data_16111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16111 _Entry.Title ; Sequence-specific 1H, 15N and 13C resonance assignments of Art v 1: a proline-rich allergen of Artemisia vulgaris pollen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-08 _Entry.Accession_date 2009-01-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Guilherme Razzera . . . 16111 2 Gabriele Gadermaier . . . 16111 3 Marcius Almeida . . . 16111 4 Fatima Ferreira . . . 16111 5 Fabio Almeida . . . 16111 6 'Ana Paula' Valente . . . 16111 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Christian Doppler Laboratory for Allergy Diagnosis and Therapy' . 16111 . . 'University of Salzburg, Austria' . 16111 . . 'Universidade Federal do Rio de Janeiro - UFRJ' . 16111 1 . 'Centro Nacional de Ressonancia Magnetica Nuclear- Jiri Jonas- CNRMN' . 16111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 16111 '15N chemical shifts' 106 16111 '1H chemical shifts' 603 16111 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 4 . . 2010-04-15 2009-01-08 update BMRB 'added related PDB ID' 16111 3 . . 2009-08-20 2009-01-08 update BMRB 'added PubMed ID' 16111 2 . . 2009-06-05 2009-01-08 update BMRB 'completed entry citation' 16111 1 . . 2009-03-17 2009-01-08 original author 'original release' 16111 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KPY 'BMRB Entry Tracking System' 16111 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 16111 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-009-9151-y _Citation.PubMed_ID 19636957 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H, 15N and 13C resonance assignments of Art v 1: a proline-rich allergen of Artemisia vulgaris pollen' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 103 _Citation.Page_last 106 _Citation.Year 2009 _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 Guilherme Razzera . . . 16111 1 2 Gabriele Gadermaier . . . 16111 1 3 Marcius Almeida . S. . 16111 1 4 Fatima Ferreira . . . 16111 1 5 Fabio Almeida . C.L. . 16111 1 6 'Ana Paula' Valente . . . 16111 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Artemisia vulgaris' 16111 1 'Art v 1' 16111 1 'pollen allergen' 16111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16111 _Assembly.ID 1 _Assembly.Name 'Art v 1- the major allergen of Artemisia vulgaris' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10800 _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 'Art v 1' 1 $Art_v_1 A . yes native no no . . . 16111 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'Art v 1' 1 CYS 6 6 SG . 1 'Art v 1' 1 CYS 53 53 SG . . . . . . . . . . 16111 1 2 disulfide single . 1 'Art v 1' 1 CYS 17 17 SG . 1 'Art v 1' 1 CYS 37 37 SG . . . . . . . . . . 16111 1 3 disulfide single . 1 'Art v 1' 1 CYS 22 22 SG . 1 'Art v 1' 1 CYS 47 47 SG . . . . . . . . . . 16111 1 4 disulfide single . 1 'Art v 1' 1 CYS 26 26 SG . 1 'Art v 1' 1 CYS 49 49 SG . . . . . . . . . . 16111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Art_v_1 _Entity.Sf_category entity _Entity.Sf_framecode Art_v_1 _Entity.Entry_ID 16111 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Art_v_1 _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 ; AGSKLCEKTSKTYSGKCDNK KCDKKCIEWEKAQHGACHKR EAGKESCFCYFDCSKSPPGA TPAPPGAAPPPAAGGSPSPP ADGGSPPPPADGGSPPVDGG SPPPPSTH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Proline-rich allergen of Artemisia vulgaris pollen' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Major allergen of Artemisia vulgaris - Art v 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10800.0 _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 PDB 2KPY . "Solution Structure Of The Major Allergen Of Artemisia Vulgaris (Art V 1)" . . . . . 