data_19332 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19332 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for p15(PAF) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-01 _Entry.Accession_date 2013-07-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alfredo 'De Biasio' . . . 19332 2 Alain 'Ibanez de Opakua' . . . 19332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 19332 '15N chemical shifts' 107 19332 '1H chemical shifts' 225 19332 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-06-27 2013-07-01 update BMRB 'update entry citation' 19332 1 . . 2013-07-11 2013-07-01 original author 'original release' 19332 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19332 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24559989 _Citation.Full_citation . _Citation.Title 'p15PAF is an intrinsically disordered protein with nonrandom structural preferences at sites of interaction with other proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 106 _Citation.Journal_issue 4 _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 865 _Citation.Page_last 874 _Citation.Year 2014 _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 Alfredo 'De Biasio' . . . 19332 1 2 Alain 'Ibanez de Opakua' . . . 19332 1 3 Tiago Cordeiro . N. . 19332 1 4 Maider Villate . . . 19332 1 5 Nekane Merino . . . 19332 1 6 Nathalie Sibille . . . 19332 1 7 Moreno Lelli . . . 19332 1 8 Tammo Diercks . . . 19332 1 9 Pau Bernado . . . 19332 1 10 Francisco Blanco . J. . 19332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19332 _Assembly.ID 1 _Assembly.Name p15(PAF) _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 p15(PAF) 1 $p15(PAF) A . yes 'intrinsically disordered' no no . . . 19332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p15(PAF) _Entity.Sf_category entity _Entity.Sf_framecode p15(PAF) _Entity.Entry_ID 19332 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p15(PAF) _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 ; MVRTKADSVPGTYRKVVAAR APRKVLGSSTSATNSTSVSS RKAENKYAGGNPVCVRPTPK WQKGIGEFFRLSPKDSEKEN QIPEEAGSSGLGKAKRKACP LQPDHTNDEKE ; _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 111 _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 2015-11-25 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 DBJ BAA03491 . "KIAA0101 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 2 no DBJ BAF83437 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 3 no DBJ BAG72594 . "KIAA0101 [synthetic construct]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 4 no GB AAH05832 . "KIAA0101 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 5 no GB AAH07101 . "KIAA0101 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 6 no GB AAH16782 . "KIAA0101 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 7 no GB AAQ09604 . "NS5ATP9 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 8 no GB AAT06735 . "L5 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 9 no REF NP_001177672 . "PCNA-associated factor [Macaca mulatta]" . . . . . 100.00 111 97.30 97.30 5.79e-71 . . . . 19332 1 10 no REF NP_055551 . "PCNA-associated factor isoform 1 [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 11 no REF XP_003778522 . "PREDICTED: PCNA-associated factor isoform X1 [Pongo abelii]" . . . . . 100.00 111 99.10 100.00 1.88e-73 . . . . 19332 1 12 no REF XP_003828000 . "PREDICTED: PCNA-associated factor isoform X1 [Pan paniscus]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 13 no REF XP_003952718 . "PREDICTED: PCNA-associated factor isoform X1 [Pan troglodytes]" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 1 14 no SP Q15004 . "RecName: Full=PCNA-associated factor; AltName: Full=Hepatitis C virus NS5A-transactivated protein 9; Short=HCV NS5A-transactiva" . . . . . 100.00 111 100.00 100.00 7.12e-74 . . . . 19332 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 . MET . 19332 1 2 . VAL . 19332 1 3 . ARG . 19332 1 4 . THR . 19332 1 5 . LYS . 19332 1 6 . ALA . 19332 1 7 . ASP . 19332 1 8 . SER . 19332 1 9 . VAL . 19332 1 10 . PRO . 19332 1 11 . GLY . 19332 1 12 . THR . 19332 1 13 . TYR . 19332 1 14 . ARG . 19332 1 15 . LYS . 19332 1 16 . VAL . 19332 1 17 . VAL . 19332 1 18 . ALA . 19332 1 19 . ALA . 19332 1 20 . ARG . 19332 1 21 . ALA . 19332 1 22 . PRO . 19332 1 23 . ARG . 19332 1 24 . LYS . 19332 1 25 . VAL . 19332 1 26 . LEU . 19332 1 27 . GLY . 19332 1 28 . SER . 19332 1 29 . SER . 19332 1 30 . THR . 19332 1 31 . SER . 19332 1 32 . ALA . 19332 1 33 . THR . 19332 1 34 . ASN . 19332 1 35 . SER . 19332 1 36 . THR . 19332 1 37 . SER . 19332 1 38 . VAL . 19332 1 39 . SER . 19332 1 40 . SER . 19332 1 41 . ARG . 19332 1 42 . LYS . 19332 1 43 . ALA . 19332 1 44 . GLU . 19332 1 45 . ASN . 19332 1 46 . LYS . 19332 1 47 . TYR . 19332 1 48 . ALA . 19332 1 49 . GLY . 19332 1 50 . GLY . 19332 1 51 . ASN . 19332 1 52 . PRO . 19332 1 53 . VAL . 19332 1 54 . CYS . 19332 1 55 . VAL . 19332 1 56 . ARG . 19332 1 57 . PRO . 19332 1 58 . THR . 19332 1 59 . PRO . 19332 1 60 . LYS . 19332 1 61 . TRP . 19332 1 62 . GLN . 19332 1 63 . LYS . 19332 1 64 . GLY . 19332 1 65 . ILE . 19332 1 66 . GLY . 19332 1 67 . GLU . 19332 1 68 . PHE . 19332 1 69 . PHE . 19332 1 70 . ARG . 19332 1 71 . LEU . 19332 1 72 . SER . 19332 1 73 . PRO . 19332 1 74 . LYS . 19332 1 75 . ASP . 19332 1 76 . SER . 19332 1 77 . GLU . 19332 1 78 . LYS . 19332 1 79 . GLU . 19332 1 80 . ASN . 19332 1 81 . GLN . 19332 1 82 . ILE . 19332 1 83 . PRO . 19332 1 84 . GLU . 19332 1 85 . GLU . 19332 1 86 . ALA . 19332 1 87 . GLY . 19332 1 88 . SER . 19332 1 89 . SER . 19332 1 90 . GLY . 19332 1 91 . LEU . 19332 1 92 . GLY . 19332 1 93 . LYS . 19332 1 94 . ALA . 19332 1 95 . LYS . 19332 1 96 . ARG . 19332 1 97 . LYS . 19332 1 98 . ALA . 19332 1 99 . CYS . 19332 1 100 . PRO . 19332 1 101 . LEU . 19332 1 102 . GLN . 19332 1 103 . PRO . 19332 1 104 . ASP . 19332 1 105 . HIS . 19332 1 106 . THR . 19332 1 107 . ASN . 19332 1 108 . ASP . 19332 1 109 . GLU . 19332 1 110 . LYS . 19332 1 111 . GLU . 19332 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19332 1 . VAL 2 2 19332 1 . ARG 3 3 19332 1 . THR 4 4 19332 1 . LYS 5 5 19332 1 . ALA 6 6 19332 1 . ASP 7 7 19332 1 . SER 8 8 19332 1 . VAL 9 9 19332 1 . PRO 10 10 19332 1 . GLY 11 11 19332 1 . THR 12 12 19332 1 . TYR 13 13 19332 1 . ARG 14 14 19332 1 . LYS 15 15 19332 1 . VAL 16 16 19332 1 . VAL 17 17 19332 1 . ALA 18 18 19332 1 . ALA 19 19 19332 1 . ARG 20 20 19332 1 . ALA 21 21 19332 1 . PRO 22 22 19332 1 . ARG 23 23 19332 1 . LYS 24 24 19332 1 . VAL 25 25 19332 1 . LEU 26 26 19332 1 . GLY 27 27 19332 1 . SER 28 28 19332 1 . SER 29 29 19332 1 . THR 30 30 19332 1 . SER 31 31 19332 1 . ALA 32 32 19332 1 . THR 33 33 19332 1 . ASN 34 34 19332 1 . SER 35 35 19332 1 . THR 36 36 19332 1 . SER 37 37 19332 1 . VAL 38 38 19332 1 . SER 39 39 19332 1 . SER 40 40 19332 1 . ARG 41 41 19332 1 . LYS 42 42 19332 1 . ALA 43 43 19332 1 . GLU 44 44 19332 1 . ASN 45 45 19332 1 . LYS 46 46 19332 1 . TYR 47 47 19332 1 . ALA 48 48 19332 1 . GLY 49 49 19332 1 . GLY 50 50 19332 1 . ASN 51 51 19332 1 . PRO 52 52 19332 1 . VAL 53 53 19332 1 . CYS 54 54 19332 1 . VAL 55 55 19332 1 . ARG 56 56 19332 1 . PRO 57 57 19332 1 . THR 58 58 19332 1 . PRO 59 59 19332 1 . LYS 60 60 19332 1 . TRP 61 61 19332 1 . GLN 62 62 19332 1 . LYS 63 63 19332 1 . GLY 64 64 19332 1 . ILE 65 65 19332 1 . GLY 66 66 19332 1 . GLU 67 67 19332 1 . PHE 68 68 19332 1 . PHE 69 69 19332 1 . ARG 70 70 19332 1 . LEU 71 71 19332 1 . SER 72 72 19332 1 . PRO 73 73 19332 1 . LYS 74 74 19332 1 . ASP 75 75 19332 1 . SER 76 76 19332 1 . GLU 77 77 19332 1 . LYS 78 78 19332 1 . GLU 79 79 19332 1 . ASN 80 80 19332 1 . GLN 81 81 19332 1 . ILE 82 82 19332 1 . PRO 83 83 19332 1 . GLU 84 84 19332 1 . GLU 85 85 19332 1 . ALA 86 86 19332 1 . GLY 87 87 19332 1 . SER 88 88 19332 1 . SER 89 89 19332 1 . GLY 90 90 19332 1 . LEU 91 91 19332 1 . GLY 92 92 19332 1 . LYS 93 93 19332 1 . ALA 94 94 19332 1 . LYS 95 95 19332 1 . ARG 96 96 19332 1 . LYS 97 97 19332 1 . ALA 98 98 19332 1 . CYS 99 99 19332 1 . PRO 100 100 19332 1 . LEU 101 101 19332 1 . GLN 102 102 19332 1 . PRO 103 103 19332 1 . ASP 104 104 19332 1 . HIS 105 105 19332 1 . THR 106 106 19332 1 . ASN 107 107 19332 1 . ASP 108 108 19332 1 . GLU 109 109 19332 1 . LYS 110 110 19332 1 . GLU 111 111 19332 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 19332 _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 $p15(PAF) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19332 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 19332 _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 $p15(PAF) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet11d . . . . . . 