N chemical shifts' 134 27051 '1H chemical shifts' 828 27051 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 . . 2019-01-18 . original BMRB . 27051 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27051 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28856584 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments of Ixolaris, a tissue factor pathway inhibitor from the tick salivary gland ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 293 _Citation.Page_last 296 _Citation.Year 2017 _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 Viviane 'de Paula' . . . . 27051 1 2 Felipe Silva . . . . 27051 1 3 Ivo Francischette . . . . 27051 1 4 Robson Monteiro . . . . 27051 1 5 'Ana Paula' Valente . . . . 27051 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27051 _Assembly.ID 1 _Assembly.Name Ixolaris _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15940 _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 Ixolaris 1 $Ixolaris A . yes native no no . . . 27051 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 70 70 SG . . . 18 CYS SG . . . 68 CYS SG 27051 1 2 disulfide single . 1 . 1 CYS 28 28 SG . 1 . 1 CYS 53 53 SG . . . 26 CYS SG . . . 51 CYS SG 27051 1 3 disulfide single . 1 . 1 CYS 45 45 SG . 1 . 1 CYS 66 66 SG . . . 43 CYS SG . . . 64 CYS SG 27051 1 4 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 128 128 SG . . . 76 CYS SG . . . 126 CYS SG 27051 1 5 disulfide single . 1 . 1 CYS 103 103 SG . 1 . 1 CYS 124 124 SG . . . 101 CYS SG . . . 122 CYS SG 27051 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ixolaris _Entity.Sf_category entity _Entity.Sf_framecode Ixolaris _Entity.Entry_ID 27051 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ixolaris _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AMAERVSEMDIYEFESWVSC LDPEQVTCESQEGTHASYNR KTGQCEEQKGTECGGGENHF ETLLKCNESCNDAPKPPCSL EVDYGVGRANIPRWYYDTNN ATCEMFTYGGITGNKNNFES EEECKETCKGFSLLKKVNVT IN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 (A,M) represent a non-native affinity tag' _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 ALA . 27051 1 2 0 MET . 27051 1 3 1 ALA . 27051 1 4 2 GLU . 27051 1 5 3 ARG . 27051 1 6 4 VAL . 27051 1 7 5 SER . 27051 1 8 6 GLU . 27051 1 9 7 MET . 27051 1 10 8 ASP . 27051 1 11 9 ILE . 27051 1 12 10 TYR . 27051 1 13 11 GLU . 27051 1 14 12 PHE . 27051 1 15 13 GLU . 27051 1 16 14 SER . 27051 1 17 15 TRP . 27051 1 18 16 VAL . 27051 1 19 17 SER . 27051 1 20 18 CYS . 27051 1 21 19 LEU . 27051 1 22 20 ASP . 27051 1 23 21 PRO . 27051 1 24 22 GLU . 27051 1 25 23 GLN . 27051 1 26 24 VAL . 27051 1 27 25 THR . 27051 1 28 26 CYS . 27051 1 29 27 GLU . 27051 1 30 28 SER . 27051 1 31 29 GLN . 27051 1 32 30 GLU . 27051 1 33 31 GLY . 27051 1 34 32 THR . 27051 1 35 33 HIS . 27051 1 36 34 ALA . 27051 1 37 35 SER . 27051 1 38 36 TYR . 27051 1 39 37 ASN . 27051 1 40 38 ARG . 27051 1 41 39 LYS . 27051 1 42 40 THR . 27051 1 43 41 GLY . 27051 1 44 42 GLN . 27051 1 45 43 CYS . 27051 1 46 44 GLU . 27051 1 47 45 GLU . 27051 1 48 46 GLN . 27051 1 49 47 LYS . 27051 1 50 48 GLY . 27051 1 51 49 THR . 27051 1 52 50 GLU . 27051 1 53 51 CYS . 27051 1 54 52 GLY . 27051 1 55 53 GLY . 27051 1 56 54 GLY . 27051 1 57 55 GLU . 27051 1 58 56 ASN . 27051 1 59 57 HIS . 27051 1 60 58 PHE . 27051 1 61 59 GLU . 27051 1 62 60 THR . 27051 1 63 61 LEU . 27051 1 64 62 LEU . 27051 1 65 63 LYS . 27051 1 66 64 CYS . 27051 1 67 65 ASN . 27051 1 68 66 GLU . 27051 1 69 67 SER . 27051 1 70 68 CYS . 27051 1 71 69 ASN . 27051 1 72 70 ASP . 27051 1 73 71 ALA . 27051 1 74 72 PRO . 27051 1 75 73 LYS . 27051 1 76 74 PRO . 27051 1 77 75 PRO . 27051 1 78 76 CYS . 27051 1 79 77 SER . 27051 1 80 78 LEU . 27051 1 81 79 GLU . 27051 1 82 80 VAL . 27051 1 83 81 ASP . 27051 1 84 82 TYR . 27051 1 85 83 GLY . 27051 1 86 84 VAL . 27051 1 87 85 GLY . 27051 1 88 86 ARG . 27051 1 89 87 ALA . 27051 1 90 88 ASN . 27051 1 91 89 ILE . 27051 1 92 90 PRO . 27051 1 93 91 ARG . 27051 1 94 92 TRP . 27051 1 95 93 TYR . 27051 1 96 94 TYR . 27051 1 97 95 ASP . 27051 1 98 96 THR . 27051 1 99 97 ASN . 27051 1 100 98 ASN . 27051 1 101 99 ALA . 27051 1 102 100 THR . 27051 1 103 101 CYS . 27051 1 104 102 GLU . 27051 1 105 103 MET . 27051 1 106 104 PHE . 27051 1 107 105 THR . 27051 1 108 106 TYR . 27051 1 109 107 GLY . 27051 1 110 108 GLY . 27051 1 111 109 ILE . 27051 1 112 110 THR . 27051 1 113 111 GLY . 27051 1 114 112 ASN . 27051 1 115 113 LYS . 27051 1 116 114 ASN . 27051 1 117 115 ASN . 27051 1 118 116 PHE . 27051 1 119 117 GLU . 27051 1 120 118 SER . 27051 1 121 119 GLU . 27051 1 122 120 GLU . 27051 1 123 121 GLU . 27051 1 124 122 CYS . 27051 1 125 123 LYS . 27051 1 126 124 GLU . 27051 1 127 125 THR . 27051 1 128 126 CYS . 27051 1 129 127 LYS . 27051 1 130 128 GLY . 27051 1 131 129 PHE . 27051 1 132 130 SER . 27051 1 133 131 LEU . 27051 1 134 132 LEU . 27051 1 135 133 LYS . 27051 1 136 134 LYS . 27051 1 137 135 VAL . 27051 1 138 136 ASN . 27051 1 139 137 VAL . 27051 1 140 138 THR . 27051 1 141 139 ILE . 27051 1 142 140 ASN . 27051 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 . ALA 1 1 27051 1 . MET 2 2 27051 1 . ALA 3 3 27051 1 . GLU 4 4 27051 1 . ARG 5 5 27051 1 . VAL 6 6 27051 1 . SER 7 7 27051 1 . GLU 8 8 27051 1 . MET 9 9 27051 1 . ASP 10 10 27051 1 . ILE 11 11 27051 1 . TYR 12 12 27051 1 . GLU 13 13 27051 1 . PHE 14 14 27051 1 . GLU 15 15 27051 1 . SER 16 16 27051 1 . TRP 17 17 27051 1 . VAL 18 18 27051 1 . SER 19 19 27051 1 . CYS 20 20 27051 1 . LEU 21 21 27051 1 . ASP 22 22 27051 1 . PRO 23 23 27051 1 . GLU 24 24 27051 1 . GLN 25 25 27051 1 . VAL 26 26 27051 1 . THR 27 27 27051 1 . CYS 28 28 27051 1 . GLU 29 29 27051 1 . SER 30 30 27051 1 . GLN 31 31 27051 1 . GLU 32 32 27051 1 . GLY 33 33 27051 1 . THR 34 34 27051 1 . HIS 35 35 27051 1 . ALA 36 36 27051 1 . SER 37 37 27051 1 . TYR 38 38 27051 1 . ASN 39 39 27051 1 . ARG 40 40 27051 1 . LYS 41 41 27051 1 . THR 42 42 27051 1 . GLY 43 43 27051 1 . GLN 44 44 27051 1 . CYS 45 45 27051 1 . GLU 46 46 27051 1 . GLU 47 47 27051 1 . GLN 48 48 27051 1 . LYS 49 49 27051 1 . GLY 50 50 27051 1 . THR 51 51 27051 1 . GLU 52 52 27051 1 . CYS 53 53 27051 1 . GLY 54 54 27051 1 . GLY 55 55 27051 1 . GLY 56 56 27051 1 . GLU 57 57 27051 1 . ASN 58 58 27051 1 . HIS 59 59 27051 1 . PHE 60 60 27051 1 . GLU 61 61 27051 1 . THR 62 62 27051 1 . LEU 63 63 27051 1 . LEU 64 64 27051 1 . LYS 65 65 27051 1 . CYS 66 66 27051 1 . ASN 67 67 27051 1 . GLU 68 68 27051 1 . SER 69 69 27051 1 . CYS 70 70 27051 1 . ASN 71 71 27051 1 . ASP 72 72 27051 1 . ALA 73 73 27051 1 . PRO 74 74 27051 1 . LYS 75 75 27051 1 . PRO 76 76 27051 1 . PRO 77 77 27051 1 . CYS 78 78 27051 1 . SER 79 79 27051 1 . LEU 80 80 27051 1 . GLU 81 81 27051 1 . VAL 82 82 27051 1 . ASP 83 83 27051 1 . TYR 84 84 27051 1 . GLY 85 85 27051 1 . VAL 86 86 27051 1 . GLY 87 87 27051 1 . ARG 88 88 27051 1 . ALA 89 89 27051 1 . ASN 90 90 27051 1 . ILE 91 91 27051 1 . PRO 92 92 27051 1 . ARG 93 93 27051 1 . TRP 94 94 27051 1 . TYR 95 95 27051 1 . TYR 96 96 27051 1 . ASP 97 97 27051 1 . THR 98 98 27051 1 . ASN 99 99 27051 1 . ASN 100 100 27051 1 . ALA 101 101 27051 1 . THR 102 102 27051 1 . CYS 103 103 27051 1 . GLU 104 104 27051 1 . MET 105 105 27051 1 . PHE 106 106 27051 1 . THR 107 107 27051 1 . TYR 108 108 27051 1 . GLY 109 109 27051 1 . GLY 110 110 27051 1 . ILE 111 111 27051 1 . THR 112 112 27051 1 . GLY 113 113 27051 1 . ASN 114 114 27051 1 . LYS 115 115 27051 1 . ASN 116 116 27051 1 . ASN 117 117 27051 1 . PHE 118 118 27051 1 . GLU 119 119 27051 1 . SER 120 120 27051 1 . GLU 121 121 27051 1 . GLU 122 122 27051 1 . GLU 123 123 27051 1 . CYS 124 124 27051 1 . LYS 125 125 27051 1 . GLU 126 126 27051 1 . THR 127 127 27051 1 . CYS 128 128 27051 1 . LYS 129 129 27051 1 . GLY 130 130 27051 1 . PHE 131 131 27051 1 . SER 132 132 27051 1 . LEU 133 133 27051 1 . LEU 134 134 27051 1 . LYS 135 135 27051 1 . LYS 136 136 27051 1 . VAL 137 137 27051 1 . ASN 138 138 27051 1 . VAL 139 139 27051 1 . THR 140 140 27051 1 . ILE 141 141 27051 1 . ASN 142 142 27051 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 27051 _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 $Ixolaris . 6945 organism . 'Ixodes scapularis' 'black-legged tick' . . Eukaryota Metazoa Ixodes scapularis . . . . . . . . . . . . . 27051 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 27051 _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 $Ixolaris . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 27051 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27051 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ixolaris '[U-99% 13C; U-99% 15N]' . . 1 $Ixolaris . . 0.18 . . mM . . . . 27051 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 27051 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 27051 1 pH 6 . pH 27051 1 pressure 1 . atm 27051 1 temperature 308 . K 27051 1 stop_ save_ ############################ # Computer software used # ############################ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 27051 _Software.ID 1 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 27051 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 27051 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27051 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27051 _NMR_spectrometer.ID 2 _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 27051 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27051 1 2 spectrometer_2 Bruker Avance . 700 . . . 27051 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 27051 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27051 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 27051 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27051 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27051 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27051 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27051 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27051 1 9 '3D 1H-15N NOESY' . . . 27051 1 10 '3D 1H-13C NOESY' . . . 27051 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA H H 1 8.524 0.020 . 1 . . . . . 1 ALA H . 27051 1 2 . 1 1 3 3 ALA HA H 1 4.380 0.020 . 1 . . . . . 1 ALA HA . 27051 1 3 . 1 1 3 3 ALA HB1 H 1 1.457 0.020 . 1 . . . . . 1 ALA HB . 27051 1 4 . 1 1 3 3 ALA HB2 H 1 1.457 0.020 . 1 . . . . . 1 ALA HB . 27051 1 5 . 1 1 3 3 ALA HB3 H 1 1.457 0.020 . 1 . . . . . 1 ALA HB . 27051 1 6 . 1 1 3 3 ALA C C 13 178.143 0.3 . 1 . . . . . 1 ALA C . 27051 1 7 . 1 1 3 3 ALA CA C 13 53.413 0.3 . 1 . . . . . 1 ALA CA . 27051 1 8 . 1 1 3 3 ALA CB C 13 20.083 0.3 . 1 . . . . . 1 ALA CB . 27051 1 9 . 1 1 3 3 ALA N N 15 125.481 0.3 . 1 . . . . . 1 ALA N . 27051 1 10 . 1 1 4 4 GLU H H 1 8.276 0.020 . 1 . . . . . 2 GLU H . 27051 1 11 . 1 1 4 4 GLU HA H 1 4.406 0.020 . 1 . . . . . 2 GLU HA . 27051 1 12 . 1 1 4 4 GLU HB2 H 1 2.195 0.020 . 1 . . . . . 2 GLU HB2 . 27051 1 13 . 1 1 4 4 GLU HB3 H 1 2.195 0.020 . 1 . . . . . 2 GLU HB3 . 27051 1 14 . 1 1 4 4 GLU HG2 H 1 2.645 0.020 . 1 . . . . . 2 GLU HG2 . 27051 1 15 . 1 1 4 4 GLU HG3 H 1 2.645 0.020 . 1 . . . . . 2 GLU HG3 . 27051 1 16 . 1 1 4 4 GLU C C 13 176.310 0.3 . 1 . . . . . 2 GLU C . 27051 1 17 . 1 1 4 4 GLU CA C 13 57.483 0.3 . 1 . . . . . 2 GLU CA . 27051 1 18 . 1 1 4 4 GLU CB C 13 30.659 0.3 . 1 . . . . . 2 GLU CB . 27051 1 19 . 1 1 4 4 GLU CG C 13 36.950 0.3 . 1 . . . . . 2 GLU CG . 27051 1 20 . 1 1 4 4 GLU N N 15 118.931 0.3 . 1 . . . . . 2 GLU N . 27051 1 21 . 1 1 5 5 ARG HA H 1 4.389 0.020 . 1 . . . . . 3 ARG HA . 27051 1 22 . 1 1 5 5 ARG HB2 H 1 2.021 0.020 . 1 . . . . . 3 ARG HB2 . 27051 1 23 . 1 1 5 5 ARG HB3 H 1 2.021 0.020 . 1 . . . . . 3 ARG HB3 . 27051 1 24 . 1 1 5 5 ARG HG2 H 1 1.629 0.020 . 1 . . . . . 3 ARG HG2 . 27051 1 25 . 1 1 5 5 ARG HG3 H 1 1.629 0.020 . 1 . . . . . 3 ARG HG3 . 27051 1 26 . 1 1 5 5 ARG HD2 H 1 3.250 0.020 . 1 . . . . . 3 ARG HD2 . 27051 1 27 . 1 1 5 5 ARG HD3 H 1 3.250 0.020 . 1 . . . . . 3 ARG HD3 . 27051 1 28 . 1 1 5 5 ARG C C 13 176.174 0.3 . 1 . . . . . 3 ARG C . 27051 1 29 . 1 1 5 5 ARG CA C 13 57.220 0.3 . 1 . . . . . 3 ARG CA . 27051 1 30 . 1 1 5 5 ARG CB C 13 32.962 0.3 . 1 . . . . . 3 ARG CB . 27051 1 31 . 1 1 5 5 ARG CG C 13 27.910 0.3 . 1 . . . . . 3 ARG CG . 27051 1 32 . 1 1 5 5 ARG CD C 13 44.107 0.3 . 1 . . . . . 3 ARG CD . 27051 1 33 . 1 1 6 6 VAL H H 1 8.278 0.020 . 1 . . . . . 4 VAL H . 27051 1 34 . 1 1 6 6 VAL HA H 1 4.347 0.020 . 1 . . . . . 4 VAL HA . 27051 1 35 . 1 1 6 6 VAL HB H 1 2.174 0.020 . 1 . . . . . 4 VAL HB . 27051 1 36 . 1 1 6 6 VAL HG11 H 1 0.990 0.020 . 1 . . . . . 4 VAL HG1 . 27051 1 37 . 1 1 6 6 VAL HG12 H 1 0.990 0.020 . 1 . . . . . 4 VAL HG1 . 27051 1 38 . 1 1 6 6 VAL HG13 H 1 0.990 0.020 . 1 . . . . . 4 VAL HG1 . 27051 1 39 . 1 1 6 6 VAL HG21 H 1 0.990 0.020 . 1 . . . . . 4 VAL HG2 . 27051 1 40 . 1 1 6 6 VAL HG22 H 1 0.990 0.020 . 1 . . . . . 4 VAL HG2 . 27051 1 41 . 1 1 6 6 VAL HG23 H 1 0.990 0.020 . 1 . . . . . 4 VAL HG2 . 27051 1 42 . 1 1 6 6 VAL C C 13 176.912 0.3 . 1 . . . . . 4 VAL C . 27051 1 43 . 1 1 6 6 VAL CA C 13 63.000 0.3 . 1 . . . . . 4 VAL CA . 27051 1 44 . 1 1 6 6 VAL CB C 13 33.253 0.3 . 1 . . . . . 4 VAL CB . 27051 1 45 . 1 1 6 6 VAL CG1 C 13 21.748 0.3 . 1 . . . . . 4 VAL CG1 . 27051 1 46 . 1 1 6 6 VAL CG2 C 13 20.442 0.3 . 1 . . . . . 4 VAL CG2 . 27051 1 47 . 1 1 6 6 VAL N N 15 120.923 0.3 . 1 . . . . . 4 VAL N . 27051 1 48 . 1 1 7 7 SER H H 1 8.457 0.020 . 1 . . . . . 5 SER H . 27051 1 49 . 1 1 7 7 SER HA H 1 4.562 0.020 . 1 . . . . . 5 SER HA . 27051 1 50 . 1 1 7 7 SER HB2 H 1 3.933 0.020 . 1 . . . . . 5 SER HB2 . 27051 1 51 . 1 1 7 7 SER HB3 H 1 3.933 0.020 . 1 . . . . . 5 SER HB3 . 27051 1 52 . 1 1 7 7 SER C C 13 176.930 0.3 . 1 . . . . . 5 SER C . 27051 1 53 . 1 1 7 7 SER CA C 13 59.301 0.3 . 1 . . . . . 5 SER CA . 27051 1 54 . 1 1 7 7 SER CB C 13 64.826 0.3 . 1 . . . . . 5 SER CB . 27051 1 55 . 1 1 7 7 SER N N 15 118.842 0.3 . 1 . . . . . 5 SER N . 27051 1 56 . 1 1 8 8 GLU H H 1 8.496 0.020 . 1 . . . . . 6 GLU H . 27051 1 57 . 1 1 8 8 GLU HA H 1 4.406 0.020 . 1 . . . . . 6 GLU HA . 27051 1 58 . 1 1 8 8 GLU HB2 H 1 2.110 0.020 . 1 . . . . . 6 GLU HB2 . 27051 1 59 . 1 1 8 8 GLU HB3 H 1 2.110 0.020 . 1 . . . . . 6 GLU HB3 . 27051 1 60 . 1 1 8 8 GLU HG2 H 1 2.276 0.020 . 2 . . . . . 6 GLU HG2 . 27051 1 61 . 1 1 8 8 GLU HG3 H 1 2.398 0.020 . 2 . . . . . 6 GLU HG3 . 27051 1 62 . 1 1 8 8 GLU C C 13 176.921 0.3 . 1 . . . . . 6 GLU C . 27051 1 63 . 1 1 8 8 GLU CA C 13 57.425 0.3 . 1 . . . . . 6 GLU CA . 27051 1 64 . 1 1 8 8 GLU CB C 13 30.625 0.3 . 1 . . . . . 6 GLU CB . 27051 1 65 . 1 1 8 8 GLU CG C 13 36.418 0.3 . 1 . . . . . 6 GLU CG . 27051 1 66 . 1 1 8 8 GLU N N 15 122.475 0.3 . 1 . . . . . 6 GLU N . 27051 1 67 . 1 1 9 9 MET H H 1 8.334 0.020 . 1 . . . . . 7 MET H . 27051 1 68 . 1 1 9 9 MET HA H 1 4.584 0.020 . 1 . . . . . 7 MET HA . 27051 1 69 . 1 1 9 9 MET HB2 H 1 2.136 0.020 . 1 . . . . . 7 MET HB2 . 27051 1 70 . 1 1 9 9 MET HB3 H 1 2.136 0.020 . 1 . . . . . 7 MET HB3 . 27051 1 71 . 1 1 9 9 MET HG2 H 1 2.657 0.020 . 1 . . . . . 7 MET HG2 . 27051 1 72 . 1 1 9 9 MET HG3 H 1 2.657 0.020 . 1 . . . . . 7 MET HG3 . 27051 1 73 . 1 1 9 9 MET HE1 H 1 1.980 0.020 . 1 . . . . . 7 MET HE . 