100.00 108 100.00 100.00 4.48e-65 . . . . 16111 1 2 no GB AAO24900 . "major pollen allergen Art v 1 precursor [Artemisia vulgaris]" . . . . . 100.00 132 100.00 100.00 8.27e-66 . . . . 16111 1 3 no GB AAQ07455 . "major pollen allergen Artv1 [synthetic construct]" . . . . . 100.00 109 100.00 100.00 4.15e-65 . . . . 16111 1 4 no GB AHF71025 . "major pollen allergen Art v 1-like protein, partial [Artemisia ludoviciana]" . . . . . 100.00 108 97.22 97.22 8.97e-63 . . . . 16111 1 5 no SP Q84ZX5 . "RecName: Full=Major pollen allergen Art v 1; AltName: Full=Defensin-like protein 1; AltName: Allergen=Art v 1; Flags: Precursor" . . . . . 100.00 132 100.00 100.00 8.27e-66 . . . . 16111 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Allergen 16111 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 . ALA . 16111 1 2 . GLY . 16111 1 3 . SER . 16111 1 4 . LYS . 16111 1 5 . LEU . 16111 1 6 . CYS . 16111 1 7 . GLU . 16111 1 8 . LYS . 16111 1 9 . THR . 16111 1 10 . SER . 16111 1 11 . LYS . 16111 1 12 . THR . 16111 1 13 . TYR . 16111 1 14 . SER . 16111 1 15 . GLY . 16111 1 16 . LYS . 16111 1 17 . CYS . 16111 1 18 . ASP . 16111 1 19 . ASN . 16111 1 20 . LYS . 16111 1 21 . LYS . 16111 1 22 . CYS . 16111 1 23 . ASP . 16111 1 24 . LYS . 16111 1 25 . LYS . 16111 1 26 . CYS . 16111 1 27 . ILE . 16111 1 28 . GLU . 16111 1 29 . TRP . 16111 1 30 . GLU . 16111 1 31 . LYS . 16111 1 32 . ALA . 16111 1 33 . GLN . 16111 1 34 . HIS . 16111 1 35 . GLY . 16111 1 36 . ALA . 16111 1 37 . CYS . 16111 1 38 . HIS . 16111 1 39 . LYS . 16111 1 40 . ARG . 16111 1 41 . GLU . 16111 1 42 . ALA . 16111 1 43 . GLY . 16111 1 44 . LYS . 16111 1 45 . GLU . 16111 1 46 . SER . 16111 1 47 . CYS . 16111 1 48 . PHE . 16111 1 49 . CYS . 16111 1 50 . TYR . 16111 1 51 . PHE . 16111 1 52 . ASP . 16111 1 53 . CYS . 16111 1 54 . SER . 16111 1 55 . LYS . 16111 1 56 . SER . 16111 1 57 . PRO . 16111 1 58 . PRO . 16111 1 59 . GLY . 16111 1 60 . ALA . 16111 1 61 . THR . 16111 1 62 . PRO . 16111 1 63 . ALA . 16111 1 64 . PRO . 16111 1 65 . PRO . 16111 1 66 . GLY . 16111 1 67 . ALA . 16111 1 68 . ALA . 16111 1 69 . PRO . 16111 1 70 . PRO . 16111 1 71 . PRO . 16111 1 72 . ALA . 16111 1 73 . ALA . 16111 1 74 . GLY . 16111 1 75 . GLY . 16111 1 76 . SER . 16111 1 77 . PRO . 16111 1 78 . SER . 16111 1 79 . PRO . 16111 1 80 . PRO . 16111 1 81 . ALA . 16111 1 82 . ASP . 16111 1 83 . GLY . 16111 1 84 . GLY . 16111 1 85 . SER . 16111 1 86 . PRO . 16111 1 87 . PRO . 16111 1 88 . PRO . 16111 1 89 . PRO . 16111 1 90 . ALA . 16111 1 91 . ASP . 16111 1 92 . GLY . 16111 1 93 . GLY . 16111 1 94 . SER . 16111 1 95 . PRO . 16111 1 96 . PRO . 16111 1 97 . VAL . 16111 1 98 . ASP . 16111 1 99 . GLY . 16111 1 100 . GLY . 16111 1 101 . SER . 16111 1 102 . PRO . 16111 1 103 . PRO . 16111 1 104 . PRO . 16111 1 105 . PRO . 16111 1 106 . SER . 16111 1 107 . THR . 16111 1 108 . HIS . 