data_15266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15266 _Entry.Title ; 1H, 13C, and 15N Backbone Resonance Assignments of the Carboxyl Terminal Domain of Connexin40 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-24 _Entry.Accession_date 2007-05-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Denis Bouvier . . . 15266 2 Fabien Kieken . . . 15266 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Nebraska Medical Center' . 15266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 15266 '15N chemical shifts' 98 15266 '1H chemical shifts' 692 15266 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 3 . . 2009-08-31 2005-05-24 update BMRB 'correct entry citation' 15266 2 . . 2008-01-29 2005-05-24 update BMRB 'complete entry citation' 15266 1 . . 2007-09-17 2005-05-24 original author 'original release' 15266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636853 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N backbone resonance assignments of the carboxyl terminal domain of Connexin40' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _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 155 _Citation.Page_last 157 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Denis Bouvier . . . 15266 1 2 Fabien Kieken . . . 15266 1 3 Paul Sorgen . L. . 15266 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cx40 15266 1 'gap junction' 15266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15266 _Assembly.ID 1 _Assembly.Name 'Connexin40 Carboxyl Terminal Domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Connexin40 1 $Connexin43 A . yes native no no . . . 15266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Connexin43 _Entity.Sf_category entity _Entity.Sf_framecode Connexin43 _Entity.Entry_ID 15266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Connexin43 _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 ; GPLGSTSLVQGLTPPPDFNQ CLKNSPDEKFFSDFSNNMGS RKNPDPLATEEVPNQEQIPE EGFIHTQYGQKPEQPSGASA GHRFPQGYHSDKRRLSKASS KARSDDLSV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K7M . "Structure Of The Connexin40 Carboxyl Terminal Domain" . . . . . 100.00 109 100.00 100.00 1.88e-72 . . . . 15266 1 2 no GB AAA41000 . "connexin [Rattus norvegicus]" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 3 no GB AAA41194 . "connexin 40 [Rattus norvegicus]" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 4 no GB AAC53502 . "connexin 40 [Rattus norvegicus]" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 5 no GB AAC53503 . "connexin 40 [Rattus norvegicus]" . . . . . 96.33 159 100.00 100.00 2.04e-69 . . . . 15266 1 6 no GB AAH70935 . "Gja5 protein [Rattus norvegicus]" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 7 no REF NP_062153 . "gap junction alpha-5 protein [Rattus norvegicus]" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 8 no REF XP_008759550 . "PREDICTED: gap junction alpha-5 protein isoform X1 [Rattus norvegicus]" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 9 no SP P28234 . "RecName: Full=Gap junction alpha-5 protein; AltName: Full=Connexin-40; Short=Cx40" . . . . . 96.33 356 100.00 100.00 2.36e-68 . . . . 15266 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15266 1 2 . PRO . 15266 1 3 . LEU . 15266 1 4 . GLY . 15266 1 5 . SER . 15266 1 6 . THR . 15266 1 7 . SER . 15266 1 8 . LEU . 15266 1 9 . VAL . 15266 1 10 . GLN . 15266 1 11 . GLY . 15266 1 12 . LEU . 15266 1 13 . THR . 15266 1 14 . PRO . 15266 1 15 . PRO . 15266 1 16 . PRO . 15266 1 17 . ASP . 15266 1 18 . PHE . 15266 1 19 . ASN . 15266 1 20 . GLN . 15266 1 21 . CYS . 15266 1 22 . LEU . 15266 1 23 . LYS . 15266 1 24 . ASN . 15266 1 25 . SER . 15266 1 26 . PRO . 15266 1 27 . ASP . 15266 1 28 . GLU . 15266 1 29 . LYS . 15266 1 30 . PHE . 15266 1 31 . PHE . 15266 1 32 . SER . 15266 1 33 . ASP . 15266 1 34 . PHE . 15266 1 35 . SER . 15266 1 36 . ASN . 15266 1 37 . ASN . 15266 1 38 . MET . 15266 1 39 . GLY . 15266 1 40 . SER . 15266 1 41 . ARG . 15266 1 42 . LYS . 15266 1 43 . ASN . 15266 1 44 . PRO . 15266 1 45 . ASP . 15266 1 46 . PRO . 15266 1 47 . LEU . 15266 1 48 . ALA . 15266 1 49 . THR . 15266 1 50 . GLU . 15266 1 51 . GLU . 15266 1 52 . VAL . 15266 1 53 . PRO . 15266 1 54 . ASN . 15266 1 55 . GLN . 15266 1 56 . GLU . 15266 1 57 . GLN . 15266 1 58 . ILE . 15266 1 59 . PRO . 15266 1 60 . GLU . 15266 1 61 . GLU . 15266 1 62 . GLY . 15266 1 63 . PHE . 15266 1 64 . ILE . 15266 1 65 . HIS . 15266 1 66 . THR . 15266 1 67 . GLN . 15266 1 68 . TYR . 15266 1 69 . GLY . 15266 1 70 . GLN . 15266 1 71 . LYS . 15266 1 72 . PRO . 15266 1 73 . GLU . 15266 1 74 . GLN . 15266 1 75 . PRO . 15266 1 76 . SER . 15266 1 77 . GLY . 15266 1 78 . ALA . 15266 1 79 . SER . 15266 1 80 . ALA . 15266 1 81 . GLY . 15266 1 82 . HIS . 15266 1 83 . ARG . 15266 1 84 . PHE . 15266 1 85 . PRO . 15266 1 86 . GLN . 15266 1 87 . GLY . 15266 1 88 . TYR . 15266 1 89 . HIS . 15266 1 90 . SER . 15266 1 91 . ASP . 15266 1 92 . LYS . 15266 1 93 . ARG . 15266 1 94 . ARG . 15266 1 95 . LEU . 15266 1 96 . SER . 15266 1 97 . LYS . 15266 1 98 . ALA . 15266 1 99 . SER . 15266 1 100 . SER . 15266 1 101 . LYS . 15266 1 102 . ALA . 15266 1 103 . ARG . 15266 1 104 . SER . 15266 1 105 . ASP . 15266 1 106 . ASP . 15266 1 107 . LEU . 15266 1 108 . SER . 15266 1 109 . VAL . 15266 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15266 1 . PRO 2 2 15266 1 . LEU 3 3 15266 1 . GLY 4 4 15266 1 . SER 5 5 15266 1 . THR 6 6 15266 1 . SER 7 7 15266 1 . LEU 8 8 15266 1 . VAL 9 9 15266 1 . GLN 10 10 15266 1 . GLY 11 11 15266 1 . LEU 12 12 15266 1 . THR 13 13 15266 1 . PRO 14 14 15266 1 . PRO 15 15 15266 1 . PRO 16 16 15266 1 . ASP 17 17 15266 1 . PHE 18 18 15266 1 . ASN 19 19 15266 1 . GLN 20 20 15266 1 . CYS 21 21 15266 1 . LEU 22 22 15266 1 . LYS 23 23 15266 1 . ASN 24 24 15266 1 . SER 25 25 15266 1 . PRO 26 26 15266 1 . ASP 27 27 15266 1 . GLU 28 28 15266 1 . LYS 29 29 15266 1 . PHE 30 30 15266 1 . PHE 31 31 15266 1 . SER 32 32 15266 1 . ASP 33 33 15266 1 . PHE 34 34 15266 1 . SER 35 35 15266 1 . ASN 36 36 15266 1 . ASN 37 37 15266 1 . MET 38 38 15266 1 . GLY 39 39 15266 1 . SER 40 40 15266 1 . ARG 41 41 15266 1 . LYS 42 42 15266 1 . ASN 43 43 15266 1 . PRO 44 44 15266 1 . ASP 45 45 15266 1 . PRO 46 46 15266 1 . LEU 47 47 15266 1 . ALA 48 48 15266 1 . THR 49 49 15266 1 . GLU 50 50 15266 1 . GLU 51 51 15266 1 . VAL 52 52 15266 1 . PRO 53 53 15266 1 . ASN 54 54 15266 1 . GLN 55 55 15266 1 . GLU 56 56 15266 1 . GLN 57 57 15266 1 . ILE 58 58 15266 1 . PRO 59 59 15266 1 . GLU 60 60 15266 1 . GLU 61 61 15266 1 . GLY 62 62 15266 1 . PHE 63 63 15266 1 . ILE 64 64 15266 1 . HIS 65 65 15266 1 . THR 66 66 15266 1 . GLN 67 67 15266 1 . TYR 68 68 15266 1 . GLY 69 69 15266 1 . GLN 70 70 15266 1 . LYS 71 71 15266 1 . PRO 72 72 15266 1 . GLU 73 73 15266 1 . GLN 74 74 15266 1 . PRO 75 75 15266 1 . SER 76 76 15266 1 . GLY 77 77 15266 1 . ALA 78 78 15266 1 . SER 79 79 15266 1 . ALA 80 80 15266 1 . GLY 81 81 15266 1 . HIS 82 82 15266 1 . ARG 83 83 15266 1 . PHE 84 84 15266 1 . PRO 85 85 15266 1 . GLN 86 86 15266 1 . GLY 87 87 15266 1 . TYR 88 88 15266 1 . HIS 89 89 15266 1 . SER 90 90 15266 1 . ASP 91 91 15266 1 . LYS 92 92 15266 1 . ARG 93 93 15266 1 . ARG 94 94 15266 1 . LEU 95 95 15266 1 . SER 96 96 15266 1 . LYS 97 97 15266 1 . ALA 98 98 15266 1 . SER 99 99 15266 1 . SER 100 100 15266 1 . LYS 101 101 15266 1 . ALA 102 102 15266 1 . ARG 103 103 15266 1 . SER 104 104 15266 1 . ASP 105 105 15266 1 . ASP 106 106 15266 1 . LEU 107 107 15266 1 . SER 108 108 15266 1 . VAL 109 109 15266 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 15266 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Connexin43 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15266 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 15266 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Connexin43 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P-2 . . . . . . 15266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15266 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Connexin40 '[U-98% 13C; U-98% 15N]' . . 1 $Connexin43 . . 1 . . mM . . . . 15266 1 2 Phosphate 'natural abundance' . . . . . . 11.9 . . mM . . . . 15266 1 3 'Sodium Chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 15266 1 4 'Potassium Chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 15266 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 15266 _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' 150 . mM 15266 1 pH 6.0 . pH 15266 1 pressure 1 . atm 15266 1 temperature 280 . K 15266 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15266 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15266 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15266 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15266 2 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 15266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15266 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15266 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 15266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15266 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 15266 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.958 internal indirect 0.101329118 . . . . . . . . . 15266 1 H 1 water protons . . . . ppm 4.958 internal direct 1.0 . . . . . . . . . 15266 1 N 15 water protons . . . . ppm 4.958 internal indirect 0.251449530 . . . . . . . . . 15266 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 15266 _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' . . . 15266 1 2 '2D 1H-13C HSQC' . . . 15266 1 3 '3D CBCA(CO)NH' . . . 15266 1 4 '3D C(CO)NH' . . . 15266 1 5 '3D HNCO' . . . 15266 1 6 '3D HNCA' . . . 15266 1 7 '3D HNCACB' . . . 15266 1 9 '3D HCCH-TOCSY' . . . 15266 1 9 '3D HCCH-TOCSY' . . . 15266 1 11 '3D 1H-15N NOESY' . . . 15266 1 12 '3D 1H-15N TOCSY' . . . 15266 1 13 '3D HNHA' . . . 15266 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.464 0.05 . 1 . . . . 2 P HA . 15266 1 2 . 1 1 2 2 PRO CA C 13 63.168 0.3 . 1 . . . . 2 P CA . 15266 1 3 . 1 1 2 2 PRO CB C 13 32.530 0.3 . 1 . . . . 2 P CB . 15266 1 4 . 1 1 3 3 LEU H H 1 8.650 0.05 . 1 . . . . 3 L HN . 15266 1 5 . 1 1 3 3 LEU HA H 1 4.311 0.05 . 1 . . . . 3 L HA . 15266 1 6 . 1 1 3 3 LEU HB2 H 1 1.661 0.05 . 2 . . . . 3 L HB1 . 15266 1 7 . 1 1 3 3 LEU HB3 H 1 1.661 0.05 . 2 . . . . 3 L HB2 . 15266 1 8 . 1 1 3 3 LEU HD11 H 1 0.873 0.05 . 2 . . . . 3 L HD11 . 15266 1 9 . 1 1 3 3 LEU HD12 H 1 0.873 0.05 . 2 . . . . 3 L HD11 . 15266 1 10 . 1 1 3 3 LEU HD13 H 1 0.873 0.05 . 2 . . . . 3 L HD11 . 15266 1 11 . 1 1 3 3 LEU HD21 H 1 0.908 0.05 . 2 . . . . 3 L HD21 . 15266 1 12 . 1 1 3 3 LEU HD22 H 1 0.908 0.05 . 2 . . . . 3 L HD21 . 15266 1 13 . 1 1 3 3 LEU HD23 H 1 0.908 0.05 . 2 . . . . 3 L HD21 . 15266 1 14 . 1 1 3 3 LEU HG H 1 1.661 0.05 . 1 . . . . 3 L HG . 15266 1 15 . 1 1 3 3 LEU C C 13 172.990 0.3 . 1 . . . . 3 L C . 15266 1 16 . 1 1 3 3 LEU CA C 13 55.660 0.3 . 1 . . . . 3 L CA . 15266 1 17 . 1 1 3 3 LEU CB C 13 41.900 0.3 . 1 . . . . 3 L CB . 15266 1 18 . 1 1 3 3 LEU CD1 C 13 25.100 0.3 . 1 . . . . 3 L CD1 . 15266 1 19 . 1 1 3 3 LEU CD2 C 13 23.500 0.3 . 1 . . . . 3 L CD2 . 15266 1 20 . 1 1 3 3 LEU CG C 13 26.800 0.3 . 1 . . . . 3 L CG . 15266 1 21 . 1 1 3 3 LEU N N 15 122.800 0.3 . 1 . . . . 3 L N . 15266 1 22 . 1 1 4 4 GLY H H 1 8.520 0.05 . 1 . . . . 4 G HN . 15266 1 23 . 1 1 4 4 GLY HA2 H 1 3.944 0.05 . 2 . . . . 4 G HA1 . 15266 1 24 . 1 1 4 4 GLY HA3 H 1 3.944 0.05 . 2 . . . . 4 G HA2 . 15266 1 25 . 1 1 4 4 GLY C C 13 176.870 0.3 . 1 . . . . 4 G C . 15266 1 26 . 1 1 4 4 GLY CA C 13 45.010 0.3 . 1 . . . . 4 G CA . 15266 1 27 . 1 1 4 4 GLY N N 15 110.220 0.3 . 1 . . . . 4 G N . 15266 1 28 . 1 1 5 5 SER H H 1 8.310 0.05 . 1 . . . . 5 S HN . 15266 1 29 . 1 1 5 5 SER HA H 1 4.510 0.05 . 