27051 1 74 . 1 1 9 9 MET HE2 H 1 1.980 0.020 . 1 . . . . . 7 MET HE . 27051 1 75 . 1 1 9 9 MET HE3 H 1 1.980 0.020 . 1 . . . . . 7 MET HE . 27051 1 76 . 1 1 9 9 MET C C 13 176.481 0.3 . 1 . . . . . 7 MET C . 27051 1 77 . 1 1 9 9 MET CA C 13 56.367 0.3 . 1 . . . . . 7 MET CA . 27051 1 78 . 1 1 9 9 MET CB C 13 34.335 0.3 . 1 . . . . . 7 MET CB . 27051 1 79 . 1 1 9 9 MET CG C 13 32.890 0.3 . 1 . . . . . 7 MET CG . 27051 1 80 . 1 1 9 9 MET CE C 13 17.750 0.3 . 1 . . . . . 7 MET CE . 27051 1 81 . 1 1 9 9 MET N N 15 120.110 0.3 . 1 . . . . . 7 MET N . 27051 1 82 . 1 1 10 10 ASP H H 1 8.335 0.020 . 1 . . . . . 8 ASP H . 27051 1 83 . 1 1 10 10 ASP HA H 1 4.735 0.020 . 1 . . . . . 8 ASP HA . 27051 1 84 . 1 1 10 10 ASP HB2 H 1 2.664 0.020 . 1 . . . . . 8 ASP HB2 . 27051 1 85 . 1 1 10 10 ASP HB3 H 1 2.664 0.020 . 1 . . . . . 8 ASP HB3 . 27051 1 86 . 1 1 10 10 ASP C C 13 176.052 0.3 . 1 . . . . . 8 ASP C . 27051 1 87 . 1 1 10 10 ASP CA C 13 55.275 0.3 . 1 . . . . . 8 ASP CA . 27051 1 88 . 1 1 10 10 ASP CB C 13 42.204 0.3 . 1 . . . . . 8 ASP CB . 27051 1 89 . 1 1 10 10 ASP N N 15 121.388 0.3 . 1 . . . . . 8 ASP N . 27051 1 90 . 1 1 11 11 ILE H H 1 8.038 0.020 . 1 . . . . . 9 ILE H . 27051 1 91 . 1 1 11 11 ILE HA H 1 4.248 0.020 . 1 . . . . . 9 ILE HA . 27051 1 92 . 1 1 11 11 ILE HB H 1 1.809 0.020 . 1 . . . . . 9 ILE HB . 27051 1 93 . 1 1 11 11 ILE HG12 H 1 1.110 0.020 . 1 . . . . . 9 ILE HG12 . 27051 1 94 . 1 1 11 11 ILE HG13 H 1 1.110 0.020 . 1 . . . . . 9 ILE HG13 . 27051 1 95 . 1 1 11 11 ILE HG21 H 1 0.840 0.020 . 1 . . . . . 9 ILE HG2 . 27051 1 96 . 1 1 11 11 ILE HG22 H 1 0.840 0.020 . 1 . . . . . 9 ILE HG2 . 27051 1 97 . 1 1 11 11 ILE HG23 H 1 0.840 0.020 . 1 . . . . . 9 ILE HG2 . 27051 1 98 . 1 1 11 11 ILE HD11 H 1 0.848 0.020 . 1 . . . . . 9 ILE HD1 . 27051 1 99 . 1 1 11 11 ILE HD12 H 1 0.848 0.020 . 1 . . . . . 9 ILE HD1 . 27051 1 100 . 1 1 11 11 ILE HD13 H 1 0.848 0.020 . 1 . . . . . 9 ILE HD1 . 27051 1 101 . 1 1 11 11 ILE C C 13 175.704 0.3 . 1 . . . . . 9 ILE C . 27051 1 102 . 1 1 11 11 ILE CA C 13 62.186 0.3 . 1 . . . . . 9 ILE CA . 27051 1 103 . 1 1 11 11 ILE CB C 13 40.021 0.3 . 1 . . . . . 9 ILE CB . 27051 1 104 . 1 1 11 11 ILE CG1 C 13 26.936 0.3 . 1 . . . . . 9 ILE CG1 . 27051 1 105 . 1 1 11 11 ILE CG2 C 13 18.395 0.3 . 1 . . . . . 9 ILE CG2 . 27051 1 106 . 1 1 11 11 ILE CD1 C 13 14.006 0.3 . 1 . . . . . 9 ILE CD1 . 27051 1 107 . 1 1 11 11 ILE N N 15 119.220 0.3 . 1 . . . . . 9 ILE N . 27051 1 108 . 1 1 12 12 TYR H H 1 8.216 0.020 . 1 . . . . . 10 TYR H . 27051 1 109 . 1 1 12 12 TYR HA H 1 5.006 0.020 . 1 . . . . . 10 TYR HA . 27051 1 110 . 1 1 12 12 TYR HB2 H 1 2.845 0.020 . 1 . . . . . 10 TYR HB2 . 27051 1 111 . 1 1 12 12 TYR HB3 H 1 2.845 0.020 . 1 . . . . . 10 TYR HB3 . 27051 1 112 . 1 1 12 12 TYR HD1 H 1 7.106 0.020 . 1 . . . . . 10 TYR HD1 . 27051 1 113 . 1 1 12 12 TYR HD2 H 1 7.106 0.020 . 1 . . . . . 10 TYR HD2 . 27051 1 114 . 1 1 12 12 TYR C C 13 175.736 0.3 . 1 . . . . . 10 TYR C . 27051 1 115 . 1 1 12 12 TYR CA C 13 57.810 0.3 . 1 . . . . . 10 TYR CA . 27051 1 116 . 1 1 12 12 TYR CB C 13 41.463 0.3 . 1 . . . . . 10 TYR CB . 27051 1 117 . 1 1 12 12 TYR N N 15 122.149 0.3 . 1 . . . . . 10 TYR N . 27051 1 118 . 1 1 13 13 GLU H H 1 8.697 0.020 . 1 . . . . . 11 GLU H . 27051 1 119 . 1 1 13 13 GLU HA H 1 4.582 0.020 . 1 . . . . . 11 GLU HA . 27051 1 120 . 1 1 13 13 GLU HB2 H 1 2.000 0.020 . 1 . . . . . 11 GLU HB2 . 27051 1 121 . 1 1 13 13 GLU HB3 H 1 2.000 0.020 . 1 . . . . . 11 GLU HB3 . 27051 1 122 . 1 1 13 13 GLU HG2 H 1 2.222 0.020 . 1 . . . . . 11 GLU HG2 . 27051 1 123 . 1 1 13 13 GLU HG3 H 1 2.222 0.020 . 1 . . . . . 11 GLU HG3 . 27051 1 124 . 1 1 13 13 GLU C C 13 176.008 0.3 . 1 . . . . . 11 GLU C . 27051 1 125 . 1 1 13 13 GLU CA C 13 55.214 0.3 . 1 . . . . . 11 GLU CA . 27051 1 126 . 1 1 13 13 GLU CB C 13 32.725 0.3 . 1 . . . . . 11 GLU CB . 27051 1 127 . 1 1 13 13 GLU CG C 13 35.819 0.3 . 1 . . . . . 11 GLU CG . 27051 1 128 . 1 1 13 13 GLU N N 15 120.149 0.3 . 1 . . . . . 11 GLU N . 27051 1 129 . 1 1 14 14 PHE HA H 1 5.003 0.020 . 1 . . . . . 12 PHE HA . 27051 1 130 . 1 1 14 14 PHE HB2 H 1 2.824 0.020 . 1 . . . . . 12 PHE HB2 . 27051 1 131 . 1 1 14 14 PHE HB3 H 1 2.824 0.020 . 1 . . . . . 12 PHE HB3 . 27051 1 132 . 1 1 14 14 PHE HD1 H 1 7.080 0.020 . 1 . . . . . 12 PHE HD1 . 27051 1 133 . 1 1 14 14 PHE HD2 H 1 7.080 0.020 . 1 . . . . . 12 PHE HD2 . 27051 1 134 . 1 1 14 14 PHE C C 13 178.321 0.3 . 1 . . . . . 12 PHE C . 27051 1 135 . 1 1 14 14 PHE CA C 13 57.885 0.3 . 1 . . . . . 12 PHE CA . 27051 1 136 . 1 1 14 14 PHE CB C 13 41.027 0.3 . 1 . . . . . 12 PHE CB . 27051 1 137 . 1 1 15 15 GLU H H 1 8.625 0.020 . 1 . . . . . 13 GLU H . 27051 1 138 . 1 1 15 15 GLU HA H 1 4.342 0.020 . 1 . . . . . 13 GLU HA . 27051 1 139 . 1 1 15 15 GLU HB2 H 1 1.754 0.020 . 2 . . . . . 13 GLU HB2 . 27051 1 140 . 1 1 15 15 GLU HB3 H 1 1.994 0.020 . 2 . . . . . 13 GLU HB3 . 27051 1 141 . 1 1 15 15 GLU HG2 H 1 2.235 0.020 . 1 . . . . . 13 GLU HG2 . 27051 1 142 . 1 1 15 15 GLU HG3 H 1 2.235 0.020 . 1 . . . . . 13 GLU HG3 . 27051 1 143 . 1 1 15 15 GLU C C 13 179.350 0.3 . 1 . . . . . 13 GLU C . 27051 1 144 . 1 1 15 15 GLU CA C 13 57.656 0.3 . 1 . . . . . 13 GLU CA . 27051 1 145 . 1 1 15 15 GLU CB C 13 30.946 0.3 . 1 . . . . . 13 GLU CB . 27051 1 146 . 1 1 15 15 GLU CG C 13 36.884 0.3 . 1 . . . . . 13 GLU CG . 27051 1 147 . 1 1 15 15 GLU N N 15 120.832 0.3 . 1 . . . . . 13 GLU N . 27051 1 148 . 1 1 16 16 SER H H 1 9.268 0.020 . 1 . . . . . 14 SER H . 27051 1 149 . 1 1 16 16 SER HA H 1 4.278 0.020 . 1 . . . . . 14 SER HA . 27051 1 150 . 1 1 16 16 SER HB2 H 1 4.138 0.020 . 1 . . . . . 14 SER HB2 . 27051 1 151 . 1 1 16 16 SER HB3 H 1 4.138 0.020 . 1 . . . . . 14 SER HB3 . 27051 1 152 . 1 1 16 16 SER C C 13 176.971 0.3 . 1 . . . . . 14 SER C . 27051 1 153 . 1 1 16 16 SER CA C 13 62.481 0.3 . 1 . . . . . 14 SER CA . 27051 1 154 . 1 1 16 16 SER CB C 13 64.073 0.3 . 1 . . . . . 14 SER CB . 27051 1 155 . 1 1 16 16 SER N N 15 118.490 0.3 . 1 . . . . . 14 SER N . 27051 1 156 . 1 1 17 17 TRP H H 1 7.967 0.020 . 1 . . . . . 15 TRP H . 27051 1 157 . 1 1 17 17 TRP HA H 1 4.769 0.020 . 1 . . . . . 15 TRP HA . 27051 1 158 . 1 1 17 17 TRP HB2 H 1 3.348 0.020 . 1 . . . . . 15 TRP HB2 . 27051 1 159 . 1 1 17 17 TRP HB3 H 1 3.348 0.020 . 1 . . . . . 15 TRP HB3 . 27051 1 160 . 1 1 17 17 TRP HD1 H 1 7.392 0.020 . 1 . . . . . 15 TRP HD1 . 27051 1 161 . 1 1 17 17 TRP HE1 H 1 10.311 0.020 . 1 . . . . . 15 TRP HE1 . 27051 1 162 . 1 1 17 17 TRP C C 13 178.321 0.3 . 1 . . . . . 15 TRP C . 27051 1 163 . 1 1 17 17 TRP CA C 13 58.906 0.3 . 1 . . . . . 15 TRP CA . 27051 1 164 . 1 1 17 17 TRP CB C 13 29.840 0.3 . 1 . . . . . 15 TRP CB . 27051 1 165 . 1 1 17 17 TRP N N 15 116.331 0.3 . 1 . . . . . 15 TRP N . 27051 1 166 . 1 1 17 17 TRP NE1 N 15 129.728 0.3 . 1 . . . . . 15 TRP NE1 . 27051 1 167 . 1 1 18 18 VAL H H 1 6.896 0.020 . 1 . . . . . 16 VAL H . 27051 1 168 . 1 1 18 18 VAL HA H 1 3.049 0.020 . 1 . . . . . 16 VAL HA . 27051 1 169 . 1 1 18 18 VAL HB H 1 1.803 0.020 . 1 . . . . . 16 VAL HB . 27051 1 170 . 1 1 18 18 VAL HG11 H 1 0.455 0.020 . 2 . . . . . 16 VAL HG1 . 27051 1 171 . 1 1 18 18 VAL HG12 H 1 0.455 0.020 . 2 . . . . . 16 VAL HG1 . 27051 1 172 . 1 1 18 18 VAL HG13 H 1 0.455 0.020 . 2 . . . . . 16 VAL HG1 . 27051 1 173 . 1 1 18 18 VAL HG21 H 1 0.222 0.020 . 2 . . . . . 16 VAL HG2 . 27051 1 174 . 1 1 18 18 VAL HG22 H 1 0.222 0.020 . 2 . . . . . 16 VAL HG2 . 27051 1 175 . 1 1 18 18 VAL HG23 H 1 0.222 0.020 . 2 . . . . . 16 VAL HG2 . 27051 1 176 . 1 1 18 18 VAL C C 13 179.855 0.3 . 1 . . . . . 16 VAL C . 27051 1 177 . 1 1 18 18 VAL CA C 13 67.569 0.3 . 1 . . . . . 16 VAL CA . 27051 1 178 . 1 1 18 18 VAL CB C 13 31.716 0.3 . 1 . . . . . 16 VAL CB . 27051 1 179 . 1 1 18 18 VAL CG1 C 13 21.033 0.3 . 1 . . . . . 16 VAL CG1 . 27051 1 180 . 1 1 18 18 VAL CG2 C 13 22.542 0.3 . 1 . . . . . 16 VAL CG2 . 27051 1 181 . 1 1 18 18 VAL N N 15 122.413 0.3 . 1 . . . . . 16 VAL N . 27051 1 182 . 1 1 19 19 SER H H 1 7.718 0.020 . 1 . . . . . 17 SER H . 27051 1 183 . 1 1 19 19 SER HA H 1 4.121 0.020 . 1 . . . . . 17 SER HA . 27051 1 184 . 1 1 19 19 SER HB2 H 1 4.012 0.020 . 1 . . . . . 17 SER HB2 . 27051 1 185 . 1 1 19 19 SER HB3 H 1 4.012 0.020 . 1 . . . . . 17 SER HB3 . 27051 1 186 . 1 1 19 19 SER C C 13 177.992 0.3 . 1 . . . . . 17 SER C . 27051 1 187 . 1 1 19 19 SER CA C 13 62.884 0.3 . 1 . . . . . 17 SER CA . 27051 1 188 . 1 1 19 19 SER CB C 13 64.565 0.3 . 1 . . . . . 17 SER CB . 27051 1 189 . 1 1 19 19 SER N N 15 115.239 0.3 . 1 . . . . . 17 SER N . 27051 1 190 . 1 1 20 20 CYS H H 1 7.267 0.020 . 1 . . . . . 18 CYS H . 27051 1 191 . 1 1 20 20 CYS HA H 1 4.399 0.020 . 1 . . . . . 18 CYS HA . 27051 1 192 . 1 1 20 20 CYS HB2 H 1 3.482 0.020 . 2 . . . . . 18 CYS HB2 . 27051 1 193 . 1 1 20 20 CYS HB3 H 1 2.427 0.020 . 2 . . . . . 18 CYS HB3 . 27051 1 194 . 1 1 20 20 CYS C C 13 174.628 0.3 . 1 . . . . . 18 CYS C . 27051 1 195 . 1 1 20 20 CYS CA C 13 59.117 0.3 . 1 . . . . . 18 CYS CA . 27051 1 196 . 1 1 20 20 CYS CB C 13 42.757 0.3 . 1 . . . . . 18 CYS CB . 27051 1 197 . 1 1 20 20 CYS N N 15 115.760 0.3 . 1 . . . . . 18 CYS N . 27051 1 198 . 1 1 21 21 LEU H H 1 7.325 0.020 . 1 . . . . . 19 LEU H . 27051 1 199 . 1 1 21 21 LEU HA H 1 4.575 0.020 . 1 . . . . . 19 LEU HA . 27051 1 200 . 1 1 21 21 LEU HB2 H 1 2.300 0.020 . 2 . . . . . 19 LEU HB2 . 27051 1 201 . 1 1 21 21 LEU HB3 H 1 1.936 0.020 . 2 . . . . . 19 LEU HB3 . 27051 1 202 . 1 1 21 21 LEU HG H 1 1.750 0.020 . 1 . . . . . 19 LEU HG . 27051 1 203 . 1 1 21 21 LEU HD11 H 1 1.190 0.020 . 2 . . . . . 19 LEU HD1 . 27051 1 204 . 1 1 21 21 LEU HD12 H 1 1.190 0.020 . 2 . . . . . 19 LEU HD1 . 27051 1 205 . 1 1 21 21 LEU HD13 H 1 1.190 0.020 . 2 . . . . . 19 LEU HD1 . 27051 1 206 . 1 1 21 21 LEU HD21 H 1 1.148 0.020 . 2 . . . . . 19 LEU HD2 . 27051 1 207 . 1 1 21 21 LEU HD22 H 1 1.148 0.020 . 2 . . . . . 19 LEU HD2 . 27051 1 208 . 1 1 21 21 LEU HD23 H 1 1.148 0.020 . 2 . . . . . 19 LEU HD2 . 27051 1 209 . 1 1 21 21 LEU C C 13 176.769 0.3 . 1 . . . . . 19 LEU C . 27051 1 210 . 1 1 21 21 LEU CA C 13 52.808 0.3 . 1 . . . . . 19 LEU CA . 27051 1 211 . 1 1 21 21 LEU CB C 13 42.271 0.3 . 1 . . . . . 19 LEU CB . 27051 1 212 . 1 1 21 21 LEU CG C 13 29.787 0.3 . 1 . . . . . 19 LEU CG . 27051 1 213 . 1 1 21 21 LEU CD1 C 13 25.941 0.3 . 1 . . . . . 19 LEU CD1 . 27051 1 214 . 1 1 21 21 LEU CD2 C 13 25.945 0.3 . 1 . . . . . 19 LEU CD2 . 27051 1 215 . 1 1 21 21 LEU N N 15 116.267 0.3 . 1 . . . . . 19 LEU N . 27051 1 216 . 1 1 22 22 ASP H H 1 7.178 0.020 . 1 . . . . . 20 ASP H . 27051 1 217 . 1 1 22 22 ASP HA H 1 4.773 0.020 . 1 . . . . . 20 ASP HA . 27051 1 218 . 1 1 22 22 ASP HB2 H 1 2.985 0.020 . 1 . . . . . 20 ASP HB2 . 27051 1 219 . 1 1 22 22 ASP HB3 H 1 2.985 0.020 . 1 . . . . . 20 ASP HB3 . 27051 1 220 . 1 1 22 22 ASP C C 13 177.714 0.3 . 1 . . . . . 20 ASP C . 27051 1 221 . 1 1 22 22 ASP CA C 13 53.106 0.3 . 1 . . . . . 20 ASP CA . 27051 1 222 . 1 1 22 22 ASP CB C 13 42.272 0.3 . 1 . . . . . 20 ASP CB . 27051 1 223 . 1 1 22 22 ASP N N 15 123.716 0.3 . 1 . . . . . 20 ASP N . 27051 1 224 . 1 1 23 23 PRO HA H 1 3.976 0.020 . 1 . . . . . 21 PRO HA . 27051 1 225 . 1 1 23 23 PRO HB2 H 1 2.002 0.020 . 1 . . . . . 21 PRO HB2 . 27051 1 226 . 1 1 23 23 PRO HB3 H 1 2.002 0.020 . 1 . . . . . 21 PRO HB3 . 27051 1 227 . 1 1 23 23 PRO HG2 H 1 1.053 0.020 . 1 . . . . . 21 PRO HG2 . 27051 1 228 . 1 1 23 23 PRO HG3 H 1 1.053 0.020 . 1 . . . . . 21 PRO HG3 . 27051 1 229 . 1 1 23 23 PRO HD2 H 1 2.782 0.020 . 1 . . . . . 21 PRO HD2 . 27051 1 230 . 1 1 23 23 PRO HD3 H 1 2.782 0.020 . 1 . . . . . 21 PRO HD3 . 27051 1 231 . 1 1 23 23 PRO CA C 13 62.400 0.3 . 1 . . . . . 21 PRO CA . 27051 1 232 . 1 1 23 23 PRO CB C 13 31.438 0.3 . 1 . . . . . 21 PRO CB . 27051 1 233 . 1 1 23 23 PRO CG C 13 26.544 0.3 . 1 . . . . . 21 PRO CG . 27051 1 234 . 1 1 23 23 PRO CD C 13 50.182 0.3 . 1 . . . . . 21 PRO CD . 27051 1 235 . 1 1 24 24 GLU HA H 1 4.163 0.020 . 1 . . . . . 22 GLU HA . 27051 1 236 . 1 1 24 24 GLU HB2 H 1 2.180 0.020 . 1 . . . . . 22 GLU HB2 . 27051 1 237 . 1 1 24 24 GLU HB3 H 1 2.180 0.020 . 1 . . . . . 22 GLU HB3 . 27051 1 238 . 1 1 24 24 GLU HG2 H 1 2.350 0.020 . 1 . . . . . 22 GLU HG2 . 27051 1 239 . 1 1 24 24 GLU HG3 H 1 2.350 0.020 . 1 . . . . . 22 GLU HG3 . 27051 1 240 . 1 1 24 24 GLU CA C 13 58.524 0.3 . 1 . . . . . 22 GLU CA . 27051 1 241 . 1 1 24 24 GLU CB C 13 30.999 0.3 . 1 . . . . . 22 GLU CB . 27051 1 242 . 1 1 24 24 GLU CG C 13 37.124 0.3 . 1 . . . . . 22 GLU CG . 27051 1 243 . 1 1 25 25 GLN H H 1 8.747 0.020 . 1 . . . . . 23 GLN H . 27051 1 244 . 1 1 25 25 GLN HA H 1 4.176 0.020 . 1 . . . . . 23 GLN HA . 27051 1 245 . 1 1 25 25 GLN HB2 H 1 2.148 0.020 . 1 . . . . . 23 GLN HB2 . 27051 1 246 . 1 1 25 25 GLN HB3 H 1 2.148 0.020 . 1 . . . . . 23 GLN HB3 . 27051 1 247 . 1 1 25 25 GLN HG2 H 1 2.245 0.020 . 1 . . . . . 23 GLN HG2 . 27051 1 248 . 1 1 25 25 GLN HG3 H 1 2.245 0.020 . 1 . . . . . 23 GLN HG3 . 27051 1 249 . 1 1 25 25 GLN HE21 H 1 7.432 0.020 . 1 . . . . . 23 GLN HE21 . 27051 1 250 . 1 1 25 25 GLN HE22 H 1 6.925 0.020 . 1 . . . . . 23 GLN HE22 . 27051 1 251 . 1 1 25 25 GLN C C 13 176.963 0.3 . 1 . . . . . 23 GLN C . 27051 1 252 . 1 1 25 25 GLN CA C 13 57.727 0.3 . 1 . . . . . 23 GLN CA . 27051 1 253 . 1 1 25 25 GLN CB C 13 29.917 0.3 . 1 . . . . . 23 GLN CB . 27051 1 254 . 1 1 25 25 GLN CG C 13 34.284 0.3 . 1 . . . . . 23 GLN CG . 27051 1 255 . 1 1 25 25 GLN N N 15 124.901 0.3 . 1 . . . . . 23 GLN N . 27051 1 256 . 1 1 25 25 GLN NE2 N 15 111.281 0.3 . 1 . . . . . 23 GLN NE2 . 27051 1 257 . 1 1 26 26 VAL H H 1 8.762 0.020 . 1 . . . . . 24 VAL H . 27051 1 258 . 1 1 26 26 VAL HA H 1 4.624 0.020 . 1 . . . . . 24 VAL HA . 27051 1 259 . 1 1 26 26 VAL HB H 1 2.030 0.020 . 1 . . . . . 24 VAL HB . 27051 1 260 . 1 1 26 26 VAL HG11 H 1 0.599 0.020 . 2 . . . . . 24 VAL HG1 . 27051 1 261 . 1 1 26 26 VAL HG12 H 1 0.599 0.020 . 2 . . . . . 24 VAL HG1 . 27051 1 262 . 1 1 26 26 VAL HG13 H 1 0.599 0.020 . 2 . . . . . 24 VAL HG1 . 27051 1 263 . 1 1 26 26 VAL HG21 H 1 0.908 0.020 . 2 . . . . . 24 VAL HG2 . 27051 1 264 . 1 1 26 26 VAL HG22 H 1 0.908 0.020 . 2 . . . . . 24 VAL HG2 . 27051 1 265 . 1 1 26 26 VAL HG23 H 1 0.908 0.020 . 2 . . . . . 24 VAL HG2 . 27051 1 266 . 1 1 26 26 VAL C C 13 176.833 0.3 . 1 . . . . . 24 VAL C . 27051 1 267 . 1 1 26 26 VAL CA C 13 62.194 0.3 . 1 . . . . . 24 VAL CA . 27051 1 268 . 1 1 26 26 VAL CB C 13 34.000 0.3 . 1 . . . . . 24 VAL CB . 27051 1 269 . 1 1 26 26 VAL CG1 C 13 22.399 0.3 . 1 . . . . . 24 VAL CG1 . 27051 1 270 . 1 1 26 26 VAL CG2 C 13 21.920 0.3 . 1 . . . . . 24 VAL CG2 . 27051 1 271 . 1 1 26 26 VAL N N 15 128.351 0.3 . 1 . . . . . 24 VAL N . 27051 1 272 . 1 1 27 27 THR H H 1 8.733 0.020 . 1 . . . . . 25 THR H . 27051 1 273 . 1 1 27 27 THR HA H 1 4.699 0.020 . 1 . . . . . 25 THR HA . 27051 1 274 . 1 1 27 27 THR HB H 1 3.997 0.020 . 1 . . . . . 25 THR HB . 27051 1 275 . 1 1 27 27 THR HG21 H 1 1.207 0.020 . 1 . . . . . 25 THR HG2 . 27051 1 276 . 1 1 27 27 THR HG22 H 1 1.207 0.020 . 1 . . . . . 25 THR HG2 . 27051 1 277 . 1 1 27 27 THR HG23 H 1 1.207 0.020 . 1 . . . . . 25 THR HG2 . 27051 1 278 . 1 1 27 27 THR C C 13 174.572 0.3 . 