16111 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16111 1 . GLY 2 2 16111 1 . SER 3 3 16111 1 . LYS 4 4 16111 1 . LEU 5 5 16111 1 . CYS 6 6 16111 1 . GLU 7 7 16111 1 . LYS 8 8 16111 1 . THR 9 9 16111 1 . SER 10 10 16111 1 . LYS 11 11 16111 1 . THR 12 12 16111 1 . TYR 13 13 16111 1 . SER 14 14 16111 1 . GLY 15 15 16111 1 . LYS 16 16 16111 1 . CYS 17 17 16111 1 . ASP 18 18 16111 1 . ASN 19 19 16111 1 . LYS 20 20 16111 1 . LYS 21 21 16111 1 . CYS 22 22 16111 1 . ASP 23 23 16111 1 . LYS 24 24 16111 1 . LYS 25 25 16111 1 . CYS 26 26 16111 1 . ILE 27 27 16111 1 . GLU 28 28 16111 1 . TRP 29 29 16111 1 . GLU 30 30 16111 1 . LYS 31 31 16111 1 . ALA 32 32 16111 1 . GLN 33 33 16111 1 . HIS 34 34 16111 1 . GLY 35 35 16111 1 . ALA 36 36 16111 1 . CYS 37 37 16111 1 . HIS 38 38 16111 1 . LYS 39 39 16111 1 . ARG 40 40 16111 1 . GLU 41 41 16111 1 . ALA 42 42 16111 1 . GLY 43 43 16111 1 . LYS 44 44 16111 1 . GLU 45 45 16111 1 . SER 46 46 16111 1 . CYS 47 47 16111 1 . PHE 48 48 16111 1 . CYS 49 49 16111 1 . TYR 50 50 16111 1 . PHE 51 51 16111 1 . ASP 52 52 16111 1 . CYS 53 53 16111 1 . SER 54 54 16111 1 . LYS 55 55 16111 1 . SER 56 56 16111 1 . PRO 57 57 16111 1 . PRO 58 58 16111 1 . GLY 59 59 16111 1 . ALA 60 60 16111 1 . THR 61 61 16111 1 . PRO 62 62 16111 1 . ALA 63 63 16111 1 . PRO 64 64 16111 1 . PRO 65 65 16111 1 . GLY 66 66 16111 1 . ALA 67 67 16111 1 . ALA 68 68 16111 1 . PRO 69 69 16111 1 . PRO 70 70 16111 1 . PRO 71 71 16111 1 . ALA 72 72 16111 1 . ALA 73 73 16111 1 . GLY 74 74 16111 1 . GLY 75 75 16111 1 . SER 76 76 16111 1 . PRO 77 77 16111 1 . SER 78 78 16111 1 . PRO 79 79 16111 1 . PRO 80 80 16111 1 . ALA 81 81 16111 1 . ASP 82 82 16111 1 . GLY 83 83 16111 1 . GLY 84 84 16111 1 . SER 85 85 16111 1 . PRO 86 86 16111 1 . PRO 87 87 16111 1 . PRO 88 88 16111 1 . PRO 89 89 16111 1 . ALA 90 90 16111 1 . ASP 91 91 16111 1 . GLY 92 92 16111 1 . GLY 93 93 16111 1 . SER 94 94 16111 1 . PRO 95 95 16111 1 . PRO 96 96 16111 1 . VAL 97 97 16111 1 . ASP 98 98 16111 1 . GLY 99 99 16111 1 . GLY 100 100 16111 1 . SER 101 101 16111 1 . PRO 102 102 16111 1 . PRO 103 103 16111 1 . PRO 104 104 16111 1 . PRO 105 105 16111 1 . SER 106 106 16111 1 . THR 107 107 16111 1 . HIS 108 108 16111 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 16111 _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 $Art_v_1 . 4220 organism . 'Artemisia vulgaris' 'common wormwood' . . Eukaryota Viridiplantae Artemisia vulgaris . . . . . . . . . . . . . . . . . . . . . 16111 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 16111 _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 $Art_v_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta-gami B(DE3)pLysS' . . . . . . . . . . . . . . . 'pHIS parellel2' . . . . . . 16111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16111 _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 'Art v 1' '[U-99% 13C; U-99% 15N]' . . 1 $Art_v_1 . . 1 . . mM . . . . 16111 1 2 'Potassium Acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 16111 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 16111 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 16111 1 pH 5.3 . pH 16111 1 pressure 1 . atm 16111 1 temperature 298 . K 16111 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16111 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16111 1 'data analysis' 16111 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16111 _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' . . 16111 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16111 2 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 16111 _Software.ID 3 _Software.Name CARA _Software.Version 1.84 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16111 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16111 3 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 16111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16111 _NMR_spectrometer.ID 2 _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 16111 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16111 1 2 spectrometer_2 Bruker Avance . 