1 . . . . 5 S HA . 15266 1 30 . 1 1 5 5 SER HB2 H 1 3.885 0.05 . 2 . . . . 5 S HB1 . 15266 1 31 . 1 1 5 5 SER HB3 H 1 3.847 0.05 . 2 . . . . 5 S HB2 . 15266 1 32 . 1 1 5 5 SER C C 13 175.970 0.3 . 1 . . . . 5 S C . 15266 1 33 . 1 1 5 5 SER CA C 13 58.160 0.3 . 1 . . . . 5 S CA . 15266 1 34 . 1 1 5 5 SER CB C 13 63.770 0.3 . 1 . . . . 5 S CB . 15266 1 35 . 1 1 5 5 SER N N 15 115.730 0.3 . 1 . . . . 5 S N . 15266 1 36 . 1 1 6 6 THR H H 1 8.350 0.05 . 1 . . . . 6 T HN . 15266 1 37 . 1 1 6 6 THR HA H 1 4.400 0.05 . 1 . . . . 6 T HA . 15266 1 38 . 1 1 6 6 THR HB H 1 4.242 0.05 . 1 . . . . 6 T HB . 15266 1 39 . 1 1 6 6 THR HG21 H 1 1.191 0.05 . 1 . . . . 6 T HG21 . 15266 1 40 . 1 1 6 6 THR HG22 H 1 1.191 0.05 . 1 . . . . 6 T HG21 . 15266 1 41 . 1 1 6 6 THR HG23 H 1 1.191 0.05 . 1 . . . . 6 T HG21 . 15266 1 42 . 1 1 6 6 THR C C 13 176.490 0.3 . 1 . . . . 6 T C . 15266 1 43 . 1 1 6 6 THR CA C 13 61.900 0.3 . 1 . . . . 6 T CA . 15266 1 44 . 1 1 6 6 THR CB C 13 69.768 0.3 . 1 . . . . 6 T CB . 15266 1 45 . 1 1 6 6 THR CG2 C 13 21.300 0.3 . 1 . . . . 6 T CG2 . 15266 1 46 . 1 1 6 6 THR N N 15 116.090 0.3 . 1 . . . . 6 T N . 15266 1 47 . 1 1 7 7 SER H H 1 8.370 0.05 . 1 . . . . 7 S HN . 15266 1 48 . 1 1 7 7 SER HA H 1 4.450 0.05 . 1 . . . . 7 S HA . 15266 1 49 . 1 1 7 7 SER HB2 H 1 3.794 0.05 . 2 . . . . 7 S HB1 . 15266 1 50 . 1 1 7 7 SER HB3 H 1 3.877 0.05 . 2 . . . . 7 S HB2 . 15266 1 51 . 1 1 7 7 SER C C 13 176.600 0.3 . 1 . . . . 7 S C . 15266 1 52 . 1 1 7 7 SER CA C 13 58.150 0.3 . 1 . . . . 7 S CA . 15266 1 53 . 1 1 7 7 SER CB C 13 63.770 0.3 . 1 . . . . 7 S CB . 15266 1 54 . 1 1 7 7 SER N N 15 118.390 0.3 . 1 . . . . 7 S N . 15266 1 55 . 1 1 8 8 LEU H H 1 8.370 0.05 . 1 . . . . 8 L HN . 15266 1 56 . 1 1 8 8 LEU HA H 1 4.350 0.05 . 1 . . . . 8 L HA . 15266 1 57 . 1 1 8 8 LEU HB2 H 1 1.587 0.05 . 2 . . . . 8 L HB1 . 15266 1 58 . 1 1 8 8 LEU HB3 H 1 1.587 0.05 . 2 . . . . 8 L HB2 . 15266 1 59 . 1 1 8 8 LEU HD11 H 1 0.890 0.05 . 2 . . . . 8 L HD11 . 15266 1 60 . 1 1 8 8 LEU HD12 H 1 0.890 0.05 . 2 . . . . 8 L HD11 . 15266 1 61 . 1 1 8 8 LEU HD13 H 1 0.890 0.05 . 2 . . . . 8 L HD11 . 15266 1 62 . 1 1 8 8 LEU HD21 H 1 0.827 0.05 . 2 . . . . 8 L HD21 . 15266 1 63 . 1 1 8 8 LEU HD22 H 1 0.827 0.05 . 2 . . . . 8 L HD21 . 15266 1 64 . 1 1 8 8 LEU HD23 H 1 0.827 0.05 . 2 . . . . 8 L HD21 . 15266 1 65 . 1 1 8 8 LEU HG H 1 1.600 0.05 . 1 . . . . 8 L HG . 15266 1 66 . 1 1 8 8 LEU C C 13 173.600 0.3 . 1 . . . . 8 L C . 15266 1 67 . 1 1 8 8 LEU CA C 13 55.030 0.3 . 1 . . . . 8 L CA . 15266 1 68 . 1 1 8 8 LEU CB C 13 42.520 0.3 . 1 . . . . 8 L CB . 15266 1 69 . 1 1 8 8 LEU CD1 C 13 25.100 0.3 . 1 . . . . 8 L CD1 . 15266 1 70 . 1 1 8 8 LEU CD2 C 13 23.300 0.3 . 1 . . . . 8 L CD2 . 15266 1 71 . 1 1 8 8 LEU CG C 13 26.800 0.3 . 1 . . . . 8 L CG . 15266 1 72 . 1 1 8 8 LEU N N 15 124.610 0.3 . 1 . . . . 8 L N . 15266 1 73 . 1 1 9 9 VAL H H 1 8.190 0.05 . 1 . . . . 9 V HN . 15266 1 74 . 1 1 9 9 VAL HA H 1 4.060 0.05 . 1 . . . . 9 V HA . 15266 1 75 . 1 1 9 9 VAL HB H 1 2.022 0.05 . 1 . . . . 9 V HB . 15266 1 76 . 1 1 9 9 VAL HG21 H 1 0.886 0.05 . 2 . . . . 9 V HG21 . 15266 1 77 . 1 1 9 9 VAL HG22 H 1 0.886 0.05 . 2 . . . . 9 V HG21 . 15266 1 78 . 1 1 9 9 VAL HG23 H 1 0.886 0.05 . 2 . . . . 9 V HG21 . 15266 1 79 . 1 1 9 9 VAL C C 13 174.930 0.3 . 1 . . . . 9 V C . 15266 1 80 . 1 1 9 9 VAL CA C 13 62.520 0.3 . 1 . . . . 9 V CA . 15266 1 81 . 1 1 9 9 VAL CB C 13 32.520 0.3 . 1 . . . . 9 V CB . 15266 1 82 . 1 1 9 9 VAL CG2 C 13 21.000 0.3 . 1 . . . . 9 V CG2 . 15266 1 83 . 1 1 9 9 VAL N N 15 121.720 0.3 . 1 . . . . 9 V N . 15266 1 84 . 1 1 10 10 GLN H H 1 8.570 0.05 . 1 . . . . 10 Q HN . 15266 1 85 . 1 1 10 10 GLN HA H 1 4.290 0.05 . 1 . . . . 10 Q HA . 15266 1 86 . 1 1 10 10 GLN HB2 H 1 1.980 0.05 . 2 . . . . 10 Q HB1 . 15266 1 87 . 1 1 10 10 GLN HB3 H 1 2.047 0.05 . 2 . . . . 10 Q HB2 . 15266 1 88 . 1 1 10 10 GLN HE21 H 1 7.082 0.05 . 2 . . . . 10 Q HE21 . 15266 1 89 . 1 1 10 10 GLN HE22 H 1 7.520 0.05 . 2 . . . . 10 Q HE22 . 15266 1 90 . 1 1 10 10 GLN HG2 H 1 2.349 0.05 . 2 . . . . 10 Q HG1 . 15266 1 91 . 1 1 10 10 GLN HG3 H 1 2.349 0.05 . 2 . . . . 10 Q HG2 . 15266 1 92 . 1 1 10 10 GLN C C 13 174.740 0.3 . 1 . . . . 10 Q C . 15266 1 93 . 1 1 10 10 GLN CA C 13 56.220 0.3 . 1 . . . . 10 Q CA . 15266 1 94 . 1 1 10 10 GLN CB C 13 29.400 0.3 . 1 . . . . 10 Q CB . 15266 1 95 . 1 1 10 10 GLN CG C 13 33.500 0.3 . 1 . . . . 10 Q CG . 15266 1 96 . 1 1 10 10 GLN N N 15 125.020 0.3 . 1 . . . . 10 Q N . 15266 1 97 . 1 1 11 11 GLY H H 1 8.500 0.05 . 1 . . . . 11 G HN . 15266 1 98 . 1 1 11 11 GLY HA2 H 1 3.970 0.05 . 2 . . . . 11 G HA1 . 15266 1 99 . 1 1 11 11 GLY HA3 H 1 3.970 0.05 . 2 . . . . 11 G HA2 . 15266 1 100 . 1 1 11 11 GLY C C 13 177.280 0.3 . 1 . . . . 11 G C . 15266 1 101 . 1 1 11 11 GLY CA C 13 45.050 0.3 . 1 . . . . 11 G CA . 15266 1 102 . 1 1 11 11 GLY N N 15 110.440 0.3 . 1 . . . . 11 G N . 15266 1 103 . 1 1 12 12 LEU H H 1 8.200 0.05 . 1 . . . . 12 L HN . 15266 1 104 . 1 1 12 12 LEU HA H 1 4.410 0.05 . 1 . . . . 12 L HA . 15266 1 105 . 1 1 12 12 LEU HB2 H 1 1.581 0.05 . 2 . . . . 12 L HB1 . 15266 1 106 . 1 1 12 12 LEU HB3 H 1 1.581 0.05 . 2 . . . . 12 L HB2 . 15266 1 107 . 1 1 12 12 LEU HD11 H 1 0.845 0.05 . 2 . . . . 12 L HD11 . 15266 1 108 . 1 1 12 12 LEU HD12 H 1 0.845 0.05 . 2 . . . . 12 L HD11 . 15266 1 109 . 1 1 12 12 LEU HD13 H 1 0.845 0.05 . 2 . . . . 12 L HD11 . 15266 1 110 . 1 1 12 12 LEU HD21 H 1 0.845 0.05 . 2 . . . . 12 L HD21 . 15266 1 111 . 1 1 12 12 LEU HD22 H 1 0.845 0.05 . 2 . . . . 12 L HD21 . 15266 1 112 . 1 1 12 12 LEU HD23 H 1 0.845 0.05 . 2 . . . . 12 L HD21 . 15266 1 113 . 1 1 12 12 LEU HG H 1 1.610 0.05 . 1 . . . . 12 L HG . 15266 1 114 . 1 1 12 12 LEU C C 13 173.570 0.3 . 1 . . . . 12 L C . 15266 1 115 . 1 1 12 12 LEU CA C 13 55.020 0.3 . 1 . . . . 12 L CA . 15266 1 116 . 1 1 12 12 LEU CB C 13 42.520 0.3 . 1 . . . . 12 L CB . 15266 1 117 . 1 1 12 12 LEU CD1 C 13 25.000 0.3 . 1 . . . . 12 L CD1 . 15266 1 118 . 1 1 12 12 LEU CD2 C 13 23.300 0.3 . 1 . . . . 12 L CD2 . 15266 1 119 . 1 1 12 12 LEU CG C 13 26.800 0.3 . 1 . . . . 12 L CG . 15266 1 120 . 1 1 12 12 LEU N N 15 121.570 0.3 . 1 . . . . 12 L N . 15266 1 121 . 1 1 13 13 THR H H 1 8.350 0.05 . 1 . . . . 13 T HN . 15266 1 122 . 1 1 13 13 THR HA H 1 4.522 0.05 . 1 . . . . 13 T HA . 15266 1 123 . 1 1 13 13 THR HB H 1 4.055 0.05 . 1 . . . . 13 T HB . 15266 1 124 . 1 1 13 13 THR HG21 H 1 1.181 0.05 . 1 . . . . 13 T HG21 . 15266 1 125 . 1 1 13 13 THR HG22 H 1 1.181 0.05 . 1 . . . . 13 T HG21 . 15266 1 126 . 1 1 13 13 THR HG23 H 1 1.181 0.05 . 1 . . . . 13 T HG21 . 15266 1 127 . 1 1 13 13 THR C C 13 176.680 0.3 . 1 . . . . 13 T C . 15266 1 128 . 1 1 13 13 THR CA C 13 59.960 0.3 . 1 . . . . 13 T CA . 15266 1 129 . 1 1 13 13 THR CB C 13 69.440 0.3 . 1 . . . . 13 T CB . 15266 1 130 . 1 1 13 13 THR CG2 C 13 21.100 0.3 . 1 . . . . 13 T CG2 . 15266 1 131 . 1 1 13 13 THR N N 15 118.740 0.3 . 1 . . . . 13 T N . 15266 1 132 . 1 1 14 14 PRO HA H 1 4.655 0.05 . 1 . . . . 14 P HA . 15266 1 133 . 1 1 14 14 PRO HB2 H 1 1.674 0.05 . 2 . . . . 14 P HB1 . 15266 1 134 . 1 1 14 14 PRO HB3 H 1 2.140 0.05 . 2 . . . . 14 P HB2 . 15266 1 135 . 1 1 14 14 PRO HD2 H 1 3.525 0.05 . 2 . . . . 14 P HD1 . 15266 1 136 . 1 1 14 14 PRO HD3 H 1 3.796 0.05 . 2 . . . . 14 P HD2 . 15266 1 137 . 1 1 14 14 PRO HG2 H 1 1.888 0.05 . 2 . . . . 14 P HG1 . 15266 1 138 . 1 1 14 14 PRO HG3 H 1 2.311 0.05 . 2 . . . . 14 P HG2 . 15266 1 139 . 1 1 14 14 PRO CA C 13 61.400 0.3 . 1 . . . . 14 P CA . 15266 1 140 . 1 1 14 14 PRO CB C 13 31.900 0.3 . 1 . . . . 14 P CB . 15266 1 141 . 1 1 14 14 PRO CD C 13 50.800 0.3 . 1 . . . . 14 P CD . 15266 1 142 . 1 1 14 14 PRO CG C 13 30.800 0.3 . 1 . . . . 14 P CG . 15266 1 143 . 1 1 15 15 PRO HA H 1 4.590 0.05 . 1 . . . . 15 P HA . 15266 1 144 . 1 1 15 15 PRO HB2 H 1 1.837 0.05 . 2 . . . . 15 P HB1 . 15266 1 145 . 1 1 15 15 PRO HB3 H 1 2.221 0.05 . 2 . . . . 15 P HB2 . 15266 1 146 . 1 1 15 15 PRO HD2 H 1 3.509 0.05 . 2 . . . . 15 P HD1 . 15266 1 147 . 1 1 15 15 PRO HD3 H 1 3.756 0.05 . 2 . . . . 15 P HD2 . 15266 1 148 . 1 1 15 15 PRO HG2 H 1 1.972 0.05 . 2 . . . . 15 P HG1 . 15266 1 149 . 1 1 15 15 PRO HG3 H 1 2.220 0.05 . 2 . . . . 15 P HG2 . 15266 1 150 . 1 1 15 15 PRO CA C 13 61.404 0.3 . 1 . . . . 15 P CA . 15266 1 151 . 1 1 15 15 PRO CB C 13 31.000 0.3 . 1 . . . . 15 P CB . 15266 1 152 . 1 1 15 15 PRO CG C 13 30.820 0.3 . 1 . . . . 15 P CG . 15266 1 153 . 1 1 16 16 PRO HA H 1 4.290 0.05 . 1 . . . . 16 P HA . 15266 1 154 . 1 1 16 16 PRO HB2 H 1 1.680 0.05 . 2 . . . . 16 P HB1 . 15266 1 155 . 1 1 16 16 PRO HB3 H 1 2.149 0.05 . 2 . . . . 16 P HB2 . 15266 1 156 . 1 1 16 16 PRO HD2 H 1 3.801 0.05 . 2 . . . . 16 P HD1 . 15266 1 157 . 1 1 16 16 PRO HD3 H 1 3.641 0.05 . 2 . . . . 16 P HD2 . 15266 1 158 . 1 1 16 16 PRO HG2 H 1 1.933 0.05 . 2 . . . . 16 P HG1 . 15266 1 159 . 1 1 16 16 PRO HG3 H 1 2.130 0.05 . 2 . . . . 16 P HG2 . 15266 1 160 . 1 1 16 16 PRO C C 13 175.120 0.3 . 1 . . . . 16 P C . 15266 1 161 . 1 1 16 16 PRO CA C 13 62.900 0.3 . 1 . . . . 16 P CA . 15266 1 162 . 1 1 16 16 PRO CB C 13 31.900 0.3 . 1 . . . . 16 P CB . 15266 1 163 . 1 1 16 16 PRO CD C 13 50.800 0.3 . 1 . . . . 16 P CD . 15266 1 164 . 1 1 16 16 PRO CG C 13 30.800 0.3 . 1 . . . . 16 P CG . 15266 1 165 . 1 1 17 17 ASP H H 1 8.350 0.05 . 1 . . . . 17 D HN . 15266 1 166 . 1 1 17 17 ASP HA H 1 4.500 0.05 . 1 . . . . 17 D HA . 15266 1 167 . 1 1 17 17 ASP HB2 H 1 2.602 0.05 . 2 . . . . 17 D HB1 . 15266 1 168 . 1 1 17 17 ASP HB3 H 1 2.602 0.05 . 2 . . . . 17 D HB2 . 15266 1 169 . 1 1 17 17 ASP C C 13 174.900 0.3 . 1 . . . . 17 D C . 15266 1 170 . 1 1 17 17 ASP CA C 13 54.380 0.3 . 1 . . . . 17 D CA . 15266 1 171 . 1 1 17 17 ASP CB C 13 41.260 0.3 . 1 . . . . 17 D CB . 15266 1 172 . 1 1 17 17 ASP N N 15 119.650 0.3 . 1 . . . . 17 D N . 15266 1 173 . 1 1 18 18 PHE H H 1 8.260 0.05 . 1 . . . . 18 F HN . 15266 1 174 . 1 1 18 18 PHE HA H 1 4.512 0.05 . 1 . . . . 18 F HA . 15266 1 175 . 1 1 18 18 PHE HB2 H 1 3.056 0.05 . 2 . . . . 18 F HB1 . 15266 1 176 . 1 1 18 18 PHE HB3 H 1 3.056 0.05 . 2 . . . . 18 F HB2 . 15266 1 177 . 1 1 18 18 PHE HD1 H 1 7.118 0.05 . 3 . . . . 18 F HD1 . 15266 1 178 . 1 1 18 18 PHE HD2 H 1 7.326 0.05 . 3 . . . . 18 F HD2 . 15266 1 179 . 1 1 18 18 PHE HE1 H 1 7.326 0.05 . 3 . . . . 18 F HE1 . 15266 1 180 . 1 1 18 18 PHE HE2 H 1 7.118 0.05 . 3 . . . . 18 F HE2 . 15266 1 181 . 1 1 18 18 PHE HZ H 1 7.219 0.05 . 1 . . . . 18 F HZ . 15266 1 182 . 1 1 18 18 PHE C C 13 175.240 0.3 . 1 . . . . 18 F C . 15266 1 183 . 1 1 18 18 PHE CA C 13 58.210 0.3 . 1 . . . . 18 F CA . 15266 1 184 . 1 1 18 18 PHE CB C 13 39.400 0.3 . 1 . . . . 18 F CB . 15266 1 185 . 1 1 18 18 PHE N N 15 121.630 0.3 . 1 . . . . 18 F N . 15266 1 186 . 1 1 19 19 ASN H H 1 8.420 0.05 . 1 . . . . 19 N HN . 15266 1 187 . 1 1 19 19 ASN HA H 1 4.580 0.05 . 1 . . . . 19 N HA . 15266 1 188 . 1 1 19 19 ASN HB2 H 1 2.677 0.05 . 2 . . . . 19 N HB1 . 15266 1 189 . 1 1 19 19 ASN HB3 H 1 2.739 0.05 . 2 . . . . 19 N HB2 . 15266 1 190 . 1 1 19 19 ASN HD21 H 1 7.250 0.05 . 2 . . . . 19 N HD21 . 15266 1 191 . 1 1 19 19 ASN HD22 H 1 7.070 0.05 . 2 . . . . 19 N HD22 . 15266 1 192 . 1 1 19 19 ASN C C 13 175.900 0.3 . 1 . . . . 19 N C . 15266 1 193 . 1 1 19 19 ASN CA C 13 53.770 0.3 . 1 . . . . 19 N CA . 15266 1 194 . 1 1 19 19 ASN CB C 13 38.800 0.3 . 1 . . . . 19 N CB . 15266 1 195 . 1 1 19 19 ASN N N 15 120.110 0.3 . 1 . . . . 19 N N . 15266 1 196 . 1 1 20 20 GLN H H 1 8.250 0.05 . 1 . . . . 20 Q HN . 15266 1 197 . 1 1 20 20 GLN HA H 1 4.210 0.05 . 1 . . . . 20 Q HA . 15266 1 198 . 1 1 20 20 GLN HB2 H 1 2.105 0.05 . 2 . . . . 20 Q HB1 . 15266 1 199 . 1 1 20 20 GLN HB3 H 1 1.966 0.05 . 2 . . . . 20 Q HB2 . 15266 1 200 . 1 1 20 20 GLN HE21 H 1 6.943 0.05 . 2 . . . . 20 Q HE21 . 15266 1 201 . 1 1 20 20 GLN HE22 H 1 7.620 0.05 . 