1 . . . . . 25 THR C . 27051 1 279 . 1 1 27 27 THR CA C 13 61.149 0.3 . 1 . . . . . 25 THR CA . 27051 1 280 . 1 1 27 27 THR CB C 13 71.535 0.3 . 1 . . . . . 25 THR CB . 27051 1 281 . 1 1 27 27 THR CG2 C 13 22.189 0.3 . 1 . . . . . 25 THR CG2 . 27051 1 282 . 1 1 27 27 THR N N 15 122.694 0.3 . 1 . . . . . 25 THR N . 27051 1 283 . 1 1 28 28 CYS H H 1 9.122 0.020 . 1 . . . . . 26 CYS H . 27051 1 284 . 1 1 28 28 CYS HA H 1 4.825 0.020 . 1 . . . . . 26 CYS HA . 27051 1 285 . 1 1 28 28 CYS HB2 H 1 3.458 0.020 . 2 . . . . . 26 CYS HB2 . 27051 1 286 . 1 1 28 28 CYS HB3 H 1 2.994 0.020 . 2 . . . . . 26 CYS HB3 . 27051 1 287 . 1 1 28 28 CYS C C 13 174.739 0.3 . 1 . . . . . 26 CYS C . 27051 1 288 . 1 1 28 28 CYS CA C 13 56.803 0.3 . 1 . . . . . 26 CYS CA . 27051 1 289 . 1 1 28 28 CYS CB C 13 43.968 0.3 . 1 . . . . . 26 CYS CB . 27051 1 290 . 1 1 28 28 CYS N N 15 125.380 0.3 . 1 . . . . . 26 CYS N . 27051 1 291 . 1 1 29 29 GLU H H 1 8.449 0.020 . 1 . . . . . 27 GLU H . 27051 1 292 . 1 1 29 29 GLU HA H 1 4.214 0.020 . 1 . . . . . 27 GLU HA . 27051 1 293 . 1 1 29 29 GLU HB2 H 1 2.164 0.020 . 2 . . . . . 27 GLU HB2 . 27051 1 294 . 1 1 29 29 GLU HB3 H 1 2.136 0.020 . 2 . . . . . 27 GLU HB3 . 27051 1 295 . 1 1 29 29 GLU HG2 H 1 2.298 0.020 . 2 . . . . . 27 GLU HG2 . 27051 1 296 . 1 1 29 29 GLU HG3 H 1 2.362 0.020 . 2 . . . . . 27 GLU HG3 . 27051 1 297 . 1 1 29 29 GLU C C 13 176.908 0.3 . 1 . . . . . 27 GLU C . 27051 1 298 . 1 1 29 29 GLU CA C 13 58.475 0.3 . 1 . . . . . 27 GLU CA . 27051 1 299 . 1 1 29 29 GLU CB C 13 30.869 0.3 . 1 . . . . . 27 GLU CB . 27051 1 300 . 1 1 29 29 GLU CG C 13 36.891 0.3 . 1 . . . . . 27 GLU CG . 27051 1 301 . 1 1 29 29 GLU N N 15 123.271 0.3 . 1 . . . . . 27 GLU N . 27051 1 302 . 1 1 30 30 SER H H 1 7.953 0.020 . 1 . . . . . 28 SER H . 27051 1 303 . 1 1 30 30 SER HA H 1 4.877 0.020 . 1 . . . . . 28 SER HA . 27051 1 304 . 1 1 30 30 SER HB2 H 1 3.753 0.020 . 1 . . . . . 28 SER HB2 . 27051 1 305 . 1 1 30 30 SER HB3 H 1 3.753 0.020 . 1 . . . . . 28 SER HB3 . 27051 1 306 . 1 1 30 30 SER C C 13 175.962 0.3 . 1 . . . . . 28 SER C . 27051 1 307 . 1 1 30 30 SER CA C 13 56.289 0.3 . 1 . . . . . 28 SER CA . 27051 1 308 . 1 1 30 30 SER CB C 13 64.799 0.3 . 1 . . . . . 28 SER CB . 27051 1 309 . 1 1 30 30 SER N N 15 110.997 0.3 . 1 . . . . . 28 SER N . 27051 1 310 . 1 1 31 31 GLN H H 1 9.068 0.020 . 1 . . . . . 29 GLN H . 27051 1 311 . 1 1 31 31 GLN HA H 1 4.462 0.020 . 1 . . . . . 29 GLN HA . 27051 1 312 . 1 1 31 31 GLN HB2 H 1 2.059 0.020 . 1 . . . . . 29 GLN HB2 . 27051 1 313 . 1 1 31 31 GLN HB3 H 1 2.059 0.020 . 1 . . . . . 29 GLN HB3 . 27051 1 314 . 1 1 31 31 GLN HG2 H 1 2.433 0.020 . 1 . . . . . 29 GLN HG2 . 27051 1 315 . 1 1 31 31 GLN HG3 H 1 2.433 0.020 . 1 . . . . . 29 GLN HG3 . 27051 1 316 . 1 1 31 31 GLN HE21 H 1 7.577 0.020 . 1 . . . . . 29 GLN HE21 . 27051 1 317 . 1 1 31 31 GLN HE22 H 1 6.863 0.020 . 1 . . . . . 29 GLN HE22 . 27051 1 318 . 1 1 31 31 GLN C C 13 176.268 0.3 . 1 . . . . . 29 GLN C . 27051 1 319 . 1 1 31 31 GLN CA C 13 56.608 0.3 . 1 . . . . . 29 GLN CA . 27051 1 320 . 1 1 31 31 GLN CB C 13 30.277 0.3 . 1 . . . . . 29 GLN CB . 27051 1 321 . 1 1 31 31 GLN CG C 13 34.385 0.3 . 1 . . . . . 29 GLN CG . 27051 1 322 . 1 1 31 31 GLN N N 15 125.052 0.3 . 1 . . . . . 29 GLN N . 27051 1 323 . 1 1 31 31 GLN NE2 N 15 112.972 0.3 . 1 . . . . . 29 GLN NE2 . 27051 1 324 . 1 1 32 32 GLU H H 1 8.163 0.020 . 1 . . . . . 30 GLU H . 27051 1 325 . 1 1 32 32 GLU HA H 1 4.445 0.020 . 1 . . . . . 30 GLU HA . 27051 1 326 . 1 1 32 32 GLU HB2 H 1 2.151 0.020 . 2 . . . . . 30 GLU HB2 . 27051 1 327 . 1 1 32 32 GLU HB3 H 1 1.862 0.020 . 2 . . . . . 30 GLU HB3 . 27051 1 328 . 1 1 32 32 GLU HG2 H 1 2.255 0.020 . 1 . . . . . 30 GLU HG2 . 27051 1 329 . 1 1 32 32 GLU HG3 H 1 2.255 0.020 . 1 . . . . . 30 GLU HG3 . 27051 1 330 . 1 1 32 32 GLU C C 13 176.991 0.3 . 1 . . . . . 30 GLU C . 27051 1 331 . 1 1 32 32 GLU CA C 13 56.322 0.3 . 1 . . . . . 30 GLU CA . 27051 1 332 . 1 1 32 32 GLU CB C 13 31.368 0.3 . 1 . . . . . 30 GLU CB . 27051 1 333 . 1 1 32 32 GLU CG C 13 37.043 0.3 . 1 . . . . . 30 GLU CG . 27051 1 334 . 1 1 32 32 GLU N N 15 119.207 0.3 . 1 . . . . . 30 GLU N . 27051 1 335 . 1 1 33 33 GLY H H 1 8.195 0.020 . 1 . . . . . 31 GLY H . 27051 1 336 . 1 1 33 33 GLY HA2 H 1 4.061 0.020 . 2 . . . . . 31 GLY HA2 . 27051 1 337 . 1 1 33 33 GLY HA3 H 1 4.271 0.020 . 2 . . . . . 31 GLY HA3 . 27051 1 338 . 1 1 33 33 GLY C C 13 174.488 0.3 . 1 . . . . . 31 GLY C . 27051 1 339 . 1 1 33 33 GLY CA C 13 45.572 0.3 . 1 . . . . . 31 GLY CA . 27051 1 340 . 1 1 33 33 GLY N N 15 106.528 0.3 . 1 . . . . . 31 GLY N . 27051 1 341 . 1 1 34 34 THR H H 1 8.419 0.020 . 1 . . . . . 32 THR H . 27051 1 342 . 1 1 34 34 THR HA H 1 5.339 0.020 . 1 . . . . . 32 THR HA . 27051 1 343 . 1 1 34 34 THR HB H 1 4.305 0.020 . 1 . . . . . 32 THR HB . 27051 1 344 . 1 1 34 34 THR HG21 H 1 1.155 0.020 . 1 . . . . . 32 THR HG2 . 27051 1 345 . 1 1 34 34 THR HG22 H 1 1.155 0.020 . 1 . . . . . 32 THR HG2 . 27051 1 346 . 1 1 34 34 THR HG23 H 1 1.155 0.020 . 1 . . . . . 32 THR HG2 . 27051 1 347 . 1 1 34 34 THR C C 13 174.016 0.3 . 1 . . . . . 32 THR C . 27051 1 348 . 1 1 34 34 THR CA C 13 61.053 0.3 . 1 . . . . . 32 THR CA . 27051 1 349 . 1 1 34 34 THR CB C 13 74.406 0.3 . 1 . . . . . 32 THR CB . 27051 1 350 . 1 1 34 34 THR CG2 C 13 22.632 0.3 . 1 . . . . . 32 THR CG2 . 27051 1 351 . 1 1 34 34 THR N N 15 110.450 0.3 . 1 . . . . . 32 THR N . 27051 1 352 . 1 1 35 35 HIS H H 1 9.077 0.020 . 1 . . . . . 33 HIS H . 27051 1 353 . 1 1 35 35 HIS HA H 1 5.117 0.020 . 1 . . . . . 33 HIS HA . 27051 1 354 . 1 1 35 35 HIS HB2 H 1 3.659 0.020 . 2 . . . . . 33 HIS HB2 . 27051 1 355 . 1 1 35 35 HIS HB3 H 1 3.385 0.020 . 2 . . . . . 33 HIS HB3 . 27051 1 356 . 1 1 35 35 HIS HD2 H 1 7.260 0.020 . 1 . . . . . 33 HIS HD2 . 27051 1 357 . 1 1 35 35 HIS C C 13 172.098 0.3 . 1 . . . . . 33 HIS C . 27051 1 358 . 1 1 35 35 HIS CA C 13 55.307 0.3 . 1 . . . . . 33 HIS CA . 27051 1 359 . 1 1 35 35 HIS CB C 13 31.696 0.3 . 1 . . . . . 33 HIS CB . 27051 1 360 . 1 1 35 35 HIS N N 15 114.095 0.3 . 1 . . . . . 33 HIS N . 27051 1 361 . 1 1 36 36 ALA H H 1 9.326 0.020 . 1 . . . . . 34 ALA H . 27051 1 362 . 1 1 36 36 ALA HA H 1 5.800 0.020 . 1 . . . . . 34 ALA HA . 27051 1 363 . 1 1 36 36 ALA HB1 H 1 1.317 0.020 . 1 . . . . . 34 ALA HB . 27051 1 364 . 1 1 36 36 ALA HB2 H 1 1.317 0.020 . 1 . . . . . 34 ALA HB . 27051 1 365 . 1 1 36 36 ALA HB3 H 1 1.317 0.020 . 1 . . . . . 34 ALA HB . 27051 1 366 . 1 1 36 36 ALA C C 13 177.213 0.3 . 1 . . . . . 34 ALA C . 27051 1 367 . 1 1 36 36 ALA CA C 13 50.906 0.3 . 1 . . . . . 34 ALA CA . 27051 1 368 . 1 1 36 36 ALA CB C 13 23.252 0.3 . 1 . . . . . 34 ALA CB . 27051 1 369 . 1 1 36 36 ALA N N 15 120.247 0.3 . 1 . . . . . 34 ALA N . 27051 1 370 . 1 1 37 37 SER H H 1 9.100 0.020 . 1 . . . . . 35 SER H . 27051 1 371 . 1 1 37 37 SER HA H 1 4.931 0.020 . 1 . . . . . 35 SER HA . 27051 1 372 . 1 1 37 37 SER HB2 H 1 3.711 0.020 . 2 . . . . . 35 SER HB2 . 27051 1 373 . 1 1 37 37 SER HB3 H 1 4.151 0.020 . 2 . . . . . 35 SER HB3 . 27051 1 374 . 1 1 37 37 SER C C 13 173.238 0.3 . 1 . . . . . 35 SER C . 27051 1 375 . 1 1 37 37 SER CA C 13 59.701 0.3 . 1 . . . . . 35 SER CA . 27051 1 376 . 1 1 37 37 SER CB C 13 68.594 0.3 . 1 . . . . . 35 SER CB . 27051 1 377 . 1 1 37 37 SER N N 15 116.207 0.3 . 1 . . . . . 35 SER N . 27051 1 378 . 1 1 38 38 TYR H H 1 11.132 0.020 . 1 . . . . . 36 TYR H . 27051 1 379 . 1 1 38 38 TYR HA H 1 4.538 0.020 . 1 . . . . . 36 TYR HA . 27051 1 380 . 1 1 38 38 TYR HB2 H 1 3.514 0.020 . 1 . . . . . 36 TYR HB2 . 27051 1 381 . 1 1 38 38 TYR HB3 H 1 3.514 0.020 . 1 . . . . . 36 TYR HB3 . 27051 1 382 . 1 1 38 38 TYR HD1 H 1 7.118 0.020 . 1 . . . . . 36 TYR HD1 . 27051 1 383 . 1 1 38 38 TYR HD2 H 1 7.118 0.020 . 1 . . . . . 36 TYR HD2 . 27051 1 384 . 1 1 38 38 TYR C C 13 175.773 0.3 . 1 . . . . . 36 TYR C . 27051 1 385 . 1 1 38 38 TYR CA C 13 60.669 0.3 . 1 . . . . . 36 TYR CA . 27051 1 386 . 1 1 38 38 TYR CB C 13 40.611 0.3 . 1 . . . . . 36 TYR CB . 27051 1 387 . 1 1 38 38 TYR N N 15 129.811 0.3 . 1 . . . . . 36 TYR N . 27051 1 388 . 1 1 39 39 ASN H H 1 8.229 0.020 . 1 . . . . . 37 ASN H . 27051 1 389 . 1 1 39 39 ASN HA H 1 4.890 0.020 . 1 . . . . . 37 ASN HA . 27051 1 390 . 1 1 39 39 ASN HB2 H 1 2.437 0.020 . 1 . . . . . 37 ASN HB2 . 27051 1 391 . 1 1 39 39 ASN HB3 H 1 2.437 0.020 . 1 . . . . . 37 ASN HB3 . 27051 1 392 . 1 1 39 39 ASN HD21 H 1 8.330 0.020 . 1 . . . . . 37 ASN HD21 . 27051 1 393 . 1 1 39 39 ASN HD22 H 1 7.049 0.020 . 1 . . . . . 37 ASN HD22 . 27051 1 394 . 1 1 39 39 ASN C C 13 176.443 0.3 . 1 . . . . . 37 ASN C . 27051 1 395 . 1 1 39 39 ASN CA C 13 52.466 0.3 . 1 . . . . . 37 ASN CA . 27051 1 396 . 1 1 39 39 ASN CB C 13 38.879 0.3 . 1 . . . . . 37 ASN CB . 27051 1 397 . 1 1 39 39 ASN N N 15 127.143 0.3 . 1 . . . . . 37 ASN N . 27051 1 398 . 1 1 39 39 ASN ND2 N 15 113.723 0.3 . 1 . . . . . 37 ASN ND2 . 27051 1 399 . 1 1 40 40 ARG H H 1 9.035 0.020 . 1 . . . . . 38 ARG H . 27051 1 400 . 1 1 40 40 ARG HA H 1 3.858 0.020 . 1 . . . . . 38 ARG HA . 27051 1 401 . 1 1 40 40 ARG HB2 H 1 2.072 0.020 . 1 . . . . . 38 ARG HB2 . 27051 1 402 . 1 1 40 40 ARG HB3 H 1 2.072 0.020 . 1 . . . . . 38 ARG HB3 . 27051 1 403 . 1 1 40 40 ARG HG2 H 1 1.145 0.020 . 1 . . . . . 38 ARG HG2 . 27051 1 404 . 1 1 40 40 ARG HG3 H 1 1.145 0.020 . 1 . . . . . 38 ARG HG3 . 27051 1 405 . 1 1 40 40 ARG HD2 H 1 3.536 0.020 . 1 . . . . . 38 ARG HD2 . 27051 1 406 . 1 1 40 40 ARG HD3 H 1 3.536 0.020 . 1 . . . . . 38 ARG HD3 . 27051 1 407 . 1 1 40 40 ARG C C 13 175.935 0.3 . 1 . . . . . 38 ARG C . 27051 1 408 . 1 1 40 40 ARG CA C 13 58.619 0.3 . 1 . . . . . 38 ARG CA . 27051 1 409 . 1 1 40 40 ARG CB C 13 30.123 0.3 . 1 . . . . . 38 ARG CB . 27051 1 410 . 1 1 40 40 ARG CG C 13 25.945 0.3 . 1 . . . . . 38 ARG CG . 27051 1 411 . 1 1 40 40 ARG CD C 13 42.949 0.3 . 1 . . . . . 38 ARG CD . 27051 1 412 . 1 1 40 40 ARG N N 15 124.068 0.3 . 1 . . . . . 38 ARG N . 27051 1 413 . 1 1 41 41 LYS H H 1 8.508 0.020 . 1 . . . . . 39 LYS H . 27051 1 414 . 1 1 41 41 LYS HA H 1 4.217 0.020 . 1 . . . . . 39 LYS HA . 27051 1 415 . 1 1 41 41 LYS HB2 H 1 1.969 0.020 . 1 . . . . . 39 LYS HB2 . 27051 1 416 . 1 1 41 41 LYS HB3 H 1 1.969 0.020 . 1 . . . . . 39 LYS HB3 . 27051 1 417 . 1 1 41 41 LYS HG2 H 1 1.510 0.020 . 1 . . . . . 39 LYS HG2 . 27051 1 418 . 1 1 41 41 LYS HG3 H 1 1.510 0.020 . 1 . . . . . 39 LYS HG3 . 27051 1 419 . 1 1 41 41 LYS HD2 H 1 1.752 0.020 . 1 . . . . . 39 LYS HD2 . 27051 1 420 . 1 1 41 41 LYS HD3 H 1 1.752 0.020 . 1 . . . . . 39 LYS HD3 . 27051 1 421 . 1 1 41 41 LYS HE2 H 1 3.123 0.020 . 1 . . . . . 39 LYS HE2 . 27051 1 422 . 1 1 41 41 LYS HE3 H 1 3.123 0.020 . 1 . . . . . 39 LYS HE3 . 27051 1 423 . 1 1 41 41 LYS C C 13 177.936 0.3 . 1 . . . . . 39 LYS C . 27051 1 424 . 1 1 41 41 LYS CA C 13 58.860 0.3 . 1 . . . . . 39 LYS CA . 27051 1 425 . 1 1 41 41 LYS CB C 13 33.983 0.3 . 1 . . . . . 39 LYS CB . 27051 1 426 . 1 1 41 41 LYS CG C 13 26.518 0.3 . 1 . . . . . 39 LYS CG . 27051 1 427 . 1 1 41 41 LYS CD C 13 29.339 0.3 . 1 . . . . . 39 LYS CD . 27051 1 428 . 1 1 41 41 LYS CE C 13 43.008 0.3 . 1 . . . . . 39 LYS CE . 27051 1 429 . 1 1 41 41 LYS N N 15 117.487 0.3 . 1 . . . . . 39 LYS N . 27051 1 430 . 1 1 42 42 THR H H 1 7.064 0.020 . 1 . . . . . 40 THR H . 27051 1 431 . 1 1 42 42 THR HA H 1 4.553 0.020 . 1 . . . . . 40 THR HA . 27051 1 432 . 1 1 42 42 THR HB H 1 4.315 0.020 . 1 . . . . . 40 THR HB . 27051 1 433 . 1 1 42 42 THR HG21 H 1 1.138 0.020 . 1 . . . . . 40 THR HG2 . 27051 1 434 . 1 1 42 42 THR HG22 H 1 1.138 0.020 . 1 . . . . . 40 THR HG2 . 27051 1 435 . 1 1 42 42 THR HG23 H 1 1.138 0.020 . 1 . . . . . 40 THR HG2 . 27051 1 436 . 1 1 42 42 THR C C 13 177.797 0.3 . 1 . . . . . 40 THR C . 27051 1 437 . 1 1 42 42 THR CA C 13 61.454 0.3 . 1 . . . . . 40 THR CA . 27051 1 438 . 1 1 42 42 THR CB C 13 70.814 0.3 . 1 . . . . . 40 THR CB . 27051 1 439 . 1 1 42 42 THR CG2 C 13 22.115 0.3 . 1 . . . . . 40 THR CG2 . 27051 1 440 . 1 1 42 42 THR N N 15 104.707 0.3 . 1 . . . . . 40 THR N . 27051 1 441 . 1 1 43 43 GLY H H 1 8.563 0.020 . 1 . . . . . 41 GLY H . 27051 1 442 . 1 1 43 43 GLY HA2 H 1 3.797 0.020 . 2 . . . . . 41 GLY HA2 . 27051 1 443 . 1 1 43 43 GLY HA3 H 1 4.005 0.020 . 2 . . . . . 41 GLY HA3 . 27051 1 444 . 1 1 43 43 GLY C C 13 172.876 0.3 . 1 . . . . . 41 GLY C . 27051 1 445 . 1 1 43 43 GLY CA C 13 47.116 0.3 . 1 . . . . . 41 GLY CA . 27051 1 446 . 1 1 43 43 GLY N N 15 110.530 0.3 . 1 . . . . . 41 GLY N . 27051 1 447 . 1 1 44 44 GLN H H 1 7.244 0.020 . 1 . . . . . 42 GLN H . 27051 1 448 . 1 1 44 44 GLN HA H 1 4.977 0.020 . 1 . . . . . 42 GLN HA . 27051 1 449 . 1 1 44 44 GLN HB2 H 1 2.255 0.020 . 1 . . . . . 42 GLN HB2 . 27051 1 450 . 1 1 44 44 GLN HB3 H 1 2.255 0.020 . 1 . . . . . 42 GLN HB3 . 27051 1 451 . 1 1 44 44 GLN HG2 H 1 1.879 0.020 . 1 . . . . . 42 GLN HG2 . 27051 1 452 . 1 1 44 44 GLN HG3 H 1 1.879 0.020 . 1 . . . . . 42 GLN HG3 . 27051 1 453 . 1 1 44 44 GLN HE21 H 1 7.548 0.020 . 1 . . . . . 42 GLN HE21 . 27051 1 454 . 1 1 44 44 GLN HE22 H 1 6.931 0.020 . 1 . . . . . 42 GLN HE22 . 27051 1 455 . 1 1 44 44 GLN C C 13 176.574 0.3 . 1 . . . . . 42 GLN C . 27051 1 456 . 1 1 44 44 GLN CA C 13 54.382 0.3 . 1 . . . . . 42 GLN CA . 27051 1 457 . 1 1 44 44 GLN CB C 13 33.807 0.3 . 1 . . . . . 42 GLN CB . 27051 1 458 . 1 1 44 44 GLN CG C 13 36.225 0.3 . 1 . . . . . 42 GLN CG . 27051 1 459 . 1 1 44 44 GLN N N 15 114.270 0.3 . 1 . . . . . 42 GLN N . 27051 1 460 . 1 1 44 44 GLN NE2 N 15 111.389 0.3 . 1 . . . . . 42 GLN NE2 . 27051 1 461 . 1 1 45 45 CYS H H 1 9.115 0.020 . 1 . . . . . 43 CYS H . 27051 1 462 . 1 1 45 45 CYS HA H 1 5.203 0.020 . 1 . . . . . 43 CYS HA . 27051 1 463 . 1 1 45 45 CYS HB2 H 1 3.549 0.020 . 2 . . . . . 43 CYS HB2 . 27051 1 464 . 1 1 45 45 CYS HB3 H 1 2.569 0.020 . 2 . . . . . 43 CYS HB3 . 27051 1 465 . 1 1 45 45 CYS C C 13 176.483 0.3 . 1 . . . . . 43 CYS C . 27051 1 466 . 1 1 45 45 CYS CA C 13 59.815 0.3 . 1 . . . . . 43 CYS CA . 27051 1 467 . 1 1 45 45 CYS CB C 13 48.928 0.3 . 1 . . . . . 43 CYS CB . 27051 1 468 . 1 1 45 45 CYS N N 15 119.831 0.3 . 1 . . . . . 43 CYS N . 27051 1 469 . 1 1 46 46 GLU H H 1 9.154 0.020 . 1 . . . . . 44 GLU H . 27051 1 470 . 1 1 46 46 GLU HA H 1 4.658 0.020 . 1 . . . . . 44 GLU HA . 27051 1 471 . 1 1 46 46 GLU HB2 H 1 2.073 0.020 . 1 . . . . . 44 GLU HB2 . 27051 1 472 . 1 1 46 46 GLU HB3 H 1 2.073 0.020 . 1 . . . . . 44 GLU HB3 . 27051 1 473 . 1 1 46 46 GLU HG2 H 1 2.591 0.020 . 1 . . . . . 44 GLU HG2 . 27051 1 474 . 1 1 46 46 GLU HG3 H 1 2.591 0.020 . 1 . . . . . 44 GLU HG3 . 27051 1 475 . 1 1 46 46 GLU C C 13 175.704 0.3 . 1 . . . . . 44 GLU C . 27051 1 476 . 1 1 46 46 GLU CA C 13 54.344 0.3 . 1 . . . . . 44 GLU CA . 27051 1 477 . 1 1 46 46 GLU CB C 13 34.366 0.3 . 1 . . . . . 44 GLU CB . 27051 1 478 . 1 1 46 46 GLU CG C 13 32.945 0.3 . 1 . . . . . 44 GLU CG . 27051 1 479 . 1 1 46 46 GLU N N 15 119.776 0.3 . 1 . . . . . 44 GLU N . 27051 1 480 . 1 1 47 47 GLU HA H 1 4.791 0.020 . 1 . . . . . 45 GLU HA . 27051 1 481 . 1 1 47 47 GLU HB2 H 1 2.050 0.020 . 1 . . . . . 45 GLU HB2 . 27051 1 482 . 1 1 47 47 GLU HB3 H 1 2.050 0.020 . 1 . . . . . 45 GLU HB3 . 27051 1 483 . 