800 . . . 16111 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 16111 _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 . . . . . . . . . . . . . . . . 16111 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1 12 HCAN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 1 13 HCACON no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 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 16111 _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 . indirect 0.251449530 . . . . . . . . . 16111 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16111 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16111 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_artv1_BMRB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode artv1_BMRB _Assigned_chem_shift_list.Entry_ID 16111 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 9 '3D 1H-15N NOESY' . . . 16111 1 10 '3D 1H-13C NOESY' . . . 16111 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 1 1 ALA HA H 1 4.332 0.020 . 1 . . . . 1 ALA HA . 16111 1 2 . 1 1 1 1 ALA HB1 H 1 1.399 0.020 . 1 . . . . 1 ALA QB . 16111 1 3 . 1 1 1 1 ALA HB2 H 1 1.399 0.020 . 1 . . . . 1 ALA QB . 16111 1 4 . 1 1 1 1 ALA HB3 H 1 1.399 0.020 . 1 . . . . 1 ALA QB . 16111 1 5 . 1 1 1 1 ALA CA C 13 52.176 0.300 . 1 . . . . 1 ALA CA . 16111 1 6 . 1 1 1 1 ALA CB C 13 19.040 0.300 . 1 . . . . 1 ALA CB . 16111 1 7 . 1 1 2 2 GLY H H 1 8.402 0.020 . 1 . . . . 2 GLY H . 16111 1 8 . 1 1 2 2 GLY HA2 H 1 4.045 0.020 . 1 . . . . 2 GLY QA . 16111 1 9 . 1 1 2 2 GLY HA3 H 1 4.045 0.020 . 1 . . . . 2 GLY QA . 16111 1 10 . 1 1 2 2 GLY CA C 13 44.880 0.300 . 1 . . . . 2 GLY CA . 16111 1 11 . 1 1 2 2 GLY N N 15 108.154 0.300 . 1 . . . . 2 GLY N . 16111 1 12 . 1 1 3 3 SER H H 1 8.349 0.020 . 1 . . . . 3 SER H . 16111 1 13 . 1 1 3 3 SER HA H 1 4.502 0.020 . 1 . . . . 3 SER HA . 16111 1 14 . 1 1 3 3 SER HB2 H 1 3.867 0.020 . 1 . . . . 3 SER QB . 16111 1 15 . 1 1 3 3 SER HB3 H 1 3.867 0.020 . 1 . . . . 3 SER QB . 16111 1 16 . 1 1 3 3 SER CA C 13 58.019 0.300 . 1 . . . . 3 SER CA . 16111 1 17 . 1 1 3 3 SER CB C 13 63.109 0.300 . 1 . . . . 3 SER CB . 16111 1 18 . 1 1 3 3 SER N N 15 115.830 0.300 . 1 . . . . 3 SER N . 16111 1 19 . 1 1 4 4 LYS H H 1 8.502 0.020 . 1 . . . . 4 LYS H . 16111 1 20 . 1 1 4 4 LYS HA H 1 4.420 0.020 . 1 . . . . 4 LYS HA . 16111 1 21 . 1 1 4 4 LYS HB2 H 1 1.855 0.020 . 2 . . . . 4 LYS HB2 . 16111 1 22 . 1 1 4 4 LYS HB3 H 1 1.768 0.020 . 2 . . . . 4 LYS HB3 . 16111 1 23 . 1 1 4 4 LYS HD2 H 1 1.704 0.020 . 1 . . . . 4 LYS QD . 16111 1 24 . 1 1 4 4 LYS HD3 H 1 1.704 0.020 . 1 . . . . 4 LYS QD . 16111 1 25 . 1 1 4 4 LYS HE2 H 1 3.055 0.020 . 1 . . . . 4 LYS QE . 16111 1 26 . 1 1 4 4 LYS HE3 H 1 3.055 0.020 . 1 . . . . 4 LYS QE . 16111 1 27 . 1 1 4 4 LYS HG2 H 1 1.509 0.020 . 2 . . . . 4 LYS HG2 . 16111 1 28 . 1 1 4 4 LYS HG3 H 1 1.459 0.020 . 2 . . . . 4 LYS HG3 . 16111 1 29 . 1 1 4 4 LYS CA C 13 56.241 0.300 . 1 . . . . 4 LYS CA . 16111 1 30 . 1 1 4 4 LYS CB C 13 33.477 0.300 . 1 . . . . 4 LYS CB . 16111 1 31 . 1 1 4 4 LYS CD C 13 28.843 0.300 . 1 . . . . 4 LYS CD . 16111 1 32 . 1 1 4 4 LYS CE C 13 41.862 0.300 . 1 . . . . 4 LYS CE . 16111 1 33 . 1 1 4 4 LYS CG C 13 24.679 0.300 . 1 . . . . 4 LYS CG . 16111 1 34 . 1 1 4 4 LYS N N 15 123.773 0.300 . 