2 . . . . 20 Q HE22 . 15266 1 202 . 1 1 20 20 GLN HG2 H 1 2.319 0.05 . 2 . . . . 20 Q HG1 . 15266 1 203 . 1 1 20 20 GLN HG3 H 1 2.319 0.05 . 2 . . . . 20 Q HG2 . 15266 1 204 . 1 1 20 20 GLN C C 13 175.120 0.3 . 1 . . . . 20 Q C . 15266 1 205 . 1 1 20 20 GLN CA C 13 56.280 0.3 . 1 . . . . 20 Q CA . 15266 1 206 . 1 1 20 20 GLN CB C 13 29.500 0.3 . 1 . . . . 20 Q CB . 15266 1 207 . 1 1 20 20 GLN CG C 13 33.550 0.3 . 1 . . . . 20 Q CG . 15266 1 208 . 1 1 20 20 GLN N N 15 120.660 0.3 . 1 . . . . 20 Q N . 15266 1 209 . 1 1 21 21 CYS H H 1 8.350 0.05 . 1 . . . . 21 C HN . 15266 1 210 . 1 1 21 21 CYS HA H 1 4.373 0.05 . 1 . . . . 21 C HA . 15266 1 211 . 1 1 21 21 CYS HB2 H 1 2.883 0.05 . 2 . . . . 21 C HB1 . 15266 1 212 . 1 1 21 21 CYS HB3 H 1 2.883 0.05 . 2 . . . . 21 C HB2 . 15266 1 213 . 1 1 21 21 CYS C C 13 176.300 0.3 . 1 . . . . 21 C C . 15266 1 214 . 1 1 21 21 CYS CA C 13 58.790 0.3 . 1 . . . . 21 C CA . 15266 1 215 . 1 1 21 21 CYS CB C 13 27.530 0.3 . 1 . . . . 21 C CB . 15266 1 216 . 1 1 21 21 CYS N N 15 119.880 0.3 . 1 . . . . 21 C N . 15266 1 217 . 1 1 22 22 LEU H H 1 8.300 0.05 . 1 . . . . 22 L HN . 15266 1 218 . 1 1 22 22 LEU HA H 1 4.294 0.05 . 1 . . . . 22 L HA . 15266 1 219 . 1 1 22 22 LEU HB2 H 1 1.595 0.05 . 2 . . . . 22 L HB1 . 15266 1 220 . 1 1 22 22 LEU HB3 H 1 1.595 0.05 . 2 . . . . 22 L HB2 . 15266 1 221 . 1 1 22 22 LEU HD11 H 1 0.865 0.05 . 2 . . . . 22 L HD11 . 15266 1 222 . 1 1 22 22 LEU HD12 H 1 0.865 0.05 . 2 . . . . 22 L HD11 . 15266 1 223 . 1 1 22 22 LEU HD13 H 1 0.865 0.05 . 2 . . . . 22 L HD11 . 15266 1 224 . 1 1 22 22 LEU HD21 H 1 0.830 0.05 . 2 . . . . 22 L HD21 . 15266 1 225 . 1 1 22 22 LEU HD22 H 1 0.830 0.05 . 2 . . . . 22 L HD21 . 15266 1 226 . 1 1 22 22 LEU HD23 H 1 0.830 0.05 . 2 . . . . 22 L HD21 . 15266 1 227 . 1 1 22 22 LEU HG H 1 1.597 0.05 . 1 . . . . 22 L HG . 15266 1 228 . 1 1 22 22 LEU C C 13 173.750 0.3 . 1 . . . . 22 L C . 15266 1 229 . 1 1 22 22 LEU CA C 13 55.090 0.3 . 1 . . . . 22 L CA . 15266 1 230 . 1 1 22 22 LEU CB C 13 41.920 0.3 . 1 . . . . 22 L CB . 15266 1 231 . 1 1 22 22 LEU CD1 C 13 23.500 0.3 . 1 . . . . 22 L CD1 . 15266 1 232 . 1 1 22 22 LEU CD2 C 13 23.500 0.3 . 1 . . . . 22 L CD2 . 15266 1 233 . 1 1 22 22 LEU CG C 13 26.800 0.3 . 1 . . . . 22 L CG . 15266 1 234 . 1 1 22 22 LEU N N 15 124.290 0.3 . 1 . . . . 22 L N . 15266 1 235 . 1 1 23 23 LYS H H 1 8.290 0.05 . 1 . . . . 23 K HN . 15266 1 236 . 1 1 23 23 LYS HA H 1 4.300 0.05 . 1 . . . . 23 K HA . 15266 1 237 . 1 1 23 23 LYS HB2 H 1 1.719 0.05 . 2 . . . . 23 K HB1 . 15266 1 238 . 1 1 23 23 LYS HB3 H 1 1.814 0.05 . 2 . . . . 23 K HB2 . 15266 1 239 . 1 1 23 23 LYS HD2 H 1 1.614 0.05 . 2 . . . . 23 K HD1 . 15266 1 240 . 1 1 23 23 LYS HD3 H 1 1.614 0.05 . 2 . . . . 23 K HD2 . 15266 1 241 . 1 1 23 23 LYS HE2 H 1 2.950 0.05 . 2 . . . . 23 K HE1 . 15266 1 242 . 1 1 23 23 LYS HE3 H 1 2.950 0.05 . 2 . . . . 23 K HE2 . 15266 1 243 . 1 1 23 23 LYS HG2 H 1 1.391 0.05 . 2 . . . . 23 K HG1 . 15266 1 244 . 1 1 23 23 LYS HG3 H 1 1.391 0.05 . 2 . . . . 23 K HG2 . 15266 1 245 . 1 1 23 23 LYS HZ1 H 1 7.468 0.05 . 1 . . . . 23 K HZ1 . 15266 1 246 . 1 1 23 23 LYS HZ2 H 1 7.468 0.05 . 1 . . . . 23 K HZ1 . 15266 1 247 . 1 1 23 23 LYS HZ3 H 1 7.468 0.05 . 1 . . . . 23 K HZ1 . 15266 1 248 . 1 1 23 23 LYS C C 13 174.750 0.3 . 1 . . . . 23 K C . 15266 1 249 . 1 1 23 23 LYS CA C 13 56.290 0.3 . 1 . . . . 23 K CA . 15266 1 250 . 1 1 23 23 LYS CB C 13 33.150 0.3 . 1 . . . . 23 K CB . 15266 1 251 . 1 1 23 23 LYS CD C 13 29.100 0.3 . 1 . . . . 23 K CD . 15266 1 252 . 1 1 23 23 LYS CE C 13 42.250 0.3 . 1 . . . . 23 K CE . 15266 1 253 . 1 1 23 23 LYS CG C 13 24.600 0.3 . 1 . . . . 23 K CG . 15266 1 254 . 1 1 23 23 LYS N N 15 121.900 0.3 . 1 . . . . 23 K N . 15266 1 255 . 1 1 24 24 ASN H H 1 8.460 0.05 . 1 . . . . 24 N HN . 15266 1 256 . 1 1 24 24 ASN HA H 1 4.690 0.05 . 1 . . . . 24 N HA . 15266 1 257 . 1 1 24 24 ASN HB2 H 1 2.781 0.05 . 2 . . . . 24 N HB1 . 15266 1 258 . 1 1 24 24 ASN HB3 H 1 2.707 0.05 . 2 . . . . 24 N HB2 . 15266 1 259 . 1 1 24 24 ASN HD21 H 1 7.679 0.05 . 2 . . . . 24 N HD21 . 15266 1 260 . 1 1 24 24 ASN HD22 H 1 6.955 0.05 . 2 . . . . 24 N HD22 . 15266 1 261 . 1 1 24 24 ASN C C 13 176.300 0.3 . 1 . . . . 24 N C . 15266 1 262 . 1 1 24 24 ASN CA C 13 53.150 0.3 . 1 . . . . 24 N CA . 15266 1 263 . 1 1 24 24 ASN CB C 13 38.790 0.3 . 1 . . . . 24 N CB . 15266 1 264 . 1 1 24 24 ASN N N 15 119.630 0.3 . 1 . . . . 24 N N . 15266 1 265 . 1 1 25 25 SER H H 1 8.326 0.05 . 1 . . . . 25 S HN . 15266 1 266 . 1 1 25 25 SER HA H 1 4.688 0.05 . 1 . . . . 25 S HA . 15266 1 267 . 1 1 25 25 SER HB2 H 1 3.870 0.05 . 2 . . . . 25 S HB1 . 15266 1 268 . 1 1 25 25 SER HB3 H 1 3.870 0.05 . 2 . . . . 25 S HB2 . 15266 1 269 . 1 1 25 25 SER C C 13 178.050 0.3 . 1 . . . . 25 S C . 15266 1 270 . 1 1 25 25 SER CA C 13 56.290 0.3 . 1 . . . . 25 S CA . 15266 1 271 . 1 1 25 25 SER CB C 13 63.300 0.3 . 1 . . . . 25 S CB . 15266 1 272 . 1 1 25 25 SER N N 15 117.260 0.3 . 1 . . . . 25 S N . 15266 1 273 . 1 1 26 26 PRO HA H 1 4.430 0.05 . 1 . . . . 26 P HA . 15266 1 274 . 1 1 26 26 PRO HB2 H 1 1.960 0.05 . 2 . . . . 26 P HB1 . 15266 1 275 . 1 1 26 26 PRO HB3 H 1 2.280 0.05 . 2 . . . . 26 P HB2 . 15266 1 276 . 1 1 26 26 PRO HD2 H 1 3.730 0.05 . 2 . . . . 26 P HD1 . 15266 1 277 . 1 1 26 26 PRO HD3 H 1 3.730 0.05 . 2 . . . . 26 P HD2 . 15266 1 278 . 1 1 26 26 PRO HG2 H 1 1.962 0.05 . 2 . . . . 26 P HG1 . 15266 1 279 . 1 1 26 26 PRO HG3 H 1 1.962 0.05 . 2 . . . . 26 P HG2 . 15266 1 280 . 1 1 26 26 PRO C C 13 175.000 0.3 . 1 . . . . 26 P C . 15266 1 281 . 1 1 26 26 PRO CA C 13 63.250 0.3 . 1 . . . . 26 P CA . 15266 1 282 . 1 1 26 26 PRO CB C 13 31.930 0.3 . 1 . . . . 26 P CB . 15266 1 283 . 1 1 26 26 PRO CD C 13 50.800 0.3 . 1 . . . . 26 P CD . 15266 1 284 . 1 1 26 26 PRO CG C 13 27.370 0.3 . 1 . . . . 26 P CG . 15266 1 285 . 1 1 27 27 ASP H H 1 8.340 0.05 . 1 . . . . 27 D HN . 15266 1 286 . 1 1 27 27 ASP HA H 1 4.528 0.05 . 1 . . . . 27 D HA . 15266 1 287 . 1 1 27 27 ASP HB2 H 1 2.581 0.05 . 2 . . . . 27 D HB1 . 15266 1 288 . 1 1 27 27 ASP HB3 H 1 2.706 0.05 . 2 . . . . 27 D HB2 . 15266 1 289 . 1 1 27 27 ASP C C 13 174.750 0.3 . 1 . . . . 27 D C . 15266 1 290 . 1 1 27 27 ASP CA C 13 54.38 0.3 . 1 . . . . 27 D CA . 15266 1 291 . 1 1 27 27 ASP CB C 13 41.220 0.3 . 1 . . . . 27 D CB . 15266 1 292 . 1 1 27 27 ASP N N 15 119.670 0.3 . 1 . . . . 27 D N . 15266 1 293 . 1 1 28 28 GLU H H 1 8.230 0.05 . 1 . . . . 28 E HN . 15266 1 294 . 1 1 28 28 GLU HA H 1 4.120 0.05 . 1 . . . . 28 E HA . 15266 1 295 . 1 1 28 28 GLU HB2 H 1 1.932 0.05 . 2 . . . . 28 E HB1 . 15266 1 296 . 1 1 28 28 GLU HB3 H 1 1.932 0.05 . 2 . . . . 28 E HB2 . 15266 1 297 . 1 1 28 28 GLU HG2 H 1 2.187 0.05 . 2 . . . . 28 E HG1 . 15266 1 298 . 1 1 28 28 GLU HG3 H 1 2.187 0.05 . 2 . . . . 28 E HG2 . 15266 1 299 . 1 1 28 28 GLU C C 13 174.900 0.3 . 1 . . . . 28 E C . 15266 1 300 . 1 1 28 28 GLU CA C 13 56.910 0.3 . 1 . . . . 28 E CA . 15266 1 301 . 1 1 28 28 GLU CB C 13 30.020 0.3 . 1 . . . . 28 E CB . 15266 1 302 . 1 1 28 28 GLU CG C 13 36.150 0.3 . 1 . . . . 28 E CG . 15266 1 303 . 1 1 28 28 GLU N N 15 121.680 0.3 . 1 . . . . 28 E N . 15266 1 304 . 1 1 29 29 LYS H H 1 8.280 0.05 . 1 . . . . 29 K HN . 15266 1 305 . 1 1 29 29 LYS HA H 1 4.128 0.05 . 1 . . . . 29 K HA . 15266 1 306 . 1 1 29 29 LYS HB2 H 1 1.596 0.05 . 2 . . . . 29 K HB1 . 15266 1 307 . 1 1 29 29 LYS HB3 H 1 1.596 0.05 . 2 . . . . 29 K HB2 . 15266 1 308 . 1 1 29 29 LYS HD2 H 1 1.650 0.05 . 2 . . . . 29 K HD1 . 15266 1 309 . 1 1 29 29 LYS HD3 H 1 1.650 0.05 . 2 . . . . 29 K HD2 . 15266 1 310 . 1 1 29 29 LYS HE2 H 1 2.913 0.05 . 2 . . . . 29 K HE1 . 15266 1 311 . 1 1 29 29 LYS HE3 H 1 2.913 0.05 . 2 . . . . 29 K HE2 . 15266 1 312 . 1 1 29 29 LYS HG2 H 1 1.236 0.05 . 2 . . . . 29 K HG1 . 15266 1 313 . 1 1 29 29 LYS HG3 H 1 1.236 0.05 . 2 . . . . 29 K HG2 . 15266 1 314 . 1 1 29 29 LYS C C 13 174.750 0.3 . 1 . . . . 29 K C . 15266 1 315 . 1 1 29 29 LYS CA C 13 56.310 0.3 . 1 . . . . 29 K CA . 15266 1 316 . 1 1 29 29 LYS CB C 13 32.546 0.3 . 1 . . . . 29 K CB . 15266 1 317 . 1 1 29 29 LYS CD C 13 28.300 0.3 . 1 . . . . 29 K CD . 15266 1 318 . 1 1 29 29 LYS CE C 13 42.220 0.3 . 1 . . . . 29 K CE . 15266 1 319 . 1 1 29 29 LYS CG C 13 24.550 0.3 . 1 . . . . 29 K CG . 15266 1 320 . 1 1 29 29 LYS N N 15 121.760 0.3 . 1 . . . . 29 K N . 15266 1 321 . 1 1 30 30 PHE H H 1 8.150 0.05 . 1 . . . . 30 F HN . 15266 1 322 . 1 1 30 30 PHE HA H 1 4.530 0.05 . 1 . . . . 30 F HA . 15266 1 323 . 1 1 30 30 PHE HB2 H 1 2.917 0.05 . 2 . . . . 30 F HB1 . 15266 1 324 . 1 1 30 30 PHE HB3 H 1 2.998 0.05 . 2 . . . . 30 F HB2 . 15266 1 325 . 1 1 30 30 PHE C C 13 175.520 0.3 . 1 . . . . 30 F C . 15266 1 326 . 1 1 30 30 PHE CA C 13 58.120 0.3 . 1 . . . . 30 F CA . 15266 1 327 . 1 1 30 30 PHE CB C 13 39.500 0.3 . 1 . . . . 30 F CB . 15266 1 328 . 1 1 30 30 PHE N N 15 120.520 0.3 . 1 . . . . 30 F N . 15266 1 329 . 1 1 31 31 PHE H H 1 8.180 0.05 . 1 . . . . 31 F HN . 15266 1 330 . 1 1 31 31 PHE HA H 1 4.520 0.05 . 1 . . . . 31 F HA . 15266 1 331 . 1 1 31 31 PHE HB2 H 1 3.093 0.05 . 2 . . . . 31 F HB1 . 15266 1 332 . 1 1 31 31 PHE HB3 H 1 2.966 0.05 . 2 . . . . 31 F HB2 . 15266 1 333 . 1 1 31 31 PHE HD1 H 1 7.209 0.05 . 3 . . . . 31 F HD1 . 15266 1 334 . 1 1 31 31 PHE HE1 H 1 7.092 0.05 . 3 . . . . 31 F HE1 . 15266 1 335 . 1 1 31 31 PHE C C 13 175.500 0.3 . 1 . . . . 31 F C . 15266 1 336 . 1 1 31 31 PHE CA C 13 57.660 0.3 . 1 . . . . 31 F CA . 15266 1 337 . 1 1 31 31 PHE CB C 13 40.030 0.3 . 1 . . . . 31 F CB . 15266 1 338 . 1 1 31 31 PHE N N 15 121.420 0.3 . 1 . . . . 31 F N . 15266 1 339 . 1 1 32 32 SER H H 1 8.206 0.05 . 1 . . . . 32 S HN . 15266 1 340 . 1 1 32 32 SER HA H 1 4.300 0.05 . 1 . . . . 32 S HA . 15266 1 341 . 1 1 32 32 SER HB2 H 1 3.777 0.05 . 2 . . . . 32 S HB1 . 15266 1 342 . 1 1 32 32 SER HB3 H 1 3.692 0.05 . 2 . . . . 32 S HB2 . 15266 1 343 . 1 1 32 32 SER C C 13 177.100 0.3 . 1 . . . . 32 S C . 15266 1 344 . 1 1 32 32 SER CA C 13 58.170 0.3 . 1 . . . . 32 S CA . 15266 1 345 . 1 1 32 32 SER CB C 13 63.770 0.3 . 1 . . . . 32 S CB . 15266 1 346 . 1 1 32 32 SER N N 15 117.300 0.3 . 1 . . . . 32 S N . 15266 1 347 . 1 1 33 33 ASP H H 1 8.240 0.05 . 1 . . . . 33 D HN . 15266 1 348 . 1 1 33 33 ASP HA H 1 4.530 0.05 . 1 . . . . 33 D HA . 15266 1 349 . 1 1 33 33 ASP HB2 H 1 2.540 0.05 . 2 . . . . 33 D HB1 . 15266 1 350 . 1 1 33 33 ASP HB3 H 1 2.540 0.05 . 2 . . . . 33 D HB2 . 15266 1 351 . 1 1 33 33 ASP C C 13 174.780 0.3 . 1 . . . . 33 D C . 15266 1 352 . 1 1 33 33 ASP CA C 13 54.400 0.3 . 1 . . . . 33 D CA . 15266 1 353 . 1 1 33 33 ASP CB C 13 41.170 0.3 . 1 . . . . 33 D CB . 15266 1 354 . 1 1 33 33 ASP N N 15 122.320 0.3 . 1 . . . . 33 D N . 15266 1 355 . 1 1 34 34 PHE H H 1 8.220 0.05 . 1 . . . . 34 F HN . 15266 1 356 . 1 1 34 34 PHE HA H 1 4.531 0.05 . 1 . . . . 34 F HA . 15266 1 357 . 1 1 34 34 PHE HB2 H 1 2.979 0.05 . 2 . . . . 34 F HB1 . 15266 1 358 . 1 1 34 34 PHE HB3 H 1 3.163 0.05 . 2 . . . . 34 F HB2 . 15266 1 359 . 1 1 34 34 PHE HD1 H 1 7.190 0.05 . 3 . . . . 34 F HD1 . 15266 1 360 . 1 1 34 34 PHE HD2 H 1 7.353 0.05 . 3 . . . . 34 F HD2 . 15266 1 361 . 1 1 34 34 PHE HE1 H 1 7.353 0.05 . 3 . . . . 34 F HE1 . 15266 1 362 . 1 1 34 34 PHE HE2 H 1 7.100 0.05 . 3 . . . . 34 F HE2 . 15266 1 363 . 1 1 34 34 PHE HZ H 1 7.249 0.05 . 1 . . . . 34 F HZ . 15266 1 364 . 1 1 34 34 PHE C C 13 174.770 0.3 . 1 . . . . 34 F C . 15266 1 365 . 1 1 34 34 PHE CA C 13 58.140 0.3 . 1 . . . . 34 F CA . 15266 1 366 . 1 1 34 34 PHE CB C 13 39.400 0.3 . 1 . . . . 34 F CB . 15266 1 367 . 1 1 34 34 PHE N N 15 120.730 0.3 . 1 . . . . 34 F N . 15266 1 368 . 1 1 35 35 SER H H 1 8.230 0.05 . 1 . . . . 35 S HN . 15266 1 369 . 1 1 35 35 SER HA H 1 4.280 0.05 . 1 . . . . 35 S HA . 15266 1 370 . 1 1 35 35 SER HB2 H 1 3.809 0.05 . 2 . . . . 35 S HB1 . 