19332 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19332 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p15(PAF) '[U-100% 13C; U-100% 15N]' . . 1 $p15(PAF) . . 0.9 . . mM . . . . 19332 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 19332 _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 pH 6.6 . pH 19332 1 pressure 1 . atm 19332 1 temperature 298 . K 19332 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19332 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19332 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19332 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19332 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19332 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 19332 _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 . . . . . . . . . . . . . . . . 19332 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 8 '3D HN(CA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 9 '3D HN(CACO)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 1 10 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19332 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 19332 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19332 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19332 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19332 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 19332 _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' . . . 19332 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 3 3 ARG HA H 1 4.472 0.01 . 1 . . . . 3 ARG HA . 19332 1 2 . 1 1 3 3 ARG C C 13 176.141 0.05 . 1 . . . . 3 ARG C . 19332 1 3 . 1 1 3 3 ARG CA C 13 56.244 0.1 . 1 . . . . 3 ARG CA . 19332 1 4 . 1 1 3 3 ARG CB C 13 30.901 0.1 . 1 . . . . 3 ARG CB . 19332 1 5 . 1 1 3 3 ARG CG C 13 27.096 0.1 . 1 . . . . 3 ARG CG . 19332 1 6 . 1 1 4 4 THR H H 1 8.421 0.01 . 1 . . . . 4 THR H . 19332 1 7 . 1 1 4 4 THR HA H 1 4.341 0.01 . 1 . . . . 4 THR HA . 19332 1 8 . 1 1 4 4 THR C C 13 174.474 0.05 . 1 . . . . 4 THR C . 19332 1 9 . 1 1 4 4 THR CA C 13 61.635 0.1 . 1 . . . . 4 THR CA . 19332 1 10 . 1 1 4 4 THR CB C 13 70.231 0.1 . 1 . . . . 4 THR CB . 19332 1 11 . 1 1 4 4 THR CG2 C 13 21.589 0.1 . 1 . . . . 4 THR CG2 . 19332 1 12 . 1 1 4 4 THR N N 15 117.023 0.05 . 1 . . . . 4 THR N . 19332 1 13 . 1 1 5 5 LYS H H 1 8.420 0.01 . 1 . . . . 5 LYS H . 19332 1 14 . 1 1 5 5 LYS HA H 1 4.259 0.01 . 1 . . . . 5 LYS HA . 19332 1 15 . 1 1 5 5 LYS C C 13 176.395 0.05 . 1 . . . . 5 LYS C . 19332 1 16 . 1 1 5 5 LYS CA C 13 56.551 0.1 . 1 . . . . 5 LYS CA . 19332 1 17 . 1 1 5 5 LYS CB C 13 33.138 0.1 . 1 . . . . 5 LYS CB . 19332 1 18 . 1 1 5 5 LYS N N 15 123.78 0.05 . 1 . . . . 5 LYS N . 19332 1 19 . 1 1 6 6 ALA H H 1 8.360 0.01 . 1 . . . . 6 ALA H . 19332 1 20 . 1 1 6 6 ALA HA H 1 4.278 0.01 . 1 . . . . 6 ALA HA . 19332 1 21 . 1 1 6 6 ALA C C 13 177.487 0.05 . 1 . . . . 6 ALA C . 19332 1 22 . 1 1 6 6 ALA CA C 13 52.68 0.1 . 1 . . . . 6 ALA CA . 19332 1 23 . 1 1 6 6 ALA CB C 13 19.233 0.1 . 1 . . . . 6 ALA CB . 19332 1 24 . 1 1 6 6 ALA N N 15 125.493 0.05 . 1 . . . . 6 ALA N . 19332 1 25 . 1 1 7 7 ASP H H 1 8.214 0.01 . 1 . . . . 7 ASP H . 19332 1 26 . 1 1 7 7 ASP HA H 1 4.572 0.01 . 1 . . . . 7 ASP HA . 19332 1 27 . 1 1 7 7 ASP C C 13 176.25 0.05 . 1 . . . . 7 ASP C . 19332 1 28 . 1 1 7 7 ASP CA C 13 54.399 0.1 . 1 . . . . 7 ASP CA . 19332 1 29 . 1 1 7 7 ASP CB C 13 41.209 0.1 . 1 . . . . 7 ASP CB . 19332 1 30 . 1 1 7 7 ASP N N 15 119.438 0.05 . 1 . . . . 7 ASP N . 19332 1 31 . 1 1 8 8 SER H H 1 8.128 0.01 . 1 . . . . 8 SER H . 19332 1 32 . 1 1 8 8 SER HA H 1 4.435 0.01 . 1 . . . . 8 SER HA . 19332 1 33 . 1 1 8 8 SER C C 13 174.118 0.05 . 1 . . . . 8 SER C . 19332 1 34 . 1 1 8 8 SER CA C 13 58.246 0.1 . 1 . . . . 8 SER CA . 19332 1 35 . 1 1 8 8 SER CB C 13 63.912 0.1 . 1 . . . . 8 SER CB . 19332 1 36 . 1 1 8 8 SER N N 15 115.63 0.05 . 1 . . . . 8 SER N . 19332 1 37 . 1 1 9 9 VAL H H 1 8.122 0.01 . 1 . . . . 9 VAL H . 19332 1 38 . 1 1 9 9 VAL HA H 1 4.399 0.01 . 1 . . . . 9 VAL HA . 19332 1 39 . 1 1 9 9 VAL C C 13 174.611 0.05 . 1 . . . . 9 VAL C . 19332 1 40 . 1 1 9 9 VAL CA C 13 60.091 0.1 . 1 . . . . 9 VAL CA . 19332 1 41 . 1 1 9 9 VAL CB C 13 32.535 0.1 . 1 . . . . 9 VAL CB . 19332 1 42 . 1 1 9 9 VAL N N 15 123.047 0.05 . 1 . . . . 9 VAL N . 19332 1 43 . 1 1 10 10 PRO HA H 1 4.391 0.01 . 1 . . . . 10 PRO HA . 19332 1 44 . 1 1 10 10 PRO C C 13 177.575 0.05 . 1 . . . . 10 PRO C . 19332 1 45 . 1 1 10 10 PRO CA C 13 63.601 0.1 . 1 . . . . 10 PRO CA . 19332 1 46 . 1 1 10 10 PRO CB C 13 32.181 0.1 . 1 . . . . 10 PRO CB . 19332 1 47 . 1 1 10 10 PRO CG C 13 27.372 0.1 . 1 . . . . 10 PRO CG . 19332 1 48 . 1 1 10 10 PRO CD C 13 51.014 0.1 . 1 . . . . 10 PRO CD . 19332 1 49 . 1 1 11 11 GLY H H 1 8.480 0.01 . 1 . . . . 11 GLY H . 19332 1 50 . 1 1 11 11 GLY HA2 H 1 3.973 0.01 . 2 . . . . 11 GLY HA2 . 19332 1 51 . 1 1 11 11 GLY C C 13 174.403 0.05 . 1 . . . . 11 GLY C . 19332 1 52 . 1 1 11 11 GLY CA C 13 45.447 0.1 . 1 . . . . 11 GLY CA . 19332 1 53 . 1 1 11 11 GLY N N 15 109.116 0.05 . 1 . . . . 11 GLY N . 19332 1 54 . 1 1 12 12 THR H H 1 7.889 0.01 . 1 . . . . 12 THR H . 19332 1 55 . 1 1 12 12 THR HA H 1 4.229 0.01 . 1 . . . . 12 THR HA . 19332 1 56 . 1 1 12 12 THR C C 13 174.3 0.05 . 1 . . . . 12 THR C . 19332 1 57 . 1 1 12 12 THR CA C 13 62.136 0.1 . 1 . . . . 12 THR CA . 19332 1 58 . 1 1 12 12 THR CB C 13 69.845 0.1 . 1 . . . . 12 THR CB . 19332 1 59 . 1 1 12 12 THR CG2 C 13 21.469 0.1 . 1 . . . . 12 THR CG2 . 19332 1 60 . 1 1 12 12 THR N N 15 113.32 0.05 . 1 . . . . 12 THR N . 19332 1 61 . 1 1 13 13 TYR H H 1 8.186 0.01 . 1 . . . . 13 TYR H . 19332 1 62 . 1 1 13 13 TYR HA H 1 4.530 0.01 . 1 . . . . 13 TYR HA . 19332 1 63 . 1 1 13 13 TYR C C 13 175.409 0.05 . 1 . . . . 13 TYR C . 19332 1 64 . 1 1 13 13 TYR CA C 13 58.013 0.1 . 1 . . . . 13 TYR CA . 19332 1 65 . 1 1 13 13 TYR CB C 13 38.765 0.1 . 1 . . . . 13 TYR CB . 19332 1 66 . 1 1 13 13 TYR N N 15 122.901 0.05 . 1 . . . . 13 TYR N . 19332 1 67 . 1 1 14 14 ARG H H 1 8.059 0.01 . 1 . . . . 14 ARG H . 19332 1 68 . 1 1 14 14 ARG HA H 1 4.215 0.01 . 1 . . . . 14 ARG HA . 19332 1 69 . 1 1 14 14 ARG C C 13 175.387 0.05 . 1 . . . . 14 ARG C . 19332 1 70 . 1 1 14 14 ARG CA C 13 55.737 0.1 . 1 . . . . 14 ARG CA . 19332 1 71 . 1 1 14 14 ARG CB C 13 31.067 0.1 . 1 . . . . 14 ARG CB . 19332 1 72 . 1 1 14 14 ARG CD C 13 43.34 0.1 . 1 . . . . 14 ARG CD . 19332 1 73 . 1 1 14 14 ARG N N 15 123.624 0.05 . 1 . . . . 14 ARG N . 19332 1 74 . 1 1 15 15 LYS H H 1 8.208 0.01 . 1 . . . . 15 LYS H . 19332 1 75 . 1 1 15 15 LYS HA H 1 4.221 0.01 . 1 . . . . 15 LYS HA . 19332 1 76 . 1 1 15 15 LYS C C 13 176.298 0.05 . 1 . . . . 15 LYS C . 19332 1 77 . 1 1 15 15 LYS CA C 13 56.382 0.1 . 1 . . . . 15 LYS CA . 19332 1 78 . 1 1 15 15 LYS CB C 13 33.036 0.1 . 1 . . . . 15 LYS CB . 19332 1 79 . 1 1 15 15 LYS CG C 13 24.813 0.1 . 1 . . . . 15 LYS CG . 19332 1 80 . 1 1 15 15 LYS CD C 13 29.163 0.1 . 1 . . . . 15 LYS CD . 19332 1 81 . 1 1 15 15 LYS CE C 13 42.128 0.1 . 1 . . . . 15 LYS CE . 19332 1 82 . 1 1 15 15 LYS N N 15 123.458 0.05 . 1 . . . . 15 LYS N . 19332 1 83 . 1 1 16 16 VAL H H 1 8.198 0.01 . 1 . . . . 16 VAL H . 19332 1 84 . 1 1 16 16 VAL HA H 1 4.065 0.01 . 1 . . . . 16 VAL HA . 19332 1 85 . 1 1 16 16 VAL C C 13 176.027 0.05 . 