1 1 47 47 GLU HG2 H 1 2.263 0.020 . 1 . . . . . 45 GLU HG2 . 27051 1 484 . 1 1 47 47 GLU HG3 H 1 2.263 0.020 . 1 . . . . . 45 GLU HG3 . 27051 1 485 . 1 1 47 47 GLU C C 13 176.689 0.3 . 1 . . . . . 45 GLU C . 27051 1 486 . 1 1 47 47 GLU CA C 13 55.095 0.3 . 1 . . . . . 45 GLU CA . 27051 1 487 . 1 1 47 47 GLU CB C 13 32.308 0.3 . 1 . . . . . 45 GLU CB . 27051 1 488 . 1 1 47 47 GLU CG C 13 36.732 0.3 . 1 . . . . . 45 GLU CG . 27051 1 489 . 1 1 48 48 GLN H H 1 8.989 0.020 . 1 . . . . . 46 GLN H . 27051 1 490 . 1 1 48 48 GLN HA H 1 4.693 0.020 . 1 . . . . . 46 GLN HA . 27051 1 491 . 1 1 48 48 GLN HB2 H 1 2.073 0.020 . 1 . . . . . 46 GLN HB2 . 27051 1 492 . 1 1 48 48 GLN HB3 H 1 2.073 0.020 . 1 . . . . . 46 GLN HB3 . 27051 1 493 . 1 1 48 48 GLN C C 13 175.051 0.3 . 1 . . . . . 46 GLN C . 27051 1 494 . 1 1 48 48 GLN CA C 13 57.283 0.3 . 1 . . . . . 46 GLN CA . 27051 1 495 . 1 1 48 48 GLN CB C 13 34.008 0.3 . 1 . . . . . 46 GLN CB . 27051 1 496 . 1 1 48 48 GLN N N 15 122.363 0.3 . 1 . . . . . 46 GLN N . 27051 1 497 . 1 1 49 49 LYS H H 1 8.610 0.020 . 1 . . . . . 47 LYS H . 27051 1 498 . 1 1 49 49 LYS HA H 1 4.368 0.020 . 1 . . . . . 47 LYS HA . 27051 1 499 . 1 1 49 49 LYS HB2 H 1 2.007 0.020 . 1 . . . . . 47 LYS HB2 . 27051 1 500 . 1 1 49 49 LYS HB3 H 1 2.007 0.020 . 1 . . . . . 47 LYS HB3 . 27051 1 501 . 1 1 49 49 LYS HG2 H 1 1.360 0.020 . 1 . . . . . 47 LYS HG2 . 27051 1 502 . 1 1 49 49 LYS HG3 H 1 1.360 0.020 . 1 . . . . . 47 LYS HG3 . 27051 1 503 . 1 1 49 49 LYS HD2 H 1 1.708 0.020 . 1 . . . . . 47 LYS HD2 . 27051 1 504 . 1 1 49 49 LYS HD3 H 1 1.708 0.020 . 1 . . . . . 47 LYS HD3 . 27051 1 505 . 1 1 49 49 LYS HE2 H 1 3.067 0.020 . 1 . . . . . 47 LYS HE2 . 27051 1 506 . 1 1 49 49 LYS HE3 H 1 3.067 0.020 . 1 . . . . . 47 LYS HE3 . 27051 1 507 . 1 1 49 49 LYS C C 13 178.131 0.3 . 1 . . . . . 47 LYS C . 27051 1 508 . 1 1 49 49 LYS CA C 13 58.333 0.3 . 1 . . . . . 47 LYS CA . 27051 1 509 . 1 1 49 49 LYS CB C 13 33.710 0.3 . 1 . . . . . 47 LYS CB . 27051 1 510 . 1 1 49 49 LYS CG C 13 25.863 0.3 . 1 . . . . . 47 LYS CG . 27051 1 511 . 1 1 49 49 LYS CD C 13 30.080 0.3 . 1 . . . . . 47 LYS CD . 27051 1 512 . 1 1 49 49 LYS CE C 13 42.982 0.3 . 1 . . . . . 47 LYS CE . 27051 1 513 . 1 1 49 49 LYS N N 15 120.971 0.3 . 1 . . . . . 47 LYS N . 27051 1 514 . 1 1 50 50 GLY H H 1 8.200 0.020 . 1 . . . . . 48 GLY H . 27051 1 515 . 1 1 50 50 GLY HA2 H 1 4.048 0.020 . 2 . . . . . 48 GLY HA2 . 27051 1 516 . 1 1 50 50 GLY HA3 H 1 4.660 0.020 . 2 . . . . . 48 GLY HA3 . 27051 1 517 . 1 1 50 50 GLY C C 13 178.237 0.3 . 1 . . . . . 48 GLY C . 27051 1 518 . 1 1 50 50 GLY CA C 13 45.226 0.3 . 1 . . . . . 48 GLY CA . 27051 1 519 . 1 1 50 50 GLY N N 15 112.664 0.3 . 1 . . . . . 48 GLY N . 27051 1 520 . 1 1 51 51 THR H H 1 8.721 0.020 . 1 . . . . . 49 THR H . 27051 1 521 . 1 1 51 51 THR HA H 1 4.775 0.020 . 1 . . . . . 49 THR HA . 27051 1 522 . 1 1 51 51 THR HB H 1 4.335 0.020 . 1 . . . . . 49 THR HB . 27051 1 523 . 1 1 51 51 THR HG21 H 1 1.387 0.020 . 1 . . . . . 49 THR HG2 . 27051 1 524 . 1 1 51 51 THR HG22 H 1 1.387 0.020 . 1 . . . . . 49 THR HG2 . 27051 1 525 . 1 1 51 51 THR HG23 H 1 1.387 0.020 . 1 . . . . . 49 THR HG2 . 27051 1 526 . 1 1 51 51 THR C C 13 174.350 0.3 . 1 . . . . . 49 THR C . 27051 1 527 . 1 1 51 51 THR CA C 13 61.581 0.3 . 1 . . . . . 49 THR CA . 27051 1 528 . 1 1 51 51 THR CB C 13 73.270 0.3 . 1 . . . . . 49 THR CB . 27051 1 529 . 1 1 51 51 THR CG2 C 13 23.523 0.3 . 1 . . . . . 49 THR CG2 . 27051 1 530 . 1 1 51 51 THR N N 15 115.024 0.3 . 1 . . . . . 49 THR N . 27051 1 531 . 1 1 52 52 GLU H H 1 8.689 0.020 . 1 . . . . . 50 GLU H . 27051 1 532 . 1 1 52 52 GLU HA H 1 4.011 0.020 . 1 . . . . . 50 GLU HA . 27051 1 533 . 1 1 52 52 GLU HB2 H 1 2.210 0.020 . 1 . . . . . 50 GLU HB2 . 27051 1 534 . 1 1 52 52 GLU HB3 H 1 2.210 0.020 . 1 . . . . . 50 GLU HB3 . 27051 1 535 . 1 1 52 52 GLU HG2 H 1 2.349 0.020 . 1 . . . . . 50 GLU HG2 . 27051 1 536 . 1 1 52 52 GLU HG3 H 1 2.349 0.020 . 1 . . . . . 50 GLU HG3 . 27051 1 537 . 1 1 52 52 GLU C C 13 177.825 0.3 . 1 . . . . . 50 GLU C . 27051 1 538 . 1 1 52 52 GLU CA C 13 57.795 0.3 . 1 . . . . . 50 GLU CA . 27051 1 539 . 1 1 52 52 GLU CB C 13 27.707 0.3 . 1 . . . . . 50 GLU CB . 27051 1 540 . 1 1 52 52 GLU CG C 13 36.649 0.3 . 1 . . . . . 50 GLU CG . 27051 1 541 . 1 1 52 52 GLU N N 15 118.050 0.3 . 1 . . . . . 50 GLU N . 27051 1 542 . 1 1 53 53 CYS H H 1 8.167 0.020 . 1 . . . . . 51 CYS H . 27051 1 543 . 1 1 53 53 CYS HA H 1 5.099 0.020 . 1 . . . . . 51 CYS HA . 27051 1 544 . 1 1 53 53 CYS HB2 H 1 1.949 0.020 . 1 . . . . . 51 CYS HB2 . 27051 1 545 . 1 1 53 53 CYS HB3 H 1 1.949 0.020 . 1 . . . . . 51 CYS HB3 . 27051 1 546 . 1 1 53 53 CYS C C 13 174.072 0.3 . 1 . . . . . 51 CYS C . 27051 1 547 . 1 1 53 53 CYS CA C 13 56.691 0.3 . 1 . . . . . 51 CYS CA . 27051 1 548 . 1 1 53 53 CYS CB C 13 45.488 0.3 . 1 . . . . . 51 CYS CB . 27051 1 549 . 1 1 53 53 CYS N N 15 120.236 0.3 . 1 . . . . . 51 CYS N . 27051 1 550 . 1 1 54 54 GLY H H 1 8.474 0.020 . 1 . . . . . 52 GLY H . 27051 1 551 . 1 1 54 54 GLY HA2 H 1 3.805 0.020 . 2 . . . . . 52 GLY HA2 . 27051 1 552 . 1 1 54 54 GLY HA3 H 1 4.079 0.020 . 2 . . . . . 52 GLY HA3 . 27051 1 553 . 1 1 54 54 GLY C C 13 172.015 0.3 . 1 . . . . . 52 GLY C . 27051 1 554 . 1 1 54 54 GLY CA C 13 45.359 0.3 . 1 . . . . . 52 GLY CA . 27051 1 555 . 1 1 54 54 GLY N N 15 110.234 0.3 . 1 . . . . . 52 GLY N . 27051 1 556 . 1 1 55 55 GLY H H 1 8.391 0.020 . 1 . . . . . 53 GLY H . 27051 1 557 . 1 1 55 55 GLY HA2 H 1 4.743 0.020 . 2 . . . . . 53 GLY HA2 . 27051 1 558 . 1 1 55 55 GLY HA3 H 1 3.546 0.020 . 2 . . . . . 53 GLY HA3 . 27051 1 559 . 1 1 55 55 GLY C C 13 175.490 0.3 . 1 . . . . . 53 GLY C . 27051 1 560 . 1 1 55 55 GLY CA C 13 46.023 0.3 . 1 . . . . . 53 GLY CA . 27051 1 561 . 1 1 55 55 GLY N N 15 108.026 0.3 . 1 . . . . . 53 GLY N . 27051 1 562 . 1 1 56 56 GLY H H 1 8.004 0.020 . 1 . . . . . 54 GLY H . 27051 1 563 . 1 1 56 56 GLY HA2 H 1 3.609 0.020 . 1 . . . . . 54 GLY HA2 . 27051 1 564 . 1 1 56 56 GLY HA3 H 1 3.609 0.020 . 1 . . . . . 54 GLY HA3 . 27051 1 565 . 1 1 56 56 GLY C C 13 172.904 0.3 . 1 . . . . . 54 GLY C . 27051 1 566 . 1 1 56 56 GLY CA C 13 45.989 0.3 . 1 . . . . . 54 GLY CA . 27051 1 567 . 1 1 56 56 GLY N N 15 113.207 0.3 . 1 . . . . . 54 GLY N . 27051 1 568 . 1 1 57 57 GLU H H 1 9.033 0.020 . 1 . . . . . 55 GLU H . 27051 1 569 . 1 1 57 57 GLU HA H 1 4.294 0.020 . 1 . . . . . 55 GLU HA . 27051 1 570 . 1 1 57 57 GLU HB2 H 1 2.117 0.020 . 1 . . . . . 55 GLU HB2 . 27051 1 571 . 1 1 57 57 GLU HB3 H 1 2.117 0.020 . 1 . . . . . 55 GLU HB3 . 27051 1 572 . 1 1 57 57 GLU HG2 H 1 2.321 0.020 . 1 . . . . . 55 GLU HG2 . 27051 1 573 . 1 1 57 57 GLU HG3 H 1 2.321 0.020 . 1 . . . . . 55 GLU HG3 . 27051 1 574 . 1 1 57 57 GLU C C 13 178.377 0.3 . 1 . . . . . 55 GLU C . 27051 1 575 . 1 1 57 57 GLU CA C 13 57.500 0.3 . 1 . . . . . 55 GLU CA . 27051 1 576 . 1 1 57 57 GLU CB C 13 30.625 0.3 . 1 . . . . . 55 GLU CB . 27051 1 577 . 1 1 57 57 GLU CG C 13 36.718 0.3 . 1 . . . . . 55 GLU CG . 27051 1 578 . 1 1 57 57 GLU N N 15 114.431 0.3 . 1 . . . . . 55 GLU N . 27051 1 579 . 1 1 58 58 ASN H H 1 8.546 0.020 . 1 . . . . . 56 ASN H . 27051 1 580 . 1 1 58 58 ASN HA H 1 4.916 0.020 . 1 . . . . . 56 ASN HA . 27051 1 581 . 1 1 58 58 ASN HB2 H 1 3.341 0.020 . 2 . . . . . 56 ASN HB2 . 27051 1 582 . 1 1 58 58 ASN HB3 H 1 3.082 0.020 . 2 . . . . . 56 ASN HB3 . 27051 1 583 . 1 1 58 58 ASN HD21 H 1 8.401 0.020 . 1 . . . . . 56 ASN HD21 . 27051 1 584 . 1 1 58 58 ASN HD22 H 1 7.723 0.020 . 1 . . . . . 56 ASN HD22 . 27051 1 585 . 1 1 58 58 ASN C C 13 176.296 0.3 . 1 . . . . . 56 ASN C . 27051 1 586 . 1 1 58 58 ASN CA C 13 53.234 0.3 . 1 . . . . . 56 ASN CA . 27051 1 587 . 1 1 58 58 ASN CB C 13 36.961 0.3 . 1 . . . . . 56 ASN CB . 27051 1 588 . 1 1 58 58 ASN N N 15 118.453 0.3 . 1 . . . . . 56 ASN N . 27051 1 589 . 1 1 58 58 ASN ND2 N 15 109.506 0.3 . 1 . . . . . 56 ASN ND2 . 27051 1 590 . 1 1 59 59 HIS H H 1 7.695 0.020 . 1 . . . . . 57 HIS H . 27051 1 591 . 1 1 59 59 HIS HA H 1 5.112 0.020 . 1 . . . . . 57 HIS HA . 27051 1 592 . 1 1 59 59 HIS HB2 H 1 3.041 0.020 . 2 . . . . . 57 HIS HB2 . 27051 1 593 . 1 1 59 59 HIS HB3 H 1 2.493 0.020 . 2 . . . . . 57 HIS HB3 . 27051 1 594 . 1 1 59 59 HIS HD2 H 1 7.294 0.020 . 1 . . . . . 57 HIS HD2 . 27051 1 595 . 1 1 59 59 HIS C C 13 171.014 0.3 . 1 . . . . . 57 HIS C . 27051 1 596 . 1 1 59 59 HIS CA C 13 55.573 0.3 . 1 . . . . . 57 HIS CA . 27051 1 597 . 1 1 59 59 HIS CB C 13 30.148 0.3 . 1 . . . . . 57 HIS CB . 27051 1 598 . 1 1 59 59 HIS N N 15 117.525 0.3 . 1 . . . . . 57 HIS N . 27051 1 599 . 1 1 60 60 PHE H H 1 9.334 0.020 . 1 . . . . . 58 PHE H . 27051 1 600 . 1 1 60 60 PHE HA H 1 4.826 0.020 . 1 . . . . . 58 PHE HA . 27051 1 601 . 1 1 60 60 PHE HB2 H 1 3.209 0.020 . 2 . . . . . 58 PHE HB2 . 27051 1 602 . 1 1 60 60 PHE HB3 H 1 2.605 0.020 . 2 . . . . . 58 PHE HB3 . 27051 1 603 . 1 1 60 60 PHE HD1 H 1 7.138 0.020 . 1 . . . . . 58 PHE HD1 . 27051 1 604 . 1 1 60 60 PHE HD2 H 1 7.138 0.020 . 1 . . . . . 58 PHE HD2 . 27051 1 605 . 1 1 60 60 PHE C C 13 177.547 0.3 . 1 . . . . . 58 PHE C . 27051 1 606 . 1 1 60 60 PHE CA C 13 56.765 0.3 . 1 . . . . . 58 PHE CA . 27051 1 607 . 1 1 60 60 PHE CB C 13 44.158 0.3 . 1 . . . . . 58 PHE CB . 27051 1 608 . 1 1 60 60 PHE N N 15 118.402 0.3 . 1 . . . . . 58 PHE N . 27051 1 609 . 1 1 61 61 GLU H H 1 9.791 0.020 . 1 . . . . . 59 GLU H . 27051 1 610 . 1 1 61 61 GLU HA H 1 4.403 0.020 . 1 . . . . . 59 GLU HA . 27051 1 611 . 1 1 61 61 GLU HB2 H 1 2.318 0.020 . 1 . . . . . 59 GLU HB2 . 27051 1 612 . 1 1 61 61 GLU HB3 H 1 2.318 0.020 . 1 . . . . . 59 GLU HB3 . 27051 1 613 . 1 1 61 61 GLU HG2 H 1 2.241 0.020 . 1 . . . . . 59 GLU HG2 . 27051 1 614 . 1 1 61 61 GLU HG3 H 1 2.241 0.020 . 1 . . . . . 59 GLU HG3 . 27051 1 615 . 1 1 61 61 GLU C C 13 177.453 0.3 . 1 . . . . . 59 GLU C . 27051 1 616 . 1 1 61 61 GLU CA C 13 61.013 0.3 . 1 . . . . . 59 GLU CA . 27051 1 617 . 1 1 61 61 GLU CB C 13 31.581 0.3 . 1 . . . . . 59 GLU CB . 27051 1 618 . 1 1 61 61 GLU CG C 13 37.359 0.3 . 1 . . . . . 59 GLU CG . 27051 1 619 . 1 1 61 61 GLU N N 15 121.280 0.3 . 1 . . . . . 59 GLU N . 27051 1 620 . 1 1 62 62 THR H H 1 7.109 0.020 . 1 . . . . . 60 THR H . 27051 1 621 . 1 1 62 62 THR HA H 1 4.810 0.020 . 1 . . . . . 60 THR HA . 27051 1 622 . 1 1 62 62 THR HB H 1 4.137 0.020 . 1 . . . . . 60 THR HB . 27051 1 623 . 1 1 62 62 THR HG21 H 1 1.357 0.020 . 1 . . . . . 60 THR HG2 . 27051 1 624 . 1 1 62 62 THR HG22 H 1 1.357 0.020 . 1 . . . . . 60 THR HG2 . 27051 1 625 . 1 1 62 62 THR HG23 H 1 1.357 0.020 . 1 . . . . . 60 THR HG2 . 27051 1 626 . 1 1 62 62 THR C C 13 175.509 0.3 . 1 . . . . . 60 THR C . 27051 1 627 . 1 1 62 62 THR CA C 13 58.497 0.3 . 1 . . . . . 60 THR CA . 27051 1 628 . 1 1 62 62 THR CB C 13 74.424 0.3 . 1 . . . . . 60 THR CB . 27051 1 629 . 1 1 62 62 THR CG2 C 13 22.489 0.3 . 1 . . . . . 60 THR CG2 . 27051 1 630 . 1 1 62 62 THR N N 15 100.366 0.3 . 1 . . . . . 60 THR N . 27051 1 631 . 1 1 63 63 LEU H H 1 9.280 0.020 . 1 . . . . . 61 LEU H . 27051 1 632 . 1 1 63 63 LEU HA H 1 3.737 0.020 . 1 . . . . . 61 LEU HA . 27051 1 633 . 1 1 63 63 LEU HB2 H 1 1.690 0.020 . 1 . . . . . 61 LEU HB2 . 27051 1 634 . 1 1 63 63 LEU HB3 H 1 1.690 0.020 . 1 . . . . . 61 LEU HB3 . 27051 1 635 . 1 1 63 63 LEU HG H 1 1.678 0.020 . 1 . . . . . 61 LEU HG . 27051 1 636 . 1 1 63 63 LEU HD11 H 1 0.931 0.020 . 2 . . . . . 61 LEU HD1 . 27051 1 637 . 1 1 63 63 LEU HD12 H 1 0.931 0.020 . 2 . . . . . 61 LEU HD1 . 27051 1 638 . 1 1 63 63 LEU HD13 H 1 0.931 0.020 . 2 . . . . . 61 LEU HD1 . 27051 1 639 . 1 1 63 63 LEU HD21 H 1 0.915 0.020 . 2 . . . . . 61 LEU HD2 . 27051 1 640 . 1 1 63 63 LEU HD22 H 1 0.915 0.020 . 2 . . . . . 61 LEU HD2 . 27051 1 641 . 1 1 63 63 LEU HD23 H 1 0.915 0.020 . 2 . . . . . 61 LEU HD2 . 27051 1 642 . 1 1 63 63 LEU C C 13 178.790 0.3 . 1 . . . . . 61 LEU C . 27051 1 643 . 1 1 63 63 LEU CA C 13 59.253 0.3 . 1 . . . . . 61 LEU CA . 27051 1 644 . 1 1 63 63 LEU CB C 13 43.054 0.3 . 1 . . . . . 61 LEU CB . 27051 1 645 . 1 1 63 63 LEU CG C 13 27.793 0.3 . 1 . . . . . 61 LEU CG . 27051 1 646 . 1 1 63 63 LEU CD1 C 13 24.431 0.3 . 1 . . . . . 61 LEU CD1 . 27051 1 647 . 1 1 63 63 LEU CD2 C 13 25.415 0.3 . 1 . . . . . 61 LEU CD2 . 27051 1 648 . 1 1 63 63 LEU N N 15 123.689 0.3 . 1 . . . . . 61 LEU N . 27051 1 649 . 1 1 64 64 LEU H H 1 8.103 0.020 . 1 . . . . . 62 LEU H . 27051 1 650 . 1 1 64 64 LEU HA H 1 4.176 0.020 . 1 . . . . . 62 LEU HA . 27051 1 651 . 1 1 64 64 LEU HB2 H 1 1.717 0.020 . 1 . . . . . 62 LEU HB2 . 27051 1 652 . 1 1 64 64 LEU HB3 H 1 1.717 0.020 . 1 . . . . . 62 LEU HB3 . 27051 1 653 . 1 1 64 64 LEU HG H 1 1.673 0.020 . 1 . . . . . 62 LEU HG . 27051 1 654 . 1 1 64 64 LEU HD11 H 1 0.689 0.020 . 2 . . . . . 62 LEU HD1 . 27051 1 655 . 1 1 64 64 LEU HD12 H 1 0.689 0.020 . 2 . . . . . 62 LEU HD1 . 27051 1 656 . 1 1 64 64 LEU HD13 H 1 0.689 0.020 . 2 . . . . . 62 LEU HD1 . 27051 1 657 . 1 1 64 64 LEU HD21 H 1 0.416 0.020 . 2 . . . . . 62 LEU HD2 . 27051 1 658 . 1 1 64 64 LEU HD22 H 1 0.416 0.020 . 2 . . . . . 62 LEU HD2 . 27051 1 659 . 1 1 64 64 LEU HD23 H 1 0.416 0.020 . 2 . . . . . 62 LEU HD2 . 27051 1 660 . 1 1 64 64 LEU C C 13 179.778 0.3 . 1 . . . . . 62 LEU C . 27051 1 661 . 1 1 64 64 LEU CA C 13 59.438 0.3 . 1 . . . . . 62 LEU CA . 27051 1 662 . 1 1 64 64 LEU CB C 13 42.614 0.3 . 1 . . . . . 62 LEU CB . 27051 1 663 . 1 1 64 64 LEU CG C 13 27.705 0.3 . 1 . . . . . 62 LEU CG . 27051 1 664 . 1 1 64 64 LEU CD1 C 13 25.953 0.3 . 1 . . . . . 62 LEU CD1 . 27051 1 665 . 1 1 64 64 LEU CD2 C 13 23.856 0.3 . 1 . . . . . 62 LEU CD2 . 27051 1 666 . 1 1 64 64 LEU N N 15 118.899 0.3 . 1 . . . . . 62 LEU N . 27051 1 667 . 1 1 65 65 LYS H H 1 7.965 0.020 . 1 . . . . . 63 LYS H . 27051 1 668 . 1 1 65 65 LYS HA H 1 4.243 0.020 . 1 . . . . . 63 LYS HA . 27051 1 669 . 1 1 65 65 LYS HB2 H 1 2.123 0.020 . 1 . . . . . 63 LYS HB2 . 27051 1 670 . 1 1 65 65 LYS HB3 H 1 2.123 0.020 . 1 . . . . . 63 LYS HB3 . 27051 1 671 . 1 1 65 65 LYS HG2 H 1 1.690 0.020 . 1 . . . . . 63 LYS HG2 . 27051 1 672 . 1 1 65 65 LYS HG3 H 1 1.690 0.020 . 1 . . . . . 63 LYS HG3 . 27051 1 673 . 1 1 65 65 LYS HD2 H 1 1.785 0.020 . 1 . . . . . 63 LYS HD2 . 27051 1 674 . 1 1 65 65 LYS HD3 H 1 1.785 0.020 . 1 . . . . . 63 LYS HD3 . 27051 1 675 . 1 1 65 65 LYS HE2 H 1 3.175 0.020 . 1 . . . . . 63 LYS HE2 . 27051 1 676 . 1 1 65 65 LYS HE3 H 1 3.175 0.020 . 1 . . . . . 63 LYS HE3 . 27051 1 677 . 1 1 65 65 LYS C C 13 179.656 0.3 . 1 . . . . . 63 LYS C . 27051 1 678 . 1 1 65 65 LYS CA C 13 59.309 0.3 . 1 . . . . . 63 LYS CA . 27051 1 679 . 1 1 65 65 LYS CB C 13 33.987 0.3 . 1 . . . . . 63 LYS CB . 27051 1 680 . 1 1 65 65 LYS CG C 13 25.659 0.3 . 1 . . . . . 63 LYS CG . 27051 1 681 . 1 1 65 65 LYS CD C 13 29.529 0.3 . 1 . . . . . 63 LYS CD . 27051 1 682 . 1 1 65 65 LYS CE C 13 43.057 0.3 . 1 . . . . . 63 LYS CE . 27051 1 683 . 1 1 65 65 LYS N N 15 118.229 0.3 . 1 . . . . . 63 LYS N . 27051 1 684 . 1 1 66 66 CYS H H 1 7.843 0.020 . 1 . . . . . 64 CYS H . 27051 1 685 . 1 1 66 66 CYS HA H 1 4.065 0.020 . 1 . . . . . 64 CYS HA . 27051 1 686 . 1 1 66 66 CYS HB2 H 1 3.217 0.020 . 2 . . . . . 64 CYS HB2 . 27051 1 687 . 