15266 1 371 . 1 1 35 35 SER HB3 H 1 3.809 0.05 . 2 . . . . 35 S HB2 . 15266 1 372 . 1 1 35 35 SER C C 13 176.670 0.3 . 1 . . . . 35 S C . 15266 1 373 . 1 1 35 35 SER CA C 13 58.790 0.3 . 1 . . . . 35 S CA . 15266 1 374 . 1 1 35 35 SER CB C 13 63.770 0.3 . 1 . . . . 35 S CB . 15266 1 375 . 1 1 35 35 SER N N 15 116.540 0.3 . 1 . . . . 35 S N . 15266 1 376 . 1 1 36 36 ASN H H 1 8.320 0.05 . 1 . . . . 36 N HN . 15266 1 377 . 1 1 36 36 ASN HA H 1 4.660 0.05 . 1 . . . . 36 N HA . 15266 1 378 . 1 1 36 36 ASN HB2 H 1 2.735 0.05 . 2 . . . . 36 N HB1 . 15266 1 379 . 1 1 36 36 ASN HB3 H 1 2.808 0.05 . 2 . . . . 36 N HB2 . 15266 1 380 . 1 1 36 36 ASN C C 13 175.970 0.3 . 1 . . . . 36 N C . 15266 1 381 . 1 1 36 36 ASN CA C 13 53.170 0.3 . 1 . . . . 36 N CA . 15266 1 382 . 1 1 36 36 ASN CB C 13 38.760 0.3 . 1 . . . . 36 N CB . 15266 1 383 . 1 1 36 36 ASN N N 15 120.040 0.3 . 1 . . . . 36 N N . 15266 1 384 . 1 1 37 37 ASN H H 1 8.350 0.05 . 1 . . . . 37 N HN . 15266 1 385 . 1 1 37 37 ASN HA H 1 4.658 0.05 . 1 . . . . 37 N HA . 15266 1 386 . 1 1 37 37 ASN HB2 H 1 2.726 0.05 . 2 . . . . 37 N HB1 . 15266 1 387 . 1 1 37 37 ASN HB3 H 1 2.801 0.05 . 2 . . . . 37 N HB2 . 15266 1 388 . 1 1 37 37 ASN HD21 H 1 7.643 0.05 . 2 . . . . 37 N HD21 . 15266 1 389 . 1 1 37 37 ASN HD22 H 1 7.000 0.05 . 2 . . . . 37 N HD22 . 15266 1 390 . 1 1 37 37 ASN C C 13 175.510 0.3 . 1 . . . . 37 N C . 15266 1 391 . 1 1 37 37 ASN CA C 13 53.760 0.3 . 1 . . . . 37 N CA . 15266 1 392 . 1 1 37 37 ASN CB C 13 38.790 0.3 . 1 . . . . 37 N CB . 15266 1 393 . 1 1 37 37 ASN N N 15 118.740 0.3 . 1 . . . . 37 N N . 15266 1 394 . 1 1 38 38 MET H H 1 8.400 0.05 . 1 . . . . 38 M HN . 15266 1 395 . 1 1 38 38 MET HA H 1 4.400 0.05 . 1 . . . . 38 M HA . 15266 1 396 . 1 1 38 38 MET HB2 H 1 2.018 0.05 . 2 . . . . 38 M HB1 . 15266 1 397 . 1 1 38 38 MET HB3 H 1 2.091 0.05 . 2 . . . . 38 M HB2 . 15266 1 398 . 1 1 38 38 MET HE1 H 1 2.020 0.05 . 1 . . . . 38 M HE1 . 15266 1 399 . 1 1 38 38 MET HE2 H 1 2.020 0.05 . 1 . . . . 38 M HE1 . 15266 1 400 . 1 1 38 38 MET HE3 H 1 2.020 0.05 . 1 . . . . 38 M HE1 . 15266 1 401 . 1 1 38 38 MET HG2 H 1 2.500 0.05 . 2 . . . . 38 M HG1 . 15266 1 402 . 1 1 38 38 MET HG3 H 1 2.500 0.05 . 2 . . . . 38 M HG2 . 15266 1 403 . 1 1 38 38 MET C C 13 173.950 0.3 . 1 . . . . 38 M C . 15266 1 404 . 1 1 38 38 MET CA C 13 55.750 0.3 . 1 . . . . 38 M CA . 15266 1 405 . 1 1 38 38 MET CB C 13 32.450 0.3 . 1 . . . . 38 M CB . 15266 1 406 . 1 1 38 38 MET CE C 13 16.530 0.3 . 1 . . . . 38 M CE . 15266 1 407 . 1 1 38 38 MET CG C 13 31.900 0.3 . 1 . . . . 38 M CG . 15266 1 408 . 1 1 38 38 MET N N 15 120.200 0.3 . 1 . . . . 38 M N . 15266 1 409 . 1 1 39 39 GLY H H 1 8.440 0.05 . 1 . . . . 39 G HN . 15266 1 410 . 1 1 39 39 GLY HA2 H 1 3.930 0.05 . 2 . . . . 39 G HA1 . 15266 1 411 . 1 1 39 39 GLY HA3 H 1 3.930 0.05 . 2 . . . . 39 G HA2 . 15266 1 412 . 1 1 39 39 GLY C C 13 176.700 0.3 . 1 . . . . 39 G C . 15266 1 413 . 1 1 39 39 GLY CA C 13 45.650 0.3 . 1 . . . . 39 G CA . 15266 1 414 . 1 1 39 39 GLY N N 15 109.530 0.3 . 1 . . . . 39 G N . 15266 1 415 . 1 1 40 40 SER H H 1 8.210 0.05 . 1 . . . . 40 S HN . 15266 1 416 . 1 1 40 40 SER HA H 1 4.420 0.05 . 1 . . . . 40 S HA . 15266 1 417 . 1 1 40 40 SER HB2 H 1 3.849 0.05 . 2 . . . . 40 S HB1 . 15266 1 418 . 1 1 40 40 SER HB3 H 1 3.849 0.05 . 2 . . . . 40 S HB2 . 15266 1 419 . 1 1 40 40 SER C C 13 176.490 0.3 . 1 . . . . 40 S C . 15266 1 420 . 1 1 40 40 SER CA C 13 58.150 0.3 . 1 . . . . 40 S CA . 15266 1 421 . 1 1 40 40 SER CB C 13 63.780 0.3 . 1 . . . . 40 S CB . 15266 1 422 . 1 1 40 40 SER N N 15 115.760 0.3 . 1 . . . . 40 S N . 15266 1 423 . 1 1 41 41 ARG H H 1 8.340 0.05 . 1 . . . . 41 R HN . 15266 1 424 . 1 1 41 41 ARG HA H 1 4.280 0.05 . 1 . . . . 41 R HA . 15266 1 425 . 1 1 41 41 ARG HB2 H 1 1.785 0.05 . 2 . . . . 41 R HB1 . 15266 1 426 . 1 1 41 41 ARG HB3 H 1 1.785 0.05 . 2 . . . . 41 R HB2 . 15266 1 427 . 1 1 41 41 ARG HD2 H 1 3.144 0.05 . 2 . . . . 41 R HD1 . 15266 1 428 . 1 1 41 41 ARG HD3 H 1 3.144 0.05 . 2 . . . . 41 R HD2 . 15266 1 429 . 1 1 41 41 ARG HG2 H 1 1.583 0.05 . 2 . . . . 41 R HG1 . 15266 1 430 . 1 1 41 41 ARG HG3 H 1 1.583 0.05 . 2 . . . . 41 R HG2 . 15266 1 431 . 1 1 41 41 ARG HH11 H 1 7.277 0.05 . 1 . . . . 41 R HH11 . 15266 1 432 . 1 1 41 41 ARG C C 13 174.930 0.3 . 1 . . . . 41 R C . 15266 1 433 . 1 1 41 41 ARG CA C 13 56.250 0.3 . 1 . . . . 41 R CA . 15266 1 434 . 1 1 41 41 ARG CB C 13 30.660 0.3 . 1 . . . . 41 R CB . 15266 1 435 . 1 1 41 41 ARG CD C 13 43.400 0.3 . 1 . . . . 41 R CD . 15266 1 436 . 1 1 41 41 ARG CG C 13 27.000 0.3 . 1 . . . . 41 R CG . 15266 1 437 . 1 1 41 41 ARG N N 15 122.960 0.3 . 1 . . . . 41 R N . 15266 1 438 . 1 1 42 42 LYS H H 1 8.390 0.05 . 1 . . . . 42 K HN . 15266 1 439 . 1 1 42 42 LYS HA H 1 4.300 0.05 . 1 . . . . 42 K HA . 15266 1 440 . 1 1 42 42 LYS HB2 H 1 1.823 0.05 . 2 . . . . 42 K HB1 . 15266 1 441 . 1 1 42 42 LYS HB3 H 1 1.823 0.05 . 2 . . . . 42 K HB2 . 15266 1 442 . 1 1 42 42 LYS HD2 H 1 1.728 0.05 . 2 . . . . 42 K HD1 . 15266 1 443 . 1 1 42 42 LYS HD3 H 1 1.728 0.05 . 2 . . . . 42 K HD2 . 15266 1 444 . 1 1 42 42 LYS HE2 H 1 3.145 0.05 . 2 . . . . 42 K HE1 . 15266 1 445 . 1 1 42 42 LYS HE3 H 1 3.145 0.05 . 2 . . . . 42 K HE2 . 15266 1 446 . 1 1 42 42 LYS HG2 H 1 1.590 0.05 . 2 . . . . 42 K HG1 . 15266 1 447 . 1 1 42 42 LYS HG3 H 1 1.590 0.05 . 2 . . . . 42 K HG2 . 15266 1 448 . 1 1 42 42 LYS C C 13 174.940 0.3 . 1 . . . . 42 K C . 15266 1 449 . 1 1 42 42 LYS CA C 13 56.280 0.3 . 1 . . . . 42 K CA . 15266 1 450 . 1 1 42 42 LYS CB C 13 33.140 0.3 . 1 . . . . 42 K CB . 15266 1 451 . 1 1 42 42 LYS CD C 13 32.900 0.3 . 1 . . . . 42 K CD . 15266 1 452 . 1 1 42 42 LYS CE C 13 42.200 0.3 . 1 . . . . 42 K CE . 15266 1 453 . 1 1 42 42 LYS CG C 13 24.500 0.3 . 1 . . . . 42 K CG . 15266 1 454 . 1 1 42 42 LYS N N 15 122.950 0.3 . 1 . . . . 42 K N . 15266 1 455 . 1 1 43 43 ASN H H 1 8.610 0.05 . 1 . . . . 43 N HN . 15266 1 456 . 1 1 43 43 ASN HA H 1 4.890 0.05 . 1 . . . . 43 N HA . 15266 1 457 . 1 1 43 43 ASN HB2 H 1 2.750 0.05 . 2 . . . . 43 N HB1 . 15266 1 458 . 1 1 43 43 ASN HB3 H 1 2.633 0.05 . 2 . . . . 43 N HB2 . 15266 1 459 . 1 1 43 43 ASN HD21 H 1 7.714 0.05 . 2 . . . . 43 N HD21 . 15266 1 460 . 1 1 43 43 ASN HD22 H 1 7.039 0.05 . 2 . . . . 43 N HD22 . 15266 1 461 . 1 1 43 43 ASN C C 13 177.600 0.3 . 1 . . . . 43 N C . 15266 1 462 . 1 1 43 43 ASN CA C 13 51.280 0.3 . 1 . . . . 43 N CA . 15266 1 463 . 1 1 43 43 ASN CB C 13 38.770 0.3 . 1 . . . . 43 N CB . 15266 1 464 . 1 1 43 43 ASN N N 15 122.100 0.3 . 1 . . . . 43 N N . 15266 1 465 . 1 1 43 43 ASN ND2 N 15 113.680 0.3 . 1 . . . . 43 N ND2 . 15266 1 466 . 1 1 44 44 PRO HA H 1 4.370 0.05 . 1 . . . . 44 P HA . 15266 1 467 . 1 1 44 44 PRO HB2 H 1 1.941 0.05 . 2 . . . . 44 P HB1 . 15266 1 468 . 1 1 44 44 PRO HB3 H 1 2.250 0.05 . 2 . . . . 44 P HB2 . 15266 1 469 . 1 1 44 44 PRO HD2 H 1 3.664 0.05 . 2 . . . . 44 P HD1 . 15266 1 470 . 1 1 44 44 PRO HD3 H 1 3.664 0.05 . 2 . . . . 44 P HD2 . 15266 1 471 . 1 1 44 44 PRO HG2 H 1 1.941 0.05 . 2 . . . . 44 P HG1 . 15266 1 472 . 1 1 44 44 PRO HG3 H 1 1.941 0.05 . 2 . . . . 44 P HG2 . 15266 1 473 . 1 1 44 44 PRO C C 13 174.700 0.3 . 1 . . . . 44 P C . 15266 1 474 . 1 1 44 44 PRO CA C 13 63.140 0.3 . 1 . . . . 44 P CA . 15266 1 475 . 1 1 44 44 PRO CB C 13 31.950 0.3 . 1 . . . . 44 P CB . 15266 1 476 . 1 1 44 44 PRO CD C 13 50.800 0.3 . 1 . . . . 44 P CD . 15266 1 477 . 1 1 44 44 PRO CG C 13 27.300 0.3 . 1 . . . . 44 P CG . 15266 1 478 . 1 1 45 45 ASP H H 1 8.440 0.05 . 1 . . . . 45 D HN . 15266 1 479 . 1 1 45 45 ASP HA H 1 4.779 0.05 . 1 . . . . 45 D HA . 15266 1 480 . 1 1 45 45 ASP HB2 H 1 2.730 0.05 . 2 . . . . 45 D HB1 . 15266 1 481 . 1 1 45 45 ASP HB3 H 1 2.512 0.05 . 2 . . . . 45 D HB2 . 15266 1 482 . 1 1 45 45 ASP C C 13 176.290 0.3 . 1 . . . . 45 D C . 15266 1 483 . 1 1 45 45 ASP CA C 13 51.920 0.3 . 1 . . . . 45 D CA . 15266 1 484 . 1 1 45 45 ASP CB C 13 40.770 0.3 . 1 . . . . 45 D CB . 15266 1 485 . 1 1 45 45 ASP N N 15 122.270 0.3 . 1 . . . . 45 D N . 15266 1 486 . 1 1 46 46 PRO HA H 1 4.410 0.05 . 1 . . . . 46 P HA . 15266 1 487 . 1 1 46 46 PRO HB2 H 1 2.011 0.05 . 2 . . . . 46 P HB1 . 15266 1 488 . 1 1 46 46 PRO HB3 H 1 2.308 0.05 . 2 . . . . 46 P HB2 . 15266 1 489 . 1 1 46 46 PRO HD2 H 1 3.810 0.05 . 2 . . . . 46 P HD1 . 15266 1 490 . 1 1 46 46 PRO HD3 H 1 3.810 0.05 . 2 . . . . 46 P HD2 . 15266 1 491 . 1 1 46 46 PRO HG2 H 1 2.011 0.05 . 2 . . . . 46 P HG1 . 15266 1 492 . 1 1 46 46 PRO HG3 H 1 2.011 0.05 . 2 . . . . 46 P HG2 . 15266 1 493 . 1 1 46 46 PRO C C 13 175.390 0.3 . 1 . . . . 46 P C . 15266 1 494 . 1 1 46 46 PRO CA C 13 63.740 0.3 . 1 . . . . 46 P CA . 15266 1 495 . 1 1 46 46 PRO CB C 13 32.510 0.3 . 1 . . . . 46 P CB . 15266 1 496 . 1 1 46 46 PRO CD C 13 50.800 0.3 . 1 . . . . 46 P CD . 15266 1 497 . 1 1 46 46 PRO CG C 13 27.200 0.3 . 1 . . . . 46 P CG . 15266 1 498 . 1 1 47 47 LEU H H 1 8.376 0.05 . 1 . . . . 47 L HN . 15266 1 499 . 1 1 47 47 LEU HA H 1 4.385 0.05 . 1 . . . . 47 L HA . 15266 1 500 . 1 1 47 47 LEU HB2 H 1 1.570 0.05 . 2 . . . . 47 L HB1 . 15266 1 501 . 1 1 47 47 LEU HB3 H 1 1.570 0.05 . 2 . . . . 47 L HB2 . 15266 1 502 . 1 1 47 47 LEU HD11 H 1 0.910 0.05 . 2 . . . . 47 L HD11 . 15266 1 503 . 1 1 47 47 LEU HD12 H 1 0.910 0.05 . 2 . . . . 47 L HD11 . 15266 1 504 . 1 1 47 47 LEU HD13 H 1 0.910 0.05 . 2 . . . . 47 L HD11 . 15266 1 505 . 1 1 47 47 LEU HD21 H 1 0.870 0.05 . 2 . . . . 47 L HD21 . 15266 1 506 . 1 1 47 47 LEU HD22 H 1 0.870 0.05 . 2 . . . . 47 L HD21 . 15266 1 507 . 1 1 47 47 LEU HD23 H 1 0.870 0.05 . 2 . . . . 47 L HD21 . 15266 1 508 . 1 1 47 47 LEU HG H 1 1.687 0.05 . 1 . . . . 47 L HG . 15266 1 509 . 1 1 47 47 LEU C C 13 173.700 0.3 . 1 . . . . 47 L C . 15266 1 510 . 1 1 47 47 LEU CA C 13 55.014 0.3 . 1 . . . . 47 L CA . 15266 1 511 . 1 1 47 47 LEU CB C 13 41.868 0.3 . 1 . . . . 47 L CB . 15266 1 512 . 1 1 47 47 LEU CD1 C 13 24.800 0.3 . 1 . . . . 47 L CD1 . 15266 1 513 . 1 1 47 47 LEU CD2 C 13 23.100 0.3 . 1 . . . . 47 L CD2 . 15266 1 514 . 1 1 47 47 LEU CG C 13 26.800 0.3 . 1 . . . . 47 L CG . 15266 1 515 . 1 1 47 47 LEU N N 15 120.380 0.3 . 1 . . . . 47 L N . 15266 1 516 . 1 1 48 48 ALA H H 1 8.010 0.05 . 1 . . . . 48 A HN . 15266 1 517 . 1 1 48 48 ALA HA H 1 4.301 0.05 . 1 . . . . 48 A HA . 15266 1 518 . 1 1 48 48 ALA HB1 H 1 1.396 0.05 . 1 . . . . 48 A HB1 . 15266 1 519 . 1 1 48 48 ALA HB2 H 1 1.396 0.05 . 1 . . . . 48 A HB1 . 15266 1 520 . 1 1 48 48 ALA HB3 H 1 1.396 0.05 . 1 . . . . 48 A HB1 . 15266 1 521 . 1 1 48 48 ALA C C 13 173.350 0.3 . 1 . . . . 48 A C . 15266 1 522 . 1 1 48 48 ALA CA C 13 52.500 0.3 . 1 . . . . 48 A CA . 15266 1 523 . 1 1 48 48 ALA CB C 13 19.372 0.3 . 1 . . . . 48 A CB . 15266 1 524 . 1 1 48 48 ALA N N 15 124.600 0.3 . 1 . . . . 48 A N . 15266 1 525 . 1 1 49 49 THR H H 1 8.148 0.05 . 1 . . . . 49 T HN . 15266 1 526 . 1 1 49 49 THR HA H 1 4.322 0.05 . 1 . . . . 49 T HA . 15266 1 527 . 1 1 49 49 THR HB H 1 4.200 0.05 . 1 . . . . 49 T HB . 15266 1 528 . 1 1 49 49 THR HG21 H 1 1.177 0.05 . 1 . . . . 49 T HG21 . 15266 1 529 . 1 1 49 49 THR HG22 H 1 1.177 0.05 . 1 . . . . 49 T HG21 . 15266 1 530 . 1 1 49 49 THR HG23 H 1 1.177 0.05 . 1 . . . . 49 T HG21 . 15266 1 531 . 1 1 49 49 THR C C 13 176.520 0.3 . 1 . . . . 49 T C . 15266 1 532 . 1 1 49 49 THR CA C 13 61.890 0.3 . 1 . . . . 49 T CA . 15266 1 533 . 1 1 49 49 THR CB C 13 70.006 0.3 . 1 . . . . 49 T CB . 15266 1 534 . 1 1 49 49 THR CG2 C 13 21.030 0.3 . 1 . . . . 49 T CG2 . 15266 1 535 . 1 1 49 49 THR N N 15 113.583 0.3 . 1 . . . . 49 T N . 15266 1 536 . 1 1 50 50 GLU H H 1 8.432 0.05 . 1 . . . . 50 E HN . 15266 1 537 . 1 1 50 50 GLU HA H 1 4.297 0.05 . 1 . . . . 50 E HA . 15266 1 538 . 1 1 50 50 GLU HB2 H 1 1.898 0.05 . 2 . . . . 50 E HB1 . 15266 1 539 . 1 1 50 50 GLU HB3 H 1 1.898 0.05 . 2 . . . . 50 E HB2 . 15266 1 540 . 