1 . . . . 16 VAL C . 19332 1 86 . 1 1 16 16 VAL CA C 13 62.322 0.1 . 1 . . . . 16 VAL CA . 19332 1 87 . 1 1 16 16 VAL CB C 13 32.883 0.1 . 1 . . . . 16 VAL CB . 19332 1 88 . 1 1 16 16 VAL CG1 C 13 20.855 0.1 . 2 . . . . 16 VAL CG1 . 19332 1 89 . 1 1 16 16 VAL N N 15 123.16 0.05 . 1 . . . . 16 VAL N . 19332 1 90 . 1 1 17 17 VAL H H 1 8.258 0.01 . 1 . . . . 17 VAL H . 19332 1 91 . 1 1 17 17 VAL HA H 1 4.057 0.01 . 1 . . . . 17 VAL HA . 19332 1 92 . 1 1 17 17 VAL C C 13 175.671 0.05 . 1 . . . . 17 VAL C . 19332 1 93 . 1 1 17 17 VAL CA C 13 62.112 0.1 . 1 . . . . 17 VAL CA . 19332 1 94 . 1 1 17 17 VAL CB C 13 32.856 0.1 . 1 . . . . 17 VAL CB . 19332 1 95 . 1 1 17 17 VAL CG1 C 13 20.899 0.1 . 2 . . . . 17 VAL CG1 . 19332 1 96 . 1 1 17 17 VAL N N 15 125.32 0.05 . 1 . . . . 17 VAL N . 19332 1 97 . 1 1 18 18 ALA H H 1 8.348 0.01 . 1 . . . . 18 ALA H . 19332 1 98 . 1 1 18 18 ALA HA H 1 4.261 0.01 . 1 . . . . 18 ALA HA . 19332 1 99 . 1 1 18 18 ALA C C 13 177.238 0.05 . 1 . . . . 18 ALA C . 19332 1 100 . 1 1 18 18 ALA CA C 13 52.334 0.1 . 1 . . . . 18 ALA CA . 19332 1 101 . 1 1 18 18 ALA CB C 13 19.301 0.1 . 1 . . . . 18 ALA CB . 19332 1 102 . 1 1 18 18 ALA N N 15 128.551 0.05 . 1 . . . . 18 ALA N . 19332 1 103 . 1 1 19 19 ALA H H 1 8.249 0.01 . 1 . . . . 19 ALA H . 19332 1 104 . 1 1 19 19 ALA HA H 1 4.253 0.01 . 1 . . . . 19 ALA HA . 19332 1 105 . 1 1 19 19 ALA C C 13 177.586 0.05 . 1 . . . . 19 ALA C . 19332 1 106 . 1 1 19 19 ALA CA C 13 52.373 0.1 . 1 . . . . 19 ALA CA . 19332 1 107 . 1 1 19 19 ALA CB C 13 19.349 0.1 . 1 . . . . 19 ALA CB . 19332 1 108 . 1 1 19 19 ALA N N 15 123.909 0.05 . 1 . . . . 19 ALA N . 19332 1 109 . 1 1 20 20 ARG H H 1 8.255 0.01 . 1 . . . . 20 ARG H . 19332 1 110 . 1 1 20 20 ARG HA H 1 4.286 0.01 . 1 . . . . 20 ARG HA . 19332 1 111 . 1 1 20 20 ARG C C 13 175.659 0.05 . 1 . . . . 20 ARG C . 19332 1 112 . 1 1 20 20 ARG CA C 13 55.664 0.1 . 1 . . . . 20 ARG CA . 19332 1 113 . 1 1 20 20 ARG CB C 13 30.999 0.1 . 1 . . . . 20 ARG CB . 19332 1 114 . 1 1 20 20 ARG CG C 13 26.975 0.1 . 1 . . . . 20 ARG CG . 19332 1 115 . 1 1 20 20 ARG CD C 13 43.348 0.1 . 1 . . . . 20 ARG CD . 19332 1 116 . 1 1 20 20 ARG N N 15 120.576 0.05 . 1 . . . . 20 ARG N . 19332 1 117 . 1 1 21 21 ALA H H 1 8.298 0.01 . 1 . . . . 21 ALA H . 19332 1 118 . 1 1 21 21 ALA HA H 1 4.556 0.01 . 1 . . . . 21 ALA HA . 19332 1 119 . 1 1 21 21 ALA C C 13 175.421 0.05 . 1 . . . . 21 ALA C . 19332 1 120 . 1 1 21 21 ALA CA C 13 50.489 0.1 . 1 . . . . 21 ALA CA . 19332 1 121 . 1 1 21 21 ALA CB C 13 18.212 0.1 . 1 . . . . 21 ALA CB . 19332 1 122 . 1 1 21 21 ALA N N 15 126.988 0.05 . 1 . . . . 21 ALA N . 19332 1 123 . 1 1 22 22 PRO HA H 1 4.396 0.01 . 1 . . . . 22 PRO HA . 19332 1 124 . 1 1 22 22 PRO C C 13 176.732 0.05 . 1 . . . . 22 PRO C . 19332 1 125 . 1 1 22 22 PRO CA C 13 62.869 0.1 . 1 . . . . 22 PRO CA . 19332 1 126 . 1 1 22 22 PRO CB C 13 32.117 0.1 . 1 . . . . 22 PRO CB . 19332 1 127 . 1 1 22 22 PRO CG C 13 27.309 0.1 . 1 . . . . 22 PRO CG . 19332 1 128 . 1 1 22 22 PRO CD C 13 50.459 0.1 . 1 . . . . 22 PRO CD . 19332 1 129 . 1 1 23 23 ARG H H 1 8.363 0.01 . 1 . . . . 23 ARG H . 19332 1 130 . 1 1 23 23 ARG HA H 1 4.253 0.01 . 1 . . . . 23 ARG HA . 19332 1 131 . 1 1 23 23 ARG C C 13 176.159 0.05 . 1 . . . . 23 ARG C . 19332 1 132 . 1 1 23 23 ARG CA C 13 56.069 0.1 . 1 . . . . 23 ARG CA . 19332 1 133 . 1 1 23 23 ARG CB C 13 31.017 0.1 . 1 . . . . 23 ARG CB . 19332 1 134 . 1 1 23 23 ARG CG C 13 27.074 0.1 . 1 . . . . 23 ARG CG . 19332 1 135 . 1 1 23 23 ARG CD C 13 43.375 0.1 . 1 . . . . 23 ARG CD . 19332 1 136 . 1 1 23 23 ARG N N 15 121.596 0.05 . 1 . . . . 23 ARG N . 19332 1 137 . 1 1 24 24 LYS H H 1 8.369 0.01 . 1 . . . . 24 LYS H . 19332 1 138 . 1 1 24 24 LYS HA H 1 4.307 0.01 . 1 . . . . 24 LYS HA . 19332 1 139 . 1 1 24 24 LYS C C 13 176.158 0.05 . 1 . . . . 24 LYS C . 19332 1 140 . 1 1 24 24 LYS CA C 13 56.273 0.1 . 1 . . . . 24 LYS CA . 19332 1 141 . 1 1 24 24 LYS CB C 13 33.218 0.1 . 1 . . . . 24 LYS CB . 19332 1 142 . 1 1 24 24 LYS CE C 13 42.116 0.1 . 1 . . . . 24 LYS CE . 19332 1 143 . 1 1 24 24 LYS N N 15 123.771 0.05 . 1 . . . . 24 LYS N . 19332 1 144 . 1 1 25 25 VAL H H 1 8.261 0.01 . 1 . . . . 25 VAL H . 19332 1 145 . 1 1 25 25 VAL HA H 1 4.070 0.01 . 1 . . . . 25 VAL HA . 19332 1 146 . 1 1 25 25 VAL C C 13 176.027 0.05 . 1 . . . . 25 VAL C . 19332 1 147 . 1 1 25 25 VAL CA C 13 62.158 0.1 . 1 . . . . 25 VAL CA . 19332 1 148 . 1 1 25 25 VAL CB C 13 32.885 0.1 . 1 . . . . 25 VAL CB . 19332 1 149 . 1 1 25 25 VAL CG1 C 13 20.621 0.1 . 2 . . . . 25 VAL CG1 . 19332 1 150 . 1 1 25 25 VAL CG2 C 13 21.013 0.1 . 2 . . . . 25 VAL CG2 . 19332 1 151 . 1 1 25 25 VAL N N 15 122.959 0.05 . 1 . . . . 25 VAL N . 19332 1 152 . 1 1 26 26 LEU H H 1 8.417 0.01 . 1 . . . . 26 LEU H . 19332 1 153 . 1 1 26 26 LEU HA H 1 4.357 0.01 . 1 . . . . 26 LEU HA . 19332 1 154 . 1 1 26 26 LEU C C 13 177.751 0.05 . 1 . . . . 26 LEU C . 19332 1 155 . 1 1 26 26 LEU CA C 13 55.194 0.1 . 1 . . . . 26 LEU CA . 19332 1 156 . 1 1 26 26 LEU CB C 13 42.456 0.1 . 1 . . . . 26 LEU CB . 19332 1 157 . 1 1 26 26 LEU CG C 13 27.004 0.1 . 1 . . . . 26 LEU CG . 19332 1 158 . 1 1 26 26 LEU CD1 C 13 24.802 0.1 . 2 . . . . 26 LEU CD1 . 19332 1 159 . 1 1 26 26 LEU CD2 C 13 23.432 0.1 . 2 . . . . 26 LEU CD2 . 19332 1 160 . 1 1 26 26 LEU N N 15 127.02 0.05 . 1 . . . . 26 LEU N . 19332 1 161 . 1 1 27 27 GLY H H 1 8.413 0.01 . 1 . . . . 27 GLY H . 19332 1 162 . 1 1 27 27 GLY HA2 H 1 3.987 0.01 . 2 . . . . 27 GLY HA2 . 19332 1 163 . 1 1 27 27 GLY C C 13 174.055 0.05 . 1 . . . . 27 GLY C . 19332 1 164 . 1 1 27 27 GLY CA C 13 45.257 0.1 . 1 . . . . 27 GLY CA . 19332 1 165 . 1 1 27 27 GLY N N 15 110.105 0.05 . 1 . . . . 27 GLY N . 19332 1 166 . 1 1 28 28 SER H H 1 8.217 0.01 . 1 . . . . 28 SER H . 19332 1 167 . 1 1 28 28 SER HA H 1 4.497 0.01 . 1 . . . . 28 SER HA . 19332 1 168 . 1 1 28 28 SER C C 13 174.857 0.05 . 1 . . . . 28 SER C . 19332 1 169 . 1 1 28 28 SER CA C 13 58.168 0.1 . 1 . . . . 28 SER CA . 19332 1 170 . 1 1 28 28 SER CB C 13 64.032 0.1 . 1 . . . . 28 SER CB . 19332 1 171 . 1 1 28 28 SER N N 15 115.385 0.05 . 1 . . . . 28 SER N . 19332 1 172 . 1 1 29 29 SER H H 1 8.477 0.01 . 1 . . . . 29 SER H . 19332 1 173 . 1 1 29 29 SER HA H 1 4.542 0.01 . 1 . . . . 29 SER HA . 19332 1 174 . 1 1 29 29 SER C C 13 174.929 0.05 . 1 . . . . 29 SER C . 19332 1 175 . 1 1 29 29 SER CA C 13 58.492 0.1 . 1 . . . . 29 SER CA . 19332 1 176 . 1 1 29 29 SER CB C 13 63.815 0.1 . 1 . . . . 29 SER CB . 19332 1 177 . 1 1 29 29 SER N N 15 117.946 0.05 . 1 . . . . 29 SER N . 19332 1 178 . 1 1 30 30 THR H H 1 8.218 0.01 . 1 . . . . 30 THR H . 19332 1 179 . 1 1 30 30 THR HA H 1 4.393 0.01 . 1 . . . . 30 THR HA . 19332 1 180 . 1 1 30 30 THR C C 13 174.681 0.05 . 1 . . . . 30 THR C . 19332 1 181 . 1 1 30 30 THR CA C 13 61.956 0.1 . 1 . . . . 30 THR CA . 19332 1 182 . 1 1 30 30 THR CB C 13 69.67 0.1 . 1 . . . . 30 THR CB . 19332 1 183 . 1 1 30 30 THR CG2 C 13 21.519 0.1 . 1 . . . . 30 THR CG2 . 19332 1 184 . 1 1 30 30 THR N N 15 115.55 0.05 . 1 . . . . 30 THR N . 19332 1 185 . 1 1 31 31 SER H H 1 8.272 0.01 . 1 . . . . 31 SER H . 19332 1 186 . 1 1 31 31 SER HA H 1 4.445 0.01 . 1 . . . . 31 SER HA . 19332 1 187 . 1 1 31 31 SER C C 13 174.366 0.05 . 1 . . . . 31 SER C . 19332 1 188 . 1 1 31 31 SER CA C 13 58.41 0.1 . 1 . . . . 31 SER CA . 19332 1 189 . 1 1 31 31 SER CB C 13 63.857 0.1 . 1 . . . . 31 SER CB . 19332 1 190 . 1 1 31 31 SER N N 15 118.044 0.05 . 1 . . . . 31 SER N . 19332 1 191 . 1 1 32 32 ALA H H 1 8.368 0.01 . 1 . . . . 32 ALA H . 19332 1 192 . 1 1 32 32 ALA HA H 1 4.379 0.01 . 1 . . . . 32 ALA HA . 19332 1 193 . 1 1 32 32 ALA C C 13 178.044 0.05 . 1 . . . . 32 ALA C . 19332 1 194 . 1 1 32 32 ALA CA C 13 52.781 0.1 . 1 . . . . 32 ALA CA . 19332 1 195 . 1 1 32 32 ALA CB C 13 19.3 0.1 . 1 . . . . 32 ALA CB . 19332 1 196 . 1 1 32 32 ALA N N 15 126.208 0.05 . 1 . . . . 32 ALA N . 19332 1 197 . 1 1 33 33 THR H H 1 8.111 0.01 . 1 . . . . 33 THR H . 19332 1 198 . 