1 1 66 66 CYS HB3 H 1 2.697 0.020 . 2 . . . . . 64 CYS HB3 . 27051 1 688 . 1 1 66 66 CYS C C 13 175.853 0.3 . 1 . . . . . 64 CYS C . 27051 1 689 . 1 1 66 66 CYS CA C 13 60.100 0.3 . 1 . . . . . 64 CYS CA . 27051 1 690 . 1 1 66 66 CYS CB C 13 40.858 0.3 . 1 . . . . . 64 CYS CB . 27051 1 691 . 1 1 66 66 CYS N N 15 120.111 0.3 . 1 . . . . . 64 CYS N . 27051 1 692 . 1 1 67 67 ASN H H 1 8.889 0.020 . 1 . . . . . 65 ASN H . 27051 1 693 . 1 1 67 67 ASN HA H 1 4.226 0.020 . 1 . . . . . 65 ASN HA . 27051 1 694 . 1 1 67 67 ASN HB2 H 1 2.910 0.020 . 1 . . . . . 65 ASN HB2 . 27051 1 695 . 1 1 67 67 ASN HB3 H 1 2.910 0.020 . 1 . . . . . 65 ASN HB3 . 27051 1 696 . 1 1 67 67 ASN HD21 H 1 7.711 0.020 . 1 . . . . . 65 ASN HD21 . 27051 1 697 . 1 1 67 67 ASN HD22 H 1 6.926 0.020 . 1 . . . . . 65 ASN HD22 . 27051 1 698 . 1 1 67 67 ASN C C 13 178.409 0.3 . 1 . . . . . 65 ASN C . 27051 1 699 . 1 1 67 67 ASN CA C 13 57.212 0.3 . 1 . . . . . 65 ASN CA . 27051 1 700 . 1 1 67 67 ASN CB C 13 38.707 0.3 . 1 . . . . . 65 ASN CB . 27051 1 701 . 1 1 67 67 ASN N N 15 121.384 0.3 . 1 . . . . . 65 ASN N . 27051 1 702 . 1 1 67 67 ASN ND2 N 15 112.989 0.3 . 1 . . . . . 65 ASN ND2 . 27051 1 703 . 1 1 68 68 GLU H H 1 8.201 0.020 . 1 . . . . . 66 GLU H . 27051 1 704 . 1 1 68 68 GLU HA H 1 4.188 0.020 . 1 . . . . . 66 GLU HA . 27051 1 705 . 1 1 68 68 GLU HB2 H 1 2.234 0.020 . 1 . . . . . 66 GLU HB2 . 27051 1 706 . 1 1 68 68 GLU HB3 H 1 2.234 0.020 . 1 . . . . . 66 GLU HB3 . 27051 1 707 . 1 1 68 68 GLU HG2 H 1 2.281 0.020 . 1 . . . . . 66 GLU HG2 . 27051 1 708 . 1 1 68 68 GLU HG3 H 1 2.281 0.020 . 1 . . . . . 66 GLU HG3 . 27051 1 709 . 1 1 68 68 GLU C C 13 179.809 0.3 . 1 . . . . . 66 GLU C . 27051 1 710 . 1 1 68 68 GLU CA C 13 59.993 0.3 . 1 . . . . . 66 GLU CA . 27051 1 711 . 1 1 68 68 GLU CB C 13 30.553 0.3 . 1 . . . . . 66 GLU CB . 27051 1 712 . 1 1 68 68 GLU CG C 13 37.278 0.3 . 1 . . . . . 66 GLU CG . 27051 1 713 . 1 1 68 68 GLU N N 15 118.517 0.3 . 1 . . . . . 66 GLU N . 27051 1 714 . 1 1 69 69 SER H H 1 7.685 0.020 . 1 . . . . . 67 SER H . 27051 1 715 . 1 1 69 69 SER HA H 1 4.519 0.020 . 1 . . . . . 67 SER HA . 27051 1 716 . 1 1 69 69 SER HB2 H 1 3.708 0.020 . 1 . . . . . 67 SER HB2 . 27051 1 717 . 1 1 69 69 SER HB3 H 1 3.708 0.020 . 1 . . . . . 67 SER HB3 . 27051 1 718 . 1 1 69 69 SER CA C 13 62.952 0.3 . 1 . . . . . 67 SER CA . 27051 1 719 . 1 1 69 69 SER CB C 13 65.681 0.3 . 1 . . . . . 67 SER CB . 27051 1 720 . 1 1 69 69 SER N N 15 113.315 0.3 . 1 . . . . . 67 SER N . 27051 1 721 . 1 1 70 70 CYS H H 1 8.514 0.020 . 1 . . . . . 68 CYS H . 27051 1 722 . 1 1 70 70 CYS HA H 1 4.814 0.020 . 1 . . . . . 68 CYS HA . 27051 1 723 . 1 1 70 70 CYS HB2 H 1 2.531 0.020 . 1 . . . . . 68 CYS HB2 . 27051 1 724 . 1 1 70 70 CYS HB3 H 1 2.531 0.020 . 1 . . . . . 68 CYS HB3 . 27051 1 725 . 1 1 70 70 CYS C C 13 177.269 0.3 . 1 . . . . . 68 CYS C . 27051 1 726 . 1 1 70 70 CYS CA C 13 53.930 0.3 . 1 . . . . . 68 CYS CA . 27051 1 727 . 1 1 70 70 CYS CB C 13 41.854 0.3 . 1 . . . . . 68 CYS CB . 27051 1 728 . 1 1 70 70 CYS N N 15 113.799 0.3 . 1 . . . . . 68 CYS N . 27051 1 729 . 1 1 71 71 ASN H H 1 8.096 0.020 . 1 . . . . . 69 ASN H . 27051 1 730 . 1 1 71 71 ASN HA H 1 4.520 0.020 . 1 . . . . . 69 ASN HA . 27051 1 731 . 1 1 71 71 ASN HB2 H 1 3.170 0.020 . 2 . . . . . 69 ASN HB2 . 27051 1 732 . 1 1 71 71 ASN HB3 H 1 2.859 0.020 . 2 . . . . . 69 ASN HB3 . 27051 1 733 . 1 1 71 71 ASN HD21 H 1 7.332 0.020 . 1 . . . . . 69 ASN HD21 . 27051 1 734 . 1 1 71 71 ASN HD22 H 1 7.033 0.020 . 1 . . . . . 69 ASN HD22 . 27051 1 735 . 1 1 71 71 ASN C C 13 176.880 0.3 . 1 . . . . . 69 ASN C . 27051 1 736 . 1 1 71 71 ASN CA C 13 57.927 0.3 . 1 . . . . . 69 ASN CA . 27051 1 737 . 1 1 71 71 ASN CB C 13 39.852 0.3 . 1 . . . . . 69 ASN CB . 27051 1 738 . 1 1 71 71 ASN N N 15 122.690 0.3 . 1 . . . . . 69 ASN N . 27051 1 739 . 1 1 71 71 ASN ND2 N 15 110.595 0.3 . 1 . . . . . 69 ASN ND2 . 27051 1 740 . 1 1 72 72 ASP H H 1 8.437 0.020 . 1 . . . . . 70 ASP H . 27051 1 741 . 1 1 72 72 ASP HA H 1 4.946 0.020 . 1 . . . . . 70 ASP HA . 27051 1 742 . 1 1 72 72 ASP HB2 H 1 3.007 0.020 . 2 . . . . . 70 ASP HB2 . 27051 1 743 . 1 1 72 72 ASP HB3 H 1 2.696 0.020 . 2 . . . . . 70 ASP HB3 . 27051 1 744 . 1 1 72 72 ASP C C 13 175.177 0.3 . 1 . . . . . 70 ASP C . 27051 1 745 . 1 1 72 72 ASP CA C 13 53.802 0.3 . 1 . . . . . 70 ASP CA . 27051 1 746 . 1 1 72 72 ASP CB C 13 41.139 0.3 . 1 . . . . . 70 ASP CB . 27051 1 747 . 1 1 72 72 ASP N N 15 116.292 0.3 . 1 . . . . . 70 ASP N . 27051 1 748 . 1 1 73 73 ALA H H 1 7.172 0.020 . 1 . . . . . 71 ALA H . 27051 1 749 . 1 1 73 73 ALA HA H 1 4.004 0.020 . 1 . . . . . 71 ALA HA . 27051 1 750 . 1 1 73 73 ALA HB1 H 1 1.102 0.020 . 1 . . . . . 71 ALA HB . 27051 1 751 . 1 1 73 73 ALA HB2 H 1 1.102 0.020 . 1 . . . . . 71 ALA HB . 27051 1 752 . 1 1 73 73 ALA HB3 H 1 1.102 0.020 . 1 . . . . . 71 ALA HB . 27051 1 753 . 1 1 73 73 ALA C C 13 175.222 0.3 . 1 . . . . . 71 ALA C . 27051 1 754 . 1 1 73 73 ALA CA C 13 51.011 0.3 . 1 . . . . . 71 ALA CA . 27051 1 755 . 1 1 73 73 ALA CB C 13 18.822 0.3 . 1 . . . . . 71 ALA CB . 27051 1 756 . 1 1 73 73 ALA N N 15 119.551 0.3 . 1 . . . . . 71 ALA N . 27051 1 757 . 1 1 74 74 PRO HA H 1 3.593 0.020 . 1 . . . . . 72 PRO HA . 27051 1 758 . 1 1 74 74 PRO HB2 H 1 1.033 0.020 . 1 . . . . . 72 PRO HB2 . 27051 1 759 . 1 1 74 74 PRO HB3 H 1 1.033 0.020 . 1 . . . . . 72 PRO HB3 . 27051 1 760 . 1 1 74 74 PRO HG2 H 1 1.805 0.020 . 1 . . . . . 72 PRO HG2 . 27051 1 761 . 1 1 74 74 PRO HG3 H 1 1.805 0.020 . 1 . . . . . 72 PRO HG3 . 27051 1 762 . 1 1 74 74 PRO HD2 H 1 3.507 0.020 . 2 . . . . . 72 PRO HD2 . 27051 1 763 . 1 1 74 74 PRO HD3 H 1 3.215 0.020 . 2 . . . . . 72 PRO HD3 . 27051 1 764 . 1 1 74 74 PRO C C 13 174.989 0.3 . 1 . . . . . 72 PRO C . 27051 1 765 . 1 1 74 74 PRO CA C 13 64.426 0.3 . 1 . . . . . 72 PRO CA . 27051 1 766 . 1 1 74 74 PRO CB C 13 31.481 0.3 . 1 . . . . . 72 PRO CB . 27051 1 767 . 1 1 74 74 PRO CG C 13 29.279 0.3 . 1 . . . . . 72 PRO CG . 27051 1 768 . 1 1 74 74 PRO CD C 13 50.722 0.3 . 1 . . . . . 72 PRO CD . 27051 1 769 . 1 1 75 75 LYS H H 1 8.456 0.020 . 1 . . . . . 73 LYS H . 27051 1 770 . 1 1 75 75 LYS HA H 1 4.180 0.020 . 1 . . . . . 73 LYS HA . 27051 1 771 . 1 1 75 75 LYS HB2 H 1 1.723 0.020 . 1 . . . . . 73 LYS HB2 . 27051 1 772 . 1 1 75 75 LYS HB3 H 1 1.723 0.020 . 1 . . . . . 73 LYS HB3 . 27051 1 773 . 1 1 75 75 LYS HG2 H 1 1.330 0.020 . 1 . . . . . 73 LYS HG2 . 27051 1 774 . 1 1 75 75 LYS HG3 H 1 1.330 0.020 . 1 . . . . . 73 LYS HG3 . 27051 1 775 . 1 1 75 75 LYS HD2 H 1 1.659 0.020 . 1 . . . . . 73 LYS HD2 . 27051 1 776 . 1 1 75 75 LYS HD3 H 1 1.659 0.020 . 1 . . . . . 73 LYS HD3 . 27051 1 777 . 1 1 75 75 LYS HE2 H 1 2.993 0.020 . 1 . . . . . 73 LYS HE2 . 27051 1 778 . 1 1 75 75 LYS HE3 H 1 2.993 0.020 . 1 . . . . . 73 LYS HE3 . 27051 1 779 . 1 1 75 75 LYS C C 13 176.046 0.3 . 1 . . . . . 73 LYS C . 27051 1 780 . 1 1 75 75 LYS CA C 13 54.443 0.3 . 1 . . . . . 73 LYS CA . 27051 1 781 . 1 1 75 75 LYS CB C 13 33.992 0.3 . 1 . . . . . 73 LYS CB . 27051 1 782 . 1 1 75 75 LYS CG C 13 25.826 0.3 . 1 . . . . . 73 LYS CG . 27051 1 783 . 1 1 75 75 LYS CD C 13 30.351 0.3 . 1 . . . . . 73 LYS CD . 27051 1 784 . 1 1 75 75 LYS CE C 13 43.100 0.3 . 1 . . . . . 73 LYS CE . 27051 1 785 . 1 1 75 75 LYS N N 15 126.101 0.3 . 1 . . . . . 73 LYS N . 27051 1 786 . 1 1 76 76 PRO HA H 1 4.618 0.020 . 1 . . . . . 74 PRO HA . 27051 1 787 . 1 1 76 76 PRO HB2 H 1 2.370 0.020 . 1 . . . . . 74 PRO HB2 . 27051 1 788 . 1 1 76 76 PRO HB3 H 1 2.370 0.020 . 1 . . . . . 74 PRO HB3 . 27051 1 789 . 1 1 76 76 PRO HG2 H 1 2.098 0.020 . 1 . . . . . 74 PRO HG2 . 27051 1 790 . 1 1 76 76 PRO HG3 H 1 2.098 0.020 . 1 . . . . . 74 PRO HG3 . 27051 1 791 . 1 1 76 76 PRO HD2 H 1 3.861 0.020 . 2 . . . . . 74 PRO HD2 . 27051 1 792 . 1 1 76 76 PRO HD3 H 1 4.104 0.020 . 2 . . . . . 74 PRO HD3 . 27051 1 793 . 1 1 76 76 PRO CA C 13 64.079 0.3 . 1 . . . . . 74 PRO CA . 27051 1 794 . 1 1 76 76 PRO CB C 13 32.532 0.3 . 1 . . . . . 74 PRO CB . 27051 1 795 . 1 1 76 76 PRO CG C 13 28.419 0.3 . 1 . . . . . 74 PRO CG . 27051 1 796 . 1 1 76 76 PRO CD C 13 51.594 0.3 . 1 . . . . . 74 PRO CD . 27051 1 797 . 1 1 77 77 PRO HA H 1 4.323 0.020 . 1 . . . . . 75 PRO HA . 27051 1 798 . 1 1 77 77 PRO HB2 H 1 2.321 0.020 . 1 . . . . . 75 PRO HB2 . 27051 1 799 . 1 1 77 77 PRO HB3 H 1 2.321 0.020 . 1 . . . . . 75 PRO HB3 . 27051 1 800 . 1 1 77 77 PRO HG2 H 1 1.921 0.020 . 1 . . . . . 75 PRO HG2 . 27051 1 801 . 1 1 77 77 PRO HG3 H 1 1.921 0.020 . 1 . . . . . 75 PRO HG3 . 27051 1 802 . 1 1 77 77 PRO HD2 H 1 3.953 0.020 . 1 . . . . . 75 PRO HD2 . 27051 1 803 . 1 1 77 77 PRO HD3 H 1 3.953 0.020 . 1 . . . . . 75 PRO HD3 . 27051 1 804 . 1 1 77 77 PRO C C 13 176.003 0.3 . 1 . . . . . 75 PRO C . 27051 1 805 . 1 1 77 77 PRO CA C 13 64.837 0.3 . 1 . . . . . 75 PRO CA . 27051 1 806 . 1 1 77 77 PRO CB C 13 36.497 0.3 . 1 . . . . . 75 PRO CB . 27051 1 807 . 1 1 77 77 PRO CG C 13 25.246 0.3 . 1 . . . . . 75 PRO CG . 27051 1 808 . 1 1 77 77 PRO CD C 13 50.985 0.3 . 1 . . . . . 75 PRO CD . 27051 1 809 . 1 1 78 78 CYS H H 1 7.909 0.020 . 1 . . . . . 76 CYS H . 27051 1 810 . 1 1 78 78 CYS HA H 1 4.334 0.020 . 1 . . . . . 76 CYS HA . 27051 1 811 . 1 1 78 78 CYS HB2 H 1 2.884 0.020 . 1 . . . . . 76 CYS HB2 . 27051 1 812 . 1 1 78 78 CYS HB3 H 1 2.884 0.020 . 1 . . . . . 76 CYS HB3 . 27051 1 813 . 1 1 78 78 CYS C C 13 173.554 0.3 . 1 . . . . . 76 CYS C . 27051 1 814 . 1 1 78 78 CYS CA C 13 58.368 0.3 . 1 . . . . . 76 CYS CA . 27051 1 815 . 1 1 78 78 CYS CB C 13 39.715 0.3 . 1 . . . . . 76 CYS CB . 27051 1 816 . 1 1 78 78 CYS N N 15 124.217 0.3 . 1 . . . . . 76 CYS N . 27051 1 817 . 1 1 79 79 SER H H 1 7.170 0.020 . 1 . . . . . 77 SER H . 27051 1 818 . 1 1 79 79 SER HA H 1 3.992 0.020 . 1 . . . . . 77 SER HA . 27051 1 819 . 1 1 79 79 SER HB2 H 1 3.266 0.020 . 1 . . . . . 77 SER HB2 . 27051 1 820 . 1 1 79 79 SER HB3 H 1 3.266 0.020 . 1 . . . . . 77 SER HB3 . 27051 1 821 . 1 1 79 79 SER C C 13 175.823 0.3 . 1 . . . . . 77 SER C . 27051 1 822 . 1 1 79 79 SER CA C 13 60.604 0.3 . 1 . . . . . 77 SER CA . 27051 1 823 . 1 1 79 79 SER CB C 13 63.833 0.3 . 1 . . . . . 77 SER CB . 27051 1 824 . 1 1 79 79 SER N N 15 103.949 0.3 . 1 . . . . . 77 SER N . 27051 1 825 . 1 1 80 80 LEU H H 1 7.629 0.020 . 1 . . . . . 78 LEU H . 27051 1 826 . 1 1 80 80 LEU HA H 1 4.349 0.020 . 1 . . . . . 78 LEU HA . 27051 1 827 . 1 1 80 80 LEU HB2 H 1 2.007 0.020 . 1 . . . . . 78 LEU HB2 . 27051 1 828 . 1 1 80 80 LEU HB3 H 1 2.007 0.020 . 1 . . . . . 78 LEU HB3 . 27051 1 829 . 1 1 80 80 LEU HG H 1 1.664 0.020 . 1 . . . . . 78 LEU HG . 27051 1 830 . 1 1 80 80 LEU HD11 H 1 1.032 0.020 . 2 . . . . . 78 LEU HD1 . 27051 1 831 . 1 1 80 80 LEU HD12 H 1 1.032 0.020 . 2 . . . . . 78 LEU HD1 . 27051 1 832 . 1 1 80 80 LEU HD13 H 1 1.032 0.020 . 2 . . . . . 78 LEU HD1 . 27051 1 833 . 1 1 80 80 LEU HD21 H 1 1.128 0.020 . 2 . . . . . 78 LEU HD2 . 27051 1 834 . 1 1 80 80 LEU HD22 H 1 1.128 0.020 . 2 . . . . . 78 LEU HD2 . 27051 1 835 . 1 1 80 80 LEU HD23 H 1 1.128 0.020 . 2 . . . . . 78 LEU HD2 . 27051 1 836 . 1 1 80 80 LEU C C 13 178.641 0.3 . 1 . . . . . 78 LEU C . 27051 1 837 . 1 1 80 80 LEU CA C 13 56.012 0.3 . 1 . . . . . 78 LEU CA . 27051 1 838 . 1 1 80 80 LEU CB C 13 41.243 0.3 . 1 . . . . . 78 LEU CB . 27051 1 839 . 1 1 80 80 LEU CG C 13 28.001 0.3 . 1 . . . . . 78 LEU CG . 27051 1 840 . 1 1 80 80 LEU CD1 C 13 25.260 0.3 . 1 . . . . . 78 LEU CD1 . 27051 1 841 . 1 1 80 80 LEU CD2 C 13 25.258 0.3 . 1 . . . . . 78 LEU CD2 . 27051 1 842 . 1 1 80 80 LEU N N 15 123.352 0.3 . 1 . . . . . 78 LEU N . 27051 1 843 . 1 1 81 81 GLU H H 1 9.438 0.020 . 1 . . . . . 79 GLU H . 27051 1 844 . 1 1 81 81 GLU HA H 1 4.537 0.020 . 1 . . . . . 79 GLU HA . 27051 1 845 . 1 1 81 81 GLU HB2 H 1 2.011 0.020 . 1 . . . . . 79 GLU HB2 . 27051 1 846 . 1 1 81 81 GLU HB3 H 1 2.011 0.020 . 1 . . . . . 79 GLU HB3 . 27051 1 847 . 1 1 81 81 GLU HG2 H 1 2.188 0.020 . 2 . . . . . 79 GLU HG2 . 27051 1 848 . 1 1 81 81 GLU HG3 H 1 2.090 0.020 . 2 . . . . . 79 GLU HG3 . 27051 1 849 . 1 1 81 81 GLU C C 13 176.296 0.3 . 1 . . . . . 79 GLU C . 27051 1 850 . 1 1 81 81 GLU CA C 13 57.690 0.3 . 1 . . . . . 79 GLU CA . 27051 1 851 . 1 1 81 81 GLU CB C 13 34.094 0.3 . 1 . . . . . 79 GLU CB . 27051 1 852 . 1 1 81 81 GLU CG C 13 36.412 0.3 . 1 . . . . . 79 GLU CG . 27051 1 853 . 1 1 81 81 GLU N N 15 123.937 0.3 . 1 . . . . . 79 GLU N . 27051 1 854 . 1 1 82 82 VAL H H 1 8.248 0.020 . 1 . . . . . 80 VAL H . 27051 1 855 . 1 1 82 82 VAL HA H 1 3.754 0.020 . 1 . . . . . 80 VAL HA . 27051 1 856 . 1 1 82 82 VAL HB H 1 1.771 0.020 . 1 . . . . . 80 VAL HB . 27051 1 857 . 1 1 82 82 VAL HG11 H 1 -0.964 0.020 . 2 . . . . . 80 VAL HG1 . 27051 1 858 . 1 1 82 82 VAL HG12 H 1 -0.964 0.020 . 2 . . . . . 80 VAL HG1 . 27051 1 859 . 1 1 82 82 VAL HG13 H 1 -0.964 0.020 . 2 . . . . . 80 VAL HG1 . 27051 1 860 . 1 1 82 82 VAL HG21 H 1 0.139 0.020 . 2 . . . . . 80 VAL HG2 . 27051 1 861 . 1 1 82 82 VAL HG22 H 1 0.139 0.020 . 2 . . . . . 80 VAL HG2 . 27051 1 862 . 1 1 82 82 VAL HG23 H 1 0.139 0.020 . 2 . . . . . 80 VAL HG2 . 27051 1 863 . 1 1 82 82 VAL C C 13 175.930 0.3 . 1 . . . . . 80 VAL C . 27051 1 864 . 1 1 82 82 VAL CA C 13 62.318 0.3 . 1 . . . . . 80 VAL CA . 27051 1 865 . 1 1 82 82 VAL CB C 13 32.023 0.3 . 1 . . . . . 80 VAL CB . 27051 1 866 . 1 1 82 82 VAL CG1 C 13 21.564 0.3 . 1 . . . . . 80 VAL CG1 . 27051 1 867 . 1 1 82 82 VAL CG2 C 13 19.275 0.3 . 1 . . . . . 80 VAL CG2 . 27051 1 868 . 1 1 82 82 VAL N N 15 121.113 0.3 . 1 . . . . . 80 VAL N . 27051 1 869 . 1 1 83 83 ASP H H 1 7.791 0.020 . 1 . . . . . 81 ASP H . 27051 1 870 . 1 1 83 83 ASP HA H 1 4.822 0.020 . 1 . . . . . 81 ASP HA . 27051 1 871 . 1 1 83 83 ASP HB2 H 1 2.796 0.020 . 1 . . . . . 81 ASP HB2 . 27051 1 872 . 1 1 83 83 ASP HB3 H 1 2.796 0.020 . 1 . . . . . 81 ASP HB3 . 27051 1 873 . 1 1 83 83 ASP C C 13 176.872 0.3 . 1 . . . . . 81 ASP C . 27051 1 874 . 1 1 83 83 ASP CA C 13 52.750 0.3 . 1 . . . . . 81 ASP CA . 27051 1 875 . 1 1 83 83 ASP CB C 13 42.766 0.3 . 1 . . . . . 81 ASP CB . 27051 1 876 . 1 1 83 83 ASP N N 15 125.666 0.3 . 1 . . . . . 81 ASP N . 27051 1 877 . 1 1 84 84 TYR HA H 1 4.550 0.020 . 1 . . . . . 82 TYR HA . 27051 1 878 . 1 1 84 84 TYR HB2 H 1 3.672 0.020 . 2 . . . . . 82 TYR HB2 . 27051 1 879 . 1 1 84 84 TYR HB3 H 1 3.051 0.020 . 2 . . . . . 82 TYR HB3 . 27051 1 880 . 1 1 84 84 TYR HD1 H 1 7.300 0.020 . 1 . . . . . 82 TYR HD1 . 27051 1 881 . 1 1 84 84 TYR HD2 H 1 7.300 0.020 . 1 . . . . . 82 TYR HD2 . 27051 1 882 . 1 1 84 84 TYR C C 13 177.436 0.3 . 1 . . . . . 82 TYR C . 27051 1 883 . 1 1 84 84 TYR CA C 13 61.761 0.3 . 1 . . . . . 82 TYR CA . 27051 1 884 . 1 1 84 84 TYR CB C 13 39.473 0.3 . 1 . . . . . 82 TYR CB . 27051 1 885 . 1 1 85 85 GLY H H 1 8.960 0.020 . 1 . . . . . 83 GLY H . 27051 1 886 . 1 1 85 85 GLY HA2 H 1 4.283 0.020 . 1 . . . . . 83 GLY HA2 . 27051 1 887 . 1 1 85 85 GLY HA3 H 1 4.283 0.020 . 1 . . . . . 83 GLY HA3 . 27051 1 888 . 1 1 85 85 GLY C C 13 175.017 0.3 . 1 . . . . . 83 GLY C . 27051 1 889 . 1 1 85 85 GLY CA C 13 45.481 0.3 . 1 . . . . . 83 GLY CA . 27051 1 890 . 1 1 85 85 GLY N N 15 106.559 0.3 . 1 . . . . . 83 GLY N . 27051 1 891 . 