1 1 50 50 GLU HG2 H 1 2.229 0.05 . 2 . . . . 50 E HG1 . 15266 1 541 . 1 1 50 50 GLU HG3 H 1 2.229 0.05 . 2 . . . . 50 E HG2 . 15266 1 542 . 1 1 50 50 GLU C C 13 174.920 0.3 . 1 . . . . 50 E C . 15266 1 543 . 1 1 50 50 GLU CA C 13 56.290 0.3 . 1 . . . . 50 E CA . 15266 1 544 . 1 1 50 50 GLU CB C 13 30.603 0.3 . 1 . . . . 50 E CB . 15266 1 545 . 1 1 50 50 GLU CG C 13 36.000 0.3 . 1 . . . . 50 E CG . 15266 1 546 . 1 1 50 50 GLU N N 15 123.186 0.3 . 1 . . . . 50 E N . 15266 1 547 . 1 1 51 51 GLU H H 1 8.515 0.05 . 1 . . . . 51 E HN . 15266 1 548 . 1 1 51 51 GLU HA H 1 4.259 0.05 . 1 . . . . 51 E HA . 15266 1 549 . 1 1 51 51 GLU HB2 H 1 1.928 0.05 . 2 . . . . 51 E HB1 . 15266 1 550 . 1 1 51 51 GLU HB3 H 1 1.928 0.05 . 2 . . . . 51 E HB2 . 15266 1 551 . 1 1 51 51 GLU HG2 H 1 2.244 0.05 . 2 . . . . 51 E HG1 . 15266 1 552 . 1 1 51 51 GLU HG3 H 1 2.244 0.05 . 2 . . . . 51 E HG2 . 15266 1 553 . 1 1 51 51 GLU C C 13 174.900 0.3 . 1 . . . . 51 E C . 15266 1 554 . 1 1 51 51 GLU CA C 13 56.265 0.3 . 1 . . . . 51 E CA . 15266 1 555 . 1 1 51 51 GLU CB C 13 30.596 0.3 . 1 . . . . 51 E CB . 15266 1 556 . 1 1 51 51 GLU CG C 13 36.000 0.3 . 1 . . . . 51 E CG . 15266 1 557 . 1 1 51 51 GLU N N 15 122.979 0.3 . 1 . . . . 51 E N . 15266 1 558 . 1 1 52 52 VAL H H 1 8.429 0.05 . 1 . . . . 52 V HN . 15266 1 559 . 1 1 52 52 VAL HA H 1 4.380 0.05 . 1 . . . . 52 V HA . 15266 1 560 . 1 1 52 52 VAL HB H 1 2.037 0.05 . 1 . . . . 52 V HB . 15266 1 561 . 1 1 52 52 VAL HG11 H 1 0.925 0.05 . 2 . . . . 52 V HG11 . 15266 1 562 . 1 1 52 52 VAL HG12 H 1 0.925 0.05 . 2 . . . . 52 V HG11 . 15266 1 563 . 1 1 52 52 VAL HG13 H 1 0.925 0.05 . 2 . . . . 52 V HG11 . 15266 1 564 . 1 1 52 52 VAL HG21 H 1 0.974 0.05 . 2 . . . . 52 V HG21 . 15266 1 565 . 1 1 52 52 VAL HG22 H 1 0.974 0.05 . 2 . . . . 52 V HG21 . 15266 1 566 . 1 1 52 52 VAL HG23 H 1 0.974 0.05 . 2 . . . . 52 V HG21 . 15266 1 567 . 1 1 52 52 VAL C C 13 176.680 0.3 . 1 . . . . 52 V C . 15266 1 568 . 1 1 52 52 VAL CA C 13 60.002 0.3 . 1 . . . . 52 V CA . 15266 1 569 . 1 1 52 52 VAL CB C 13 32.544 0.3 . 1 . . . . 52 V CB . 15266 1 570 . 1 1 52 52 VAL CG1 C 13 20.600 0.3 . 1 . . . . 52 V CG1 . 15266 1 571 . 1 1 52 52 VAL CG2 C 13 20.600 0.3 . 1 . . . . 52 V CG2 . 15266 1 572 . 1 1 52 52 VAL N N 15 124.077 0.3 . 1 . . . . 52 V N . 15266 1 573 . 1 1 53 53 PRO HA H 1 4.407 0.05 . 1 . . . . 53 P HA . 15266 1 574 . 1 1 53 53 PRO HB2 H 1 1.905 0.05 . 2 . . . . 53 P HB1 . 15266 1 575 . 1 1 53 53 PRO HB3 H 1 2.275 0.05 . 2 . . . . 53 P HB2 . 15266 1 576 . 1 1 53 53 PRO HD2 H 1 3.811 0.05 . 2 . . . . 53 P HD1 . 15266 1 577 . 1 1 53 53 PRO HD3 H 1 3.631 0.05 . 2 . . . . 53 P HD2 . 15266 1 578 . 1 1 53 53 PRO HG2 H 1 1.905 0.05 . 2 . . . . 53 P HG1 . 15266 1 579 . 1 1 53 53 PRO HG3 H 1 1.905 0.05 . 2 . . . . 53 P HG2 . 15266 1 580 . 1 1 53 53 PRO C C 13 174.320 0.3 . 1 . . . . 53 P C . 15266 1 581 . 1 1 53 53 PRO CA C 13 63.160 0.3 . 1 . . . . 53 P CA . 15266 1 582 . 1 1 53 53 PRO CB C 13 32.515 0.3 . 1 . . . . 53 P CB . 15266 1 583 . 1 1 53 53 PRO CD C 13 50.800 0.3 . 1 . . . . 53 P CD . 15266 1 584 . 1 1 53 53 PRO CG C 13 27.300 0.3 . 1 . . . . 53 P CG . 15266 1 585 . 1 1 54 54 ASN H H 1 8.659 0.05 . 1 . . . . 54 N HN . 15266 1 586 . 1 1 54 54 ASN HA H 1 4.590 0.05 . 1 . . . . 54 N HA . 15266 1 587 . 1 1 54 54 ASN HB2 H 1 2.735 0.05 . 2 . . . . 54 N HB1 . 15266 1 588 . 1 1 54 54 ASN HB3 H 1 2.830 0.05 . 2 . . . . 54 N HB2 . 15266 1 589 . 1 1 54 54 ASN HD21 H 1 7.670 0.05 . 2 . . . . 54 N HD21 . 15266 1 590 . 1 1 54 54 ASN HD22 H 1 7.000 0.05 . 2 . . . . 54 N HD22 . 15266 1 591 . 1 1 54 54 ASN C C 13 175.730 0.3 . 1 . . . . 54 N C . 15266 1 592 . 1 1 54 54 ASN CA C 13 53.737 0.3 . 1 . . . . 54 N CA . 15266 1 593 . 1 1 54 54 ASN CB C 13 38.765 0.3 . 1 . . . . 54 N CB . 15266 1 594 . 1 1 54 54 ASN N N 15 119.305 0.3 . 1 . . . . 54 N N . 15266 1 595 . 1 1 55 55 GLN H H 1 8.518 0.05 . 1 . . . . 55 Q HN . 15266 1 596 . 1 1 55 55 GLN HA H 1 4.290 0.05 . 1 . . . . 55 Q HA . 15266 1 597 . 1 1 55 55 GLN HB2 H 1 2.091 0.05 . 2 . . . . 55 Q HB1 . 15266 1 598 . 1 1 55 55 GLN HB3 H 1 1.994 0.05 . 2 . . . . 55 Q HB2 . 15266 1 599 . 1 1 55 55 GLN HE21 H 1 6.984 0.05 . 2 . . . . 55 Q HE21 . 15266 1 600 . 1 1 55 55 GLN HE22 H 1 7.698 0.05 . 2 . . . . 55 Q HE22 . 15266 1 601 . 1 1 55 55 GLN HG2 H 1 2.317 0.05 . 2 . . . . 55 Q HG1 . 15266 1 602 . 1 1 55 55 GLN HG3 H 1 2.317 0.05 . 2 . . . . 55 Q HG2 . 15266 1 603 . 1 1 55 55 GLN C C 13 175.162 0.3 . 1 . . . . 55 Q C . 15266 1 604 . 1 1 55 55 GLN CA C 13 55.736 0.3 . 1 . . . . 55 Q CA . 15266 1 605 . 1 1 55 55 GLN CB C 13 29.437 0.3 . 1 . . . . 55 Q CB . 15266 1 606 . 1 1 55 55 GLN CG C 13 33.700 0.3 . 1 . . . . 55 Q CG . 15266 1 607 . 1 1 55 55 GLN N N 15 121.216 0.3 . 1 . . . . 55 Q N . 15266 1 608 . 1 1 56 56 GLU H H 1 8.523 0.05 . 1 . . . . 56 E HN . 15266 1 609 . 1 1 56 56 GLU HA H 1 4.274 0.05 . 1 . . . . 56 E HA . 15266 1 610 . 1 1 56 56 GLU HB2 H 1 1.901 0.05 . 2 . . . . 56 E HB1 . 15266 1 611 . 1 1 56 56 GLU HB3 H 1 1.984 0.05 . 2 . . . . 56 E HB2 . 15266 1 612 . 1 1 56 56 GLU HG2 H 1 2.244 0.05 . 2 . . . . 56 E HG1 . 15266 1 613 . 1 1 56 56 GLU HG3 H 1 2.293 0.05 . 2 . . . . 56 E HG2 . 15266 1 614 . 1 1 56 56 GLU C C 13 174.930 0.3 . 1 . . . . 56 E C . 15266 1 615 . 1 1 56 56 GLU CA C 13 56.311 0.3 . 1 . . . . 56 E CA . 15266 1 616 . 1 1 56 56 GLU CB C 13 30.030 0.3 . 1 . . . . 56 E CB . 15266 1 617 . 1 1 56 56 GLU CG C 13 36.000 0.3 . 1 . . . . 56 E CG . 15266 1 618 . 1 1 56 56 GLU N N 15 122.107 0.3 . 1 . . . . 56 E N . 15266 1 619 . 1 1 57 57 GLN H H 1 8.437 0.05 . 1 . . . . 57 Q HN . 15266 1 620 . 1 1 57 57 GLN HA H 1 4.290 0.05 . 1 . . . . 57 Q HA . 15266 1 621 . 1 1 57 57 GLN HB2 H 1 1.986 0.05 . 2 . . . . 57 Q HB1 . 15266 1 622 . 1 1 57 57 GLN HB3 H 1 1.910 0.05 . 2 . . . . 57 Q HB2 . 15266 1 623 . 1 1 57 57 GLN HG2 H 1 2.280 0.05 . 2 . . . . 57 Q HG1 . 15266 1 624 . 1 1 57 57 GLN HG3 H 1 2.280 0.05 . 2 . . . . 57 Q HG2 . 15266 1 625 . 1 1 57 57 GLN C C 13 175.520 0.3 . 1 . . . . 57 Q C . 15266 1 626 . 1 1 57 57 GLN CA C 13 55.133 0.3 . 1 . . . . 57 Q CA . 15266 1 627 . 1 1 57 57 GLN CB C 13 29.411 0.3 . 1 . . . . 57 Q CB . 15266 1 628 . 1 1 57 57 GLN CG C 13 33.600 0.3 . 1 . . . . 57 Q CG . 15266 1 629 . 1 1 57 57 GLN N N 15 121.760 0.3 . 1 . . . . 57 Q N . 15266 1 630 . 1 1 58 58 ILE H H 1 8.420 0.05 . 1 . . . . 58 I HN . 15266 1 631 . 1 1 58 58 ILE HA H 1 4.387 0.05 . 1 . . . . 58 I HA . 15266 1 632 . 1 1 58 58 ILE HB H 1 1.830 0.05 . 1 . . . . 58 I HB . 15266 1 633 . 1 1 58 58 ILE HD11 H 1 0.831 0.05 . 1 . . . . 58 I HD11 . 15266 1 634 . 1 1 58 58 ILE HD12 H 1 0.831 0.05 . 1 . . . . 58 I HD11 . 15266 1 635 . 1 1 58 58 ILE HD13 H 1 0.831 0.05 . 1 . . . . 58 I HD11 . 15266 1 636 . 1 1 58 58 ILE HG12 H 1 1.120 0.05 . 1 . . . . 58 I HG11 . 15266 1 637 . 1 1 58 58 ILE HG13 H 1 1.440 0.05 . 1 . . . . 58 I HG12 . 15266 1 638 . 1 1 58 58 ILE HG21 H 1 0.910 0.05 . 1 . . . . 58 I HG21 . 15266 1 639 . 1 1 58 58 ILE HG22 H 1 0.910 0.05 . 1 . . . . 58 I HG21 . 15266 1 640 . 1 1 58 58 ILE HG23 H 1 0.910 0.05 . 1 . . . . 58 I HG21 . 15266 1 641 . 1 1 58 58 ILE C C 13 176.510 0.3 . 1 . . . . 58 I C . 15266 1 642 . 1 1 58 58 ILE CA C 13 58.780 0.3 . 1 . . . . 58 I CA . 15266 1 643 . 1 1 58 58 ILE CB C 13 38.741 0.3 . 1 . . . . 58 I CB . 15266 1 644 . 1 1 58 58 ILE CD1 C 13 12.600 0.3 . 1 . . . . 58 I CD1 . 15266 1 645 . 1 1 58 58 ILE CG1 C 13 26.800 0.3 . 1 . . . . 58 I CG1 . 15266 1 646 . 1 1 58 58 ILE CG2 C 13 17.000 0.3 . 1 . . . . 58 I CG2 . 15266 1 647 . 1 1 58 58 ILE N N 15 125.208 0.3 . 1 . . . . 58 I N . 15266 1 648 . 1 1 59 59 PRO HA H 1 4.407 0.05 . 1 . . . . 59 P HA . 15266 1 649 . 1 1 59 59 PRO HB2 H 1 1.937 0.05 . 2 . . . . 59 P HB1 . 15266 1 650 . 1 1 59 59 PRO HB3 H 1 2.270 0.05 . 2 . . . . 59 P HB2 . 15266 1 651 . 1 1 59 59 PRO HD2 H 1 3.620 0.05 . 2 . . . . 59 P HD1 . 15266 1 652 . 1 1 59 59 PRO HD3 H 1 3.780 0.05 . 2 . . . . 59 P HD2 . 15266 1 653 . 1 1 59 59 PRO HG2 H 1 1.980 0.05 . 2 . . . . 59 P HG1 . 15266 1 654 . 1 1 59 59 PRO HG3 H 1 1.980 0.05 . 2 . . . . 59 P HG2 . 15266 1 655 . 1 1 59 59 PRO C C 13 174.260 0.3 . 1 . . . . 59 P C . 15266 1 656 . 1 1 59 59 PRO CA C 13 63.168 0.3 . 1 . . . . 59 P CA . 15266 1 657 . 1 1 59 59 PRO CB C 13 31.897 0.3 . 1 . . . . 59 P CB . 15266 1 658 . 1 1 59 59 PRO CD C 13 50.800 0.3 . 1 . . . . 59 P CD . 15266 1 659 . 1 1 59 59 PRO CG C 13 27.320 0.3 . 1 . . . . 59 P CG . 15266 1 660 . 1 1 60 60 GLU H H 1 8.628 0.05 . 1 . . . . 60 E HN . 15266 1 661 . 1 1 60 60 GLU HA H 1 4.164 0.05 . 1 . . . . 60 E HA . 15266 1 662 . 1 1 60 60 GLU HB2 H 1 1.961 0.05 . 2 . . . . 60 E HB1 . 15266 1 663 . 1 1 60 60 GLU HB3 H 1 1.961 0.05 . 2 . . . . 60 E HB2 . 15266 1 664 . 1 1 60 60 GLU HG2 H 1 2.259 0.05 . 2 . . . . 60 E HG1 . 15266 1 665 . 1 1 60 60 GLU HG3 H 1 2.259 0.05 . 2 . . . . 60 E HG2 . 15266 1 666 . 1 1 60 60 GLU C C 13 174.350 0.3 . 1 . . . . 60 E C . 15266 1 667 . 1 1 60 60 GLU CA C 13 56.901 0.3 . 1 . . . . 60 E CA . 15266 1 668 . 1 1 60 60 GLU CB C 13 30.029 0.3 . 1 . . . . 60 E CB . 15266 1 669 . 1 1 60 60 GLU CG C 13 36.000 0.3 . 1 . . . . 60 E CG . 15266 1 670 . 1 1 60 60 GLU N N 15 121.798 0.3 . 1 . . . . 60 E N . 15266 1 671 . 1 1 61 61 GLU H H 1 8.591 0.05 . 1 . . . . 61 E HN . 15266 1 672 . 1 1 61 61 GLU HA H 1 4.206 0.05 . 1 . . . . 61 E HA . 15266 1 673 . 1 1 61 61 GLU HB2 H 1 1.932 0.05 . 2 . . . . 61 E HB1 . 15266 1 674 . 1 1 61 61 GLU HB3 H 1 1.932 0.05 . 2 . . . . 61 E HB2 . 15266 1 675 . 1 1 61 61 GLU HG2 H 1 2.238 0.05 . 2 . . . . 61 E HG1 . 15266 1 676 . 1 1 61 61 GLU HG3 H 1 2.238 0.05 . 2 . . . . 61 E HG2 . 15266 1 677 . 1 1 61 61 GLU C C 13 174.205 0.3 . 1 . . . . 61 E C . 15266 1 678 . 1 1 61 61 GLU CA C 13 56.901 0.3 . 1 . . . . 61 E CA . 15266 1 679 . 1 1 61 61 GLU CB C 13 30.029 0.3 . 1 . . . . 61 E CB . 15266 1 680 . 1 1 61 61 GLU CG C 13 36.200 0.3 . 1 . . . . 61 E CG . 15266 1 681 . 1 1 61 61 GLU N N 15 121.850 0.3 . 1 . . . . 61 E N . 15266 1 682 . 1 1 62 62 GLY H H 1 8.469 0.05 . 1 . . . . 62 G HN . 15266 1 683 . 1 1 62 62 GLY HA2 H 1 3.837 0.05 . 2 . . . . 62 G HA1 . 15266 1 684 . 1 1 62 62 GLY HA3 H 1 3.837 0.05 . 2 . . . . 62 G HA2 . 15266 1 685 . 1 1 62 62 GLY C C 13 177.280 0.3 . 1 . . . . 62 G C . 15266 1 686 . 1 1 62 62 GLY CA C 13 45.031 0.3 . 1 . . . . 62 G CA . 15266 1 687 . 1 1 62 62 GLY N N 15 109.758 0.3 . 1 . . . . 62 G N . 15266 1 688 . 1 1 63 63 PHE H H 1 8.063 0.05 . 1 . . . . 63 F HN . 15266 1 689 . 1 1 63 63 PHE HA H 1 4.585 0.05 . 1 . . . . 63 F HA . 15266 1 690 . 1 1 63 63 PHE HB2 H 1 2.984 0.05 . 2 . . . . 63 F HB1 . 15266 1 691 . 1 1 63 63 PHE HB3 H 1 2.984 0.05 . 2 . . . . 63 F HB2 . 15266 1 692 . 1 1 63 63 PHE HD1 H 1 7.023 0.05 . 3 . . . . 63 F HD1 . 15266 1 693 . 1 1 63 63 PHE HD2 H 1 7.023 0.05 . 3 . . . . 63 F HD2 . 15266 1 694 . 1 1 63 63 PHE HE1 H 1 7.264 0.05 . 3 . . . . 63 F HE1 . 15266 1 695 . 1 1 63 63 PHE HE2 H 1 7.264 0.05 . 3 . . . . 63 F HE2 . 15266 1 696 . 1 1 63 63 PHE HZ H 1 7.134 0.05 . 1 . . . . 63 F HZ . 15266 1 697 . 1 1 63 63 PHE C C 13 175.480 0.3 . 1 . . . . 63 F C . 15266 1 698 . 1 1 63 63 PHE CA C 13 57.625 0.3 . 1 . . . . 63 F CA . 15266 1 699 . 1 1 63 63 PHE CB C 13 39.424 0.3 . 1 . . . . 63 F CB . 15266 1 700 . 1 1 63 63 PHE N N 15 119.715 0.3 . 1 . . . . 63 F N . 15266 1 701 . 1 1 64 64 ILE H H 1 8.118 0.05 . 1 . . . . 64 I HN . 15266 1 702 . 1 1 64 64 ILE HA H 1 4.012 0.05 . 1 . . . . 64 I HA . 15266 1 703 . 1 1 64 64 ILE HB H 1 1.706 0.05 . 1 . . . . 64 I HB . 15266 1 704 . 1 1 64 64 ILE HD11 H 1 0.777 0.05 . 1 . . . . 64 I HD11 . 15266 1 705 . 1 1 64 64 ILE HD12 H 1 0.777 0.05 . 1 . . . . 64 I HD11 . 15266 1 706 . 1 1 64 64 ILE HD13 H 1 0.777 0.05 . 1 . . . . 64 I HD11 . 15266 1 707 . 1 1 64 64 ILE HG12 H 1 1.340 0.05 . 1 . . . . 64 I HG11 . 15266 1 708 . 1 1 64 64 ILE HG13 H 1 1.050 0.05 . 1 . . . . 64 I HG12 . 