1 1 33 33 THR HA H 1 4.297 0.01 . 1 . . . . 33 THR HA . 19332 1 199 . 1 1 33 33 THR C C 13 174.448 0.05 . 1 . . . . 33 THR C . 19332 1 200 . 1 1 33 33 THR CA C 13 61.944 0.1 . 1 . . . . 33 THR CA . 19332 1 201 . 1 1 33 33 THR CB C 13 69.739 0.1 . 1 . . . . 33 THR CB . 19332 1 202 . 1 1 33 33 THR CG2 C 13 21.508 0.1 . 1 . . . . 33 THR CG2 . 19332 1 203 . 1 1 33 33 THR N N 15 112.861 0.05 . 1 . . . . 33 THR N . 19332 1 204 . 1 1 34 34 ASN H H 1 8.380 0.01 . 1 . . . . 34 ASN H . 19332 1 205 . 1 1 34 34 ASN HA H 1 4.751 0.01 . 1 . . . . 34 ASN HA . 19332 1 206 . 1 1 34 34 ASN HD21 H 1 6.893 0.01 . 2 . . . . 34 ASN HD21 . 19332 1 207 . 1 1 34 34 ASN HD22 H 1 7.584 0.01 . 2 . . . . 34 ASN HD22 . 19332 1 208 . 1 1 34 34 ASN C C 13 175.347 0.05 . 1 . . . . 34 ASN C . 19332 1 209 . 1 1 34 34 ASN CA C 13 53.319 0.1 . 1 . . . . 34 ASN CA . 19332 1 210 . 1 1 34 34 ASN CB C 13 38.963 0.1 . 1 . . . . 34 ASN CB . 19332 1 211 . 1 1 34 34 ASN CG C 13 177.087 0.1 . 1 . . . . 34 ASN CG . 19332 1 212 . 1 1 34 34 ASN N N 15 120.986 0.05 . 1 . . . . 34 ASN N . 19332 1 213 . 1 1 34 34 ASN ND2 N 15 112.846 0.05 . 1 . . . . 34 ASN ND2 . 19332 1 214 . 1 1 35 35 SER H H 1 8.319 0.01 . 1 . . . . 35 SER H . 19332 1 215 . 1 1 35 35 SER HA H 1 4.513 0.01 . 1 . . . . 35 SER HA . 19332 1 216 . 1 1 35 35 SER C C 13 174.934 0.05 . 1 . . . . 35 SER C . 19332 1 217 . 1 1 35 35 SER CA C 13 58.576 0.1 . 1 . . . . 35 SER CA . 19332 1 218 . 1 1 35 35 SER CB C 13 63.778 0.1 . 1 . . . . 35 SER CB . 19332 1 219 . 1 1 35 35 SER N N 15 116.327 0.05 . 1 . . . . 35 SER N . 19332 1 220 . 1 1 36 36 THR H H 1 8.218 0.01 . 1 . . . . 36 THR H . 19332 1 221 . 1 1 36 36 THR HA H 1 4.385 0.01 . 1 . . . . 36 THR HA . 19332 1 222 . 1 1 36 36 THR C C 13 174.725 0.05 . 1 . . . . 36 THR C . 19332 1 223 . 1 1 36 36 THR CA C 13 61.972 0.1 . 1 . . . . 36 THR CA . 19332 1 224 . 1 1 36 36 THR CB C 13 69.708 0.1 . 1 . . . . 36 THR CB . 19332 1 225 . 1 1 36 36 THR CG2 C 13 21.519 0.1 . 1 . . . . 36 THR CG2 . 19332 1 226 . 1 1 36 36 THR N N 15 115.55 0.05 . 1 . . . . 36 THR N . 19332 1 227 . 1 1 37 37 SER H H 1 8.287 0.01 . 1 . . . . 37 SER H . 19332 1 228 . 1 1 37 37 SER HA H 1 4.482 0.01 . 1 . . . . 37 SER HA . 19332 1 229 . 1 1 37 37 SER C C 13 174.748 0.05 . 1 . . . . 37 SER C . 19332 1 230 . 1 1 37 37 SER CA C 13 58.437 0.1 . 1 . . . . 37 SER CA . 19332 1 231 . 1 1 37 37 SER CB C 13 63.812 0.1 . 1 . . . . 37 SER CB . 19332 1 232 . 1 1 37 37 SER N N 15 118.24 0.05 . 1 . . . . 37 SER N . 19332 1 233 . 1 1 38 38 VAL H H 1 8.165 0.01 . 1 . . . . 38 VAL H . 19332 1 234 . 1 1 38 38 VAL HA H 1 4.126 0.01 . 1 . . . . 38 VAL HA . 19332 1 235 . 1 1 38 38 VAL C C 13 176.51 0.05 . 1 . . . . 38 VAL C . 19332 1 236 . 1 1 38 38 VAL CA C 13 62.663 0.1 . 1 . . . . 38 VAL CA . 19332 1 237 . 1 1 38 38 VAL CB C 13 32.67 0.1 . 1 . . . . 38 VAL CB . 19332 1 238 . 1 1 38 38 VAL CG1 C 13 20.457 0.1 . 2 . . . . 38 VAL CG1 . 19332 1 239 . 1 1 38 38 VAL CG2 C 13 21.007 0.1 . 2 . . . . 38 VAL CG2 . 19332 1 240 . 1 1 38 38 VAL N N 15 121.713 0.05 . 1 . . . . 38 VAL N . 19332 1 241 . 1 1 39 39 SER H H 1 8.342 0.01 . 1 . . . . 39 SER H . 19332 1 242 . 1 1 39 39 SER HA H 1 4.437 0.01 . 1 . . . . 39 SER HA . 19332 1 243 . 1 1 39 39 SER C C 13 174.83 0.05 . 1 . . . . 39 SER C . 19332 1 244 . 1 1 39 39 SER CA C 13 58.594 0.1 . 1 . . . . 39 SER CA . 19332 1 245 . 1 1 39 39 SER CB C 13 63.736 0.1 . 1 . . . . 39 SER CB . 19332 1 246 . 1 1 39 39 SER N N 15 118.775 0.05 . 1 . . . . 39 SER N . 19332 1 247 . 1 1 40 40 SER H H 1 8.268 0.01 . 1 . . . . 40 SER H . 19332 1 248 . 1 1 40 40 SER HA H 1 4.430 0.01 . 1 . . . . 40 SER HA . 19332 1 249 . 1 1 40 40 SER C C 13 174.531 0.05 . 1 . . . . 40 SER C . 19332 1 250 . 1 1 40 40 SER CA C 13 58.577 0.1 . 1 . . . . 40 SER CA . 19332 1 251 . 1 1 40 40 SER CB C 13 63.732 0.1 . 1 . . . . 40 SER CB . 19332 1 252 . 1 1 40 40 SER N N 15 118.01 0.05 . 1 . . . . 40 SER N . 19332 1 253 . 1 1 41 41 ARG H H 1 8.220 0.01 . 1 . . . . 41 ARG H . 19332 1 254 . 1 1 41 41 ARG HA H 1 4.288 0.01 . 1 . . . . 41 ARG HA . 19332 1 255 . 1 1 41 41 ARG C C 13 176.293 0.05 . 1 . . . . 41 ARG C . 19332 1 256 . 1 1 41 41 ARG CA C 13 56.29 0.1 . 1 . . . . 41 ARG CA . 19332 1 257 . 1 1 41 41 ARG CB C 13 30.736 0.1 . 1 . . . . 41 ARG CB . 19332 1 258 . 1 1 41 41 ARG CD C 13 43.342 0.1 . 1 . . . . 41 ARG CD . 19332 1 259 . 1 1 41 41 ARG N N 15 122.857 0.05 . 1 . . . . 41 ARG N . 19332 1 260 . 1 1 42 42 LYS H H 1 8.274 0.01 . 1 . . . . 42 LYS H . 19332 1 261 . 1 1 42 42 LYS HA H 1 4.246 0.01 . 1 . . . . 42 LYS HA . 19332 1 262 . 1 1 42 42 LYS C C 13 176.343 0.05 . 1 . . . . 42 LYS C . 19332 1 263 . 1 1 42 42 LYS CA C 13 56.408 0.1 . 1 . . . . 42 LYS CA . 19332 1 264 . 1 1 42 42 LYS CB C 13 33.125 0.1 . 1 . . . . 42 LYS CB . 19332 1 265 . 1 1 42 42 LYS N N 15 122.897 0.05 . 1 . . . . 42 LYS N . 19332 1 266 . 1 1 43 43 ALA H H 1 8.325 0.01 . 1 . . . . 43 ALA H . 19332 1 267 . 1 1 43 43 ALA HA H 1 4.264 0.01 . 1 . . . . 43 ALA HA . 19332 1 268 . 1 1 43 43 ALA C C 13 177.649 0.05 . 1 . . . . 43 ALA C . 19332 1 269 . 1 1 43 43 ALA CA C 13 52.517 0.1 . 1 . . . . 43 ALA CA . 19332 1 270 . 1 1 43 43 ALA CB C 13 19.232 0.1 . 1 . . . . 43 ALA CB . 19332 1 271 . 1 1 43 43 ALA N N 15 125.462 0.05 . 1 . . . . 43 ALA N . 19332 1 272 . 1 1 44 44 GLU H H 1 8.374 0.01 . 1 . . . . 44 GLU H . 19332 1 273 . 1 1 44 44 GLU HA H 1 4.226 0.01 . 1 . . . . 44 GLU HA . 19332 1 274 . 1 1 44 44 GLU C C 13 176.239 0.05 . 1 . . . . 44 GLU C . 19332 1 275 . 1 1 44 44 GLU CA C 13 56.513 0.1 . 1 . . . . 44 GLU CA . 19332 1 276 . 1 1 44 44 GLU CB C 13 30.464 0.1 . 1 . . . . 44 GLU CB . 19332 1 277 . 1 1 44 44 GLU CG C 13 36.150 0.1 . 1 . . . . 44 GLU CG . 19332 1 278 . 1 1 44 44 GLU N N 15 120.291 0.05 . 1 . . . . 44 GLU N . 19332 1 279 . 1 1 45 45 ASN H H 1 8.419 0.01 . 1 . . . . 45 ASN H . 19332 1 280 . 1 1 45 45 ASN HA H 1 4.645 0.01 . 1 . . . . 45 ASN HA . 19332 1 281 . 1 1 45 45 ASN HD21 H 1 6.905 0.01 . 2 . . . . 45 ASN HD21 . 19332 1 282 . 1 1 45 45 ASN HD22 H 1 7.572 0.01 . 2 . . . . 45 ASN HD22 . 19332 1 283 . 1 1 45 45 ASN C C 13 175.223 0.05 . 1 . . . . 45 ASN C . 19332 1 284 . 1 1 45 45 ASN CA C 13 53.197 0.1 . 1 . . . . 45 ASN CA . 19332 1 285 . 1 1 45 45 ASN CB C 13 38.869 0.1 . 1 . . . . 45 ASN CB . 19332 1 286 . 1 1 45 45 ASN CG C 13 176.97 0.1 . 1 . . . . 45 ASN CG . 19332 1 287 . 1 1 45 45 ASN N N 15 120.096 0.05 . 1 . . . . 45 ASN N . 19332 1 288 . 1 1 45 45 ASN ND2 N 15 112.495 0.05 . 1 . . . . 45 ASN ND2 . 19332 1 289 . 1 1 46 46 LYS H H 1 8.259 0.01 . 1 . . . . 46 LYS H . 19332 1 290 . 1 1 46 46 LYS HA H 1 4.184 0.01 . 1 . . . . 46 LYS HA . 19332 1 291 . 1 1 46 46 LYS C C 13 176.216 0.05 . 1 . . . . 46 LYS C . 19332 1 292 . 1 1 46 46 LYS CA C 13 56.64 0.1 . 1 . . . . 46 LYS CA . 19332 1 293 . 1 1 46 46 LYS CB C 13 32.893 0.1 . 1 . . . . 46 LYS CB . 19332 1 294 . 1 1 46 46 LYS CG C 13 24.47 0.1 . 1 . . . . 46 LYS CG . 19332 1 295 . 1 1 46 46 LYS CD C 13 29.0241 0.1 . 1 . . . . 46 LYS CD . 19332 1 296 . 1 1 46 46 LYS CE C 13 42.07 0.1 . 1 . . . . 46 LYS CE . 19332 1 297 . 1 1 46 46 LYS N N 15 121.966 0.05 . 1 . . . . 46 LYS N . 19332 1 298 . 1 1 47 47 TYR H H 1 8.182 0.01 . 1 . . . . 47 TYR H . 19332 1 299 . 1 1 47 47 TYR HA H 1 4.558 0.01 . 1 . . . . 47 TYR HA . 19332 1 300 . 1 1 47 47 TYR C C 13 175.751 0.05 . 1 . . . . 47 TYR C . 19332 1 301 . 1 1 47 47 TYR CA C 13 57.682 0.1 . 1 . . . . 47 TYR CA . 19332 1 302 . 1 1 47 47 TYR CB C 13 38.595 0.1 . 1 . . . . 47 TYR CB . 19332 1 303 . 1 1 47 47 TYR N N 15 120.704 0.05 . 1 . . . . 47 TYR N . 19332 1 304 . 1 1 48 48 ALA H H 1 8.183 0.01 . 1 . . . . 48 ALA H . 19332 1 305 . 1 1 48 48 ALA HA H 1 4.285 0.01 . 1 . . . . 48 ALA HA . 19332 1 306 . 1 1 48 48 ALA C C 13 177.894 0.05 . 1 . . . . 48 ALA C . 19332 1 307 . 1 1 48 48 ALA CA C 13 52.592 0.1 . 1 . . . . 48 ALA CA . 19332 1 308 . 1 1 48 48 ALA CB C 13 19.266 0.1 . 1 . . . . 48 ALA CB . 19332 1 309 . 1 1 48 48 ALA N N 15 126.428 0.05 . 1 . . . . 48 ALA N . 19332 1 310 . 