1 1 86 86 VAL HA H 1 4.255 0.020 . 1 . . . . . 84 VAL HA . 27051 1 892 . 1 1 86 86 VAL HB H 1 1.724 0.020 . 1 . . . . . 84 VAL HB . 27051 1 893 . 1 1 86 86 VAL HG11 H 1 0.914 0.020 . 2 . . . . . 84 VAL HG1 . 27051 1 894 . 1 1 86 86 VAL HG12 H 1 0.914 0.020 . 2 . . . . . 84 VAL HG1 . 27051 1 895 . 1 1 86 86 VAL HG13 H 1 0.914 0.020 . 2 . . . . . 84 VAL HG1 . 27051 1 896 . 1 1 86 86 VAL HG21 H 1 0.937 0.020 . 2 . . . . . 84 VAL HG2 . 27051 1 897 . 1 1 86 86 VAL HG22 H 1 0.937 0.020 . 2 . . . . . 84 VAL HG2 . 27051 1 898 . 1 1 86 86 VAL HG23 H 1 0.937 0.020 . 2 . . . . . 84 VAL HG2 . 27051 1 899 . 1 1 86 86 VAL C C 13 178.777 0.3 . 1 . . . . . 84 VAL C . 27051 1 900 . 1 1 86 86 VAL CA C 13 56.708 0.3 . 1 . . . . . 84 VAL CA . 27051 1 901 . 1 1 86 86 VAL CB C 13 43.054 0.3 . 1 . . . . . 84 VAL CB . 27051 1 902 . 1 1 86 86 VAL CG1 C 13 25.363 0.3 . 1 . . . . . 84 VAL CG1 . 27051 1 903 . 1 1 86 86 VAL CG2 C 13 25.065 0.3 . 1 . . . . . 84 VAL CG2 . 27051 1 904 . 1 1 87 87 GLY H H 1 8.556 0.020 . 1 . . . . . 85 GLY H . 27051 1 905 . 1 1 87 87 GLY HA2 H 1 4.061 0.020 . 1 . . . . . 85 GLY HA2 . 27051 1 906 . 1 1 87 87 GLY HA3 H 1 4.061 0.020 . 1 . . . . . 85 GLY HA3 . 27051 1 907 . 1 1 87 87 GLY C C 13 175.128 0.3 . 1 . . . . . 85 GLY C . 27051 1 908 . 1 1 87 87 GLY CA C 13 46.234 0.3 . 1 . . . . . 85 GLY CA . 27051 1 909 . 1 1 87 87 GLY N N 15 109.398 0.3 . 1 . . . . . 85 GLY N . 27051 1 910 . 1 1 88 88 ARG HA H 1 4.362 0.020 . 1 . . . . . 86 ARG HA . 27051 1 911 . 1 1 88 88 ARG HB2 H 1 2.196 0.020 . 1 . . . . . 86 ARG HB2 . 27051 1 912 . 1 1 88 88 ARG HB3 H 1 2.196 0.020 . 1 . . . . . 86 ARG HB3 . 27051 1 913 . 1 1 88 88 ARG HG2 H 1 1.698 0.020 . 1 . . . . . 86 ARG HG2 . 27051 1 914 . 1 1 88 88 ARG HG3 H 1 1.698 0.020 . 1 . . . . . 86 ARG HG3 . 27051 1 915 . 1 1 88 88 ARG C C 13 177.437 0.3 . 1 . . . . . 86 ARG C . 27051 1 916 . 1 1 88 88 ARG CA C 13 57.112 0.3 . 1 . . . . . 86 ARG CA . 27051 1 917 . 1 1 88 88 ARG CB C 13 31.336 0.3 . 1 . . . . . 86 ARG CB . 27051 1 918 . 1 1 88 88 ARG CG C 13 27.836 0.3 . 1 . . . . . 86 ARG CG . 27051 1 919 . 1 1 88 88 ARG CD C 13 44.016 0.3 . 1 . . . . . 86 ARG CD . 27051 1 920 . 1 1 89 89 ALA H H 1 8.369 0.020 . 1 . . . . . 87 ALA H . 27051 1 921 . 1 1 89 89 ALA HA H 1 4.189 0.020 . 1 . . . . . 87 ALA HA . 27051 1 922 . 1 1 89 89 ALA HB1 H 1 1.317 0.020 . 1 . . . . . 87 ALA HB . 27051 1 923 . 1 1 89 89 ALA HB2 H 1 1.317 0.020 . 1 . . . . . 87 ALA HB . 27051 1 924 . 1 1 89 89 ALA HB3 H 1 1.317 0.020 . 1 . . . . . 87 ALA HB . 27051 1 925 . 1 1 89 89 ALA C C 13 176.935 0.3 . 1 . . . . . 87 ALA C . 27051 1 926 . 1 1 89 89 ALA CA C 13 54.205 0.3 . 1 . . . . . 87 ALA CA . 27051 1 927 . 1 1 89 89 ALA CB C 13 20.022 0.3 . 1 . . . . . 87 ALA CB . 27051 1 928 . 1 1 89 89 ALA N N 15 122.086 0.3 . 1 . . . . . 87 ALA N . 27051 1 929 . 1 1 90 90 ASN H H 1 8.244 0.020 . 1 . . . . . 88 ASN H . 27051 1 930 . 1 1 90 90 ASN HA H 1 4.767 0.020 . 1 . . . . . 88 ASN HA . 27051 1 931 . 1 1 90 90 ASN HB2 H 1 2.736 0.020 . 1 . . . . . 88 ASN HB2 . 27051 1 932 . 1 1 90 90 ASN HB3 H 1 2.736 0.020 . 1 . . . . . 88 ASN HB3 . 27051 1 933 . 1 1 90 90 ASN C C 13 174.795 0.3 . 1 . . . . . 88 ASN C . 27051 1 934 . 1 1 90 90 ASN CA C 13 53.930 0.3 . 1 . . . . . 88 ASN CA . 27051 1 935 . 1 1 90 90 ASN CB C 13 38.270 0.3 . 1 . . . . . 88 ASN CB . 27051 1 936 . 1 1 90 90 ASN N N 15 115.795 0.3 . 1 . . . . . 88 ASN N . 27051 1 937 . 1 1 92 92 PRO HA H 1 4.775 0.020 . 1 . . . . . 90 PRO HA . 27051 1 938 . 1 1 92 92 PRO HB2 H 1 2.289 0.020 . 2 . . . . . 90 PRO HB2 . 27051 1 939 . 1 1 92 92 PRO HB3 H 1 2.072 0.020 . 2 . . . . . 90 PRO HB3 . 27051 1 940 . 1 1 92 92 PRO HG2 H 1 2.098 0.020 . 1 . . . . . 90 PRO HG2 . 27051 1 941 . 1 1 92 92 PRO HG3 H 1 2.098 0.020 . 1 . . . . . 90 PRO HG3 . 27051 1 942 . 1 1 92 92 PRO HD2 H 1 3.678 0.020 . 1 . . . . . 90 PRO HD2 . 27051 1 943 . 1 1 92 92 PRO HD3 H 1 3.678 0.020 . 1 . . . . . 90 PRO HD3 . 27051 1 944 . 1 1 92 92 PRO C C 13 177.954 0.3 . 1 . . . . . 90 PRO C . 27051 1 945 . 1 1 92 92 PRO CA C 13 63.976 0.3 . 1 . . . . . 90 PRO CA . 27051 1 946 . 1 1 92 92 PRO CB C 13 32.341 0.3 . 1 . . . . . 90 PRO CB . 27051 1 947 . 1 1 92 92 PRO CG C 13 28.273 0.3 . 1 . . . . . 90 PRO CG . 27051 1 948 . 1 1 92 92 PRO CD C 13 50.890 0.3 . 1 . . . . . 90 PRO CD . 27051 1 949 . 1 1 93 93 ARG H H 1 8.783 0.020 . 1 . . . . . 91 ARG H . 27051 1 950 . 1 1 93 93 ARG HA H 1 4.852 0.020 . 1 . . . . . 91 ARG HA . 27051 1 951 . 1 1 93 93 ARG HB2 H 1 1.892 0.020 . 1 . . . . . 91 ARG HB2 . 27051 1 952 . 1 1 93 93 ARG HB3 H 1 1.892 0.020 . 1 . . . . . 91 ARG HB3 . 27051 1 953 . 1 1 93 93 ARG HG2 H 1 0.803 0.020 . 1 . . . . . 91 ARG HG2 . 27051 1 954 . 1 1 93 93 ARG HG3 H 1 0.803 0.020 . 1 . . . . . 91 ARG HG3 . 27051 1 955 . 1 1 93 93 ARG C C 13 173.975 0.3 . 1 . . . . . 91 ARG C . 27051 1 956 . 1 1 93 93 ARG CA C 13 53.305 0.3 . 1 . . . . . 91 ARG CA . 27051 1 957 . 1 1 93 93 ARG CB C 13 36.592 0.3 . 1 . . . . . 91 ARG CB . 27051 1 958 . 1 1 93 93 ARG CG C 13 25.224 0.3 . 1 . . . . . 91 ARG CG . 27051 1 959 . 1 1 93 93 ARG N N 15 127.858 0.3 . 1 . . . . . 91 ARG N . 27051 1 960 . 1 1 94 94 TRP H H 1 9.195 0.020 . 1 . . . . . 92 TRP H . 27051 1 961 . 1 1 94 94 TRP HA H 1 5.860 0.020 . 1 . . . . . 92 TRP HA . 27051 1 962 . 1 1 94 94 TRP HB2 H 1 2.979 0.020 . 1 . . . . . 92 TRP HB2 . 27051 1 963 . 1 1 94 94 TRP HB3 H 1 2.979 0.020 . 1 . . . . . 92 TRP HB3 . 27051 1 964 . 1 1 94 94 TRP HD1 H 1 7.197 0.020 . 1 . . . . . 92 TRP HD1 . 27051 1 965 . 1 1 94 94 TRP HE1 H 1 10.562 0.020 . 1 . . . . . 92 TRP HE1 . 27051 1 966 . 1 1 94 94 TRP C C 13 175.818 0.3 . 1 . . . . . 92 TRP C . 27051 1 967 . 1 1 94 94 TRP CA C 13 57.112 0.3 . 1 . . . . . 92 TRP CA . 27051 1 968 . 1 1 94 94 TRP CB C 13 32.528 0.3 . 1 . . . . . 92 TRP CB . 27051 1 969 . 1 1 94 94 TRP N N 15 118.503 0.3 . 1 . . . . . 92 TRP N . 27051 1 970 . 1 1 94 94 TRP NE1 N 15 130.595 0.3 . 1 . . . . . 92 TRP NE1 . 27051 1 971 . 1 1 95 95 TYR H H 1 10.320 0.020 . 1 . . . . . 93 TYR H . 27051 1 972 . 1 1 95 95 TYR HA H 1 5.349 0.020 . 1 . . . . . 93 TYR HA . 27051 1 973 . 1 1 95 95 TYR HB2 H 1 2.766 0.020 . 1 . . . . . 93 TYR HB2 . 27051 1 974 . 1 1 95 95 TYR HB3 H 1 2.766 0.020 . 1 . . . . . 93 TYR HB3 . 27051 1 975 . 1 1 95 95 TYR HD1 H 1 7.037 0.020 . 1 . . . . . 93 TYR HD1 . 27051 1 976 . 1 1 95 95 TYR HD2 H 1 7.037 0.020 . 1 . . . . . 93 TYR HD2 . 27051 1 977 . 1 1 95 95 TYR C C 13 173.110 0.3 . 1 . . . . . 93 TYR C . 27051 1 978 . 1 1 95 95 TYR CA C 13 55.971 0.3 . 1 . . . . . 93 TYR CA . 27051 1 979 . 1 1 95 95 TYR CB C 13 42.367 0.3 . 1 . . . . . 93 TYR CB . 27051 1 980 . 1 1 95 95 TYR N N 15 122.008 0.3 . 1 . . . . . 93 TYR N . 27051 1 981 . 1 1 96 96 TYR H H 1 10.738 0.020 . 1 . . . . . 94 TYR H . 27051 1 982 . 1 1 96 96 TYR HA H 1 4.508 0.020 . 1 . . . . . 94 TYR HA . 27051 1 983 . 1 1 96 96 TYR HB2 H 1 3.000 0.020 . 2 . . . . . 94 TYR HB2 . 27051 1 984 . 1 1 96 96 TYR HB3 H 1 3.555 0.020 . 2 . . . . . 94 TYR HB3 . 27051 1 985 . 1 1 96 96 TYR HD1 H 1 7.221 0.020 . 1 . . . . . 94 TYR HD1 . 27051 1 986 . 1 1 96 96 TYR HD2 H 1 7.221 0.020 . 1 . . . . . 94 TYR HD2 . 27051 1 987 . 1 1 96 96 TYR C C 13 174.430 0.3 . 1 . . . . . 94 TYR C . 27051 1 988 . 1 1 96 96 TYR CA C 13 60.245 0.3 . 1 . . . . . 94 TYR CA . 27051 1 989 . 1 1 96 96 TYR CB C 13 40.492 0.3 . 1 . . . . . 94 TYR CB . 27051 1 990 . 1 1 96 96 TYR N N 15 124.442 0.3 . 1 . . . . . 94 TYR N . 27051 1 991 . 1 1 97 97 ASP H H 1 8.299 0.020 . 1 . . . . . 95 ASP H . 27051 1 992 . 1 1 97 97 ASP HA H 1 4.622 0.020 . 1 . . . . . 95 ASP HA . 27051 1 993 . 1 1 97 97 ASP HB2 H 1 3.238 0.020 . 1 . . . . . 95 ASP HB2 . 27051 1 994 . 1 1 97 97 ASP HB3 H 1 3.238 0.020 . 1 . . . . . 95 ASP HB3 . 27051 1 995 . 1 1 97 97 ASP C C 13 177.462 0.3 . 1 . . . . . 95 ASP C . 27051 1 996 . 1 1 97 97 ASP CA C 13 53.307 0.3 . 1 . . . . . 95 ASP CA . 27051 1 997 . 1 1 97 97 ASP CB C 13 41.517 0.3 . 1 . . . . . 95 ASP CB . 27051 1 998 . 1 1 97 97 ASP N N 15 128.392 0.3 . 1 . . . . . 95 ASP N . 27051 1 999 . 1 1 98 98 THR H H 1 8.216 0.020 . 1 . . . . . 96 THR H . 27051 1 1000 . 1 1 98 98 THR HA H 1 4.468 0.020 . 1 . . . . . 96 THR HA . 27051 1 1001 . 1 1 98 98 THR HB H 1 3.768 0.020 . 1 . . . . . 96 THR HB . 27051 1 1002 . 1 1 98 98 THR HG21 H 1 1.360 0.020 . 1 . . . . . 96 THR HG2 . 27051 1 1003 . 1 1 98 98 THR HG22 H 1 1.360 0.020 . 1 . . . . . 96 THR HG2 . 27051 1 1004 . 1 1 98 98 THR HG23 H 1 1.360 0.020 . 1 . . . . . 96 THR HG2 . 27051 1 1005 . 1 1 98 98 THR C C 13 176.310 0.3 . 1 . . . . . 96 THR C . 27051 1 1006 . 1 1 98 98 THR CA C 13 65.803 0.3 . 1 . . . . . 96 THR CA . 27051 1 1007 . 1 1 98 98 THR CB C 13 69.231 0.3 . 1 . . . . . 96 THR CB . 27051 1 1008 . 1 1 98 98 THR CG2 C 13 23.954 0.3 . 1 . . . . . 96 THR CG2 . 27051 1 1009 . 1 1 98 98 THR N N 15 116.686 0.3 . 1 . . . . . 96 THR N . 27051 1 1010 . 1 1 99 99 ASN H H 1 8.429 0.020 . 1 . . . . . 97 ASN H . 27051 1 1011 . 1 1 99 99 ASN HA H 1 4.662 0.020 . 1 . . . . . 97 ASN HA . 27051 1 1012 . 1 1 99 99 ASN HB2 H 1 3.099 0.020 . 2 . . . . . 97 ASN HB2 . 27051 1 1013 . 1 1 99 99 ASN HB3 H 1 2.818 0.020 . 2 . . . . . 97 ASN HB3 . 27051 1 1014 . 1 1 99 99 ASN HD21 H 1 8.032 0.020 . 1 . . . . . 97 ASN HD21 . 27051 1 1015 . 1 1 99 99 ASN HD22 H 1 7.082 0.020 . 1 . . . . . 97 ASN HD22 . 27051 1 1016 . 1 1 99 99 ASN C C 13 176.624 0.3 . 1 . . . . . 97 ASN C . 27051 1 1017 . 1 1 99 99 ASN CA C 13 56.406 0.3 . 1 . . . . . 97 ASN CA . 27051 1 1018 . 1 1 99 99 ASN CB C 13 38.991 0.3 . 1 . . . . . 97 ASN CB . 27051 1 1019 . 1 1 99 99 ASN N N 15 117.639 0.3 . 1 . . . . . 97 ASN N . 27051 1 1020 . 1 1 99 99 ASN ND2 N 15 114.702 0.3 . 1 . . . . . 97 ASN ND2 . 27051 1 1021 . 1 1 100 100 ASN H H 1 7.236 0.020 . 1 . . . . . 98 ASN H . 27051 1 1022 . 1 1 100 100 ASN HA H 1 4.949 0.020 . 1 . . . . . 98 ASN HA . 27051 1 1023 . 1 1 100 100 ASN HB2 H 1 2.650 0.020 . 2 . . . . . 98 ASN HB2 . 27051 1 1024 . 1 1 100 100 ASN HB3 H 1 2.796 0.020 . 2 . . . . . 98 ASN HB3 . 27051 1 1025 . 1 1 100 100 ASN HD21 H 1 7.655 0.020 . 1 . . . . . 98 ASN HD21 . 27051 1 1026 . 1 1 100 100 ASN HD22 H 1 6.965 0.020 . 1 . . . . . 98 ASN HD22 . 27051 1 1027 . 1 1 100 100 ASN C C 13 175.087 0.3 . 1 . . . . . 98 ASN C . 27051 1 1028 . 1 1 100 100 ASN CA C 13 53.101 0.3 . 1 . . . . . 98 ASN CA . 27051 1 1029 . 1 1 100 100 ASN CB C 13 40.580 0.3 . 1 . . . . . 98 ASN CB . 27051 1 1030 . 1 1 100 100 ASN N N 15 112.306 0.3 . 1 . . . . . 98 ASN N . 27051 1 1031 . 1 1 100 100 ASN ND2 N 15 112.290 0.3 . 1 . . . . . 98 ASN ND2 . 27051 1 1032 . 1 1 101 101 ALA H H 1 8.270 0.020 . 1 . . . . . 99 ALA H . 27051 1 1033 . 1 1 101 101 ALA HA H 1 3.849 0.020 . 1 . . . . . 99 ALA HA . 27051 1 1034 . 1 1 101 101 ALA HB1 H 1 1.690 0.020 . 1 . . . . . 99 ALA HB . 27051 1 1035 . 1 1 101 101 ALA HB2 H 1 1.690 0.020 . 1 . . . . . 99 ALA HB . 27051 1 1036 . 1 1 101 101 ALA HB3 H 1 1.690 0.020 . 1 . . . . . 99 ALA HB . 27051 1 1037 . 1 1 101 101 ALA C C 13 175.962 0.3 . 1 . . . . . 99 ALA C . 27051 1 1038 . 1 1 101 101 ALA CA C 13 54.019 0.3 . 1 . . . . . 99 ALA CA . 27051 1 1039 . 1 1 101 101 ALA CB C 13 18.026 0.3 . 1 . . . . . 99 ALA CB . 27051 1 1040 . 1 1 101 101 ALA N N 15 124.221 0.3 . 1 . . . . . 99 ALA N . 27051 1 1041 . 1 1 102 102 THR H H 1 7.239 0.020 . 1 . . . . . 100 THR H . 27051 1 1042 . 1 1 102 102 THR HA H 1 4.737 0.020 . 1 . . . . . 100 THR HA . 27051 1 1043 . 1 1 102 102 THR HB H 1 4.027 0.020 . 1 . . . . . 100 THR HB . 27051 1 1044 . 1 1 102 102 THR HG21 H 1 1.256 0.020 . 1 . . . . . 100 THR HG2 . 27051 1 1045 . 1 1 102 102 THR HG22 H 1 1.256 0.020 . 1 . . . . . 100 THR HG2 . 27051 1 1046 . 1 1 102 102 THR HG23 H 1 1.256 0.020 . 1 . . . . . 100 THR HG2 . 27051 1 1047 . 1 1 102 102 THR C C 13 173.655 0.3 . 1 . . . . . 100 THR C . 27051 1 1048 . 1 1 102 102 THR CA C 13 61.770 0.3 . 1 . . . . . 100 THR CA . 27051 1 1049 . 1 1 102 102 THR CB C 13 72.669 0.3 . 1 . . . . . 100 THR CB . 27051 1 1050 . 1 1 102 102 THR CG2 C 13 21.689 0.3 . 1 . . . . . 100 THR CG2 . 27051 1 1051 . 1 1 102 102 THR N N 15 109.183 0.3 . 1 . . . . . 100 THR N . 27051 1 1052 . 1 1 103 103 CYS HA H 1 4.941 0.020 . 1 . . . . . 101 CYS HA . 27051 1 1053 . 1 1 103 103 CYS HB2 H 1 3.332 0.020 . 2 . . . . . 101 CYS HB2 . 27051 1 1054 . 1 1 103 103 CYS HB3 H 1 3.143 0.020 . 2 . . . . . 101 CYS HB3 . 27051 1 1055 . 1 1 103 103 CYS C C 13 176.044 0.3 . 1 . . . . . 101 CYS C . 27051 1 1056 . 1 1 103 103 CYS CA C 13 52.479 0.3 . 1 . . . . . 101 CYS CA . 27051 1 1057 . 1 1 103 103 CYS CB C 13 40.994 0.3 . 1 . . . . . 101 CYS CB . 27051 1 1058 . 1 1 104 104 GLU H H 1 7.935 0.020 . 1 . . . . . 102 GLU H . 27051 1 1059 . 1 1 104 104 GLU HA H 1 4.250 0.020 . 1 . . . . . 102 GLU HA . 27051 1 1060 . 1 1 104 104 GLU HB2 H 1 2.084 0.020 . 1 . . . . . 102 GLU HB2 . 27051 1 1061 . 1 1 104 104 GLU HB3 H 1 2.084 0.020 . 1 . . . . . 102 GLU HB3 . 27051 1 1062 . 1 1 104 104 GLU HG2 H 1 2.222 0.020 . 1 . . . . . 102 GLU HG2 . 27051 1 1063 . 1 1 104 104 GLU HG3 H 1 2.222 0.020 . 1 . . . . . 102 GLU HG3 . 27051 1 1064 . 1 1 104 104 GLU C C 13 178.072 0.3 . 1 . . . . . 102 GLU C . 27051 1 1065 . 1 1 104 104 GLU CA C 13 57.939 0.3 . 1 . . . . . 102 GLU CA . 27051 1 1066 . 1 1 104 104 GLU CB C 13 32.939 0.3 . 1 . . . . . 102 GLU CB . 27051 1 1067 . 1 1 104 104 GLU CG C 13 36.980 0.3 . 1 . . . . . 102 GLU CG . 27051 1 1068 . 1 1 104 104 GLU N N 15 112.145 0.3 . 1 . . . . . 102 GLU N . 27051 1 1069 . 1 1 105 105 MET H H 1 8.419 0.020 . 1 . . . . . 103 MET H . 27051 1 1070 . 1 1 105 105 MET HA H 1 4.418 0.020 . 1 . . . . . 103 MET HA . 27051 1 1071 . 1 1 105 105 MET HB2 H 1 1.554 0.020 . 1 . . . . . 103 MET HB2 . 27051 1 1072 . 1 1 105 105 MET HB3 H 1 1.554 0.020 . 1 . . . . . 103 MET HB3 . 27051 1 1073 . 1 1 105 105 MET HG2 H 1 1.930 0.020 . 1 . . . . . 103 MET HG2 . 27051 1 1074 . 1 1 105 105 MET HG3 H 1 1.930 0.020 . 1 . . . . . 103 MET HG3 . 27051 1 1075 . 1 1 105 105 MET HE1 H 1 0.997 0.020 . 1 . . . . . 103 MET HE . 27051 1 1076 . 1 1 105 105 MET HE2 H 1 0.997 0.020 . 1 . . . . . 103 MET HE . 27051 1 1077 . 1 1 105 105 MET HE3 H 1 0.997 0.020 . 1 . . . . . 103 MET HE . 27051 1 1078 . 1 1 105 105 MET C C 13 176.914 0.3 . 1 . . . . . 103 MET C . 27051 1 1079 . 1 1 105 105 MET CA C 13 56.633 0.3 . 1 . . . . . 103 MET CA . 27051 1 1080 . 1 1 105 105 MET CB C 13 34.951 0.3 . 1 . . . . . 103 MET CB . 27051 1 1081 . 1 1 105 105 MET CG C 13 32.337 0.3 . 1 . . . . . 103 MET CG . 27051 1 1082 . 1 1 105 105 MET CE C 13 21.510 0.3 . 1 . . . . . 103 MET CE . 27051 1 1083 . 1 1 105 105 MET N N 15 121.877 0.3 . 1 . . . . . 103 MET N . 27051 1 1084 . 1 1 106 106 PHE H H 1 9.599 0.020 . 1 . . . . . 104 PHE H . 27051 1 1085 . 1 1 106 106 PHE HA H 1 5.043 0.020 . 1 . . . . . 104 PHE HA . 27051 1 1086 . 1 1 106 106 PHE HB2 H 1 3.156 0.020 . 1 . . . . . 104 PHE HB2 . 27051 1 1087 . 1 1 106 106 PHE HB3 H 1 3.156 0.020 . 1 . . . . . 104 PHE HB3 . 27051 1 1088 . 1 1 106 106 PHE HD1 H 1 7.098 0.020 . 1 . . . . . 104 PHE HD1 . 27051 1 1089 . 1 1 106 106 PHE HD2 H 1 7.098 0.020 . 1 . . . . . 104 PHE HD2 . 27051 1 1090 . 1 1 106 106 PHE C C 13 172.876 0.3 . 1 . . . . . 104 PHE C . 27051 1 1091 . 1 1 106 106 PHE CA C 13 56.231 0.3 . 