15266 1 709 . 1 1 64 64 ILE HG21 H 1 0.744 0.05 . 1 . . . . 64 I HG21 . 15266 1 710 . 1 1 64 64 ILE HG22 H 1 0.744 0.05 . 1 . . . . 64 I HG21 . 15266 1 711 . 1 1 64 64 ILE HG23 H 1 0.744 0.05 . 1 . . . . 64 I HG21 . 15266 1 712 . 1 1 64 64 ILE C C 13 175.320 0.3 . 1 . . . . 64 I C . 15266 1 713 . 1 1 64 64 ILE CA C 13 61.278 0.3 . 1 . . . . 64 I CA . 15266 1 714 . 1 1 64 64 ILE CB C 13 38.775 0.3 . 1 . . . . 64 I CB . 15266 1 715 . 1 1 64 64 ILE CD1 C 13 12.520 0.3 . 1 . . . . 64 I CD1 . 15266 1 716 . 1 1 64 64 ILE CG1 C 13 27.300 0.3 . 1 . . . . 64 I CG1 . 15266 1 717 . 1 1 64 64 ILE CG2 C 13 17.100 0.3 . 1 . . . . 64 I CG2 . 15266 1 718 . 1 1 64 64 ILE N N 15 122.324 0.3 . 1 . . . . 64 I N . 15266 1 719 . 1 1 65 65 HIS H H 1 8.621 0.05 . 1 . . . . 65 H HN . 15266 1 720 . 1 1 65 65 HIS HA H 1 4.700 0.05 . 1 . . . . 65 H HA . 15266 1 721 . 1 1 65 65 HIS HB2 H 1 3.113 0.05 . 2 . . . . 65 H HB1 . 15266 1 722 . 1 1 65 65 HIS HB3 H 1 3.196 0.05 . 2 . . . . 65 H HB2 . 15266 1 723 . 1 1 65 65 HIS HE1 H 1 7.188 0.05 . 1 . . . . 65 H HE1 . 15266 1 724 . 1 1 65 65 HIS C C 13 176.370 0.3 . 1 . . . . 65 H C . 15266 1 725 . 1 1 65 65 HIS CA C 13 55.606 0.3 . 1 . . . . 65 H CA . 15266 1 726 . 1 1 65 65 HIS CB C 13 29.398 0.3 . 1 . . . . 65 H CB . 15266 1 727 . 1 1 65 65 HIS N N 15 123.121 0.3 . 1 . . . . 65 H N . 15266 1 728 . 1 1 66 66 THR H H 1 8.243 0.05 . 1 . . . . 66 T HN . 15266 1 729 . 1 1 66 66 THR HA H 1 4.270 0.05 . 1 . . . . 66 T HA . 15266 1 730 . 1 1 66 66 THR HB H 1 4.070 0.05 . 1 . . . . 66 T HB . 15266 1 731 . 1 1 66 66 THR HG21 H 1 1.055 0.05 . 1 . . . . 66 T HG21 . 15266 1 732 . 1 1 66 66 THR HG22 H 1 1.055 0.05 . 1 . . . . 66 T HG21 . 15266 1 733 . 1 1 66 66 THR HG23 H 1 1.055 0.05 . 1 . . . . 66 T HG21 . 15266 1 734 . 1 1 66 66 THR C C 13 176.880 0.3 . 1 . . . . 66 T C . 15266 1 735 . 1 1 66 66 THR CA C 13 61.919 0.3 . 1 . . . . 66 T CA . 15266 1 736 . 1 1 66 66 THR CB C 13 70.020 0.3 . 1 . . . . 66 T CB . 15266 1 737 . 1 1 66 66 THR CG2 C 13 21.200 0.3 . 1 . . . . 66 T CG2 . 15266 1 738 . 1 1 66 66 THR N N 15 116.402 0.3 . 1 . . . . 66 T N . 15266 1 739 . 1 1 67 67 GLN H H 1 8.539 0.05 . 1 . . . . 67 Q HN . 15266 1 740 . 1 1 67 67 GLN HA H 1 4.235 0.05 . 1 . . . . 67 Q HA . 15266 1 741 . 1 1 67 67 GLN HB2 H 1 1.890 0.05 . 2 . . . . 67 Q HB1 . 15266 1 742 . 1 1 67 67 GLN HB3 H 1 2.136 0.05 . 2 . . . . 67 Q HB2 . 15266 1 743 . 1 1 67 67 GLN HG2 H 1 2.360 0.05 . 2 . . . . 67 Q HG1 . 15266 1 744 . 1 1 67 67 GLN HG3 H 1 2.360 0.05 . 2 . . . . 67 Q HG2 . 15266 1 745 . 1 1 67 67 GLN C C 13 175.510 0.3 . 1 . . . . 67 Q C . 15266 1 746 . 1 1 67 67 GLN CA C 13 55.652 0.3 . 1 . . . . 67 Q CA . 15266 1 747 . 1 1 67 67 GLN CB C 13 29.432 0.3 . 1 . . . . 67 Q CB . 15266 1 748 . 1 1 67 67 GLN CG C 13 32.500 0.3 . 1 . . . . 67 Q CG . 15266 1 749 . 1 1 67 67 GLN N N 15 122.721 0.3 . 1 . . . . 67 Q N . 15266 1 750 . 1 1 68 68 TYR H H 1 8.372 0.05 . 1 . . . . 68 Y HN . 15266 1 751 . 1 1 68 68 TYR HA H 1 4.531 0.05 . 1 . . . . 68 Y HA . 15266 1 752 . 1 1 68 68 TYR HB2 H 1 3.036 0.05 . 2 . . . . 68 Y HB1 . 15266 1 753 . 1 1 68 68 TYR HB3 H 1 2.892 0.05 . 2 . . . . 68 Y HB2 . 15266 1 754 . 1 1 68 68 TYR HE1 H 1 7.170 0.05 . 3 . . . . 68 Y HE1 . 15266 1 755 . 1 1 68 68 TYR HE2 H 1 7.090 0.05 . 3 . . . . 68 Y HE2 . 15266 1 756 . 1 1 68 68 TYR C C 13 174.570 0.3 . 1 . . . . 68 Y C . 15266 1 757 . 1 1 68 68 TYR CA C 13 58.173 0.3 . 1 . . . . 68 Y CA . 15266 1 758 . 1 1 68 68 TYR CB C 13 38.741 0.3 . 1 . . . . 68 Y CB . 15266 1 759 . 1 1 68 68 TYR N N 15 121.620 0.3 . 1 . . . . 68 Y N . 15266 1 760 . 1 1 69 69 GLY H H 1 8.373 0.05 . 1 . . . . 69 G HN . 15266 1 761 . 1 1 69 69 GLY HA2 H 1 3.904 0.05 . 2 . . . . 69 G HA1 . 15266 1 762 . 1 1 69 69 GLY HA3 H 1 3.798 0.05 . 2 . . . . 69 G HA2 . 15266 1 763 . 1 1 69 69 GLY C C 13 177.260 0.3 . 1 . . . . 69 G C . 15266 1 764 . 1 1 69 69 GLY CA C 13 45.039 0.3 . 1 . . . . 69 G CA . 15266 1 765 . 1 1 69 69 GLY N N 15 111.061 0.3 . 1 . . . . 69 G N . 15266 1 766 . 1 1 70 70 GLN H H 1 8.199 0.05 . 1 . . . . 70 Q HN . 15266 1 767 . 1 1 70 70 GLN HA H 1 4.304 0.05 . 1 . . . . 70 Q HA . 15266 1 768 . 1 1 70 70 GLN HB2 H 1 2.052 0.05 . 2 . . . . 70 Q HB1 . 15266 1 769 . 1 1 70 70 GLN HB3 H 1 1.929 0.05 . 2 . . . . 70 Q HB2 . 15266 1 770 . 1 1 70 70 GLN HE21 H 1 6.915 0.05 . 2 . . . . 70 Q HE21 . 15266 1 771 . 1 1 70 70 GLN HE22 H 1 7.540 0.05 . 2 . . . . 70 Q HE22 . 15266 1 772 . 1 1 70 70 GLN HG2 H 1 2.290 0.05 . 2 . . . . 70 Q HG1 . 15266 1 773 . 1 1 70 70 GLN HG3 H 1 2.290 0.05 . 2 . . . . 70 Q HG2 . 15266 1 774 . 1 1 70 70 GLN C C 13 175.310 0.3 . 1 . . . . 70 Q C . 15266 1 775 . 1 1 70 70 GLN CA C 13 55.652 0.3 . 1 . . . . 70 Q CA . 15266 1 776 . 1 1 70 70 GLN CB C 13 29.950 0.3 . 1 . . . . 70 Q CB . 15266 1 777 . 1 1 70 70 GLN CG C 13 33.800 0.3 . 1 . . . . 70 Q CG . 15266 1 778 . 1 1 70 70 GLN N N 15 119.795 0.3 . 1 . . . . 70 Q N . 15266 1 779 . 1 1 71 71 LYS H H 1 8.548 0.05 . 1 . . . . 71 K HN . 15266 1 780 . 1 1 71 71 LYS HA H 1 4.550 0.05 . 1 . . . . 71 K HA . 15266 1 781 . 1 1 71 71 LYS HB2 H 1 1.750 0.05 . 2 . . . . 71 K HB1 . 15266 1 782 . 1 1 71 71 LYS HB3 H 1 1.750 0.05 . 2 . . . . 71 K HB2 . 15266 1 783 . 1 1 71 71 LYS HD2 H 1 1.690 0.05 . 2 . . . . 71 K HD1 . 15266 1 784 . 1 1 71 71 LYS HD3 H 1 1.690 0.05 . 2 . . . . 71 K HD2 . 15266 1 785 . 1 1 71 71 LYS HE2 H 1 3.100 0.05 . 2 . . . . 71 K HE1 . 15266 1 786 . 1 1 71 71 LYS HE3 H 1 3.100 0.05 . 2 . . . . 71 K HE2 . 15266 1 787 . 1 1 71 71 LYS HG2 H 1 1.440 0.05 . 2 . . . . 71 K HG1 . 15266 1 788 . 1 1 71 71 LYS HG3 H 1 1.440 0.05 . 2 . . . . 71 K HG2 . 15266 1 789 . 1 1 71 71 LYS C C 13 176.680 0.3 . 1 . . . . 71 K C . 15266 1 790 . 1 1 71 71 LYS CA C 13 54.419 0.3 . 1 . . . . 71 K CA . 15266 1 791 . 1 1 71 71 LYS CB C 13 32.513 0.3 . 1 . . . . 71 K CB . 15266 1 792 . 1 1 71 71 LYS CD C 13 33.000 0.3 . 1 . . . . 71 K CD . 15266 1 793 . 1 1 71 71 LYS CE C 13 41.800 0.3 . 1 . . . . 71 K CE . 15266 1 794 . 1 1 71 71 LYS CG C 13 24.700 0.3 . 1 . . . . 71 K CG . 15266 1 795 . 1 1 71 71 LYS N N 15 124.561 0.3 . 1 . . . . 71 K N . 15266 1 796 . 1 1 72 72 PRO HA H 1 4.387 0.05 . 1 . . . . 72 P HA . 15266 1 797 . 1 1 72 72 PRO HB2 H 1 1.958 0.05 . 2 . . . . 72 P HB1 . 15266 1 798 . 1 1 72 72 PRO HB3 H 1 2.271 0.05 . 2 . . . . 72 P HB2 . 15266 1 799 . 1 1 72 72 PRO HD2 H 1 3.600 0.05 . 2 . . . . 72 P HD1 . 15266 1 800 . 1 1 72 72 PRO HD3 H 1 3.600 0.05 . 2 . . . . 72 P HD2 . 15266 1 801 . 1 1 72 72 PRO HG2 H 1 1.958 0.05 . 2 . . . . 72 P HG1 . 15266 1 802 . 1 1 72 72 PRO HG3 H 1 1.958 0.05 . 2 . . . . 72 P HG2 . 15266 1 803 . 1 1 72 72 PRO C C 13 174.200 0.3 . 1 . . . . 72 P C . 15266 1 804 . 1 1 72 72 PRO CA C 13 63.159 0.3 . 1 . . . . 72 P CA . 15266 1 805 . 1 1 72 72 PRO CB C 13 31.950 0.3 . 1 . . . . 72 P CB . 15266 1 806 . 1 1 72 72 PRO CD C 13 51.100 0.3 . 1 . . . . 72 P CD . 15266 1 807 . 1 1 72 72 PRO CG C 13 27.390 0.3 . 1 . . . . 72 P CG . 15266 1 808 . 1 1 73 73 GLU H H 1 8.614 0.05 . 1 . . . . 73 E HN . 15266 1 809 . 1 1 73 73 GLU HA H 1 4.188 0.05 . 1 . . . . 73 E HA . 15266 1 810 . 1 1 73 73 GLU HB2 H 1 1.881 0.05 . 2 . . . . 73 E HB1 . 15266 1 811 . 1 1 73 73 GLU HB3 H 1 2.000 0.05 . 2 . . . . 73 E HB2 . 15266 1 812 . 1 1 73 73 GLU HG2 H 1 2.249 0.05 . 2 . . . . 73 E HG1 . 15266 1 813 . 1 1 73 73 GLU HG3 H 1 2.249 0.05 . 2 . . . . 73 E HG2 . 15266 1 814 . 1 1 73 73 GLU C C 13 174.900 0.3 . 1 . . . . 73 E C . 15266 1 815 . 1 1 73 73 GLU CA C 13 56.286 0.3 . 1 . . . . 73 E CA . 15266 1 816 . 1 1 73 73 GLU CB C 13 30.113 0.3 . 1 . . . . 73 E CB . 15266 1 817 . 1 1 73 73 GLU CG C 13 36.000 0.3 . 1 . . . . 73 E CG . 15266 1 818 . 1 1 73 73 GLU N N 15 121.600 0.3 . 1 . . . . 73 E N . 15266 1 819 . 1 1 74 74 GLN H H 1 8.532 0.05 . 1 . . . . 74 Q HN . 15266 1 820 . 1 1 74 74 GLN HA H 1 4.210 0.05 . 1 . . . . 74 Q HA . 15266 1 821 . 1 1 74 74 GLN HB2 H 1 2.139 0.05 . 2 . . . . 74 Q HB1 . 15266 1 822 . 1 1 74 74 GLN HB3 H 1 2.139 0.05 . 2 . . . . 74 Q HB2 . 15266 1 823 . 1 1 74 74 GLN HE21 H 1 7.503 0.05 . 2 . . . . 74 Q HE21 . 15266 1 824 . 1 1 74 74 GLN HE22 H 1 6.899 0.05 . 2 . . . . 74 Q HE22 . 15266 1 825 . 1 1 74 74 GLN HG2 H 1 2.298 0.05 . 2 . . . . 74 Q HG1 . 15266 1 826 . 1 1 74 74 GLN HG3 H 1 2.298 0.05 . 2 . . . . 74 Q HG2 . 15266 1 827 . 1 1 74 74 GLN C C 13 175.470 0.3 . 1 . . . . 74 Q C . 15266 1 828 . 1 1 74 74 GLN CA C 13 56.891 0.3 . 1 . . . . 74 Q CA . 15266 1 829 . 1 1 74 74 GLN CB C 13 30.026 0.3 . 1 . . . . 74 Q CB . 15266 1 830 . 1 1 74 74 GLN CG C 13 36.000 0.3 . 1 . . . . 74 Q CG . 15266 1 831 . 1 1 74 74 GLN N N 15 122.640 0.3 . 1 . . . . 74 Q N . 15266 1 832 . 1 1 74 74 GLN NE2 N 15 112.700 0.3 . 1 . . . . 74 Q NE2 . 15266 1 833 . 1 1 75 75 PRO HA H 1 4.431 0.05 . 1 . . . . 75 P HA . 15266 1 834 . 1 1 75 75 PRO HB2 H 1 1.932 0.05 . 2 . . . . 75 P HB1 . 15266 1 835 . 1 1 75 75 PRO HB3 H 1 2.293 0.05 . 2 . . . . 75 P HB2 . 15266 1 836 . 1 1 75 75 PRO HD2 H 1 3.610 0.05 . 2 . . . . 75 P HD1 . 15266 1 837 . 1 1 75 75 PRO HD3 H 1 3.760 0.05 . 2 . . . . 75 P HD2 . 15266 1 838 . 1 1 75 75 PRO HG2 H 1 1.932 0.05 . 2 . . . . 75 P HG1 . 15266 1 839 . 1 1 75 75 PRO HG3 H 1 1.932 0.05 . 2 . . . . 75 P HG2 . 15266 1 840 . 1 1 75 75 PRO C C 13 174.130 0.3 . 1 . . . . 75 P C . 15266 1 841 . 1 1 75 75 PRO CA C 13 63.170 0.3 . 1 . . . . 75 P CA . 15266 1 842 . 1 1 75 75 PRO CB C 13 32.002 0.3 . 1 . . . . 75 P CB . 15266 1 843 . 1 1 75 75 PRO CD C 13 51.060 0.3 . 1 . . . . 75 P CD . 15266 1 844 . 1 1 75 75 PRO CG C 13 27.300 0.3 . 1 . . . . 75 P CG . 15266 1 845 . 1 1 76 76 SER H H 1 8.600 0.05 . 1 . . . . 76 S HN . 15266 1 846 . 1 1 76 76 SER HA H 1 4.415 0.05 . 1 . . . . 76 S HA . 15266 1 847 . 1 1 76 76 SER HB2 H 1 3.885 0.05 . 2 . . . . 76 S HB1 . 15266 1 848 . 1 1 76 76 SER HB3 H 1 3.885 0.05 . 2 . . . . 76 S HB2 . 15266 1 849 . 1 1 76 76 SER C C 13 175.700 0.3 . 1 . . . . 76 S C . 15266 1 850 . 1 1 76 76 SER CA C 13 58.219 0.3 . 1 . . . . 76 S CA . 15266 1 851 . 1 1 76 76 SER CB C 13 63.772 0.3 . 1 . . . . 76 S CB . 15266 1 852 . 1 1 76 76 SER N N 15 116.642 0.3 . 1 . . . . 76 S N . 15266 1 853 . 1 1 77 77 GLY H H 1 8.543 0.05 . 1 . . . . 77 G HN . 15266 1 854 . 1 1 77 77 GLY HA2 H 1 3.945 0.05 . 2 . . . . 77 G HA1 . 15266 1 855 . 1 1 77 77 GLY HA3 H 1 3.945 0.05 . 2 . . . . 77 G HA2 . 15266 1 856 . 1 1 77 77 GLY C C 13 176.880 0.3 . 1 . . . . 77 G C . 15266 1 857 . 1 1 77 77 GLY CA C 13 45.101 0.3 . 1 . . . . 77 G CA . 15266 1 858 . 1 1 77 77 GLY N N 15 111.120 0.3 . 1 . . . . 77 G N . 15266 1 859 . 1 1 78 78 ALA H H 1 8.267 0.05 . 1 . . . . 78 A HN . 15266 1 860 . 1 1 78 78 ALA HA H 1 4.286 0.05 . 1 . . . . 78 A HA . 15266 1 861 . 1 1 78 78 ALA HB1 H 1 1.351 0.05 . 1 . . . . 78 A HB1 . 15266 1 862 . 1 1 78 78 ALA HB2 H 1 1.351 0.05 . 1 . . . . 78 A HB1 . 15266 1 863 . 1 1 78 78 ALA HB3 H 1 1.351 0.05 . 1 . . . . 78 A HB1 . 15266 1 864 . 1 1 78 78 ALA C C 13 172.980 0.3 . 1 . . . . 78 A C . 15266 1 865 . 1 1 78 78 ALA CA C 13 52.821 0.3 . 1 . . . . 78 A CA . 15266 1 866 . 1 1 78 78 ALA CB C 13 19.360 0.3 . 1 . . . . 78 A CB . 15266 1 867 . 1 1 78 78 ALA N N 15 123.890 0.3 . 1 . . . . 78 A N . 15266 1 868 . 1 1 79 79 SER H H 1 8.360 0.05 . 1 . . . . 79 S HN . 15266 1 869 . 1 1 79 79 SER HA H 1 4.404 0.05 . 1 . . . . 79 S HA . 15266 1 870 . 1 1 79 79 SER HB2 H 1 3.875 0.05 . 2 . . . . 79 S HB1 . 15266 1 871 . 1 1 79 79 SER HB3 H 1 3.875 0.05 . 2 . . . . 79 S HB2 . 15266 1 872 . 1 1 79 79 SER C C 13 176.480 0.3 . 1 . . . . 79 S C . 15266 1 873 . 1 1 79 79 SER CA C 13 58.152 0.3 . 1 . . . . 79 S CA . 15266 1 874 . 1 1 79 79 SER CB C 13 63.761 0.3 . 1 . . . . 79 S CB . 15266 1 875 . 1 1 79 79 SER N N 15 115.011 0.3 . 1 . . . . 79 S N . 15266 1 876 . 1 1 80 80 ALA H H 1 8.321 0.05 . 1 . . . . 80 A HN . 15266 1 877 . 1 1 80 80 ALA HA H 1 4.261 0.05 . 1 . . . . 80 A HA . 15266 1 878 . 