1 1 49 49 GLY H H 1 7.850 0.01 . 1 . . . . 49 GLY H . 19332 1 311 . 1 1 49 49 GLY HA2 H 1 3.921 0.01 . 2 . . . . 49 GLY HA2 . 19332 1 312 . 1 1 49 49 GLY C C 13 174.475 0.05 . 1 . . . . 49 GLY C . 19332 1 313 . 1 1 49 49 GLY CA C 13 45.349 0.1 . 1 . . . . 49 GLY CA . 19332 1 314 . 1 1 49 49 GLY N N 15 107.662 0.05 . 1 . . . . 49 GLY N . 19332 1 315 . 1 1 50 50 GLY H H 1 8.155 0.01 . 1 . . . . 50 GLY H . 19332 1 316 . 1 1 50 50 GLY HA2 H 1 3.954 0.01 . 2 . . . . 50 GLY HA2 . 19332 1 317 . 1 1 50 50 GLY C C 13 173.526 0.05 . 1 . . . . 50 GLY C . 19332 1 318 . 1 1 50 50 GLY CA C 13 44.956 0.1 . 1 . . . . 50 GLY CA . 19332 1 319 . 1 1 50 50 GLY N N 15 108.094 0.05 . 1 . . . . 50 GLY N . 19332 1 320 . 1 1 51 51 ASN H H 1 8.297 0.01 . 1 . . . . 51 ASN H . 19332 1 321 . 1 1 51 51 ASN HA H 1 4.948 0.01 . 1 . . . . 51 ASN HA . 19332 1 322 . 1 1 51 51 ASN HD21 H 1 6.906 0.01 . 2 . . . . 51 ASN HD21 . 19332 1 323 . 1 1 51 51 ASN HD22 H 1 7.578 0.01 . 2 . . . . 51 ASN HD22 . 19332 1 324 . 1 1 51 51 ASN C C 13 173.322 0.05 . 1 . . . . 51 ASN C . 19332 1 325 . 1 1 51 51 ASN CA C 13 51.376 0.1 . 1 . . . . 51 ASN CA . 19332 1 326 . 1 1 51 51 ASN CB C 13 38.893 0.1 . 1 . . . . 51 ASN CB . 19332 1 327 . 1 1 51 51 ASN CG C 13 176.98 0.1 . 1 . . . . 51 ASN CG . 19332 1 328 . 1 1 51 51 ASN N N 15 119.583 0.05 . 1 . . . . 51 ASN N . 19332 1 329 . 1 1 51 51 ASN ND2 N 15 112.975 0.05 . 1 . . . . 51 ASN ND2 . 19332 1 330 . 1 1 52 52 PRO HA H 1 4.383 0.01 . 1 . . . . 52 PRO HA . 19332 1 331 . 1 1 52 52 PRO C C 13 176.833 0.05 . 1 . . . . 52 PRO C . 19332 1 332 . 1 1 52 52 PRO CA C 13 63.278 0.1 . 1 . . . . 52 PRO CA . 19332 1 333 . 1 1 52 52 PRO CB C 13 32.082 0.1 . 1 . . . . 52 PRO CB . 19332 1 334 . 1 1 52 52 PRO CG C 13 27.196 0.1 . 1 . . . . 52 PRO CG . 19332 1 335 . 1 1 52 52 PRO CD C 13 50.62 0.1 . 1 . . . . 52 PRO CD . 19332 1 336 . 1 1 53 53 VAL H H 1 8.138 0.01 . 1 . . . . 53 VAL H . 19332 1 337 . 1 1 53 53 VAL HA H 1 4.037 0.01 . 1 . . . . 53 VAL HA . 19332 1 338 . 1 1 53 53 VAL C C 13 176.008 0.05 . 1 . . . . 53 VAL C . 19332 1 339 . 1 1 53 53 VAL CA C 13 62.458 0.1 . 1 . . . . 53 VAL CA . 19332 1 340 . 1 1 53 53 VAL CB C 13 32.574 0.1 . 1 . . . . 53 VAL CB . 19332 1 341 . 1 1 53 53 VAL CG1 C 13 20.876 0.1 . 2 . . . . 53 VAL CG1 . 19332 1 342 . 1 1 53 53 VAL N N 15 120.017 0.05 . 1 . . . . 53 VAL N . 19332 1 343 . 1 1 54 54 CYS H H 1 8.327 0.01 . 1 . . . . 54 CYS H . 19332 1 344 . 1 1 54 54 CYS HA H 1 4.499 0.01 . 1 . . . . 54 CYS HA . 19332 1 345 . 1 1 54 54 CYS C C 13 174.285 0.05 . 1 . . . . 54 CYS C . 19332 1 346 . 1 1 54 54 CYS CA C 13 58.256 0.1 . 1 . . . . 54 CYS CA . 19332 1 347 . 1 1 54 54 CYS CB C 13 28.07 0.1 . 1 . . . . 54 CYS CB . 19332 1 348 . 1 1 54 54 CYS N N 15 123.342 0.05 . 1 . . . . 54 CYS N . 19332 1 349 . 1 1 55 55 VAL H H 1 8.259 0.01 . 1 . . . . 55 VAL H . 19332 1 350 . 1 1 55 55 VAL HA H 1 4.087 0.01 . 1 . . . . 55 VAL HA . 19332 1 351 . 1 1 55 55 VAL C C 13 175.691 0.05 . 1 . . . . 55 VAL C . 19332 1 352 . 1 1 55 55 VAL CA C 13 62.259 0.1 . 1 . . . . 55 VAL CA . 19332 1 353 . 1 1 55 55 VAL CB C 13 32.717 0.1 . 1 . . . . 55 VAL CB . 19332 1 354 . 1 1 55 55 VAL CG1 C 13 20.614 0.1 . 2 . . . . 55 VAL CG1 . 19332 1 355 . 1 1 55 55 VAL CG2 C 13 20.973 0.1 . 2 . . . . 55 VAL CG2 . 19332 1 356 . 1 1 55 55 VAL N N 15 123.627 0.05 . 1 . . . . 55 VAL N . 19332 1 357 . 1 1 56 56 ARG H H 1 8.360 0.01 . 1 . . . . 56 ARG H . 19332 1 358 . 1 1 56 56 ARG HA H 1 4.607 0.01 . 1 . . . . 56 ARG HA . 19332 1 359 . 1 1 56 56 ARG C C 13 173.942 0.05 . 1 . . . . 56 ARG C . 19332 1 360 . 1 1 56 56 ARG CA C 13 53.766 0.1 . 1 . . . . 56 ARG CA . 19332 1 361 . 1 1 56 56 ARG CB C 13 30.395 0.1 . 1 . . . . 56 ARG CB . 19332 1 362 . 1 1 56 56 ARG N N 15 126.244 0.05 . 1 . . . . 56 ARG N . 19332 1 363 . 1 1 57 57 PRO HA H 1 4.421 0.01 . 1 . . . . 57 PRO HA . 19332 1 364 . 1 1 57 57 PRO C C 13 176.681 0.05 . 1 . . . . 57 PRO C . 19332 1 365 . 1 1 57 57 PRO CA C 13 62.883 0.1 . 1 . . . . 57 PRO CA . 19332 1 366 . 1 1 57 57 PRO CB C 13 32.122 0.1 . 1 . . . . 57 PRO CB . 19332 1 367 . 1 1 57 57 PRO CG C 13 27.264 0.1 . 1 . . . . 57 PRO CG . 19332 1 368 . 1 1 57 57 PRO CD C 13 50.656 0.1 . 1 . . . . 57 PRO CD . 19332 1 369 . 1 1 58 58 THR H H 1 8.282 0.01 . 1 . . . . 58 THR H . 19332 1 370 . 1 1 58 58 THR HA H 1 4.492 0.01 . 1 . . . . 58 THR HA . 19332 1 371 . 1 1 58 58 THR C C 13 172.914 0.05 . 1 . . . . 58 THR C . 19332 1 372 . 1 1 58 58 THR CA C 13 59.939 0.1 . 1 . . . . 58 THR CA . 19332 1 373 . 1 1 58 58 THR CB C 13 69.78 0.1 . 1 . . . . 58 THR CB . 19332 1 374 . 1 1 58 58 THR N N 15 117.748 0.05 . 1 . . . . 58 THR N . 19332 1 375 . 1 1 59 59 PRO HA H 1 4.290 0.01 . 1 . . . . 59 PRO HA . 19332 1 376 . 1 1 59 59 PRO C C 13 176.885 0.05 . 1 . . . . 59 PRO C . 19332 1 377 . 1 1 59 59 PRO CA C 13 63.093 0.1 . 1 . . . . 59 PRO CA . 19332 1 378 . 1 1 59 59 PRO CB C 13 32.052 0.1 . 1 . . . . 59 PRO CB . 19332 1 379 . 1 1 59 59 PRO CG C 13 27.39 0.1 . 1 . . . . 59 PRO CG . 19332 1 380 . 1 1 59 59 PRO CD C 13 51.033 0.1 . 1 . . . . 59 PRO CD . 19332 1 381 . 1 1 60 60 LYS H H 1 8.326 0.01 . 1 . . . . 60 LYS H . 19332 1 382 . 1 1 60 60 LYS HA H 1 4.137 0.01 . 1 . . . . 60 LYS HA . 19332 1 383 . 1 1 60 60 LYS C C 13 176.402 0.05 . 1 . . . . 60 LYS C . 19332 1 384 . 1 1 60 60 LYS CA C 13 56.776 0.1 . 1 . . . . 60 LYS CA . 19332 1 385 . 1 1 60 60 LYS CB C 13 32.839 0.1 . 1 . . . . 60 LYS CB . 19332 1 386 . 1 1 60 60 LYS CG C 13 24.707 0.1 . 1 . . . . 60 LYS CG . 19332 1 387 . 1 1 60 60 LYS CD C 13 29.053 0.1 . 1 . . . . 60 LYS CD . 19332 1 388 . 1 1 60 60 LYS CE C 13 42.094 0.1 . 1 . . . . 60 LYS CE . 19332 1 389 . 1 1 60 60 LYS N N 15 121.431 0.05 . 1 . . . . 60 LYS N . 19332 1 390 . 1 1 61 61 TRP H H 1 7.892 0.01 . 1 . . . . 61 TRP H . 19332 1 391 . 1 1 61 61 TRP HA H 1 4.601 0.01 . 1 . . . . 61 TRP HA . 19332 1 392 . 1 1 61 61 TRP C C 13 176.022 0.05 . 1 . . . . 61 TRP C . 19332 1 393 . 1 1 61 61 TRP CA C 13 57.139 0.1 . 1 . . . . 61 TRP CA . 19332 1 394 . 1 1 61 61 TRP CB C 13 29.434 0.1 . 1 . . . . 61 TRP CB . 19332 1 395 . 1 1 61 61 TRP N N 15 120.459 0.05 . 1 . . . . 61 TRP N . 19332 1 396 . 1 1 62 62 GLN H H 1 7.919 0.01 . 1 . . . . 62 GLN H . 19332 1 397 . 1 1 62 62 GLN HA H 1 4.177 0.01 . 1 . . . . 62 GLN HA . 19332 1 398 . 1 1 62 62 GLN HE21 H 1 6.787 0.01 . 2 . . . . 62 GLN HE21 . 19332 1 399 . 1 1 62 62 GLN HE22 H 1 7.358 0.01 . 2 . . . . 62 GLN HE22 . 19332 1 400 . 1 1 62 62 GLN C C 13 175.173 0.05 . 1 . . . . 62 GLN C . 19332 1 401 . 1 1 62 62 GLN CA C 13 55.631 0.1 . 1 . . . . 62 GLN CA . 19332 1 402 . 1 1 62 62 GLN CB C 13 29.893 0.1 . 1 . . . . 62 GLN CB . 19332 1 403 . 1 1 62 62 GLN CG C 13 33.592 0.1 . 1 . . . . 62 GLN CG . 19332 1 404 . 1 1 62 62 GLN CD C 13 180.271 0.1 . 1 . . . . 62 GLN CD . 19332 1 405 . 1 1 62 62 GLN N N 15 122.315 0.05 . 1 . . . . 62 GLN N . 19332 1 406 . 1 1 62 62 GLN NE2 N 15 111.817 0.05 . 1 . . . . 62 GLN NE2 . 19332 1 407 . 1 1 63 63 LYS H H 1 8.084 0.01 . 1 . . . . 63 LYS H . 19332 1 408 . 1 1 63 63 LYS HA H 1 4.080 0.01 . 1 . . . . 63 LYS HA . 19332 1 409 . 1 1 63 63 LYS C C 13 176.913 0.05 . 1 . . . . 63 LYS C . 19332 1 410 . 1 1 63 63 LYS CA C 13 56.739 0.1 . 1 . . . . 63 LYS CA . 19332 1 411 . 1 1 63 63 LYS CB C 13 32.95 0.1 . 1 . . . . 63 LYS CB . 19332 1 412 . 1 1 63 63 LYS CG C 13 24.683 0.1 . 1 . . . . 63 LYS CG . 19332 1 413 . 1 1 63 63 LYS CD C 13 29.139 0.1 . 1 . . . . 63 LYS CD . 19332 1 414 . 1 1 63 63 LYS CE C 13 42.111 0.1 . 1 . . . . 63 LYS CE . 19332 1 415 . 1 1 63 63 LYS N N 15 122.339 0.05 . 1 . . . . 63 LYS N . 19332 1 416 . 1 1 64 64 GLY H H 1 8.356 0.01 . 1 . . . . 64 GLY H . 19332 1 417 . 1 1 64 64 GLY HA2 H 1 3.914 0.01 . 2 . . . . 64 GLY HA2 . 19332 1 418 . 1 1 64 64 GLY C C 13 174.058 0.05 . 1 . . . . 64 GLY C . 19332 1 419 . 1 1 64 64 GLY CA C 13 45.272 0.1 . 1 . . . . 64 GLY CA . 19332 1 420 . 1 1 64 64 GLY N N 15 110.35 0.05 . 1 . . . . 64 GLY N . 19332 1 421 . 1 1 65 65 ILE H H 1 7.958 0.01 . 1 . . . . 65 ILE H . 19332 1 422 . 