1 . . . . 4 LYS N . 16111 1 35 . 1 1 5 5 LEU H H 1 8.494 0.020 . 1 . . . . 5 LEU H . 16111 1 36 . 1 1 5 5 LEU HA H 1 5.089 0.020 . 1 . . . . 5 LEU HA . 16111 1 37 . 1 1 5 5 LEU HB2 H 1 1.834 0.020 . 2 . . . . 5 LEU HB2 . 16111 1 38 . 1 1 5 5 LEU HB3 H 1 1.482 0.020 . 2 . . . . 5 LEU HB3 . 16111 1 39 . 1 1 5 5 LEU HD11 H 1 0.819 0.020 . 2 . . . . 5 LEU QD1 . 16111 1 40 . 1 1 5 5 LEU HD12 H 1 0.819 0.020 . 2 . . . . 5 LEU QD1 . 16111 1 41 . 1 1 5 5 LEU HD13 H 1 0.819 0.020 . 2 . . . . 5 LEU QD1 . 16111 1 42 . 1 1 5 5 LEU HD21 H 1 0.855 0.020 . 2 . . . . 5 LEU QD2 . 16111 1 43 . 1 1 5 5 LEU HD22 H 1 0.855 0.020 . 2 . . . . 5 LEU QD2 . 16111 1 44 . 1 1 5 5 LEU HD23 H 1 0.855 0.020 . 2 . . . . 5 LEU QD2 . 16111 1 45 . 1 1 5 5 LEU HG H 1 1.719 0.020 . 1 . . . . 5 LEU HG . 16111 1 46 . 1 1 5 5 LEU CA C 13 53.980 0.300 . 1 . . . . 5 LEU CA . 16111 1 47 . 1 1 5 5 LEU CB C 13 44.033 0.300 . 1 . . . . 5 LEU CB . 16111 1 48 . 1 1 5 5 LEU CD1 C 13 25.653 0.300 . 1 . . . . 5 LEU CD1 . 16111 1 49 . 1 1 5 5 LEU CD2 C 13 25.653 0.300 . 1 . . . . 5 LEU CD2 . 16111 1 50 . 1 1 5 5 LEU CG C 13 28.781 0.300 . 1 . . . . 5 LEU CG . 16111 1 51 . 1 1 5 5 LEU N N 15 122.895 0.300 . 1 . . . . 5 LEU N . 16111 1 52 . 1 1 6 6 CYS H H 1 9.662 0.020 . 1 . . . . 6 CYS H . 16111 1 53 . 1 1 6 6 CYS HA H 1 5.174 0.020 . 1 . . . . 6 CYS HA . 16111 1 54 . 1 1 6 6 CYS HB2 H 1 2.980 0.020 . 2 . . . . 6 CYS HB2 . 16111 1 55 . 1 1 6 6 CYS HB3 H 1 2.801 0.020 . 2 . . . . 6 CYS HB3 . 16111 1 56 . 1 1 6 6 CYS CA C 13 59.357 0.300 . 1 . . . . 6 CYS CA . 16111 1 57 . 1 1 6 6 CYS CB C 13 40.925 0.300 . 1 . . . . 6 CYS CB . 16111 1 58 . 1 1 6 6 CYS N N 15 121.953 0.300 . 1 . . . . 6 CYS N . 16111 1 59 . 1 1 7 7 GLU H H 1 9.268 0.020 . 1 . . . . 7 GLU H . 16111 1 60 . 1 1 7 7 GLU HA H 1 4.781 0.020 . 1 . . . . 7 GLU HA . 16111 1 61 . 1 1 7 7 GLU HB2 H 1 1.936 0.020 . 2 . . . . 7 GLU HB2 . 16111 1 62 . 1 1 7 7 GLU HB3 H 1 1.784 0.020 . 2 . . . . 7 GLU HB3 . 16111 1 63 . 1 1 7 7 GLU HG2 H 1 2.852 0.020 . 2 . . . . 7 GLU HG2 . 16111 1 64 . 1 1 7 7 GLU HG3 H 1 2.650 0.020 . 2 . . . . 7 GLU HG3 . 16111 1 65 . 1 1 7 7 GLU CA C 13 54.955 0.300 . 1 . . . . 7 GLU CA . 16111 1 66 . 1 1 7 7 GLU CB C 13 33.438 0.300 . 1 . . . . 7 GLU CB . 16111 1 67 . 1 1 7 7 GLU CG C 13 40.946 0.300 . 1 . . . . 7 GLU CG . 16111 1 68 . 1 1 7 7 GLU N N 15 124.996 0.300 . 1 . . . . 7 GLU N . 16111 1 69 . 1 1 8 8 LYS H H 1 9.129 0.020 . 1 . . . . 8 LYS H . 16111 1 70 . 1 1 8 8 LYS HA H 1 4.809 0.020 . 1 . . . . 8 LYS HA . 16111 1 71 . 1 1 8 8 LYS HB2 H 1 1.980 0.020 . 2 . . . . 8 LYS HB2 . 16111 1 72 . 1 1 8 8 LYS HB3 H 1 1.702 0.020 . 2 . . . . 8 LYS HB3 . 16111 1 73 . 1 1 8 8 LYS HD2 H 1 1.556 0.020 . 1 . . . . 8 LYS QD . 16111 1 74 . 1 1 8 8 LYS HD3 H 1 1.556 0.020 . 1 . . . . 8 LYS QD . 16111 1 75 . 1 1 8 8 LYS HE2 H 1 3.265 0.020 . 1 . . . . 8 LYS QE . 16111 1 76 . 1 1 8 8 LYS HE3 H 1 3.265 0.020 . 1 . . . . 8 LYS QE . 16111 1 77 . 1 1 8 8 LYS HG2 H 1 1.471 0.020 . 1 . . . . 8 LYS QG . 16111 1 78 . 1 1 8 8 LYS HG3 H 1 1.471 0.020 . 1 . . . . 8 LYS QG . 16111 1 79 . 1 1 8 8 LYS CA C 13 54.795 0.300 . 1 . . . . 8 LYS CA . 16111 1 80 . 1 1 8 8 LYS CB C 13 36.867 0.300 . 1 . . . . 8 LYS CB . 16111 1 81 . 1 1 8 8 LYS CD C 13 28.902 0.300 . 1 . . . . 8 LYS CD . 16111 1 82 . 1 1 8 8 LYS CE C 13 43.057 0.300 . 1 . . . . 8 LYS CE . 16111 1 83 . 1 1 8 8 LYS CG C 13 24.456 0.300 . 1 . . . . 8 LYS CG . 16111 1 84 . 1 1 8 8 LYS N N 15 124.794 0.300 . 1 . . . . 8 LYS N . 16111 1 85 . 