1 . . . . . 104 PHE CA . 27051 1 1092 . 1 1 106 106 PHE CB C 13 42.467 0.3 . 1 . . . . . 104 PHE CB . 27051 1 1093 . 1 1 106 106 PHE N N 15 123.112 0.3 . 1 . . . . . 104 PHE N . 27051 1 1094 . 1 1 107 107 THR H H 1 8.588 0.020 . 1 . . . . . 105 THR H . 27051 1 1095 . 1 1 107 107 THR HA H 1 4.177 0.020 . 1 . . . . . 105 THR HA . 27051 1 1096 . 1 1 107 107 THR HB H 1 4.049 0.020 . 1 . . . . . 105 THR HB . 27051 1 1097 . 1 1 107 107 THR HG21 H 1 1.167 0.020 . 1 . . . . . 105 THR HG2 . 27051 1 1098 . 1 1 107 107 THR HG22 H 1 1.167 0.020 . 1 . . . . . 105 THR HG2 . 27051 1 1099 . 1 1 107 107 THR HG23 H 1 1.167 0.020 . 1 . . . . . 105 THR HG2 . 27051 1 1100 . 1 1 107 107 THR C C 13 173.668 0.3 . 1 . . . . . 105 THR C . 27051 1 1101 . 1 1 107 107 THR CA C 13 62.960 0.3 . 1 . . . . . 105 THR CA . 27051 1 1102 . 1 1 107 107 THR CB C 13 69.338 0.3 . 1 . . . . . 105 THR CB . 27051 1 1103 . 1 1 107 107 THR CG2 C 13 23.150 0.3 . 1 . . . . . 105 THR CG2 . 27051 1 1104 . 1 1 107 107 THR N N 15 116.684 0.3 . 1 . . . . . 105 THR N . 27051 1 1105 . 1 1 108 108 TYR H H 1 9.170 0.020 . 1 . . . . . 106 TYR H . 27051 1 1106 . 1 1 108 108 TYR HA H 1 4.930 0.020 . 1 . . . . . 106 TYR HA . 27051 1 1107 . 1 1 108 108 TYR HB2 H 1 2.947 0.020 . 1 . . . . . 106 TYR HB2 . 27051 1 1108 . 1 1 108 108 TYR HB3 H 1 2.947 0.020 . 1 . . . . . 106 TYR HB3 . 27051 1 1109 . 1 1 108 108 TYR HD1 H 1 7.179 0.020 . 1 . . . . . 106 TYR HD1 . 27051 1 1110 . 1 1 108 108 TYR HD2 H 1 7.179 0.020 . 1 . . . . . 106 TYR HD2 . 27051 1 1111 . 1 1 108 108 TYR C C 13 175.823 0.3 . 1 . . . . . 106 TYR C . 27051 1 1112 . 1 1 108 108 TYR CA C 13 56.295 0.3 . 1 . . . . . 106 TYR CA . 27051 1 1113 . 1 1 108 108 TYR CB C 13 40.471 0.3 . 1 . . . . . 106 TYR CB . 27051 1 1114 . 1 1 108 108 TYR N N 15 130.214 0.3 . 1 . . . . . 106 TYR N . 27051 1 1115 . 1 1 109 109 GLY H H 1 9.149 0.020 . 1 . . . . . 107 GLY H . 27051 1 1116 . 1 1 109 109 GLY HA2 H 1 4.168 0.020 . 1 . . . . . 107 GLY HA2 . 27051 1 1117 . 1 1 109 109 GLY HA3 H 1 4.168 0.020 . 1 . . . . . 107 GLY HA3 . 27051 1 1118 . 1 1 109 109 GLY C C 13 175.750 0.3 . 1 . . . . . 107 GLY C . 27051 1 1119 . 1 1 109 109 GLY CA C 13 45.374 0.3 . 1 . . . . . 107 GLY CA . 27051 1 1120 . 1 1 109 109 GLY N N 15 113.961 0.3 . 1 . . . . . 107 GLY N . 27051 1 1121 . 1 1 110 110 GLY H H 1 7.660 0.020 . 1 . . . . . 108 GLY H . 27051 1 1122 . 1 1 110 110 GLY HA2 H 1 4.044 0.020 . 1 . . . . . 108 GLY HA2 . 27051 1 1123 . 1 1 110 110 GLY HA3 H 1 4.044 0.020 . 1 . . . . . 108 GLY HA3 . 27051 1 1124 . 1 1 110 110 GLY C C 13 174.009 0.3 . 1 . . . . . 108 GLY C . 27051 1 1125 . 1 1 110 110 GLY CA C 13 45.311 0.3 . 1 . . . . . 108 GLY CA . 27051 1 1126 . 1 1 110 110 GLY N N 15 108.066 0.3 . 1 . . . . . 108 GLY N . 27051 1 1127 . 1 1 111 111 ILE H H 1 8.359 0.020 . 1 . . . . . 109 ILE H . 27051 1 1128 . 1 1 111 111 ILE HA H 1 4.787 0.020 . 1 . . . . . 109 ILE HA . 27051 1 1129 . 1 1 111 111 ILE HB H 1 2.151 0.020 . 1 . . . . . 109 ILE HB . 27051 1 1130 . 1 1 111 111 ILE HG12 H 1 1.692 0.020 . 1 . . . . . 109 ILE HG12 . 27051 1 1131 . 1 1 111 111 ILE HG21 H 1 0.979 0.020 . 1 . . . . . 109 ILE HG2 . 27051 1 1132 . 1 1 111 111 ILE HG22 H 1 0.979 0.020 . 1 . . . . . 109 ILE HG2 . 27051 1 1133 . 1 1 111 111 ILE HG23 H 1 0.979 0.020 . 1 . . . . . 109 ILE HG2 . 27051 1 1134 . 1 1 111 111 ILE HD11 H 1 0.888 0.020 . 1 . . . . . 109 ILE HD1 . 27051 1 1135 . 1 1 111 111 ILE HD12 H 1 0.888 0.020 . 1 . . . . . 109 ILE HD1 . 27051 1 1136 . 1 1 111 111 ILE HD13 H 1 0.888 0.020 . 1 . . . . . 109 ILE HD1 . 27051 1 1137 . 1 1 111 111 ILE C C 13 177.297 0.3 . 1 . . . . . 109 ILE C . 27051 1 1138 . 1 1 111 111 ILE CA C 13 54.908 0.3 . 1 . . . . . 109 ILE CA . 27051 1 1139 . 1 1 111 111 ILE CB C 13 30.355 0.3 . 1 . . . . . 109 ILE CB . 27051 1 1140 . 1 1 111 111 ILE CG1 C 13 27.881 0.3 . 1 . . . . . 109 ILE CG1 . 27051 1 1141 . 1 1 111 111 ILE CG2 C 13 18.295 0.3 . 1 . . . . . 109 ILE CG2 . 27051 1 1142 . 1 1 111 111 ILE CD1 C 13 12.991 0.3 . 1 . . . . . 109 ILE CD1 . 27051 1 1143 . 1 1 111 111 ILE N N 15 115.921 0.3 . 1 . . . . . 109 ILE N . 27051 1 1144 . 1 1 112 112 THR HA H 1 4.033 0.020 . 1 . . . . . 110 THR HA . 27051 1 1145 . 1 1 112 112 THR HB H 1 3.878 0.020 . 1 . . . . . 110 THR HB . 27051 1 1146 . 1 1 112 112 THR HG21 H 1 1.462 0.020 . 1 . . . . . 110 THR HG2 . 27051 1 1147 . 1 1 112 112 THR HG22 H 1 1.462 0.020 . 1 . . . . . 110 THR HG2 . 27051 1 1148 . 1 1 112 112 THR HG23 H 1 1.462 0.020 . 1 . . . . . 110 THR HG2 . 27051 1 1149 . 1 1 112 112 THR CA C 13 66.733 0.3 . 1 . . . . . 110 THR CA . 27051 1 1150 . 1 1 112 112 THR CB C 13 69.864 0.3 . 1 . . . . . 110 THR CB . 27051 1 1151 . 1 1 112 112 THR CG2 C 13 22.434 0.3 . 1 . . . . . 110 THR CG2 . 27051 1 1152 . 1 1 113 113 GLY HA2 H 1 4.494 0.020 . 1 . . . . . 111 GLY HA2 . 27051 1 1153 . 1 1 113 113 GLY HA3 H 1 4.494 0.020 . 1 . . . . . 111 GLY HA3 . 27051 1 1154 . 1 1 113 113 GLY CA C 13 45.973 0.3 . 1 . . . . . 111 GLY CA . 27051 1 1155 . 1 1 114 114 ASN HA H 1 4.928 0.020 . 1 . . . . . 112 ASN HA . 27051 1 1156 . 1 1 114 114 ASN HB2 H 1 3.326 0.020 . 2 . . . . . 112 ASN HB2 . 27051 1 1157 . 1 1 114 114 ASN HB3 H 1 3.143 0.020 . 2 . . . . . 112 ASN HB3 . 27051 1 1158 . 1 1 114 114 ASN C C 13 176.044 0.3 . 1 . . . . . 112 ASN C . 27051 1 1159 . 1 1 114 114 ASN CA C 13 52.527 0.3 . 1 . . . . . 112 ASN CA . 27051 1 1160 . 1 1 114 114 ASN CB C 13 40.689 0.3 . 1 . . . . . 112 ASN CB . 27051 1 1161 . 1 1 116 116 ASN HA H 1 4.707 0.020 . 1 . . . . . 114 ASN HA . 27051 1 1162 . 1 1 116 116 ASN HB2 H 1 3.278 0.020 . 2 . . . . . 114 ASN HB2 . 27051 1 1163 . 1 1 116 116 ASN HB3 H 1 2.907 0.020 . 2 . . . . . 114 ASN HB3 . 27051 1 1164 . 1 1 116 116 ASN C C 13 175.016 0.3 . 1 . . . . . 114 ASN C . 27051 1 1165 . 1 1 116 116 ASN CA C 13 51.609 0.3 . 1 . . . . . 114 ASN CA . 27051 1 1166 . 1 1 116 116 ASN CB C 13 35.553 0.3 . 1 . . . . . 114 ASN CB . 27051 1 1167 . 1 1 117 117 ASN H H 1 6.348 0.020 . 1 . . . . . 115 ASN H . 27051 1 1168 . 1 1 117 117 ASN HA H 1 4.865 0.020 . 1 . . . . . 115 ASN HA . 27051 1 1169 . 1 1 117 117 ASN HB2 H 1 2.661 0.020 . 1 . . . . . 115 ASN HB2 . 27051 1 1170 . 1 1 117 117 ASN HB3 H 1 2.661 0.020 . 1 . . . . . 115 ASN HB3 . 27051 1 1171 . 1 1 117 117 ASN HD21 H 1 7.308 0.020 . 1 . . . . . 115 ASN HD21 . 27051 1 1172 . 1 1 117 117 ASN HD22 H 1 6.754 0.020 . 1 . . . . . 115 ASN HD22 . 27051 1 1173 . 1 1 117 117 ASN C C 13 174.739 0.3 . 1 . . . . . 115 ASN C . 27051 1 1174 . 1 1 117 117 ASN CA C 13 54.719 0.3 . 1 . . . . . 115 ASN CA . 27051 1 1175 . 1 1 117 117 ASN CB C 13 38.499 0.3 . 1 . . . . . 115 ASN CB . 27051 1 1176 . 1 1 117 117 ASN N N 15 117.782 0.3 . 1 . . . . . 115 ASN N . 27051 1 1177 . 1 1 117 117 ASN ND2 N 15 111.661 0.3 . 1 . . . . . 115 ASN ND2 . 27051 1 1178 . 1 1 118 118 PHE H H 1 10.294 0.020 . 1 . . . . . 116 PHE H . 27051 1 1179 . 1 1 118 118 PHE HA H 1 5.191 0.020 . 1 . . . . . 116 PHE HA . 27051 1 1180 . 1 1 118 118 PHE HB2 H 1 3.385 0.020 . 2 . . . . . 116 PHE HB2 . 27051 1 1181 . 1 1 118 118 PHE HB3 H 1 2.901 0.020 . 2 . . . . . 116 PHE HB3 . 27051 1 1182 . 1 1 118 118 PHE HD1 H 1 7.104 0.020 . 1 . . . . . 116 PHE HD1 . 27051 1 1183 . 1 1 118 118 PHE HD2 H 1 7.104 0.020 . 1 . . . . . 116 PHE HD2 . 27051 1 1184 . 1 1 118 118 PHE C C 13 176.880 0.3 . 1 . . . . . 116 PHE C . 27051 1 1185 . 1 1 118 118 PHE CA C 13 56.712 0.3 . 1 . . . . . 116 PHE CA . 27051 1 1186 . 1 1 118 118 PHE CB C 13 43.446 0.3 . 1 . . . . . 116 PHE CB . 27051 1 1187 . 1 1 118 118 PHE N N 15 123.834 0.3 . 1 . . . . . 116 PHE N . 27051 1 1188 . 1 1 119 119 GLU H H 1 9.530 0.020 . 1 . . . . . 117 GLU H . 27051 1 1189 . 1 1 119 119 GLU HA H 1 4.395 0.020 . 1 . . . . . 117 GLU HA . 27051 1 1190 . 1 1 119 119 GLU HB2 H 1 2.390 0.020 . 1 . . . . . 117 GLU HB2 . 27051 1 1191 . 1 1 119 119 GLU HB3 H 1 2.390 0.020 . 1 . . . . . 117 GLU HB3 . 27051 1 1192 . 1 1 119 119 GLU HG2 H 1 2.359 0.020 . 1 . . . . . 117 GLU HG2 . 27051 1 1193 . 1 1 119 119 GLU HG3 H 1 2.359 0.020 . 1 . . . . . 117 GLU HG3 . 27051 1 1194 . 1 1 119 119 GLU C C 13 176.324 0.3 . 1 . . . . . 117 GLU C . 27051 1 1195 . 1 1 119 119 GLU CA C 13 59.385 0.3 . 1 . . . . . 117 GLU CA . 27051 1 1196 . 1 1 119 119 GLU CB C 13 31.116 0.3 . 1 . . . . . 117 GLU CB . 27051 1 1197 . 1 1 119 119 GLU CG C 13 37.144 0.3 . 1 . . . . . 117 GLU CG . 27051 1 1198 . 1 1 119 119 GLU N N 15 120.248 0.3 . 1 . . . . . 117 GLU N . 27051 1 1199 . 1 1 120 120 SER H H 1 7.610 0.020 . 1 . . . . . 118 SER H . 27051 1 1200 . 1 1 120 120 SER HA H 1 4.699 0.020 . 1 . . . . . 118 SER HA . 27051 1 1201 . 1 1 120 120 SER HB2 H 1 4.031 0.020 . 1 . . . . . 118 SER HB2 . 27051 1 1202 . 1 1 120 120 SER HB3 H 1 4.031 0.020 . 1 . . . . . 118 SER HB3 . 27051 1 1203 . 1 1 120 120 SER C C 13 173.433 0.3 . 1 . . . . . 118 SER C . 27051 1 1204 . 1 1 120 120 SER CA C 13 56.990 0.3 . 1 . . . . . 118 SER CA . 27051 1 1205 . 1 1 120 120 SER CB C 13 66.739 0.3 . 1 . . . . . 118 SER CB . 27051 1 1206 . 1 1 120 120 SER N N 15 108.952 0.3 . 1 . . . . . 118 SER N . 27051 1 1207 . 1 1 121 121 GLU H H 1 7.967 0.020 . 1 . . . . . 119 GLU H . 27051 1 1208 . 1 1 121 121 GLU HA H 1 4.500 0.020 . 1 . . . . . 119 GLU HA . 27051 1 1209 . 1 1 121 121 GLU HB2 H 1 2.572 0.020 . 1 . . . . . 119 GLU HB2 . 27051 1 1210 . 1 1 121 121 GLU HB3 H 1 2.572 0.020 . 1 . . . . . 119 GLU HB3 . 27051 1 1211 . 1 1 121 121 GLU HG2 H 1 2.380 0.020 . 2 . . . . . 119 GLU HG2 . 27051 1 1212 . 1 1 121 121 GLU HG3 H 1 2.290 0.020 . 2 . . . . . 119 GLU HG3 . 27051 1 1213 . 1 1 121 121 GLU C C 13 178.961 0.3 . 1 . . . . . 119 GLU C . 27051 1 1214 . 1 1 121 121 GLU CA C 13 60.296 0.3 . 1 . . . . . 119 GLU CA . 27051 1 1215 . 1 1 121 121 GLU CB C 13 29.586 0.3 . 1 . . . . . 119 GLU CB . 27051 1 1216 . 1 1 121 121 GLU CG C 13 36.904 0.3 . 1 . . . . . 119 GLU CG . 27051 1 1217 . 1 1 121 121 GLU N N 15 123.040 0.3 . 1 . . . . . 119 GLU N . 27051 1 1218 . 1 1 122 122 GLU H H 1 8.569 0.020 . 1 . . . . . 120 GLU H . 27051 1 1219 . 1 1 122 122 GLU HA H 1 3.752 0.020 . 1 . . . . . 120 GLU HA . 27051 1 1220 . 1 1 122 122 GLU HB2 H 1 1.883 0.020 . 1 . . . . . 120 GLU HB2 . 27051 1 1221 . 1 1 122 122 GLU HB3 H 1 1.883 0.020 . 1 . . . . . 120 GLU HB3 . 27051 1 1222 . 1 1 122 122 GLU HG2 H 1 1.970 0.020 . 1 . . . . . 120 GLU HG2 . 27051 1 1223 . 1 1 122 122 GLU HG3 H 1 1.970 0.020 . 1 . . . . . 120 GLU HG3 . 27051 1 1224 . 1 1 122 122 GLU C C 13 179.064 0.3 . 1 . . . . . 120 GLU C . 27051 1 1225 . 1 1 122 122 GLU CA C 13 60.880 0.3 . 1 . . . . . 120 GLU CA . 27051 1 1226 . 1 1 122 122 GLU CB C 13 29.802 0.3 . 1 . . . . . 120 GLU CB . 27051 1 1227 . 1 1 122 122 GLU CG C 13 37.155 0.3 . 1 . . . . . 120 GLU CG . 27051 1 1228 . 1 1 122 122 GLU N N 15 117.148 0.3 . 1 . . . . . 120 GLU N . 27051 1 1229 . 1 1 123 123 GLU H H 1 7.926 0.020 . 1 . . . . . 121 GLU H . 27051 1 1230 . 1 1 123 123 GLU HA H 1 4.004 0.020 . 1 . . . . . 121 GLU HA . 27051 1 1231 . 1 1 123 123 GLU HB2 H 1 2.201 0.020 . 1 . . . . . 121 GLU HB2 . 27051 1 1232 . 1 1 123 123 GLU HB3 H 1 2.201 0.020 . 1 . . . . . 121 GLU HB3 . 27051 1 1233 . 1 1 123 123 GLU HG2 H 1 2.270 0.020 . 1 . . . . . 121 GLU HG2 . 27051 1 1234 . 1 1 123 123 GLU HG3 H 1 2.270 0.020 . 1 . . . . . 121 GLU HG3 . 27051 1 1235 . 1 1 123 123 GLU C C 13 179.382 0.3 . 1 . . . . . 121 GLU C . 27051 1 1236 . 1 1 123 123 GLU CA C 13 59.843 0.3 . 1 . . . . . 121 GLU CA . 27051 1 1237 . 1 1 123 123 GLU CB C 13 31.110 0.3 . 1 . . . . . 121 GLU CB . 27051 1 1238 . 1 1 123 123 GLU CG C 13 37.390 0.3 . 1 . . . . . 121 GLU CG . 27051 1 1239 . 1 1 123 123 GLU N N 15 119.647 0.3 . 1 . . . . . 121 GLU N . 27051 1 1240 . 1 1 124 124 CYS H H 1 7.278 0.020 . 1 . . . . . 122 CYS H . 27051 1 1241 . 1 1 124 124 CYS HA H 1 5.029 0.020 . 1 . . . . . 122 CYS HA . 27051 1 1242 . 1 1 124 124 CYS HB2 H 1 2.997 0.020 . 1 . . . . . 122 CYS HB2 . 27051 1 1243 . 1 1 124 124 CYS HB3 H 1 2.997 0.020 . 1 . . . . . 122 CYS HB3 . 27051 1 1244 . 1 1 124 124 CYS C C 13 175.323 0.3 . 1 . . . . . 122 CYS C . 27051 1 1245 . 1 1 124 124 CYS CA C 13 60.566 0.3 . 1 . . . . . 122 CYS CA . 27051 1 1246 . 1 1 124 124 CYS CB C 13 43.230 0.3 . 1 . . . . . 122 CYS CB . 27051 1 1247 . 1 1 124 124 CYS N N 15 120.236 0.3 . 1 . . . . . 122 CYS N . 27051 1 1248 . 1 1 125 125 LYS H H 1 8.664 0.020 . 1 . . . . . 123 LYS H . 27051 1 1249 . 1 1 125 125 LYS HA H 1 3.881 0.020 . 1 . . . . . 123 LYS HA . 27051 1 1250 . 1 1 125 125 LYS HB2 H 1 1.766 0.020 . 1 . . . . . 123 LYS HB2 . 27051 1 1251 . 1 1 125 125 LYS HB3 H 1 1.766 0.020 . 1 . . . . . 123 LYS HB3 . 27051 1 1252 . 1 1 125 125 LYS HG2 H 1 1.533 0.020 . 1 . . . . . 123 LYS HG2 . 27051 1 1253 . 1 1 125 125 LYS HG3 H 1 1.533 0.020 . 1 . . . . . 123 LYS HG3 . 27051 1 1254 . 1 1 125 125 LYS HD2 H 1 1.632 0.020 . 1 . . . . . 123 LYS HD2 . 27051 1 1255 . 1 1 125 125 LYS HD3 H 1 1.632 0.020 . 1 . . . . . 123 LYS HD3 . 27051 1 1256 . 1 1 125 125 LYS HE2 H 1 3.102 0.020 . 1 . . . . . 123 LYS HE2 . 27051 1 1257 . 1 1 125 125 LYS HE3 H 1 3.102 0.020 . 1 . . . . . 123 LYS HE3 . 27051 1 1258 . 1 1 125 125 LYS C C 13 179.103 0.3 . 1 . . . . . 123 LYS C . 27051 1 1259 . 1 1 125 125 LYS CA C 13 60.218 0.3 . 1 . . . . . 123 LYS CA . 27051 1 1260 . 1 1 125 125 LYS CB C 13 33.249 0.3 . 1 . . . . . 123 LYS CB . 27051 1 1261 . 1 1 125 125 LYS CG C 13 26.877 0.3 . 1 . . . . . 123 LYS CG . 27051 1 1262 . 1 1 125 125 LYS CD C 13 30.382 0.3 . 1 . . . . . 123 LYS CD . 27051 1 1263 . 1 1 125 125 LYS CE C 13 42.305 0.3 . 1 . . . . . 123 LYS CE . 27051 1 1264 . 1 1 125 125 LYS N N 15 120.498 0.3 . 1 . . . . . 123 LYS N . 27051 1 1265 . 1 1 126 126 GLU H H 1 7.920 0.020 . 1 . . . . . 124 GLU H . 27051 1 1266 . 1 1 126 126 GLU HA H 1 4.072 0.020 . 1 . . . . . 124 GLU HA . 27051 1 1267 . 1 1 126 126 GLU HB2 H 1 2.046 0.020 . 1 . . . . . 124 GLU HB2 . 27051 1 1268 . 1 1 126 126 GLU HB3 H 1 2.046 0.020 . 1 . . . . . 124 GLU HB3 . 27051 1 1269 . 1 1 126 126 GLU HG2 H 1 2.400 0.020 . 1 . . . . . 124 GLU HG2 . 27051 1 1270 . 1 1 126 126 GLU HG3 H 1 2.400 0.020 . 1 . . . . . 124 GLU HG3 . 27051 1 1271 . 1 1 126 126 GLU C C 13 178.743 0.3 . 1 . . . . . 124 GLU C . 27051 1 1272 . 1 1 126 126 GLU CA C 13 58.647 0.3 . 1 . . . . . 124 GLU CA . 27051 1 1273 . 1 1 126 126 GLU CB C 13 30.683 0.3 . 1 . . . . . 124 GLU CB . 27051 1 1274 . 1 1 126 126 GLU CG C 13 37.134 0.3 . 1 . . . . . 124 GLU CG . 27051 1 1275 . 1 1 126 126 GLU N N 15 116.053 0.3 . 1 . . . . . 124 GLU N . 27051 1 1276 . 1 1 127 127 THR H H 1 7.518 0.020 . 1 . . . . . 125 THR H . 27051 1 1277 . 1 1 127 127 THR HA H 1 4.384 0.020 . 1 . . . . . 125 THR HA . 27051 1 1278 . 1 1 127 127 THR HB H 1 3.870 0.020 . 1 . . . . . 125 THR HB . 27051 1 1279 . 1 1 127 127 THR HG21 H 1 1.468 0.020 . 1 . . . . . 125 THR HG2 . 27051 1 1280 . 1 1 127 127 THR HG22 H 1 1.468 0.020 . 1 . . . . . 125 THR HG2 . 27051 1 1281 . 1 1 127 127 THR HG23 H 1 1.468 0.020 . 1 . . . . . 125 THR HG2 . 27051 1 1282 . 1 1 127 127 THR C C 13 175.907 0.3 . 1 . . . . . 125 THR C . 27051 1 1283 . 1 1 127 127 THR CA C 13 66.619 0.3 . 1 . . . . . 125 THR CA . 27051 1 1284 . 1 1 127 127 THR CB C 13 69.966 0.3 . 1 . . . . . 125 THR CB . 27051 1 1285 . 