1 1 65 65 ILE HA H 1 4.158 0.01 . 1 . . . . 65 ILE HA . 19332 1 423 . 1 1 65 65 ILE C C 13 176.727 0.05 . 1 . . . . 65 ILE C . 19332 1 424 . 1 1 65 65 ILE CA C 13 61.35 0.1 . 1 . . . . 65 ILE CA . 19332 1 425 . 1 1 65 65 ILE CB C 13 38.781 0.1 . 1 . . . . 65 ILE CB . 19332 1 426 . 1 1 65 65 ILE CG1 C 13 27.162 0.1 . 1 . . . . 65 ILE CG1 . 19332 1 427 . 1 1 65 65 ILE CG2 C 13 17.493 0.1 . 1 . . . . 65 ILE CG2 . 19332 1 428 . 1 1 65 65 ILE CD1 C 13 13.044 0.1 . 1 . . . . 65 ILE CD1 . 19332 1 429 . 1 1 65 65 ILE N N 15 119.687 0.05 . 1 . . . . 65 ILE N . 19332 1 430 . 1 1 66 66 GLY H H 1 8.400 0.01 . 1 . . . . 66 GLY H . 19332 1 431 . 1 1 66 66 GLY HA2 H 1 3.857 0.01 . 2 . . . . 66 GLY HA2 . 19332 1 432 . 1 1 66 66 GLY HA3 H 1 3.934 0.01 . 2 . . . . 66 GLY HA3 . 19332 1 433 . 1 1 66 66 GLY C C 13 174.127 0.05 . 1 . . . . 66 GLY C . 19332 1 434 . 1 1 66 66 GLY CA C 13 45.338 0.1 . 1 . . . . 66 GLY CA . 19332 1 435 . 1 1 66 66 GLY N N 15 112.217 0.05 . 1 . . . . 66 GLY N . 19332 1 436 . 1 1 67 67 GLU H H 1 8.124 0.01 . 1 . . . . 67 GLU H . 19332 1 437 . 1 1 67 67 GLU HA H 1 4.145 0.01 . 1 . . . . 67 GLU HA . 19332 1 438 . 1 1 67 67 GLU C C 13 176.232 0.05 . 1 . . . . 67 GLU C . 19332 1 439 . 1 1 67 67 GLU CA C 13 56.684 0.1 . 1 . . . . 67 GLU CA . 19332 1 440 . 1 1 67 67 GLU CB C 13 30.276 0.1 . 1 . . . . 67 GLU CB . 19332 1 441 . 1 1 67 67 GLU CG C 13 36.006 0.1 . 1 . . . . 67 GLU CG . 19332 1 442 . 1 1 67 67 GLU N N 15 120.48 0.05 . 1 . . . . 67 GLU N . 19332 1 443 . 1 1 68 68 PHE H H 1 8.132 0.01 . 1 . . . . 68 PHE H . 19332 1 444 . 1 1 68 68 PHE HA H 1 4.486 0.01 . 1 . . . . 68 PHE HA . 19332 1 445 . 1 1 68 68 PHE C C 13 175.356 0.05 . 1 . . . . 68 PHE C . 19332 1 446 . 1 1 68 68 PHE CA C 13 57.901 0.1 . 1 . . . . 68 PHE CA . 19332 1 447 . 1 1 68 68 PHE CB C 13 39.516 0.1 . 1 . . . . 68 PHE CB . 19332 1 448 . 1 1 68 68 PHE N N 15 120.218 0.05 . 1 . . . . 68 PHE N . 19332 1 449 . 1 1 69 69 PHE H H 1 7.977 0.01 . 1 . . . . 69 PHE H . 19332 1 450 . 1 1 69 69 PHE HA H 1 4.499 0.01 . 1 . . . . 69 PHE HA . 19332 1 451 . 1 1 69 69 PHE C C 13 175.044 0.05 . 1 . . . . 69 PHE C . 19332 1 452 . 1 1 69 69 PHE CA C 13 57.784 0.1 . 1 . . . . 69 PHE CA . 19332 1 453 . 1 1 69 69 PHE CB C 13 39.634 0.1 . 1 . . . . 69 PHE CB . 19332 1 454 . 1 1 69 69 PHE N N 15 120.968 0.05 . 1 . . . . 69 PHE N . 19332 1 455 . 1 1 70 70 ARG H H 1 8.000 0.01 . 1 . . . . 70 ARG H . 19332 1 456 . 1 1 70 70 ARG HA H 1 4.218 0.01 . 1 . . . . 70 ARG HA . 19332 1 457 . 1 1 70 70 ARG C C 13 175.58 0.05 . 1 . . . . 70 ARG C . 19332 1 458 . 1 1 70 70 ARG CA C 13 55.896 0.1 . 1 . . . . 70 ARG CA . 19332 1 459 . 1 1 70 70 ARG CB C 13 31.114 0.1 . 1 . . . . 70 ARG CB . 19332 1 460 . 1 1 70 70 ARG CG C 13 27.047 0.1 . 1 . . . . 70 ARG CG . 19332 1 461 . 1 1 70 70 ARG CD C 13 43.34 0.1 . 1 . . . . 70 ARG CD . 19332 1 462 . 1 1 70 70 ARG N N 15 122.542 0.05 . 1 . . . . 70 ARG N . 19332 1 463 . 1 1 71 71 LEU H H 1 8.171 0.01 . 1 . . . . 71 LEU H . 19332 1 464 . 1 1 71 71 LEU HA H 1 4.316 0.01 . 1 . . . . 71 LEU HA . 19332 1 465 . 1 1 71 71 LEU C C 13 177.017 0.05 . 1 . . . . 71 LEU C . 19332 1 466 . 1 1 71 71 LEU CA C 13 54.973 0.1 . 1 . . . . 71 LEU CA . 19332 1 467 . 1 1 71 71 LEU CB C 13 42.622 0.1 . 1 . . . . 71 LEU CB . 19332 1 468 . 1 1 71 71 LEU CG C 13 26.998 0.1 . 1 . . . . 71 LEU CG . 19332 1 469 . 1 1 71 71 LEU CD1 C 13 24.966 0.1 . 2 . . . . 71 LEU CD1 . 19332 1 470 . 1 1 71 71 LEU CD2 C 13 23.494 0.1 . 2 . . . . 71 LEU CD2 . 19332 1 471 . 1 1 71 71 LEU N N 15 123.366 0.05 . 1 . . . . 71 LEU N . 19332 1 472 . 1 1 72 72 SER H H 1 8.358 0.01 . 1 . . . . 72 SER H . 19332 1 473 . 1 1 72 72 SER HA H 1 4.708 0.01 . 1 . . . . 72 SER HA . 19332 1 474 . 1 1 72 72 SER C C 13 172.884 0.05 . 1 . . . . 72 SER C . 19332 1 475 . 1 1 72 72 SER CA C 13 56.254 0.1 . 1 . . . . 72 SER CA . 19332 1 476 . 1 1 72 72 SER CB C 13 63.395 0.1 . 1 . . . . 72 SER CB . 19332 1 477 . 1 1 72 72 SER N N 15 118.177 0.05 . 1 . . . . 72 SER N . 19332 1 478 . 1 1 73 73 PRO HA H 1 4.376 0.01 . 1 . . . . 73 PRO HA . 19332 1 479 . 1 1 73 73 PRO C C 13 177.25 0.05 . 1 . . . . 73 PRO C . 19332 1 480 . 1 1 73 73 PRO CA C 13 63.603 0.1 . 1 . . . . 73 PRO CA . 19332 1 481 . 1 1 73 73 PRO CB C 13 32.111 0.1 . 1 . . . . 73 PRO CB . 19332 1 482 . 1 1 73 73 PRO CG C 13 27.354 0.1 . 1 . . . . 73 PRO CG . 19332 1 483 . 1 1 73 73 PRO CD C 13 50.726 0.1 . 1 . . . . 73 PRO CD . 19332 1 484 . 1 1 74 74 LYS H H 1 8.309 0.01 . 1 . . . . 74 LYS H . 19332 1 485 . 1 1 74 74 LYS HA H 1 4.233 0.01 . 1 . . . . 74 LYS HA . 19332 1 486 . 1 1 74 74 LYS C C 13 176.824 0.05 . 1 . . . . 74 LYS C . 19332 1 487 . 1 1 74 74 LYS CA C 13 56.703 0.1 . 1 . . . . 74 LYS CA . 19332 1 488 . 1 1 74 74 LYS CB C 13 32.887 0.1 . 1 . . . . 74 LYS CB . 19332 1 489 . 1 1 74 74 LYS CG C 13 24.614 0.1 . 1 . . . . 74 LYS CG . 19332 1 490 . 1 1 74 74 LYS CD C 13 29.033 0.1 . 1 . . . . 74 LYS CD . 19332 1 491 . 1 1 74 74 LYS CE C 13 41.974 0.1 . 1 . . . . 74 LYS CE . 19332 1 492 . 1 1 74 74 LYS N N 15 120.564 0.05 . 1 . . . . 74 LYS N . 19332 1 493 . 1 1 75 75 ASP H H 1 8.272 0.01 . 1 . . . . 75 ASP H . 19332 1 494 . 1 1 75 75 ASP HA H 1 4.566 0.01 . 1 . . . . 75 ASP HA . 19332 1 495 . 1 1 75 75 ASP C C 13 176.597 0.05 . 1 . . . . 75 ASP C . 19332 1 496 . 1 1 75 75 ASP CA C 13 54.999 0.1 . 1 . . . . 75 ASP CA . 19332 1 497 . 1 1 75 75 ASP CB C 13 41.138 0.1 . 1 . . . . 75 ASP CB . 19332 1 498 . 1 1 75 75 ASP N N 15 121.112 0.05 . 1 . . . . 75 ASP N . 19332 1 499 . 1 1 76 76 SER H H 1 8.162 0.01 . 1 . . . . 76 SER H . 19332 1 500 . 1 1 76 76 SER HA H 1 4.348 0.01 . 1 . . . . 76 SER HA . 19332 1 501 . 1 1 76 76 SER C C 13 174.878 0.05 . 1 . . . . 76 SER C . 19332 1 502 . 1 1 76 76 SER CA C 13 59.023 0.1 . 1 . . . . 76 SER CA . 19332 1 503 . 1 1 76 76 SER CB C 13 63.695 0.1 . 1 . . . . 76 SER CB . 19332 1 504 . 1 1 76 76 SER N N 15 115.435 0.05 . 1 . . . . 76 SER N . 19332 1 505 . 1 1 77 77 GLU H H 1 8.318 0.01 . 1 . . . . 77 GLU H . 19332 1 506 . 1 1 77 77 GLU HA H 1 4.252 0.01 . 1 . . . . 77 GLU HA . 19332 1 507 . 1 1 77 77 GLU C C 13 176.817 0.05 . 1 . . . . 77 GLU C . 19332 1 508 . 1 1 77 77 GLU CA C 13 56.998 0.1 . 1 . . . . 77 GLU CA . 19332 1 509 . 1 1 77 77 GLU CB C 13 29.955 0.1 . 1 . . . . 77 GLU CB . 19332 1 510 . 1 1 77 77 GLU CG C 13 36.198 0.1 . 1 . . . . 77 GLU CG . 19332 1 511 . 1 1 77 77 GLU N N 15 122.226 0.05 . 1 . . . . 77 GLU N . 19332 1 512 . 1 1 78 78 LYS H H 1 8.096 0.01 . 1 . . . . 78 LYS H . 19332 1 513 . 1 1 78 78 LYS HA H 1 4.244 0.01 . 1 . . . . 78 LYS HA . 19332 1 514 . 1 1 78 78 LYS C C 13 176.835 0.05 . 1 . . . . 78 LYS C . 19332 1 515 . 1 1 78 78 LYS CA C 13 56.65 0.1 . 1 . . . . 78 LYS CA . 19332 1 516 . 1 1 78 78 LYS CB C 13 33.031 0.1 . 1 . . . . 78 LYS CB . 19332 1 517 . 1 1 78 78 LYS CG C 13 24.614 0.1 . 1 . . . . 78 LYS CG . 19332 1 518 . 1 1 78 78 LYS CD C 13 29.033 0.1 . 1 . . . . 78 LYS CD . 19332 1 519 . 1 1 78 78 LYS CE C 13 41.974 0.1 . 1 . . . . 78 LYS CE . 19332 1 520 . 1 1 78 78 LYS N N 15 120.962 0.05 . 1 . . . . 78 LYS N . 19332 1 521 . 1 1 79 79 GLU H H 1 8.301 0.01 . 1 . . . . 79 GLU H . 19332 1 522 . 1 1 79 79 GLU HA H 1 4.221 0.01 . 1 . . . . 79 GLU HA . 19332 1 523 . 1 1 79 79 GLU C C 13 176.299 0.05 . 1 . . . . 79 GLU C . 19332 1 524 . 1 1 79 79 GLU CA C 13 56.81 0.1 . 1 . . . . 79 GLU CA . 19332 1 525 . 1 1 79 79 GLU CB C 13 30.145 0.1 . 1 . . . . 79 GLU CB . 19332 1 526 . 1 1 79 79 GLU CG C 13 36.093 0.1 . 1 . . . . 79 GLU CG . 19332 1 527 . 1 1 79 79 GLU N N 15 120.864 0.05 . 1 . . . . 79 GLU N . 19332 1 528 . 1 1 80 80 ASN H H 1 8.363 0.01 . 1 . . . . 80 ASN H . 19332 1 529 . 1 1 80 80 ASN HA H 1 4.657 0.01 . 1 . . . . 80 ASN HA . 19332 1 530 . 1 1 80 80 ASN HD21 H 1 6.893 0.01 . 2 . . . . 80 ASN HD21 . 19332 1 531 . 1 1 80 80 ASN HD22 H 1 7.584 0.01 . 2 . . . . 80 ASN HD22 . 19332 1 532 . 1 1 80 80 ASN C C 13 174.916 0.05 . 1 . . . . 80 ASN C . 19332 1 533 . 1 1 80 80 ASN CA C 13 53.327 0.1 . 1 . . . . 80 ASN CA . 19332 1 534 . 1 1 80 80 ASN CB C 13 38.976 0.1 . 