1 1 9 9 THR H H 1 8.824 0.020 . 1 . . . . 9 THR H . 16111 1 86 . 1 1 9 9 THR HA H 1 3.596 0.020 . 1 . . . . 9 THR HA . 16111 1 87 . 1 1 9 9 THR HB H 1 3.883 0.020 . 1 . . . . 9 THR HB . 16111 1 88 . 1 1 9 9 THR HG21 H 1 1.068 0.020 . 1 . . . . 9 THR QG2 . 16111 1 89 . 1 1 9 9 THR HG22 H 1 1.068 0.020 . 1 . . . . 9 THR QG2 . 16111 1 90 . 1 1 9 9 THR HG23 H 1 1.068 0.020 . 1 . . . . 9 THR QG2 . 16111 1 91 . 1 1 9 9 THR CA C 13 63.908 0.300 . 1 . . . . 9 THR CA . 16111 1 92 . 1 1 9 9 THR CB C 13 68.403 0.300 . 1 . . . . 9 THR CB . 16111 1 93 . 1 1 9 9 THR CG2 C 13 21.254 0.300 . 1 . . . . 9 THR CG2 . 16111 1 94 . 1 1 9 9 THR N N 15 120.055 0.300 . 1 . . . . 9 THR N . 16111 1 95 . 1 1 10 10 SER H H 1 8.595 0.020 . 1 . . . . 10 SER H . 16111 1 96 . 1 1 10 10 SER HA H 1 4.602 0.020 . 1 . . . . 10 SER HA . 16111 1 97 . 1 1 10 10 SER HB2 H 1 3.954 0.020 . 2 . . . . 10 SER HB2 . 16111 1 98 . 1 1 10 10 SER HB3 H 1 3.463 0.020 . 2 . . . . 10 SER HB3 . 16111 1 99 . 1 1 10 10 SER CA C 13 58.399 0.300 . 1 . . . . 10 SER CA . 16111 1 100 . 1 1 10 10 SER CB C 13 63.742 0.300 . 1 . . . . 10 SER CB . 16111 1 101 . 1 1 10 10 SER N N 15 120.150 0.300 . 1 . . . . 10 SER N . 16111 1 102 . 1 1 11 11 LYS H H 1 10.138 0.020 . 1 . . . . 11 LYS H . 16111 1 103 . 1 1 11 11 LYS HA H 1 4.380 0.020 . 1 . . . . 11 LYS HA . 16111 1 104 . 1 1 11 11 LYS HB2 H 1 1.722 0.020 . 2 . . . . 11 LYS HB2 . 16111 1 105 . 1 1 11 11 LYS HB3 H 1 1.765 0.020 . 2 . . . . 11 LYS HB3 . 16111 1 106 . 1 1 11 11 LYS HD2 H 1 1.620 0.020 . 2 . . . . 11 LYS HD2 . 16111 1 107 . 1 1 11 11 LYS HD3 H 1 1.524 0.020 . 2 . . . . 11 LYS HD3 . 16111 1 108 . 1 1 11 11 LYS HE2 H 1 2.980 0.020 . 1 . . . . 11 LYS QE . 16111 1 109 . 1 1 11 11 LYS HE3 H 1 2.980 0.020 . 1 . . . . 11 LYS QE . 16111 1 110 . 1 1 11 11 LYS HG2 H 1 1.479 0.020 . 1 . . . . 11 LYS QG . 16111 1 111 . 1 1 11 11 LYS HG3 H 1 1.479 0.020 . 1 . . . . 11 LYS QG . 16111 1 112 . 1 1 11 11 LYS CA C 13 56.958 0.300 . 1 . . . . 11 LYS CA . 16111 1 113 . 1 1 11 11 LYS CB C 13 33.126 0.300 . 1 . . . . 11 LYS CB . 16111 1 114 . 1 1 11 11 LYS CD C 13 24.686 0.300 . 1 . . . . 11 LYS CD . 16111 1 115 . 1 1 11 11 LYS CE C 13 41.909 0.300 . 1 . . . . 11 LYS CE . 16111 1 116 . 1 1 11 11 LYS CG C 13 24.666 0.300 . 1 . . . . 11 LYS CG . 16111 1 117 . 1 1 11 11 LYS N N 15 130.957 0.300 . 1 . . . . 11 LYS N . 16111 1 118 . 1 1 12 12 THR H H 1 8.367 0.020 . 1 . . . . 12 THR H . 16111 1 119 . 1 1 12 12 THR HA H 1 4.353 0.020 . 1 . . . . 12 THR HA . 16111 1 120 . 1 1 12 12 THR HB H 1 3.997 0.020 . 1 . . . . 12 THR HB . 16111 1 121 . 1 1 12 12 THR HG21 H 1 1.151 0.020 . 1 . . . . 12 THR QG2 . 16111 1 122 . 1 1 12 12 THR HG22 H 1 1.151 0.020 . 1 . . . . 12 THR QG2 . 16111 1 123 . 1 1 12 12 THR HG23 H 1 1.151 0.020 . 1 . . . . 12 THR QG2 . 16111 1 124 . 1 1 12 12 THR CA C 13 62.494 0.300 . 1 . . . . 12 THR CA . 16111 1 125 . 1 1 12 12 THR CB C 13 70.099 0.300 . 1 . . . . 12 THR CB . 16111 1 126 . 1 1 12 12 THR CG2 C 13 22.003 0.300 . 1 . . . . 12 THR CG2 . 16111 1 127 . 1 1 12 12 THR N N 15 108.146 0.300 . 1 . . . . 12 THR N . 16111 1 128 . 1 1 13 13 TYR H H 1 8.104 0.020 . 1 . . . . 13 TYR H . 16111 1 129 . 1 1 13 13 TYR HA H 1 3.782 0.020 . 1 . . . . 13 TYR HA . 16111 1 130 . 1 1 13 13 TYR HB2 H 1 2.998 0.020 . 2 . . . . 13 TYR HB2 . 16111 1 131 . 1 1 13 13 TYR HB3 H 1 2.803 0.020 . 2 . . . . 13 TYR HB3 . 16111 1 132 . 1 1 13 13 TYR HD1 H 1 6.848 0.020 . 1 . . . . 13 TYR QD . 16111 1 133 . 1 1 13 13 TYR HD2 H 1 6.848 0.020 . 