1 1 127 127 THR CG2 C 13 22.423 0.3 . 1 . . . . . 125 THR CG2 . 27051 1 1286 . 1 1 127 127 THR N N 15 114.626 0.3 . 1 . . . . . 125 THR N . 27051 1 1287 . 1 1 128 128 CYS H H 1 8.171 0.020 . 1 . . . . . 126 CYS H . 27051 1 1288 . 1 1 128 128 CYS HA H 1 4.852 0.020 . 1 . . . . . 126 CYS HA . 27051 1 1289 . 1 1 128 128 CYS HB2 H 1 2.230 0.020 . 2 . . . . . 126 CYS HB2 . 27051 1 1290 . 1 1 128 128 CYS HB3 H 1 1.952 0.020 . 2 . . . . . 126 CYS HB3 . 27051 1 1291 . 1 1 128 128 CYS C C 13 172.680 0.3 . 1 . . . . . 126 CYS C . 27051 1 1292 . 1 1 128 128 CYS CA C 13 53.736 0.3 . 1 . . . . . 126 CYS CA . 27051 1 1293 . 1 1 128 128 CYS CB C 13 40.918 0.3 . 1 . . . . . 126 CYS CB . 27051 1 1294 . 1 1 128 128 CYS N N 15 119.659 0.3 . 1 . . . . . 126 CYS N . 27051 1 1295 . 1 1 129 129 LYS H H 1 7.419 0.020 . 1 . . . . . 127 LYS H . 27051 1 1296 . 1 1 129 129 LYS HA H 1 4.500 0.020 . 1 . . . . . 127 LYS HA . 27051 1 1297 . 1 1 129 129 LYS HB2 H 1 2.174 0.020 . 2 . . . . . 127 LYS HB2 . 27051 1 1298 . 1 1 129 129 LYS HB3 H 1 2.205 0.020 . 2 . . . . . 127 LYS HB3 . 27051 1 1299 . 1 1 129 129 LYS HG2 H 1 1.273 0.020 . 1 . . . . . 127 LYS HG2 . 27051 1 1300 . 1 1 129 129 LYS HG3 H 1 1.273 0.020 . 1 . . . . . 127 LYS HG3 . 27051 1 1301 . 1 1 129 129 LYS HD2 H 1 1.824 0.020 . 1 . . . . . 127 LYS HD2 . 27051 1 1302 . 1 1 129 129 LYS HD3 H 1 1.824 0.020 . 1 . . . . . 127 LYS HD3 . 27051 1 1303 . 1 1 129 129 LYS HE2 H 1 3.175 0.020 . 1 . . . . . 127 LYS HE2 . 27051 1 1304 . 1 1 129 129 LYS HE3 H 1 3.175 0.020 . 1 . . . . . 127 LYS HE3 . 27051 1 1305 . 1 1 129 129 LYS C C 13 176.265 0.3 . 1 . . . . . 127 LYS C . 27051 1 1306 . 1 1 129 129 LYS CA C 13 56.787 0.3 . 1 . . . . . 127 LYS CA . 27051 1 1307 . 1 1 129 129 LYS CB C 13 34.127 0.3 . 1 . . . . . 127 LYS CB . 27051 1 1308 . 1 1 129 129 LYS CG C 13 23.563 0.3 . 1 . . . . . 127 LYS CG . 27051 1 1309 . 1 1 129 129 LYS CD C 13 30.440 0.3 . 1 . . . . . 127 LYS CD . 27051 1 1310 . 1 1 129 129 LYS CE C 13 43.125 0.3 . 1 . . . . . 127 LYS CE . 27051 1 1311 . 1 1 129 129 LYS N N 15 118.530 0.3 . 1 . . . . . 127 LYS N . 27051 1 1312 . 1 1 130 130 GLY H H 1 8.458 0.020 . 1 . . . . . 128 GLY H . 27051 1 1313 . 1 1 130 130 GLY HA2 H 1 3.804 0.020 . 2 . . . . . 128 GLY HA2 . 27051 1 1314 . 1 1 130 130 GLY HA3 H 1 3.570 0.020 . 2 . . . . . 128 GLY HA3 . 27051 1 1315 . 1 1 130 130 GLY C C 13 174.739 0.3 . 1 . . . . . 128 GLY C . 27051 1 1316 . 1 1 130 130 GLY CA C 13 46.172 0.3 . 1 . . . . . 128 GLY CA . 27051 1 1317 . 1 1 130 130 GLY N N 15 106.413 0.3 . 1 . . . . . 128 GLY N . 27051 1 1318 . 1 1 131 131 PHE H H 1 7.720 0.020 . 1 . . . . . 129 PHE H . 27051 1 1319 . 1 1 131 131 PHE HA H 1 4.919 0.020 . 1 . . . . . 129 PHE HA . 27051 1 1320 . 1 1 131 131 PHE HB2 H 1 2.977 0.020 . 2 . . . . . 129 PHE HB2 . 27051 1 1321 . 1 1 131 131 PHE HB3 H 1 2.786 0.020 . 2 . . . . . 129 PHE HB3 . 27051 1 1322 . 1 1 131 131 PHE HD1 H 1 6.781 0.020 . 1 . . . . . 129 PHE HD1 . 27051 1 1323 . 1 1 131 131 PHE HD2 H 1 6.781 0.020 . 1 . . . . . 129 PHE HD2 . 27051 1 1324 . 1 1 131 131 PHE C C 13 176.379 0.3 . 1 . . . . . 129 PHE C . 27051 1 1325 . 1 1 131 131 PHE CA C 13 58.305 0.3 . 1 . . . . . 129 PHE CA . 27051 1 1326 . 1 1 131 131 PHE CB C 13 39.783 0.3 . 1 . . . . . 129 PHE CB . 27051 1 1327 . 1 1 131 131 PHE N N 15 118.831 0.3 . 1 . . . . . 129 PHE N . 27051 1 1328 . 1 1 132 132 SER H H 1 9.177 0.020 . 1 . . . . . 130 SER H . 27051 1 1329 . 1 1 132 132 SER HA H 1 4.941 0.020 . 1 . . . . . 130 SER HA . 27051 1 1330 . 1 1 132 132 SER HB2 H 1 4.103 0.020 . 1 . . . . . 130 SER HB2 . 27051 1 1331 . 1 1 132 132 SER HB3 H 1 4.103 0.020 . 1 . . . . . 130 SER HB3 . 27051 1 1332 . 1 1 132 132 SER C C 13 174.156 0.3 . 1 . . . . . 130 SER C . 27051 1 1333 . 1 1 132 132 SER CA C 13 58.076 0.3 . 1 . . . . . 130 SER CA . 27051 1 1334 . 1 1 132 132 SER CB C 13 66.021 0.3 . 1 . . . . . 130 SER CB . 27051 1 1335 . 1 1 132 132 SER N N 15 117.651 0.3 . 1 . . . . . 130 SER N . 27051 1 1336 . 1 1 133 133 LEU H H 1 8.745 0.020 . 1 . . . . . 131 LEU H . 27051 1 1337 . 1 1 133 133 LEU HA H 1 4.176 0.020 . 1 . . . . . 131 LEU HA . 27051 1 1338 . 1 1 133 133 LEU HB2 H 1 1.762 0.020 . 1 . . . . . 131 LEU HB2 . 27051 1 1339 . 1 1 133 133 LEU HB3 H 1 1.762 0.020 . 1 . . . . . 131 LEU HB3 . 27051 1 1340 . 1 1 133 133 LEU HG H 1 1.604 0.020 . 1 . . . . . 131 LEU HG . 27051 1 1341 . 1 1 133 133 LEU HD11 H 1 1.008 0.020 . 2 . . . . . 131 LEU HD1 . 27051 1 1342 . 1 1 133 133 LEU HD12 H 1 1.008 0.020 . 2 . . . . . 131 LEU HD1 . 27051 1 1343 . 1 1 133 133 LEU HD13 H 1 1.008 0.020 . 2 . . . . . 131 LEU HD1 . 27051 1 1344 . 1 1 133 133 LEU HD21 H 1 0.980 0.020 . 2 . . . . . 131 LEU HD2 . 27051 1 1345 . 1 1 133 133 LEU HD22 H 1 0.980 0.020 . 2 . . . . . 131 LEU HD2 . 27051 1 1346 . 1 1 133 133 LEU HD23 H 1 0.980 0.020 . 2 . . . . . 131 LEU HD2 . 27051 1 1347 . 1 1 133 133 LEU C C 13 177.732 0.3 . 1 . . . . . 131 LEU C . 27051 1 1348 . 1 1 133 133 LEU CA C 13 58.175 0.3 . 1 . . . . . 131 LEU CA . 27051 1 1349 . 1 1 133 133 LEU CB C 13 44.291 0.3 . 1 . . . . . 131 LEU CB . 27051 1 1350 . 1 1 133 133 LEU CG C 13 28.009 0.3 . 1 . . . . . 131 LEU CG . 27051 1 1351 . 1 1 133 133 LEU CD1 C 13 25.477 0.3 . 1 . . . . . 131 LEU CD1 . 27051 1 1352 . 1 1 133 133 LEU CD2 C 13 25.400 0.3 . 1 . . . . . 131 LEU CD2 . 27051 1 1353 . 1 1 133 133 LEU N N 15 123.561 0.3 . 1 . . . . . 131 LEU N . 27051 1 1354 . 1 1 134 134 LEU H H 1 7.719 0.020 . 1 . . . . . 132 LEU H . 27051 1 1355 . 1 1 134 134 LEU HA H 1 4.922 0.020 . 1 . . . . . 132 LEU HA . 27051 1 1356 . 1 1 134 134 LEU HB2 H 1 1.667 0.020 . 1 . . . . . 132 LEU HB2 . 27051 1 1357 . 1 1 134 134 LEU HB3 H 1 1.667 0.020 . 1 . . . . . 132 LEU HB3 . 27051 1 1358 . 1 1 134 134 LEU HG H 1 1.597 0.020 . 1 . . . . . 132 LEU HG . 27051 1 1359 . 1 1 134 134 LEU HD11 H 1 1.364 0.020 . 1 . . . . . 132 LEU HD1 . 27051 1 1360 . 1 1 134 134 LEU HD12 H 1 1.364 0.020 . 1 . . . . . 132 LEU HD1 . 27051 1 1361 . 1 1 134 134 LEU HD13 H 1 1.364 0.020 . 1 . . . . . 132 LEU HD1 . 27051 1 1362 . 1 1 134 134 LEU C C 13 178.018 0.3 . 1 . . . . . 132 LEU C . 27051 1 1363 . 1 1 134 134 LEU CA C 13 54.408 0.3 . 1 . . . . . 132 LEU CA . 27051 1 1364 . 1 1 134 134 LEU CB C 13 44.420 0.3 . 1 . . . . . 132 LEU CB . 27051 1 1365 . 1 1 134 134 LEU CG C 13 27.535 0.3 . 1 . . . . . 132 LEU CG . 27051 1 1366 . 1 1 134 134 LEU CD1 C 13 25.290 0.3 . 1 . . . . . 132 LEU CD1 . 27051 1 1367 . 1 1 134 134 LEU N N 15 115.053 0.3 . 1 . . . . . 132 LEU N . 27051 1 1368 . 1 1 135 135 LYS H H 1 8.991 0.020 . 1 . . . . . 133 LYS H . 27051 1 1369 . 1 1 135 135 LYS HA H 1 4.597 0.020 . 1 . . . . . 133 LYS HA . 27051 1 1370 . 1 1 135 135 LYS HB2 H 1 1.788 0.020 . 1 . . . . . 133 LYS HB2 . 27051 1 1371 . 1 1 135 135 LYS HB3 H 1 1.788 0.020 . 1 . . . . . 133 LYS HB3 . 27051 1 1372 . 1 1 135 135 LYS HG2 H 1 1.366 0.020 . 1 . . . . . 133 LYS HG2 . 27051 1 1373 . 1 1 135 135 LYS HG3 H 1 1.366 0.020 . 1 . . . . . 133 LYS HG3 . 27051 1 1374 . 1 1 135 135 LYS HD2 H 1 1.745 0.020 . 1 . . . . . 133 LYS HD2 . 27051 1 1375 . 1 1 135 135 LYS HD3 H 1 1.745 0.020 . 1 . . . . . 133 LYS HD3 . 27051 1 1376 . 1 1 135 135 LYS HE2 H 1 3.082 0.020 . 1 . . . . . 133 LYS HE2 . 27051 1 1377 . 1 1 135 135 LYS HE3 H 1 3.082 0.020 . 1 . . . . . 133 LYS HE3 . 27051 1 1378 . 1 1 135 135 LYS C C 13 176.325 0.3 . 1 . . . . . 133 LYS C . 27051 1 1379 . 1 1 135 135 LYS CA C 13 56.129 0.3 . 1 . . . . . 133 LYS CA . 27051 1 1380 . 1 1 135 135 LYS CB C 13 35.193 0.3 . 1 . . . . . 133 LYS CB . 27051 1 1381 . 1 1 135 135 LYS CG C 13 25.331 0.3 . 1 . . . . . 133 LYS CG . 27051 1 1382 . 1 1 135 135 LYS CD C 13 30.361 0.3 . 1 . . . . . 133 LYS CD . 27051 1 1383 . 1 1 135 135 LYS CE C 13 42.907 0.3 . 1 . . . . . 133 LYS CE . 27051 1 1384 . 1 1 135 135 LYS N N 15 121.359 0.3 . 1 . . . . . 133 LYS N . 27051 1 1385 . 1 1 136 136 LYS H H 1 8.606 0.020 . 1 . . . . . 134 LYS H . 27051 1 1386 . 1 1 136 136 LYS HA H 1 4.517 0.020 . 1 . . . . . 134 LYS HA . 27051 1 1387 . 1 1 136 136 LYS HB2 H 1 1.922 0.020 . 1 . . . . . 134 LYS HB2 . 27051 1 1388 . 1 1 136 136 LYS HB3 H 1 1.922 0.020 . 1 . . . . . 134 LYS HB3 . 27051 1 1389 . 1 1 136 136 LYS HD2 H 1 1.379 0.020 . 1 . . . . . 134 LYS HD2 . 27051 1 1390 . 1 1 136 136 LYS HD3 H 1 1.379 0.020 . 1 . . . . . 134 LYS HD3 . 27051 1 1391 . 1 1 136 136 LYS HE2 H 1 2.939 0.020 . 1 . . . . . 134 LYS HE2 . 27051 1 1392 . 1 1 136 136 LYS HE3 H 1 2.939 0.020 . 1 . . . . . 134 LYS HE3 . 27051 1 1393 . 1 1 136 136 LYS C C 13 177.219 0.3 . 1 . . . . . 134 LYS C . 27051 1 1394 . 1 1 136 136 LYS CA C 13 56.417 0.3 . 1 . . . . . 134 LYS CA . 27051 1 1395 . 1 1 136 136 LYS CB C 13 32.909 0.3 . 1 . . . . . 134 LYS CB . 27051 1 1396 . 1 1 136 136 LYS CG C 13 25.565 0.3 . 1 . . . . . 134 LYS CG . 27051 1 1397 . 1 1 136 136 LYS CD C 13 27.835 0.3 . 1 . . . . . 134 LYS CD . 27051 1 1398 . 1 1 136 136 LYS CE C 13 44.547 0.3 . 1 . . . . . 134 LYS CE . 27051 1 1399 . 1 1 136 136 LYS N N 15 124.038 0.3 . 1 . . . . . 134 LYS N . 27051 1 1400 . 1 1 137 137 VAL H H 1 8.281 0.020 . 1 . . . . . 135 VAL H . 27051 1 1401 . 1 1 137 137 VAL HA H 1 4.230 0.020 . 1 . . . . . 135 VAL HA . 27051 1 1402 . 1 1 137 137 VAL HB H 1 2.100 0.020 . 1 . . . . . 135 VAL HB . 27051 1 1403 . 1 1 137 137 VAL HG11 H 1 1.020 0.020 . 1 . . . . . 135 VAL HG1 . 27051 1 1404 . 1 1 137 137 VAL HG12 H 1 1.020 0.020 . 1 . . . . . 135 VAL HG1 . 27051 1 1405 . 1 1 137 137 VAL HG13 H 1 1.020 0.020 . 1 . . . . . 135 VAL HG1 . 27051 1 1406 . 1 1 137 137 VAL HG21 H 1 1.020 0.020 . 1 . . . . . 135 VAL HG2 . 27051 1 1407 . 1 1 137 137 VAL HG22 H 1 1.020 0.020 . 1 . . . . . 135 VAL HG2 . 27051 1 1408 . 1 1 137 137 VAL HG23 H 1 1.020 0.020 . 1 . . . . . 135 VAL HG2 . 27051 1 1409 . 1 1 137 137 VAL C C 13 176.268 0.3 . 1 . . . . . 135 VAL C . 27051 1 1410 . 1 1 137 137 VAL CA C 13 62.877 0.3 . 1 . . . . . 135 VAL CA . 27051 1 1411 . 1 1 137 137 VAL CB C 13 33.922 0.3 . 1 . . . . . 135 VAL CB . 27051 1 1412 . 1 1 137 137 VAL CG1 C 13 21.785 0.3 . 1 . . . . . 135 VAL CG1 . 27051 1 1413 . 1 1 137 137 VAL CG2 C 13 20.560 0.3 . 1 . . . . . 135 VAL CG2 . 27051 1 1414 . 1 1 137 137 VAL N N 15 120.755 0.3 . 1 . . . . . 135 VAL N . 27051 1 1415 . 1 1 138 138 ASN H H 1 8.639 0.020 . 1 . . . . . 136 ASN H . 27051 1 1416 . 1 1 138 138 ASN HA H 1 4.824 0.020 . 1 . . . . . 136 ASN HA . 27051 1 1417 . 1 1 138 138 ASN HB2 H 1 2.821 0.020 . 1 . . . . . 136 ASN HB2 . 27051 1 1418 . 1 1 138 138 ASN HB3 H 1 2.821 0.020 . 1 . . . . . 136 ASN HB3 . 27051 1 1419 . 1 1 138 138 ASN HD21 H 1 7.665 0.020 . 1 . . . . . 136 ASN HD21 . 27051 1 1420 . 1 1 138 138 ASN HD22 H 1 7.014 0.020 . 1 . . . . . 136 ASN HD22 . 27051 1 1421 . 1 1 138 138 ASN C C 13 175.519 0.3 . 1 . . . . . 136 ASN C . 27051 1 1422 . 1 1 138 138 ASN CA C 13 53.959 0.3 . 1 . . . . . 136 ASN CA . 27051 1 1423 . 1 1 138 138 ASN CB C 13 39.926 0.3 . 1 . . . . . 136 ASN CB . 27051 1 1424 . 1 1 138 138 ASN N N 15 122.739 0.3 . 1 . . . . . 136 ASN N . 27051 1 1425 . 1 1 138 138 ASN ND2 N 15 112.780 0.3 . 1 . . . . . 136 ASN ND2 . 27051 1 1426 . 1 1 139 139 VAL H H 1 8.255 0.020 . 1 . . . . . 137 VAL H . 27051 1 1427 . 1 1 139 139 VAL HA H 1 4.304 0.020 . 1 . . . . . 137 VAL HA . 27051 1 1428 . 1 1 139 139 VAL HB H 1 2.174 0.020 . 1 . . . . . 137 VAL HB . 27051 1 1429 . 1 1 139 139 VAL HG11 H 1 0.993 0.020 . 1 . . . . . 137 VAL HG1 . 27051 1 1430 . 1 1 139 139 VAL HG12 H 1 0.993 0.020 . 1 . . . . . 137 VAL HG1 . 27051 1 1431 . 1 1 139 139 VAL HG13 H 1 0.993 0.020 . 1 . . . . . 137 VAL HG1 . 27051 1 1432 . 1 1 139 139 VAL HG21 H 1 0.993 0.020 . 1 . . . . . 137 VAL HG2 . 27051 1 1433 . 1 1 139 139 VAL HG22 H 1 0.993 0.020 . 1 . . . . . 137 VAL HG2 . 27051 1 1434 . 1 1 139 139 VAL HG23 H 1 0.993 0.020 . 1 . . . . . 137 VAL HG2 . 27051 1 1435 . 1 1 139 139 VAL C C 13 176.810 0.3 . 1 . . . . . 137 VAL C . 27051 1 1436 . 1 1 139 139 VAL CA C 13 62.879 0.3 . 1 . . . . . 137 VAL CA . 27051 1 1437 . 1 1 139 139 VAL CB C 13 34.221 0.3 . 1 . . . . . 137 VAL CB . 27051 1 1438 . 1 1 139 139 VAL CG1 C 13 21.803 0.3 . 1 . . . . . 137 VAL CG1 . 27051 1 1439 . 1 1 139 139 VAL CG2 C 13 20.876 0.3 . 1 . . . . . 137 VAL CG2 . 27051 1 1440 . 1 1 139 139 VAL N N 15 120.648 0.3 . 1 . . . . . 137 VAL N . 27051 1 1441 . 1 1 140 140 THR H H 1 8.393 0.020 . 1 . . . . . 138 THR H . 27051 1 1442 . 1 1 140 140 THR HA H 1 4.457 0.020 . 1 . . . . . 138 THR HA . 27051 1 1443 . 1 1 140 140 THR HB H 1 4.234 0.020 . 1 . . . . . 138 THR HB . 27051 1 1444 . 1 1 140 140 THR HG21 H 1 1.270 0.020 . 1 . . . . . 138 THR HG2 . 27051 1 1445 . 1 1 140 140 THR HG22 H 1 1.270 0.020 . 1 . . . . . 138 THR HG2 . 27051 1 1446 . 1 1 140 140 THR HG23 H 1 1.270 0.020 . 1 . . . . . 138 THR HG2 . 27051 1 1447 . 1 1 140 140 THR C C 13 174.754 0.3 . 1 . . . . . 138 THR C . 27051 1 1448 . 1 1 140 140 THR CA C 13 62.845 0.3 . 1 . . . . . 138 THR CA . 27051 1 1449 . 1 1 140 140 THR CB C 13 70.736 0.3 . 1 . . . . . 138 THR CB . 27051 1 1450 . 1 1 140 140 THR CG2 C 13 22.497 0.3 . 1 . . . . . 138 THR CG2 . 27051 1 1451 . 1 1 140 140 THR N N 15 118.918 0.3 . 1 . . . . . 138 THR N . 27051 1 1452 . 1 1 141 141 ILE H H 1 8.327 0.020 . 1 . . . . . 139 ILE H . 27051 1 1453 . 1 1 141 141 ILE HA H 1 4.297 0.020 . 1 . . . . . 139 ILE HA . 27051 1 1454 . 1 1 141 141 ILE HB H 1 1.957 0.020 . 1 . . . . . 139 ILE HB . 27051 1 1455 . 1 1 141 141 ILE HG12 H 1 1.242 0.020 . 1 . . . . . 139 ILE HG12 . 27051 1 1456 . 1 1 141 141 ILE HG13 H 1 1.242 0.020 . 1 . . . . . 139 ILE HG13 . 27051 1 1457 . 1 1 141 141 ILE HG21 H 1 1.063 0.020 . 1 . . . . . 139 ILE HG2 . 27051 1 1458 . 1 1 141 141 ILE HG22 H 1 1.063 0.020 . 1 . . . . . 139 ILE HG2 . 27051 1 1459 . 1 1 141 141 ILE HG23 H 1 1.063 0.020 . 1 . . . . . 139 ILE HG2 . 27051 1 1460 . 1 1 141 141 ILE HD11 H 1 0.933 0.020 . 1 . . . . . 139 ILE HD1 . 27051 1 1461 . 1 1 141 141 ILE HD12 H 1 0.933 0.020 . 1 . . . . . 139 ILE HD1 . 27051 1 1462 . 1 1 141 141 ILE HD13 H 1 0.933 0.020 . 1 . . . . . 139 ILE HD1 . 27051 1 1463 . 1 1 141 141 ILE C C 13 175.722 0.3 . 1 . . . . . 139 ILE C . 27051 1 1464 . 1 1 141 141 ILE CA C 13 61.705 0.3 . 1 . . . . . 139 ILE CA . 27051 1 1465 . 1 1 141 141 ILE CB C 13 39.691 0.3 . 1 . . . . . 139 ILE CB . 27051 1 1466 . 1 1 141 141 ILE CG1 C 13 27.764 0.3 . 1 . . . . . 139 ILE CG1 . 27051 1 1467 . 1 1 141 141 ILE CG2 C 13 18.653 0.3 . 1 . . . . . 139 ILE CG2 . 27051 1 1468 . 1 1 141 141 ILE CD1 C 13 13.677 0.3 . 1 . . . . . 139 ILE CD1 . 27051 1 1469 . 1 1 141 141 ILE N N 15 123.870 0.3 . 1 . . . . . 139 ILE N . 27051 1 1470 . 1 1 142 142 ASN H H 1 8.119 0.020 . 1 . . . . . 140 ASN H . 27051 1 1471 . 1 1 142 142 ASN HA H 1 4.555 0.020 . 1 . . . . . 140 ASN HA . 27051 1 1472 . 1 1 142 142 ASN HB2 H 1 2.742 0.020 . 1 . . . . . 140 ASN HB2 . 27051 1 1473 . 1 1 142 142 ASN HB3 H 1 2.742 0.020 . 1 . . . . . 140 ASN HB3 . 27051 1 1474 . 1 1 142 142 ASN C C 13 180.020 0.3 . 1 . . . . . 140 ASN C . 27051 1 1475 . 1 1 142 142 ASN CA C 13 55.619 0.3 . 1 . . . . . 140 ASN CA . 27051 1 1476 . 1 1 142 142 ASN CB C 13 41.535 0.3 . 1 . . . . . 140 ASN CB . 27051 1 1477 . 1 1 142 142 ASN N N 15 127.955 0.3 . 1 . . . . . 140 ASN N . 27051 1 stop_ save_