1 . . . . 80 ASN CB . 19332 1 535 . 1 1 80 80 ASN CG C 13 176.98 0.1 . 1 . . . . 80 ASN CG . 19332 1 536 . 1 1 80 80 ASN N N 15 119.087 0.05 . 1 . . . . 80 ASN N . 19332 1 537 . 1 1 80 80 ASN ND2 N 15 112.846 0.01 . 1 . . . . 80 ASN ND2 . 19332 1 538 . 1 1 81 81 GLN H H 1 8.229 0.01 . 1 . . . . 81 GLN H . 19332 1 539 . 1 1 81 81 GLN HA H 1 4.314 0.01 . 1 . . . . 81 GLN HA . 19332 1 540 . 1 1 81 81 GLN HE21 H 1 6.842 0.01 . 2 . . . . 81 GLN HE21 . 19332 1 541 . 1 1 81 81 GLN HE22 H 1 7.506 0.01 . 2 . . . . 81 GLN HE22 . 19332 1 542 . 1 1 81 81 GLN C C 13 175.64 0.05 . 1 . . . . 81 GLN C . 19332 1 543 . 1 1 81 81 GLN CA C 13 55.704 0.1 . 1 . . . . 81 GLN CA . 19332 1 544 . 1 1 81 81 GLN CB C 13 29.569 0.1 . 1 . . . . 81 GLN CB . 19332 1 545 . 1 1 81 81 GLN CG C 13 33.792 0.1 . 1 . . . . 81 GLN CG . 19332 1 546 . 1 1 81 81 GLN CD C 13 180.439 0.1 . 1 . . . . 81 GLN CD . 19332 1 547 . 1 1 81 81 GLN N N 15 120.464 0.05 . 1 . . . . 81 GLN N . 19332 1 548 . 1 1 81 81 GLN NE2 N 15 112.47 0.05 . 1 . . . . 81 GLN NE2 . 19332 1 549 . 1 1 82 82 ILE H H 1 8.248 0.01 . 1 . . . . 82 ILE H . 19332 1 550 . 1 1 82 82 ILE HA H 1 4.365 0.01 . 1 . . . . 82 ILE HA . 19332 1 551 . 1 1 82 82 ILE C C 13 174.672 0.05 . 1 . . . . 82 ILE C . 19332 1 552 . 1 1 82 82 ILE CA C 13 58.784 0.1 . 1 . . . . 82 ILE CA . 19332 1 553 . 1 1 82 82 ILE CB C 13 38.466 0.1 . 1 . . . . 82 ILE CB . 19332 1 554 . 1 1 82 82 ILE N N 15 123.959 0.05 . 1 . . . . 82 ILE N . 19332 1 555 . 1 1 83 83 PRO HA H 1 4.370 0.01 . 1 . . . . 83 PRO HA . 19332 1 556 . 1 1 83 83 PRO C C 13 177.014 0.05 . 1 . . . . 83 PRO C . 19332 1 557 . 1 1 83 83 PRO CA C 13 63.379 0.1 . 1 . . . . 83 PRO CA . 19332 1 558 . 1 1 83 83 PRO CB C 13 32.146 0.1 . 1 . . . . 83 PRO CB . 19332 1 559 . 1 1 83 83 PRO CG C 13 27.379 0.1 . 1 . . . . 83 PRO CG . 19332 1 560 . 1 1 83 83 PRO CD C 13 51.041 0.1 . 1 . . . . 83 PRO CD . 19332 1 561 . 1 1 84 84 GLU H H 1 8.529 0.01 . 1 . . . . 84 GLU H . 19332 1 562 . 1 1 84 84 GLU HA H 1 4.194 0.01 . 1 . . . . 84 GLU HA . 19332 1 563 . 1 1 84 84 GLU C C 13 176.749 0.05 . 1 . . . . 84 GLU C . 19332 1 564 . 1 1 84 84 GLU CA C 13 56.937 0.1 . 1 . . . . 84 GLU CA . 19332 1 565 . 1 1 84 84 GLU CB C 13 30.316 0.1 . 1 . . . . 84 GLU CB . 19332 1 566 . 1 1 84 84 GLU CG C 13 36.237 0.1 . 1 . . . . 84 GLU CG . 19332 1 567 . 1 1 84 84 GLU N N 15 121.284 0.05 . 1 . . . . 84 GLU N . 19332 1 568 . 1 1 85 85 GLU H H 1 8.446 0.01 . 1 . . . . 85 GLU H . 19332 1 569 . 1 1 85 85 GLU HA H 1 4.252 0.01 . 1 . . . . 85 GLU HA . 19332 1 570 . 1 1 85 85 GLU C C 13 176.403 0.05 . 1 . . . . 85 GLU C . 19332 1 571 . 1 1 85 85 GLU CA C 13 56.543 0.1 . 1 . . . . 85 GLU CA . 19332 1 572 . 1 1 85 85 GLU CB C 13 30.268 0.1 . 1 . . . . 85 GLU CB . 19332 1 573 . 1 1 85 85 GLU CG C 13 36.063 0.1 . 1 . . . . 85 GLU CG . 19332 1 574 . 1 1 85 85 GLU N N 15 121.906 0.05 . 1 . . . . 85 GLU N . 19332 1 575 . 1 1 86 86 ALA H H 1 8.365 0.01 . 1 . . . . 86 ALA H . 19332 1 576 . 1 1 86 86 ALA HA H 1 4.276 0.01 . 1 . . . . 86 ALA HA . 19332 1 577 . 1 1 86 86 ALA C C 13 178.512 0.05 . 1 . . . . 86 ALA C . 19332 1 578 . 1 1 86 86 ALA CA C 13 53.017 0.1 . 1 . . . . 86 ALA CA . 19332 1 579 . 1 1 86 86 ALA CB C 13 19.177 0.1 . 1 . . . . 86 ALA CB . 19332 1 580 . 1 1 86 86 ALA N N 15 125.471 0.05 . 1 . . . . 86 ALA N . 19332 1 581 . 1 1 87 87 GLY H H 1 8.403 0.01 . 1 . . . . 87 GLY H . 19332 1 582 . 1 1 87 87 GLY HA2 H 1 3.995 0.01 . 2 . . . . 87 GLY HA2 . 19332 1 583 . 1 1 87 87 GLY C C 13 174.662 0.05 . 1 . . . . 87 GLY C . 19332 1 584 . 1 1 87 87 GLY CA C 13 45.507 0.1 . 1 . . . . 87 GLY CA . 19332 1 585 . 1 1 87 87 GLY N N 15 108.01 0.05 . 1 . . . . 87 GLY N . 19332 1 586 . 1 1 88 88 SER H H 1 8.198 0.01 . 1 . . . . 88 SER H . 19332 1 587 . 1 1 88 88 SER HA H 1 4.466 0.01 . 1 . . . . 88 SER HA . 19332 1 588 . 1 1 88 88 SER C C 13 175.082 0.05 . 1 . . . . 88 SER C . 19332 1 589 . 1 1 88 88 SER CA C 13 58.6 0.1 . 1 . . . . 88 SER CA . 19332 1 590 . 1 1 88 88 SER CB C 13 63.871 0.1 . 1 . . . . 88 SER CB . 19332 1 591 . 1 1 88 88 SER N N 15 115.47 0.05 . 1 . . . . 88 SER N . 19332 1 592 . 1 1 89 89 SER H H 1 8.397 0.01 . 1 . . . . 89 SER H . 19332 1 593 . 1 1 89 89 SER HA H 1 4.440 0.01 . 1 . . . . 89 SER HA . 19332 1 594 . 1 1 89 89 SER C C 13 175.201 0.05 . 1 . . . . 89 SER C . 19332 1 595 . 1 1 89 89 SER CA C 13 58.811 0.1 . 1 . . . . 89 SER CA . 19332 1 596 . 1 1 89 89 SER CB C 13 63.781 0.1 . 1 . . . . 89 SER CB . 19332 1 597 . 1 1 89 89 SER N N 15 117.54 0.05 . 1 . . . . 89 SER N . 19332 1 598 . 1 1 90 90 GLY H H 1 8.389 0.01 . 1 . . . . 90 GLY H . 19332 1 599 . 1 1 90 90 GLY HA2 H 1 3.969 0.01 . 2 . . . . 90 GLY HA2 . 19332 1 600 . 1 1 90 90 GLY C C 13 174.422 0.05 . 1 . . . . 90 GLY C . 19332 1 601 . 1 1 90 90 GLY CA C 13 45.534 0.1 . 1 . . . . 90 GLY CA . 19332 1 602 . 1 1 90 90 GLY N N 15 110.496 0.05 . 1 . . . . 90 GLY N . 19332 1 603 . 1 1 91 91 LEU H H 1 8.092 0.01 . 1 . . . . 91 LEU H . 19332 1 604 . 1 1 91 91 LEU HA H 1 4.300 0.01 . 1 . . . . 91 LEU HA . 19332 1 605 . 1 1 91 91 LEU C C 13 178.197 0.05 . 1 . . . . 91 LEU C . 19332 1 606 . 1 1 91 91 LEU CA C 13 55.541 0.1 . 1 . . . . 91 LEU CA . 19332 1 607 . 1 1 91 91 LEU CB C 13 42.331 0.1 . 1 . . . . 91 LEU CB . 19332 1 608 . 1 1 91 91 LEU CG C 13 27.372 0.1 . 1 . . . . 91 LEU CG . 19332 1 609 . 1 1 91 91 LEU CD1 C 13 24.895 0.1 . 2 . . . . 91 LEU CD1 . 19332 1 610 . 1 1 91 91 LEU CD2 C 13 23.269 0.1 . 2 . . . . 91 LEU CD2 . 19332 1 611 . 1 1 91 91 LEU N N 15 121.533 0.05 . 1 . . . . 91 LEU N . 19332 1 612 . 1 1 92 92 GLY H H 1 8.454 0.01 . 1 . . . . 92 GLY H . 19332 1 613 . 1 1 92 92 GLY HA2 H 1 3.932 0.01 . 2 . . . . 92 GLY HA2 . 19332 1 614 . 1 1 92 92 GLY C C 13 174.441 0.05 . 1 . . . . 92 GLY C . 19332 1 615 . 1 1 92 92 GLY CA C 13 45.583 0.1 . 1 . . . . 92 GLY CA . 19332 1 616 . 1 1 92 92 GLY N N 15 109.393 0.05 . 1 . . . . 92 GLY N . 19332 1 617 . 1 1 93 93 LYS H H 1 8.068 0.01 . 1 . . . . 93 LYS H . 19332 1 618 . 1 1 93 93 LYS HA H 1 4.254 0.01 . 1 . . . . 93 LYS HA . 19332 1 619 . 1 1 93 93 LYS C C 13 176.577 0.05 . 1 . . . . 93 LYS C . 19332 1 620 . 1 1 93 93 LYS CA C 13 56.374 0.1 . 1 . . . . 93 LYS CA . 19332 1 621 . 1 1 93 93 LYS CB C 13 33.041 0.1 . 1 . . . . 93 LYS CB . 19332 1 622 . 1 1 93 93 LYS CG C 13 24.736 0.1 . 1 . . . . 93 LYS CG . 19332 1 623 . 1 1 93 93 LYS CD C 13 29.073 0.1 . 1 . . . . 93 LYS CD . 19332 1 624 . 1 1 93 93 LYS CE C 13 42.153 0.1 . 1 . . . . 93 LYS CE . 19332 1 625 . 1 1 93 93 LYS N N 15 120.71 0.05 . 1 . . . . 93 LYS N . 19332 1 626 . 1 1 94 94 ALA H H 1 8.209 0.01 . 1 . . . . 94 ALA H . 19332 1 627 . 1 1 94 94 ALA HA H 1 4.255 0.01 . 1 . . . . 94 ALA HA . 19332 1 628 . 1 1 94 94 ALA C C 13 177.762 0.05 . 1 . . . . 94 ALA C . 19332 1 629 . 1 1 94 94 ALA CA C 13 52.581 0.1 . 1 . . . . 94 ALA CA . 19332 1 630 . 1 1 94 94 ALA CB C 13 19.232 0.1 . 1 . . . . 94 ALA CB . 19332 1 631 . 1 1 94 94 ALA N N 15 124.359 0.05 . 1 . . . . 94 ALA N . 19332 1 632 . 1 1 95 95 LYS H H 1 8.223 0.01 . 1 . . . . 95 LYS H . 19332 1 633 . 1 1 95 95 LYS HA H 1 4.247 0.01 . 1 . . . . 95 LYS HA . 19332 1 634 . 1 1 95 95 LYS C C 13 176.587 0.05 . 1 . . . . 95 LYS C . 19332 1 635 . 1 1 95 95 LYS CA C 13 56.283 0.1 . 1 . . . . 95 LYS CA . 19332 1 636 . 1 1 95 95 LYS CB C 13 33.037 0.1 . 1 . . . . 95 LYS CB . 19332 1 637 . 1 1 95 95 LYS N N 15 120.71 0.05 . 1 . . . . 95 LYS N . 19332 1 638 . 1 1 96 96 ARG H H 1 8.271 0.01 . 1 . . . . 96 ARG H . 19332 1 639 . 1 1 96 96 ARG HA H 1 4.283 0.01 . 1 . . . . 96 ARG HA . 19332 1 640 . 1 1 96 96 ARG C C 13 176.159 0.05 . 1 . . . . 96 ARG C . 19332 1 641 . 1 1 96 96 ARG CA C 13 56.058 0.1 . 1 . . . . 96 ARG CA . 19332 1 642 . 1 1 96 96 ARG CB C 13 31.009 0.1 . 1 . . . . 96 ARG CB . 19332 1 643 . 1 1 96 96 ARG CG C 13 27.074 0.1 . 1 . . . . 96 ARG CG . 19332 1 644 . 1 1 96 96 ARG CD C 13 43.375 0.1 . 1 . . . . 96 ARG CD . 19332 1 645 . 1 1 96 96 ARG N N 15 122.451 0.05 . 1 . . . . 96 ARG N . 19332 1 646 . 1 1 97 97 LYS H H 1 8.369 0.01 . 1 . . . . 