1 1 80 80 ALA HB1 H 1 1.355 0.05 . 1 . . . . 80 A HB1 . 15266 1 879 . 1 1 80 80 ALA HB2 H 1 1.355 0.05 . 1 . . . . 80 A HB1 . 15266 1 880 . 1 1 80 80 ALA HB3 H 1 1.355 0.05 . 1 . . . . 80 A HB1 . 15266 1 881 . 1 1 80 80 ALA C C 13 172.920 0.3 . 1 . . . . 80 A C . 15266 1 882 . 1 1 80 80 ALA CA C 13 53.035 0.3 . 1 . . . . 80 A CA . 15266 1 883 . 1 1 80 80 ALA CB C 13 18.844 0.3 . 1 . . . . 80 A CB . 15266 1 884 . 1 1 80 80 ALA N N 15 125.776 0.3 . 1 . . . . 80 A N . 15266 1 885 . 1 1 81 81 GLY H H 1 8.353 0.05 . 1 . . . . 81 G HN . 15266 1 886 . 1 1 81 81 GLY HA2 H 1 3.847 0.05 . 2 . . . . 81 G HA1 . 15266 1 887 . 1 1 81 81 GLY HA3 H 1 3.847 0.05 . 2 . . . . 81 G HA2 . 15266 1 888 . 1 1 81 81 GLY C C 13 177.270 0.3 . 1 . . . . 81 G C . 15266 1 889 . 1 1 81 81 GLY CA C 13 45.048 0.3 . 1 . . . . 81 G CA . 15266 1 890 . 1 1 81 81 GLY N N 15 107.629 0.3 . 1 . . . . 81 G N . 15266 1 891 . 1 1 82 82 HIS H H 1 8.245 0.05 . 1 . . . . 82 H HN . 15266 1 892 . 1 1 82 82 HIS HA H 1 4.565 0.05 . 1 . . . . 82 H HA . 15266 1 893 . 1 1 82 82 HIS HB2 H 1 3.030 0.05 . 2 . . . . 82 H HB1 . 15266 1 894 . 1 1 82 82 HIS HB3 H 1 2.980 0.05 . 2 . . . . 82 H HB2 . 15266 1 895 . 1 1 82 82 HIS HE2 H 1 6.920 0.05 . 1 . . . . 82 H HE2 . 15266 1 896 . 1 1 82 82 HIS C C 13 176.900 0.3 . 1 . . . . 82 H C . 15266 1 897 . 1 1 82 82 HIS CA C 13 55.375 0.3 . 1 . . . . 82 H CA . 15266 1 898 . 1 1 82 82 HIS CB C 13 29.398 0.3 . 1 . . . . 82 H CB . 15266 1 899 . 1 1 82 82 HIS N N 15 118.312 0.3 . 1 . . . . 82 H N . 15266 1 900 . 1 1 83 83 ARG H H 1 8.302 0.05 . 1 . . . . 83 R HN . 15266 1 901 . 1 1 83 83 ARG HA H 1 4.187 0.05 . 1 . . . . 83 R HA . 15266 1 902 . 1 1 83 83 ARG HB2 H 1 1.570 0.05 . 2 . . . . 83 R HB1 . 15266 1 903 . 1 1 83 83 ARG HB3 H 1 1.570 0.05 . 2 . . . . 83 R HB2 . 15266 1 904 . 1 1 83 83 ARG HD2 H 1 3.060 0.05 . 2 . . . . 83 R HD1 . 15266 1 905 . 1 1 83 83 ARG HD3 H 1 3.060 0.05 . 2 . . . . 83 R HD2 . 15266 1 906 . 1 1 83 83 ARG HG2 H 1 1.425 0.05 . 2 . . . . 83 R HG1 . 15266 1 907 . 1 1 83 83 ARG HG3 H 1 1.354 0.05 . 2 . . . . 83 R HG2 . 15266 1 908 . 1 1 83 83 ARG HH11 H 1 7.219 0.05 . 1 . . . . 83 R HH11 . 15266 1 909 . 1 1 83 83 ARG HH12 H 1 6.811 0.05 . 1 . . . . 83 R HH12 . 15266 1 910 . 1 1 83 83 ARG C C 13 175.530 0.3 . 1 . . . . 83 R C . 15266 1 911 . 1 1 83 83 ARG CA C 13 56.176 0.3 . 1 . . . . 83 R CA . 15266 1 912 . 1 1 83 83 ARG CB C 13 30.682 0.3 . 1 . . . . 83 R CB . 15266 1 913 . 1 1 83 83 ARG CD C 13 43.400 0.3 . 1 . . . . 83 R CD . 15266 1 914 . 1 1 83 83 ARG CG C 13 26.800 0.3 . 1 . . . . 83 R CG . 15266 1 915 . 1 1 83 83 ARG N N 15 122.403 0.3 . 1 . . . . 83 R N . 15266 1 916 . 1 1 84 84 PHE H H 1 8.414 0.05 . 1 . . . . 84 F HN . 15266 1 917 . 1 1 84 84 PHE HA H 1 4.500 0.05 . 1 . . . . 84 F HA . 15266 1 918 . 1 1 84 84 PHE HB2 H 1 2.972 0.05 . 2 . . . . 84 F HB1 . 15266 1 919 . 1 1 84 84 PHE HB3 H 1 2.972 0.05 . 2 . . . . 84 F HB2 . 15266 1 920 . 1 1 84 84 PHE C C 13 177.270 0.3 . 1 . . . . 84 F C . 15266 1 921 . 1 1 84 84 PHE CA C 13 55.647 0.3 . 1 . . . . 84 F CA . 15266 1 922 . 1 1 84 84 PHE CB C 13 38.778 0.3 . 1 . . . . 84 F CB . 15266 1 923 . 1 1 84 84 PHE N N 15 121.615 0.3 . 1 . . . . 84 F N . 15266 1 924 . 1 1 85 85 PRO HA H 1 4.400 0.05 . 1 . . . . 85 P HA . 15266 1 925 . 1 1 85 85 PRO HB2 H 1 1.917 0.05 . 2 . . . . 85 P HB1 . 15266 1 926 . 1 1 85 85 PRO HB3 H 1 2.294 0.05 . 2 . . . . 85 P HB2 . 15266 1 927 . 1 1 85 85 PRO HD2 H 1 3.550 0.05 . 2 . . . . 85 P HD1 . 15266 1 928 . 1 1 85 85 PRO HD3 H 1 3.470 0.05 . 2 . . . . 85 P HD2 . 15266 1 929 . 1 1 85 85 PRO HG2 H 1 2.025 0.05 . 2 . . . . 85 P HG1 . 15266 1 930 . 1 1 85 85 PRO HG3 H 1 2.025 0.05 . 2 . . . . 85 P HG2 . 15266 1 931 . 1 1 85 85 PRO C C 13 174.150 0.3 . 1 . . . . 85 P C . 15266 1 932 . 1 1 85 85 PRO CA C 13 63.138 0.3 . 1 . . . . 85 P CA . 15266 1 933 . 1 1 85 85 PRO CB C 13 32.091 0.3 . 1 . . . . 85 P CB . 15266 1 934 . 1 1 85 85 PRO CD C 13 51.000 0.3 . 1 . . . . 85 P CD . 15266 1 935 . 1 1 85 85 PRO CG C 13 27.300 0.3 . 1 . . . . 85 P CG . 15266 1 936 . 1 1 86 86 GLN H H 1 8.680 0.05 . 1 . . . . 86 Q HN . 15266 1 937 . 1 1 86 86 GLN HA H 1 4.245 0.05 . 1 . . . . 86 Q HA . 15266 1 938 . 1 1 86 86 GLN HB2 H 1 1.997 0.05 . 2 . . . . 86 Q HB1 . 15266 1 939 . 1 1 86 86 GLN HB3 H 1 1.997 0.05 . 2 . . . . 86 Q HB2 . 15266 1 940 . 1 1 86 86 GLN HE21 H 1 7.175 0.05 . 2 . . . . 86 Q HE21 . 15266 1 941 . 1 1 86 86 GLN HE22 H 1 7.822 0.05 . 2 . . . . 86 Q HE22 . 15266 1 942 . 1 1 86 86 GLN HG2 H 1 2.379 0.05 . 2 . . . . 86 Q HG1 . 15266 1 943 . 1 1 86 86 GLN HG3 H 1 2.379 0.05 . 2 . . . . 86 Q HG2 . 15266 1 944 . 1 1 86 86 GLN C C 13 174.220 0.3 . 1 . . . . 86 Q C . 15266 1 945 . 1 1 86 86 GLN CA C 13 56.397 0.3 . 1 . . . . 86 Q CA . 15266 1 946 . 1 1 86 86 GLN CB C 13 29.352 0.3 . 1 . . . . 86 Q CB . 15266 1 947 . 1 1 86 86 GLN CG C 13 33.700 0.3 . 1 . . . . 86 Q CG . 15266 1 948 . 1 1 86 86 GLN N N 15 120.948 0.3 . 1 . . . . 86 Q N . 15266 1 949 . 1 1 87 87 GLY H H 1 8.623 0.05 . 1 . . . . 87 G HN . 15266 1 950 . 1 1 87 87 GLY HA2 H 1 3.982 0.05 . 2 . . . . 87 G HA1 . 15266 1 951 . 1 1 87 87 GLY HA3 H 1 3.828 0.05 . 2 . . . . 87 G HA2 . 15266 1 952 . 1 1 87 87 GLY C C 13 177.270 0.3 . 1 . . . . 87 G C . 15266 1 953 . 1 1 87 87 GLY CA C 13 45.021 0.3 . 1 . . . . 87 G CA . 15266 1 954 . 1 1 87 87 GLY N N 15 111.020 0.3 . 1 . . . . 87 G N . 15266 1 955 . 1 1 88 88 TYR H H 1 8.043 0.05 . 1 . . . . 88 Y HN . 15266 1 956 . 1 1 88 88 TYR HA H 1 4.358 0.05 . 1 . . . . 88 Y HA . 15266 1 957 . 1 1 88 88 TYR HB2 H 1 2.818 0.05 . 2 . . . . 88 Y HB1 . 15266 1 958 . 1 1 88 88 TYR HB3 H 1 2.965 0.05 . 2 . . . . 88 Y HB2 . 15266 1 959 . 1 1 88 88 TYR HD1 H 1 6.860 0.05 . 3 . . . . 88 Y HD1 . 15266 1 960 . 1 1 88 88 TYR HE1 H 1 7.149 0.05 . 3 . . . . 88 Y HE1 . 15266 1 961 . 1 1 88 88 TYR C C 13 175.500 0.3 . 1 . . . . 88 Y C . 15266 1 962 . 1 1 88 88 TYR CA C 13 58.747 0.3 . 1 . . . . 88 Y CA . 15266 1 963 . 1 1 88 88 TYR CB C 13 39.290 0.3 . 1 . . . . 88 Y CB . 15266 1 964 . 1 1 88 88 TYR N N 15 120.767 0.3 . 1 . . . . 88 Y N . 15266 1 965 . 1 1 89 89 HIS H H 1 8.349 0.05 . 1 . . . . 89 H HN . 15266 1 966 . 1 1 89 89 HIS HA H 1 4.512 0.05 . 1 . . . . 89 H HA . 15266 1 967 . 1 1 89 89 HIS HB2 H 1 3.122 0.05 . 2 . . . . 89 H HB1 . 15266 1 968 . 1 1 89 89 HIS HB3 H 1 2.956 0.05 . 2 . . . . 89 H HB2 . 15266 1 969 . 1 1 89 89 HIS HE1 H 1 7.085 0.05 . 1 . . . . 89 H HE1 . 15266 1 970 . 1 1 89 89 HIS HE2 H 1 7.070 0.05 . 1 . . . . 89 H HE2 . 15266 1 971 . 1 1 89 89 HIS C C 13 177.300 0.3 . 1 . . . . 89 H C . 15266 1 972 . 1 1 89 89 HIS CA C 13 55.030 0.3 . 1 . . . . 89 H CA . 15266 1 973 . 1 1 89 89 HIS CB C 13 29.443 0.3 . 1 . . . . 89 H CB . 15266 1 974 . 1 1 89 89 HIS N N 15 121.708 0.3 . 1 . . . . 89 H N . 15266 1 975 . 1 1 90 90 SER H H 1 8.243 0.05 . 1 . . . . 90 S HN . 15266 1 976 . 1 1 90 90 SER HA H 1 4.277 0.05 . 1 . . . . 90 S HA . 15266 1 977 . 1 1 90 90 SER HB2 H 1 3.830 0.05 . 2 . . . . 90 S HB1 . 15266 1 978 . 1 1 90 90 SER HB3 H 1 3.830 0.05 . 2 . . . . 90 S HB2 . 15266 1 979 . 1 1 90 90 SER C C 13 176.900 0.3 . 1 . . . . 90 S C . 15266 1 980 . 1 1 90 90 SER CA C 13 58.183 0.3 . 1 . . . . 90 S CA . 15266 1 981 . 1 1 90 90 SER CB C 13 63.761 0.3 . 1 . . . . 90 S CB . 15266 1 982 . 1 1 90 90 SER N N 15 117.077 0.3 . 1 . . . . 90 S N . 15266 1 983 . 1 1 91 91 ASP H H 1 8.524 0.05 . 1 . . . . 91 D HN . 15266 1 984 . 1 1 91 91 ASP HA H 1 4.600 0.05 . 1 . . . . 91 D HA . 15266 1 985 . 1 1 91 91 ASP HB2 H 1 2.679 0.05 . 2 . . . . 91 D HB1 . 15266 1 986 . 1 1 91 91 ASP HB3 H 1 2.679 0.05 . 2 . . . . 91 D HB2 . 15266 1 987 . 1 1 91 91 ASP C C 13 175.300 0.3 . 1 . . . . 91 D C . 15266 1 988 . 1 1 91 91 ASP CA C 13 54.349 0.3 . 1 . . . . 91 D CA . 15266 1 989 . 1 1 91 91 ASP CB C 13 41.208 0.3 . 1 . . . . 91 D CB . 15266 1 990 . 1 1 91 91 ASP N N 15 122.979 0.3 . 1 . . . . 91 D N . 15266 1 991 . 1 1 92 92 LYS H H 1 8.357 0.05 . 1 . . . . 92 K HN . 15266 1 992 . 1 1 92 92 LYS HA H 1 4.209 0.05 . 1 . . . . 92 K HA . 15266 1 993 . 1 1 92 92 LYS HB2 H 1 1.829 0.05 . 2 . . . . 92 K HB1 . 15266 1 994 . 1 1 92 92 LYS HB3 H 1 1.726 0.05 . 2 . . . . 92 K HB2 . 15266 1 995 . 1 1 92 92 LYS HD2 H 1 1.716 0.05 . 2 . . . . 92 K HD1 . 15266 1 996 . 1 1 92 92 LYS HD3 H 1 1.716 0.05 . 2 . . . . 92 K HD2 . 15266 1 997 . 1 1 92 92 LYS HE2 H 1 2.950 0.05 . 2 . . . . 92 K HE1 . 15266 1 998 . 1 1 92 92 LYS HE3 H 1 2.950 0.05 . 2 . . . . 92 K HE2 . 15266 1 999 . 1 1 92 92 LYS HG2 H 1 1.398 0.05 . 2 . . . . 92 K HG1 . 15266 1 1000 . 1 1 92 92 LYS HG3 H 1 1.398 0.05 . 2 . . . . 92 K HG2 . 15266 1 1001 . 1 1 92 92 LYS C C 13 174.050 0.3 . 1 . . . . 92 K C . 15266 1 1002 . 1 1 92 92 LYS CA C 13 56.942 0.3 . 1 . . . . 92 K CA . 15266 1 1003 . 1 1 92 92 LYS CB C 13 32.519 0.3 . 1 . . . . 92 K CB . 15266 1 1004 . 1 1 92 92 LYS CD C 13 33.000 0.3 . 1 . . . . 92 K CD . 15266 1 1005 . 1 1 92 92 LYS CE C 13 42.200 0.3 . 1 . . . . 92 K CE . 15266 1 1006 . 1 1 92 92 LYS CG C 13 24.530 0.3 . 1 . . . . 92 K CG . 15266 1 1007 . 1 1 92 92 LYS N N 15 122.178 0.3 . 1 . . . . 92 K N . 15266 1 1008 . 1 1 93 93 ARG H H 1 8.319 0.05 . 1 . . . . 93 R HN . 15266 1 1009 . 1 1 93 93 ARG HA H 1 4.208 0.05 . 1 . . . . 93 R HA . 15266 1 1010 . 1 1 93 93 ARG HB2 H 1 1.786 0.05 . 2 . . . . 93 R HB1 . 15266 1 1011 . 1 1 93 93 ARG HB3 H 1 1.786 0.05 . 2 . . . . 93 R HB2 . 15266 1 1012 . 1 1 93 93 ARG HD2 H 1 3.150 0.05 . 2 . . . . 93 R HD1 . 15266 1 1013 . 1 1 93 93 ARG HD3 H 1 3.150 0.05 . 2 . . . . 93 R HD2 . 15266 1 1014 . 1 1 93 93 ARG HG2 H 1 1.609 0.05 . 2 . . . . 93 R HG1 . 15266 1 1015 . 1 1 93 93 ARG HG3 H 1 1.609 0.05 . 2 . . . . 93 R HG2 . 15266 1 1016 . 1 1 93 93 ARG C C 13 174.550 0.3 . 1 . . . . 93 R C . 15266 1 1017 . 1 1 93 93 ARG CA C 13 56.828 0.3 . 1 . . . . 93 R CA . 15266 1 1018 . 1 1 93 93 ARG CB C 13 30.065 0.3 . 1 . . . . 93 R CB . 15266 1 1019 . 1 1 93 93 ARG CD C 13 43.300 0.3 . 1 . . . . 93 R CD . 15266 1 1020 . 1 1 93 93 ARG CG C 13 27.000 0.3 . 1 . . . . 93 R CG . 15266 1 1021 . 1 1 93 93 ARG N N 15 121.434 0.3 . 1 . . . . 93 R N . 15266 1 1022 . 1 1 94 94 ARG H H 1 8.312 0.05 . 1 . . . . 94 R HN . 15266 1 1023 . 1 1 94 94 ARG HA H 1 4.275 0.05 . 1 . . . . 94 R HA . 15266 1 1024 . 1 1 94 94 ARG HB2 H 1 1.757 0.05 . 2 . . . . 94 R HB1 . 15266 1 1025 . 1 1 94 94 ARG HB3 H 1 1.757 0.05 . 2 . . . . 94 R HB2 . 15266 1 1026 . 1 1 94 94 ARG HD2 H 1 3.156 0.05 . 2 . . . . 94 R HD1 . 15266 1 1027 . 1 1 94 94 ARG HD3 H 1 3.156 0.05 . 2 . . . . 94 R HD2 . 15266 1 1028 . 1 1 94 94 ARG HG2 H 1 1.660 0.05 . 2 . . . . 94 R HG1 . 15266 1 1029 . 1 1 94 94 ARG HG3 H 1 1.660 0.05 . 2 . . . . 94 R HG2 . 15266 1 1030 . 1 1 94 94 ARG C C 13 174.750 0.3 . 1 . . . . 94 R C . 15266 1 1031 . 1 1 94 94 ARG CA C 13 56.300 0.3 . 1 . . . . 94 R CA . 15266 1 1032 . 1 1 94 94 ARG CB C 13 30.640 0.3 . 1 . . . . 94 R CB . 15266 1 1033 . 1 1 94 94 ARG CD C 13 43.300 0.3 . 1 . . . . 94 R CD . 15266 1 1034 . 1 1 94 94 ARG CG C 13 26.900 0.3 . 1 . . . . 94 R CG . 15266 1 1035 . 1 1 94 94 ARG N N 15 121.929 0.3 . 1 . . . . 94 R N . 15266 1 1036 . 1 1 95 95 LEU H H 1 8.325 0.05 . 1 . . . . 95 L HN . 15266 1 1037 . 1 1 95 95 LEU HA H 1 4.288 0.05 . 1 . . . . 95 L HA . 15266 1 1038 . 1 1 95 95 LEU HB2 H 1 1.633 0.05 . 2 . . . . 95 L HB1 . 15266 1 1039 . 1 1 95 95 LEU HB3 H 1 1.633 0.05 . 2 . . . . 95 L HB2 . 15266 1 1040 . 1 1 95 95 LEU HD11 H 1 0.835 0.05 . 2 . . . . 95 L HD11 . 15266 1 1041 . 1 1 95 95 LEU HD12 H 1 0.835 0.05 . 2 . . . . 95 L HD11 . 15266 1 1042 . 1 1 95 95 LEU HD13 H 1 0.835 0.05 . 2 . . . . 95 L HD11 . 15266 1 1043 . 1 1 95 95 LEU HD21 H 1 0.835 0.05 . 2 . . . . 95 L HD21 . 15266 1 1044 . 1 1 95 95 LEU HD22 H 1 0.835 0.05 . 2 . . . . 95 L HD21 . 15266 1 1045 . 1 1 95 95 LEU HD23 H 1 0.835 0.05 . 2 . . . . 95 L HD21 . 15266 1 1046 . 1 1 95 95 LEU HG H 1 1.662 0.05 . 1 . . . . 95 L HG . 15266 1 1047 . 