1 . . . . 13 TYR QD . 16111 1 134 . 1 1 13 13 TYR HE1 H 1 6.390 0.020 . 1 . . . . 13 TYR QE . 16111 1 135 . 1 1 13 13 TYR HE2 H 1 6.390 0.020 . 1 . . . . 13 TYR QE . 16111 1 136 . 1 1 13 13 TYR CA C 13 60.140 0.300 . 1 . . . . 13 TYR CA . 16111 1 137 . 1 1 13 13 TYR CB C 13 38.305 0.300 . 1 . . . . 13 TYR CB . 16111 1 138 . 1 1 13 13 TYR CD1 C 13 131.058 0.300 . 1 . . . . 13 TYR CD1 . 16111 1 139 . 1 1 13 13 TYR N N 15 125.623 0.300 . 1 . . . . 13 TYR N . 16111 1 140 . 1 1 14 14 SER H H 1 7.451 0.020 . 1 . . . . 14 SER H . 16111 1 141 . 1 1 14 14 SER HA H 1 4.671 0.020 . 1 . . . . 14 SER HA . 16111 1 142 . 1 1 14 14 SER HB2 H 1 3.573 0.020 . 2 . . . . 14 SER HB2 . 16111 1 143 . 1 1 14 14 SER HB3 H 1 3.628 0.020 . 2 . . . . 14 SER HB3 . 16111 1 144 . 1 1 14 14 SER CA C 13 56.830 0.300 . 1 . . . . 14 SER CA . 16111 1 145 . 1 1 14 14 SER CB C 13 65.287 0.300 . 1 . . . . 14 SER CB . 16111 1 146 . 1 1 14 14 SER N N 15 122.438 0.300 . 1 . . . . 14 SER N . 16111 1 147 . 1 1 15 15 GLY H H 1 8.427 0.020 . 1 . . . . 15 GLY H . 16111 1 148 . 1 1 15 15 GLY HA2 H 1 4.197 0.020 . 2 . . . . 15 GLY HA2 . 16111 1 149 . 1 1 15 15 GLY HA3 H 1 3.716 0.020 . 2 . . . . 15 GLY HA3 . 16111 1 150 . 1 1 15 15 GLY CA C 13 43.379 0.300 . 1 . . . . 15 GLY CA . 16111 1 151 . 1 1 15 15 GLY N N 15 109.819 0.300 . 1 . . . . 15 GLY N . 16111 1 152 . 1 1 16 16 LYS H H 1 8.446 0.020 . 1 . . . . 16 LYS H . 16111 1 153 . 1 1 16 16 LYS HA H 1 4.155 0.020 . 1 . . . . 16 LYS HA . 16111 1 154 . 1 1 16 16 LYS HB2 H 1 1.814 0.020 . 2 . . . . 16 LYS HB2 . 16111 1 155 . 1 1 16 16 LYS HB3 H 1 1.750 0.020 . 2 . . . . 16 LYS HB3 . 16111 1 156 . 1 1 16 16 LYS HE2 H 1 3.053 0.020 . 1 . . . . 16 LYS QE . 16111 1 157 . 1 1 16 16 LYS HE3 H 1 3.053 0.020 . 1 . . . . 16 LYS QE . 16111 1 158 . 1 1 16 16 LYS HG2 H 1 1.489 0.020 . 2 . . . . 16 LYS HG2 . 16111 1 159 . 1 1 16 16 LYS HG3 H 1 1.388 0.020 . 2 . . . . 16 LYS HG3 . 16111 1 160 . 1 1 16 16 LYS CA C 13 56.911 0.300 . 1 . . . . 16 LYS CA . 16111 1 161 . 1 1 16 16 LYS CB C 13 32.077 0.300 . 1 . . . . 16 LYS CB . 16111 1 162 . 1 1 16 16 LYS CE C 13 41.854 0.300 . 1 . . . . 16 LYS CE . 16111 1 163 . 1 1 16 16 LYS CG C 13 24.644 0.300 . 1 . . . . 16 LYS CG . 16111 1 164 . 1 1 16 16 LYS N N 15 120.128 0.300 . 1 . . . . 16 LYS N . 16111 1 165 . 1 1 17 17 CYS HA H 1 4.060 0.020 . 1 . . . . 17 CYS HA . 16111 1 166 . 1 1 17 17 CYS HB2 H 1 2.850 0.020 . 2 . . . . 17 CYS HB2 . 16111 1 167 . 1 1 17 17 CYS HB3 H 1 2.710 0.020 . 2 . . . . 17 CYS HB3 . 16111 1 168 . 1 1 17 17 CYS CA C 13 62.022 0.300 . 1 . . . . 17 CYS CA . 16111 1 169 . 1 1 17 17 CYS CB C 13 39.436 0.300 . 1 . . . . 17 CYS CB . 16111 1 170 . 1 1 18 18 ASP H H 1 7.400 0.020 . 1 . . . . 18 ASP H . 16111 1 171 . 1 1 18 18 ASP HA H 1 4.926 0.020 . 1 . . . . 18 ASP HA . 16111 1 172 . 1 1 18 18 ASP HB2 H 1 2.726 0.020 . 2 . . . . 18 ASP HB2 . 16111 1 173 . 1 1 18 18 ASP HB3 H 1 2.597 0.020 . 2 . . . . 18 ASP HB3 . 16111 1 174 . 1 1 18 18 ASP CA C 13 52.678 0.300 . 1 . . . . 18 ASP CA . 16111 1 175 . 1 1 18 18 ASP CB C 13 45.472 0.300 . 1 . . . . 18 ASP CB . 16111 1 176 . 1 1 18 18 ASP N N 15 131.327 0.300 . 1 . . . . 18 ASP N . 16111 1 177 . 1 1 19 19 ASN H H 1 9.396 0.020 . 1 . . . . 19 ASN H . 16111 1 178 . 1 1 19 19 ASN HA H 1 4.253 0.020 . 1 . . . . 19 ASN HA . 16111 1 179 . 1 1 19 19 ASN HB2 H 1 2.869 0.020 . 2 . . . . 19 ASN HB2 . 16111 1 180 . 1 1 19 19 ASN HB3 H 1 2.787 0.020 . 2 . . . . 19 ASN HB3 . 16111 1 181 . 1 1 19 19 ASN HD21 H 1 7.561 0.020 . 