97 LYS H . 19332 1 647 . 1 1 97 97 LYS HA H 1 4.245 0.01 . 1 . . . . 97 LYS HA . 19332 1 648 . 1 1 97 97 LYS C C 13 176.086 0.05 . 1 . . . . 97 LYS C . 19332 1 649 . 1 1 97 97 LYS CA C 13 56.252 0.1 . 1 . . . . 97 LYS CA . 19332 1 650 . 1 1 97 97 LYS CB C 13 33.208 0.1 . 1 . . . . 97 LYS CB . 19332 1 651 . 1 1 97 97 LYS CG C 13 24.644 0.1 . 1 . . . . 97 LYS CG . 19332 1 652 . 1 1 97 97 LYS CD C 13 29.128 0.1 . 1 . . . . 97 LYS CD . 19332 1 653 . 1 1 97 97 LYS CE C 13 42.106 0.1 . 1 . . . . 97 LYS CE . 19332 1 654 . 1 1 97 97 LYS N N 15 123.446 0.05 . 1 . . . . 97 LYS N . 19332 1 655 . 1 1 98 98 ALA H H 1 8.359 0.01 . 1 . . . . 98 ALA H . 19332 1 656 . 1 1 98 98 ALA HA H 1 4.290 0.01 . 1 . . . . 98 ALA HA . 19332 1 657 . 1 1 98 98 ALA C C 13 177.202 0.05 . 1 . . . . 98 ALA C . 19332 1 658 . 1 1 98 98 ALA CA C 13 52.436 0.1 . 1 . . . . 98 ALA CA . 19332 1 659 . 1 1 98 98 ALA CB C 13 19.311 0.1 . 1 . . . . 98 ALA CB . 19332 1 660 . 1 1 98 98 ALA N N 15 125.765 0.05 . 1 . . . . 98 ALA N . 19332 1 661 . 1 1 99 99 CYS H H 1 8.350 0.01 . 1 . . . . 99 CYS H . 19332 1 662 . 1 1 99 99 CYS HA H 1 4.753 0.01 . 1 . . . . 99 CYS HA . 19332 1 663 . 1 1 99 99 CYS C C 13 172.77 0.05 . 1 . . . . 99 CYS C . 19332 1 664 . 1 1 99 99 CYS CA C 13 56.457 0.1 . 1 . . . . 99 CYS CA . 19332 1 665 . 1 1 99 99 CYS CB C 13 27.697 0.1 . 1 . . . . 99 CYS CB . 19332 1 666 . 1 1 99 99 CYS N N 15 120.357 0.05 . 1 . . . . 99 CYS N . 19332 1 667 . 1 1 100 100 PRO HA H 1 4.385 0.01 . 1 . . . . 100 PRO HA . 19332 1 668 . 1 1 100 100 PRO C C 13 176.632 0.05 . 1 . . . . 100 PRO C . 19332 1 669 . 1 1 100 100 PRO CA C 13 63.334 0.1 . 1 . . . . 100 PRO CA . 19332 1 670 . 1 1 100 100 PRO CB C 13 32.155 0.1 . 1 . . . . 100 PRO CB . 19332 1 671 . 1 1 100 100 PRO CG C 13 27.226 0.1 . 1 . . . . 100 PRO CG . 19332 1 672 . 1 1 100 100 PRO CD C 13 50.78 0.1 . 1 . . . . 100 PRO CD . 19332 1 673 . 1 1 101 101 LEU H H 1 8.244 0.01 . 1 . . . . 101 LEU H . 19332 1 674 . 1 1 101 101 LEU HA H 1 4.272 0.01 . 1 . . . . 101 LEU HA . 19332 1 675 . 1 1 101 101 LEU C C 13 177.105 0.05 . 1 . . . . 101 LEU C . 19332 1 676 . 1 1 101 101 LEU CA C 13 55.275 0.1 . 1 . . . . 101 LEU CA . 19332 1 677 . 1 1 101 101 LEU CB C 13 42.295 0.1 . 1 . . . . 101 LEU CB . 19332 1 678 . 1 1 101 101 LEU CG C 13 27.226 0.1 . 1 . . . . 101 LEU CG . 19332 1 679 . 1 1 101 101 LEU CD1 C 13 24.718 0.1 . 2 . . . . 101 LEU CD1 . 19332 1 680 . 1 1 101 101 LEU CD2 C 13 23.424 0.1 . 2 . . . . 101 LEU CD2 . 19332 1 681 . 1 1 101 101 LEU N N 15 121.659 0.05 . 1 . . . . 101 LEU N . 19332 1 682 . 1 1 102 102 GLN H H 1 8.245 0.01 . 1 . . . . 102 GLN H . 19332 1 683 . 1 1 102 102 GLN HA H 1 4.625 0.01 . 1 . . . . 102 GLN HA . 19332 1 684 . 1 1 102 102 GLN HE21 H 1 6.86 0.01 . 2 . . . . 102 GLN HE21 . 19332 1 685 . 1 1 102 102 GLN HE22 H 1 7.55 0.01 . 2 . . . . 102 GLN HE22 . 19332 1 686 . 1 1 102 102 GLN C C 13 173.941 0.05 . 1 . . . . 102 GLN C . 19332 1 687 . 1 1 102 102 GLN CA C 13 53.395 0.1 . 1 . . . . 102 GLN CA . 19332 1 688 . 1 1 102 102 GLN CB C 13 29.211 0.1 . 1 . . . . 102 GLN CB . 19332 1 689 . 1 1 102 102 GLN CD C 13 180.587 0.1 . 1 . . . . 102 GLN CD . 19332 1 690 . 1 1 102 102 GLN N N 15 121.679 0.05 . 1 . . . . 102 GLN N . 19332 1 691 . 1 1 102 102 GLN NE2 N 15 112.391 0.05 . 1 . . . . 102 GLN NE2 . 19332 1 692 . 1 1 103 103 PRO HA H 1 4.353 0.01 . 1 . . . . 103 PRO HA . 19332 1 693 . 1 1 103 103 PRO C C 13 176.431 0.05 . 1 . . . . 103 PRO C . 19332 1 694 . 1 1 103 103 PRO CA C 13 63.298 0.1 . 1 . . . . 103 PRO CA . 19332 1 695 . 1 1 103 103 PRO CB C 13 32.15 0.1 . 1 . . . . 103 PRO CB . 19332 1 696 . 1 1 103 103 PRO CG C 13 27.247 0.1 . 1 . . . . 103 PRO CG . 19332 1 697 . 1 1 103 103 PRO CD C 13 50.596 0.1 . 1 . . . . 103 PRO CD . 19332 1 698 . 1 1 104 104 ASP H H 1 8.392 0.01 . 1 . . . . 104 ASP H . 19332 1 699 . 1 1 104 104 ASP HA H 1 4.514 0.01 . 1 . . . . 104 ASP HA . 19332 1 700 . 1 1 104 104 ASP C C 13 176.108 0.05 . 1 . . . . 104 ASP C . 19332 1 701 . 1 1 104 104 ASP CA C 13 54.181 0.1 . 1 . . . . 104 ASP CA . 19332 1 702 . 1 1 104 104 ASP CB C 13 41.129 0.1 . 1 . . . . 104 ASP CB . 19332 1 703 . 1 1 104 104 ASP N N 15 119.792 0.05 . 1 . . . . 104 ASP N . 19332 1 704 . 1 1 105 105 HIS H H 1 8.405 0.01 . 1 . . . . 105 HIS H . 19332 1 705 . 1 1 105 105 HIS HA H 1 4.760 0.01 . 1 . . . . 105 HIS HA . 19332 1 706 . 1 1 105 105 HIS C C 13 174.834 0.05 . 1 . . . . 105 HIS C . 19332 1 707 . 1 1 105 105 HIS CA C 13 55.524 0.1 . 1 . . . . 105 HIS CA . 19332 1 708 . 1 1 105 105 HIS CB C 13 29.13 0.1 . 1 . . . . 105 HIS CB . 19332 1 709 . 1 1 105 105 HIS N N 15 118.764 0.05 . 1 . . . . 105 HIS N . 19332 1 710 . 1 1 106 106 THR H H 1 8.313 0.01 . 1 . . . . 106 THR H . 19332 1 711 . 1 1 106 106 THR HA H 1 4.248 0.01 . 1 . . . . 106 THR HA . 19332 1 712 . 1 1 106 106 THR C C 13 174.585 0.05 . 1 . . . . 106 THR C . 19332 1 713 . 1 1 106 106 THR CA C 13 62.697 0.1 . 1 . . . . 106 THR CA . 19332 1 714 . 1 1 106 106 THR CB C 13 69.738 0.1 . 1 . . . . 106 THR CB . 19332 1 715 . 1 1 106 106 THR CG2 C 13 21.59 0.1 . 1 . . . . 106 THR CG2 . 19332 1 716 . 1 1 106 106 THR N N 15 115.341 0.05 . 1 . . . . 106 THR N . 19332 1 717 . 1 1 107 107 ASN H H 1 8.521 0.01 . 1 . . . . 107 ASN H . 19332 1 718 . 1 1 107 107 ASN HA H 1 4.743 0.01 . 1 . . . . 107 ASN HA . 19332 1 719 . 1 1 107 107 ASN HD21 H 1 6.91 0.01 . 2 . . . . 107 ASN HD21 . 19332 1 720 . 1 1 107 107 ASN HD22 H 1 7.616 0.01 . 2 . . . . 107 ASN HD22 . 19332 1 721 . 1 1 107 107 ASN C C 13 174.891 0.05 . 1 . . . . 107 ASN C . 19332 1 722 . 1 1 107 107 ASN CA C 13 53.392 0.1 . 1 . . . . 107 ASN CA . 19332 1 723 . 1 1 107 107 ASN CB C 13 39.006 0.1 . 1 . . . . 107 ASN CB . 19332 1 724 . 1 1 107 107 ASN CG C 13 177.199 0.1 . 1 . . . . 107 ASN CG . 19332 1 725 . 1 1 107 107 ASN N N 15 120.19 0.05 . 1 . . . . 107 ASN N . 19332 1 726 . 1 1 107 107 ASN ND2 N 15 113.101 0.05 . 1 . . . . 107 ASN ND2 . 19332 1 727 . 1 1 108 108 ASP H H 1 8.207 0.01 . 1 . . . . 108 ASP H . 19332 1 728 . 1 1 108 108 ASP HA H 1 4.559 0.01 . 1 . . . . 108 ASP HA . 19332 1 729 . 1 1 108 108 ASP C C 13 176.154 0.05 . 1 . . . . 108 ASP C . 19332 1 730 . 1 1 108 108 ASP CA C 13 54.614 0.1 . 1 . . . . 108 ASP CA . 19332 1 731 . 1 1 108 108 ASP CB C 13 41.06 0.1 . 1 . . . . 108 ASP CB . 19332 1 732 . 1 1 108 108 ASP N N 15 120.695 0.05 . 1 . . . . 108 ASP N . 19332 1 733 . 1 1 109 109 GLU H H 1 8.294 0.01 . 1 . . . . 109 GLU H . 19332 1 734 . 1 1 109 109 GLU HA H 1 4.248 0.01 . 1 . . . . 109 GLU HA . 19332 1 735 . 1 1 109 109 GLU C C 13 176.27 0.05 . 1 . . . . 109 GLU C . 19332 1 736 . 1 1 109 109 GLU CA C 13 56.491 0.1 . 1 . . . . 109 GLU CA . 19332 1 737 . 1 1 109 109 GLU CB C 13 30.104 0.1 . 1 . . . . 109 GLU CB . 19332 1 738 . 1 1 109 109 GLU CG C 13 36.029 0.1 . 1 . . . . 109 GLU CG . 19332 1 739 . 1 1 109 109 GLU N N 15 120.752 0.05 . 1 . . . . 109 GLU N . 19332 1 740 . 1 1 110 110 LYS H H 1 8.272 0.01 . 1 . . . . 110 LYS H . 19332 1 741 . 1 1 110 110 LYS HA H 1 4.308 0.01 . 1 . . . . 110 LYS HA . 19332 1 742 . 1 1 110 110 LYS C C 13 175.649 0.05 . 1 . . . . 110 LYS C . 19332 1 743 . 1 1 110 110 LYS CA C 13 56.191 0.1 . 1 . . . . 110 LYS CA . 19332 1 744 . 1 1 110 110 LYS CB C 13 33.198 0.1 . 1 . . . . 110 LYS CB . 19332 1 745 . 1 1 110 110 LYS CG C 13 24.498 0.1 . 1 . . . . 110 LYS CG . 19332 1 746 . 1 1 110 110 LYS CD C 13 28.932 0.1 . 1 . . . . 110 LYS CD . 19332 1 747 . 1 1 110 110 LYS CE C 13 42.168 0.1 . 1 . . . . 110 LYS CE . 19332 1 748 . 1 1 110 110 LYS N N 15 122.45 0.05 . 1 . . . . 110 LYS N . 19332 1 749 . 1 1 111 111 GLU H H 1 8.005 0.01 . 1 . . . . 111 GLU H . 19332 1 750 . 1 1 111 111 GLU HA H 1 4.088 0.01 . 1 . . . . 111 GLU HA . 19332 1 751 . 1 1 111 111 GLU C C 13 181.039 0.05 . 1 . . . . 111 GLU C . 19332 1 752 . 1 1 111 111 GLU CA C 13 58.008 0.1 . 1 . . . . 111 GLU CA . 19332 1 753 . 1 1 111 111 GLU CB C 13 31.029 0.1 . 1 . . . . 111 GLU CB . 19332 1 754 . 1 1 111 111 GLU N N 15 127.06 0.05 . 1 . . . . 111 GLU N . 19332 1 stop_ save_