1 1 95 95 LEU C C 13 173.580 0.3 . 1 . . . . 95 L C . 15266 1 1048 . 1 1 95 95 LEU CA C 13 55.036 0.3 . 1 . . . . 95 L CA . 15266 1 1049 . 1 1 95 95 LEU CB C 13 42.505 0.3 . 1 . . . . 95 L CB . 15266 1 1050 . 1 1 95 95 LEU CD1 C 13 24.800 0.3 . 1 . . . . 95 L CD1 . 15266 1 1051 . 1 1 95 95 LEU CD2 C 13 23.200 0.3 . 1 . . . . 95 L CD2 . 15266 1 1052 . 1 1 95 95 LEU CG C 13 26.780 0.3 . 1 . . . . 95 L CG . 15266 1 1053 . 1 1 95 95 LEU N N 15 123.374 0.3 . 1 . . . . 95 L N . 15266 1 1054 . 1 1 96 96 SER H H 1 8.341 0.05 . 1 . . . . 96 S HN . 15266 1 1055 . 1 1 96 96 SER HA H 1 4.400 0.05 . 1 . . . . 96 S HA . 15266 1 1056 . 1 1 96 96 SER HB2 H 1 3.873 0.05 . 2 . . . . 96 S HB1 . 15266 1 1057 . 1 1 96 96 SER HB3 H 1 3.873 0.05 . 2 . . . . 96 S HB2 . 15266 1 1058 . 1 1 96 96 SER C C 13 176.500 0.3 . 1 . . . . 96 S C . 15266 1 1059 . 1 1 96 96 SER CA C 13 58.323 0.3 . 1 . . . . 96 S CA . 15266 1 1060 . 1 1 96 96 SER CB C 13 63.765 0.3 . 1 . . . . 96 S CB . 15266 1 1061 . 1 1 96 96 SER N N 15 116.982 0.3 . 1 . . . . 96 S N . 15266 1 1062 . 1 1 97 97 LYS H H 1 8.458 0.05 . 1 . . . . 97 K HN . 15266 1 1063 . 1 1 97 97 LYS HA H 1 4.291 0.05 . 1 . . . . 97 K HA . 15266 1 1064 . 1 1 97 97 LYS HB2 H 1 1.828 0.05 . 2 . . . . 97 K HB1 . 15266 1 1065 . 1 1 97 97 LYS HB3 H 1 1.828 0.05 . 2 . . . . 97 K HB2 . 15266 1 1066 . 1 1 97 97 LYS HD2 H 1 1.730 0.05 . 2 . . . . 97 K HD1 . 15266 1 1067 . 1 1 97 97 LYS HD3 H 1 1.730 0.05 . 2 . . . . 97 K HD2 . 15266 1 1068 . 1 1 97 97 LYS HE2 H 1 2.984 0.05 . 2 . . . . 97 K HE1 . 15266 1 1069 . 1 1 97 97 LYS HE3 H 1 2.984 0.05 . 2 . . . . 97 K HE2 . 15266 1 1070 . 1 1 97 97 LYS HG2 H 1 1.428 0.05 . 2 . . . . 97 K HG1 . 15266 1 1071 . 1 1 97 97 LYS HG3 H 1 1.428 0.05 . 2 . . . . 97 K HG2 . 15266 1 1072 . 1 1 97 97 LYS C C 13 174.540 0.3 . 1 . . . . 97 K C . 15266 1 1073 . 1 1 97 97 LYS CA C 13 56.294 0.3 . 1 . . . . 97 K CA . 15266 1 1074 . 1 1 97 97 LYS CB C 13 33.143 0.3 . 1 . . . . 97 K CB . 15266 1 1075 . 1 1 97 97 LYS CD C 13 32.830 0.3 . 1 . . . . 97 K CD . 15266 1 1076 . 1 1 97 97 LYS CE C 13 42.130 0.3 . 1 . . . . 97 K CE . 15266 1 1077 . 1 1 97 97 LYS CG C 13 24.700 0.3 . 1 . . . . 97 K CG . 15266 1 1078 . 1 1 97 97 LYS N N 15 123.653 0.3 . 1 . . . . 97 K N . 15266 1 1079 . 1 1 98 98 ALA H H 1 8.404 0.05 . 1 . . . . 98 A HN . 15266 1 1080 . 1 1 98 98 ALA HA H 1 4.284 0.05 . 1 . . . . 98 A HA . 15266 1 1081 . 1 1 98 98 ALA HB1 H 1 1.381 0.05 . 1 . . . . 98 A HB1 . 15266 1 1082 . 1 1 98 98 ALA HB2 H 1 1.381 0.05 . 1 . . . . 98 A HB1 . 15266 1 1083 . 1 1 98 98 ALA HB3 H 1 1.381 0.05 . 1 . . . . 98 A HB1 . 15266 1 1084 . 1 1 98 98 ALA C C 13 173.100 0.3 . 1 . . . . 98 A C . 15266 1 1085 . 1 1 98 98 ALA CA C 13 53.068 0.3 . 1 . . . . 98 A CA . 15266 1 1086 . 1 1 98 98 ALA CB C 13 19.134 0.3 . 1 . . . . 98 A CB . 15266 1 1087 . 1 1 98 98 ALA N N 15 125.186 0.3 . 1 . . . . 98 A N . 15266 1 1088 . 1 1 99 99 SER H H 1 8.357 0.05 . 1 . . . . 99 S HN . 15266 1 1089 . 1 1 99 99 SER HA H 1 4.404 0.05 . 1 . . . . 99 S HA . 15266 1 1090 . 1 1 99 99 SER HB2 H 1 3.860 0.05 . 2 . . . . 99 S HB1 . 15266 1 1091 . 1 1 99 99 SER HB3 H 1 3.860 0.05 . 2 . . . . 99 S HB2 . 15266 1 1092 . 1 1 99 99 SER C C 13 176.300 0.3 . 1 . . . . 99 S C . 15266 1 1093 . 1 1 99 99 SER CA C 13 58.176 0.3 . 1 . . . . 99 S CA . 15266 1 1094 . 1 1 99 99 SER CB C 13 63.773 0.3 . 1 . . . . 99 S CB . 15266 1 1095 . 1 1 99 99 SER N N 15 115.283 0.3 . 1 . . . . 99 S N . 15266 1 1096 . 1 1 100 100 SER H H 1 8.398 0.05 . 1 . . . . 100 S HN . 15266 1 1097 . 1 1 100 100 SER HA H 1 4.439 0.05 . 1 . . . . 100 S HA . 15266 1 1098 . 1 1 100 100 SER HB2 H 1 3.908 0.05 . 2 . . . . 100 S HB1 . 15266 1 1099 . 1 1 100 100 SER HB3 H 1 3.879 0.05 . 2 . . . . 100 S HB2 . 15266 1 1100 . 1 1 100 100 SER C C 13 176.500 0.3 . 1 . . . . 100 S C . 15266 1 1101 . 1 1 100 100 SER CA C 13 58.184 0.3 . 1 . . . . 100 S CA . 15266 1 1102 . 1 1 100 100 SER CB C 13 63.758 0.3 . 1 . . . . 100 S CB . 15266 1 1103 . 1 1 100 100 SER N N 15 118.251 0.3 . 1 . . . . 100 S N . 15266 1 1104 . 1 1 101 101 LYS H H 1 8.328 0.05 . 1 . . . . 101 K HN . 15266 1 1105 . 1 1 101 101 LYS HA H 1 4.300 0.05 . 1 . . . . 101 K HA . 15266 1 1106 . 1 1 101 101 LYS HB2 H 1 1.820 0.05 . 2 . . . . 101 K HB1 . 15266 1 1107 . 1 1 101 101 LYS HB3 H 1 1.820 0.05 . 2 . . . . 101 K HB2 . 15266 1 1108 . 1 1 101 101 LYS HD2 H 1 1.719 0.05 . 2 . . . . 101 K HD1 . 15266 1 1109 . 1 1 101 101 LYS HD3 H 1 1.719 0.05 . 2 . . . . 101 K HD2 . 15266 1 1110 . 1 1 101 101 LYS HE2 H 1 3.161 0.05 . 2 . . . . 101 K HE1 . 15266 1 1111 . 1 1 101 101 LYS HE3 H 1 3.161 0.05 . 2 . . . . 101 K HE2 . 15266 1 1112 . 1 1 101 101 LYS HG2 H 1 1.417 0.05 . 2 . . . . 101 K HG1 . 15266 1 1113 . 1 1 101 101 LYS HG3 H 1 1.417 0.05 . 2 . . . . 101 K HG2 . 15266 1 1114 . 1 1 101 101 LYS C C 13 174.500 0.3 . 1 . . . . 101 K C . 15266 1 1115 . 1 1 101 101 LYS CA C 13 56.245 0.3 . 1 . . . . 101 K CA . 15266 1 1116 . 1 1 101 101 LYS CB C 13 33.139 0.3 . 1 . . . . 101 K CB . 15266 1 1117 . 1 1 101 101 LYS CD C 13 29.100 0.3 . 1 . . . . 101 K CD . 15266 1 1118 . 1 1 101 101 LYS CE C 13 43.390 0.3 . 1 . . . . 101 K CE . 15266 1 1119 . 1 1 101 101 LYS CG C 13 24.600 0.3 . 1 . . . . 101 K CG . 15266 1 1120 . 1 1 101 101 LYS N N 15 123.321 0.3 . 1 . . . . 101 K N . 15266 1 1121 . 1 1 102 102 ALA H H 1 8.342 0.05 . 1 . . . . 102 A HN . 15266 1 1122 . 1 1 102 102 ALA HA H 1 4.267 0.05 . 1 . . . . 102 A HA . 15266 1 1123 . 1 1 102 102 ALA HB1 H 1 1.366 0.05 . 1 . . . . 102 A HB1 . 15266 1 1124 . 1 1 102 102 ALA HB2 H 1 1.366 0.05 . 1 . . . . 102 A HB1 . 15266 1 1125 . 1 1 102 102 ALA HB3 H 1 1.366 0.05 . 1 . . . . 102 A HB1 . 15266 1 1126 . 1 1 102 102 ALA C C 13 173.350 0.3 . 1 . . . . 102 A C . 15266 1 1127 . 1 1 102 102 ALA CA C 13 52.554 0.3 . 1 . . . . 102 A CA . 15266 1 1128 . 1 1 102 102 ALA CB C 13 19.368 0.3 . 1 . . . . 102 A CB . 15266 1 1129 . 1 1 102 102 ALA N N 15 125.503 0.3 . 1 . . . . 102 A N . 15266 1 1130 . 1 1 103 103 ARG H H 1 8.431 0.05 . 1 . . . . 103 R HN . 15266 1 1131 . 1 1 103 103 ARG HA H 1 4.261 0.05 . 1 . . . . 103 R HA . 15266 1 1132 . 1 1 103 103 ARG HB2 H 1 1.770 0.05 . 2 . . . . 103 R HB1 . 15266 1 1133 . 1 1 103 103 ARG HB3 H 1 1.861 0.05 . 2 . . . . 103 R HB2 . 15266 1 1134 . 1 1 103 103 ARG HD2 H 1 3.184 0.05 . 2 . . . . 103 R HD1 . 15266 1 1135 . 1 1 103 103 ARG HD3 H 1 3.184 0.05 . 2 . . . . 103 R HD2 . 15266 1 1136 . 1 1 103 103 ARG HG2 H 1 1.670 0.05 . 2 . . . . 103 R HG1 . 15266 1 1137 . 1 1 103 103 ARG HG3 H 1 1.670 0.05 . 2 . . . . 103 R HG2 . 15266 1 1138 . 1 1 103 103 ARG C C 13 174.530 0.3 . 1 . . . . 103 R C . 15266 1 1139 . 1 1 103 103 ARG CA C 13 56.271 0.3 . 1 . . . . 103 R CA . 15266 1 1140 . 1 1 103 103 ARG CB C 13 31.250 0.3 . 1 . . . . 103 R CB . 15266 1 1141 . 1 1 103 103 ARG CD C 13 43.360 0.3 . 1 . . . . 103 R CD . 15266 1 1142 . 1 1 103 103 ARG CG C 13 26.900 0.3 . 1 . . . . 103 R CG . 15266 1 1143 . 1 1 103 103 ARG N N 15 120.731 0.3 . 1 . . . . 103 R N . 15266 1 1144 . 1 1 104 104 SER H H 1 8.513 0.05 . 1 . . . . 104 S HN . 15266 1 1145 . 1 1 104 104 SER HA H 1 4.410 0.05 . 1 . . . . 104 S HA . 15266 1 1146 . 1 1 104 104 SER HB2 H 1 3.879 0.05 . 2 . . . . 104 S HB1 . 15266 1 1147 . 1 1 104 104 SER HB3 H 1 3.879 0.05 . 2 . . . . 104 S HB2 . 15266 1 1148 . 1 1 104 104 SER C C 13 176.700 0.3 . 1 . . . . 104 S C . 15266 1 1149 . 1 1 104 104 SER CA C 13 58.624 0.3 . 1 . . . . 104 S CA . 15266 1 1150 . 1 1 104 104 SER CB C 13 63.727 0.3 . 1 . . . . 104 S CB . 15266 1 1151 . 1 1 104 104 SER N N 15 117.283 0.3 . 1 . . . . 104 S N . 15266 1 1152 . 1 1 105 105 ASP H H 1 8.424 0.05 . 1 . . . . 105 D HN . 15266 1 1153 . 1 1 105 105 ASP HA H 1 4.598 0.05 . 1 . . . . 105 D HA . 15266 1 1154 . 1 1 105 105 ASP HB2 H 1 2.653 0.05 . 2 . . . . 105 D HB1 . 15266 1 1155 . 1 1 105 105 ASP HB3 H 1 2.653 0.05 . 2 . . . . 105 D HB2 . 15266 1 1156 . 1 1 105 105 ASP C C 13 175.300 0.3 . 1 . . . . 105 D C . 15266 1 1157 . 1 1 105 105 ASP CA C 13 54.360 0.3 . 1 . . . . 105 D CA . 15266 1 1158 . 1 1 105 105 ASP CB C 13 41.000 0.3 . 1 . . . . 105 D CB . 15266 1 1159 . 1 1 105 105 ASP N N 15 121.949 0.3 . 1 . . . . 105 D N . 15266 1 1160 . 1 1 106 106 ASP H H 1 8.201 0.05 . 1 . . . . 106 D HN . 15266 1 1161 . 1 1 106 106 ASP HA H 1 4.588 0.05 . 1 . . . . 106 D HA . 15266 1 1162 . 1 1 106 106 ASP HB2 H 1 2.600 0.05 . 2 . . . . 106 D HB1 . 15266 1 1163 . 1 1 106 106 ASP HB3 H 1 2.670 0.05 . 2 . . . . 106 D HB2 . 15266 1 1164 . 1 1 106 106 ASP C C 13 174.800 0.3 . 1 . . . . 106 D C . 15266 1 1165 . 1 1 106 106 ASP CA C 13 54.390 0.3 . 1 . . . . 106 D CA . 15266 1 1166 . 1 1 106 106 ASP CB C 13 41.156 0.3 . 1 . . . . 106 D CB . 15266 1 1167 . 1 1 106 106 ASP N N 15 120.040 0.3 . 1 . . . . 106 D N . 15266 1 1168 . 1 1 107 107 LEU H H 1 8.273 0.05 . 1 . . . . 107 L HN . 15266 1 1169 . 1 1 107 107 LEU HA H 1 4.358 0.05 . 1 . . . . 107 L HA . 15266 1 1170 . 1 1 107 107 LEU HB2 H 1 1.639 0.05 . 2 . . . . 107 L HB1 . 15266 1 1171 . 1 1 107 107 LEU HB3 H 1 1.639 0.05 . 2 . . . . 107 L HB2 . 15266 1 1172 . 1 1 107 107 LEU HD11 H 1 0.843 0.05 . 2 . . . . 107 L HD11 . 15266 1 1173 . 1 1 107 107 LEU HD12 H 1 0.843 0.05 . 2 . . . . 107 L HD11 . 15266 1 1174 . 1 1 107 107 LEU HD13 H 1 0.843 0.05 . 2 . . . . 107 L HD11 . 15266 1 1175 . 1 1 107 107 LEU HD21 H 1 0.843 0.05 . 2 . . . . 107 L HD21 . 15266 1 1176 . 1 1 107 107 LEU HD22 H 1 0.843 0.05 . 2 . . . . 107 L HD21 . 15266 1 1177 . 1 1 107 107 LEU HD23 H 1 0.843 0.05 . 2 . . . . 107 L HD21 . 15266 1 1178 . 1 1 107 107 LEU HG H 1 1.652 0.05 . 1 . . . . 107 L HG . 15266 1 1179 . 1 1 107 107 LEU C C 13 173.560 0.3 . 1 . . . . 107 L C . 15266 1 1180 . 1 1 107 107 LEU CA C 13 55.025 0.3 . 1 . . . . 107 L CA . 15266 1 1181 . 1 1 107 107 LEU CB C 13 41.900 0.3 . 1 . . . . 107 L CB . 15266 1 1182 . 1 1 107 107 LEU CD1 C 13 25.070 0.3 . 1 . . . . 107 L CD1 . 15266 1 1183 . 1 1 107 107 LEU CD2 C 13 23.300 0.3 . 1 . . . . 107 L CD2 . 15266 1 1184 . 1 1 107 107 LEU CG C 13 26.800 0.3 . 1 . . . . 107 L CG . 15266 1 1185 . 1 1 107 107 LEU N N 15 122.402 0.3 . 1 . . . . 107 L N . 15266 1 1186 . 1 1 108 108 SER H H 1 8.379 0.05 . 1 . . . . 108 S HN . 15266 1 1187 . 1 1 108 108 SER HA H 1 4.355 0.05 . 1 . . . . 108 S HA . 15266 1 1188 . 1 1 108 108 SER HB2 H 1 3.855 0.05 . 2 . . . . 108 S HB1 . 15266 1 1189 . 1 1 108 108 SER HB3 H 1 3.855 0.05 . 2 . . . . 108 S HB2 . 15266 1 1190 . 1 1 108 108 SER C C 13 177.300 0.3 . 1 . . . . 108 S C . 15266 1 1191 . 1 1 108 108 SER CA C 13 58.784 0.3 . 1 . . . . 108 S CA . 15266 1 1192 . 1 1 108 108 SER CB C 13 63.711 0.3 . 1 . . . . 108 S CB . 15266 1 1193 . 1 1 108 108 SER N N 15 117.584 0.3 . 1 . . . . 108 S N . 15266 1 1194 . 1 1 109 109 VAL H H 1 7.739 0.05 . 1 . . . . 109 V HN . 15266 1 1195 . 1 1 109 109 VAL HA H 1 4.010 0.05 . 1 . . . . 109 V HA . 15266 1 1196 . 1 1 109 109 VAL HB H 1 2.068 0.05 . 1 . . . . 109 V HB . 15266 1 1197 . 1 1 109 109 VAL HG11 H 1 0.858 0.05 . 2 . . . . 109 V HG11 . 15266 1 1198 . 1 1 109 109 VAL HG12 H 1 0.858 0.05 . 2 . . . . 109 V HG11 . 15266 1 1199 . 1 1 109 109 VAL HG13 H 1 0.858 0.05 . 2 . . . . 109 V HG11 . 15266 1 1200 . 1 1 109 109 VAL HG21 H 1 0.870 0.05 . 2 . . . . 109 V HG21 . 15266 1 1201 . 1 1 109 109 VAL HG22 H 1 0.870 0.05 . 2 . . . . 109 V HG21 . 15266 1 1202 . 1 1 109 109 VAL HG23 H 1 0.870 0.05 . 2 . . . . 109 V HG21 . 15266 1 1203 . 1 1 109 109 VAL C C 13 169.950 0.3 . 1 . . . . 109 V C . 15266 1 1204 . 1 1 109 109 VAL CA C 13 63.490 0.3 . 1 . . . . 109 V CA . 15266 1 1205 . 1 1 109 109 VAL CB C 13 33.201 0.3 . 1 . . . . 109 V CB . 15266 1 1206 . 1 1 109 109 VAL CG1 C 13 17.230 0.3 . 1 . . . . 109 V CG1 . 15266 1 1207 . 1 1 109 109 VAL CG2 C 13 17.230 0.3 . 1 . . . . 109 V CG2 . 15266 1 1208 . 1 1 109 109 VAL N N 15 125.378 0.3 . 1 . . . . 109 V N . 15266 1 stop_ save_