2 . . . . 19 ASN HD21 . 16111 1 182 . 1 1 19 19 ASN HD22 H 1 7.077 0.020 . 2 . . . . 19 ASN HD22 . 16111 1 183 . 1 1 19 19 ASN CA C 13 57.973 0.300 . 1 . . . . 19 ASN CA . 16111 1 184 . 1 1 19 19 ASN CB C 13 38.280 0.300 . 1 . . . . 19 ASN CB . 16111 1 185 . 1 1 19 19 ASN N N 15 127.621 0.300 . 1 . . . . 19 ASN N . 16111 1 186 . 1 1 19 19 ASN ND2 N 15 113.016 0.300 . 1 . . . . 19 ASN ND2 . 16111 1 187 . 1 1 20 20 LYS H H 1 8.235 0.020 . 1 . . . . 20 LYS H . 16111 1 188 . 1 1 20 20 LYS HA H 1 4.224 0.020 . 1 . . . . 20 LYS HA . 16111 1 189 . 1 1 20 20 LYS HB2 H 1 1.988 0.020 . 2 . . . . 20 LYS HB2 . 16111 1 190 . 1 1 20 20 LYS HB3 H 1 1.917 0.020 . 2 . . . . 20 LYS HB3 . 16111 1 191 . 1 1 20 20 LYS HD2 H 1 1.780 0.020 . 1 . . . . 20 LYS QD . 16111 1 192 . 1 1 20 20 LYS HD3 H 1 1.780 0.020 . 1 . . . . 20 LYS QD . 16111 1 193 . 1 1 20 20 LYS HE2 H 1 2.820 0.020 . 2 . . . . 20 LYS HE2 . 16111 1 194 . 1 1 20 20 LYS HE3 H 1 2.455 0.020 . 2 . . . . 20 LYS HE3 . 16111 1 195 . 1 1 20 20 LYS HG2 H 1 1.630 0.020 . 2 . . . . 20 LYS HG2 . 16111 1 196 . 1 1 20 20 LYS HG3 H 1 1.495 0.020 . 2 . . . . 20 LYS HG3 . 16111 1 197 . 1 1 20 20 LYS CA C 13 59.362 0.300 . 1 . . . . 20 LYS CA . 16111 1 198 . 1 1 20 20 LYS CB C 13 31.743 0.300 . 1 . . . . 20 LYS CB . 16111 1 199 . 1 1 20 20 LYS CD C 13 28.956 0.300 . 1 . . . . 20 LYS CD . 16111 1 200 . 1 1 20 20 LYS CE C 13 42.150 0.300 . 1 . . . . 20 LYS CE . 16111 1 201 . 1 1 20 20 LYS CG C 13 24.991 0.300 . 1 . . . . 20 LYS CG . 16111 1 202 . 1 1 20 20 LYS N N 15 119.126 0.300 . 1 . . . . 20 LYS N . 16111 1 203 . 1 1 21 21 LYS H H 1 8.386 0.020 . 1 . . . . 21 LYS H . 16111 1 204 . 1 1 21 21 LYS HA H 1 4.111 0.020 . 1 . . . . 21 LYS HA . 16111 1 205 . 1 1 21 21 LYS HB2 H 1 2.192 0.020 . 2 . . . . 21 LYS HB2 . 16111 1 206 . 1 1 21 21 LYS HB3 H 1 2.152 0.020 . 2 . . . . 21 LYS HB3 . 16111 1 207 . 1 1 21 21 LYS HD2 H 1 1.826 0.020 . 1 . . . . 21 LYS QD . 16111 1 208 . 1 1 21 21 LYS HD3 H 1 1.826 0.020 . 1 . . . . 21 LYS QD . 16111 1 209 . 1 1 21 21 LYS HE2 H 1 3.001 0.020 . 1 . . . . 21 LYS QE . 16111 1 210 . 1 1 21 21 LYS HE3 H 1 3.001 0.020 . 1 . . . . 21 LYS QE . 16111 1 211 . 1 1 21 21 LYS HG2 H 1 1.734 0.020 . 2 . . . . 21 LYS HG2 . 16111 1 212 . 1 1 21 21 LYS HG3 H 1 1.518 0.020 . 2 . . . . 21 LYS HG3 . 16111 1 213 . 1 1 21 21 LYS CA C 13 59.657 0.300 . 1 . . . . 21 LYS CA . 16111 1 214 . 1 1 21 21 LYS CB C 13 33.192 0.300 . 1 . . . . 21 LYS CB . 16111 1 215 . 1 1 21 21 LYS CD C 13 29.048 0.300 . 1 . . . . 21 LYS CD . 16111 1 216 . 1 1 21 21 LYS CE C 13 41.896 0.300 . 1 . . . . 21 LYS CE . 16111 1 217 . 1 1 21 21 LYS CG C 13 25.929 0.300 . 1 . . . . 21 LYS CG . 16111 1 218 . 1 1 21 21 LYS N N 15 120.331 0.300 . 1 . . . . 21 LYS N . 16111 1 219 . 1 1 22 22 CYS H H 1 8.986 0.020 . 1 . . . . 22 CYS H . 16111 1 220 . 1 1 22 22 CYS HA H 1 4.340 0.020 . 1 . . . . 22 CYS HA . 16111 1 221 . 1 1 22 22 CYS HB2 H 1 2.554 0.020 . 1 . . . . 22 CYS QB . 16111 1 222 . 1 1 22 22 CYS HB3 H 1 2.554 0.020 . 1 . . . . 22 CYS QB . 16111 1 223 . 1 1 22 22 CYS CA C 13 57.827 0.300 . 1 . . . . 22 CYS CA . 16111 1 224 . 1 1 22 22 CYS CB C 13 35.944 0.300 . 1 . . . . 22 CYS CB . 16111 1 225 . 1 1 22 22 CYS N N 15 119.700 0.300 . 1 . . . . 22 CYS N . 16111 1 226 . 1 1 23 23 ASP H H 1 8.259 0.020 . 1 . . . . 23 ASP H . 16111 1 227 . 1 1 23 23 ASP HA H 1 4.024 0.020 . 1 . . . . 23 ASP HA . 16111 1 228 . 1 1 23 23 ASP HB2 H 1 3.100 0.020 . 2 . . . . 23 ASP HB2 . 16111 1 229 . 1 1 23 23 ASP HB3 H 1 2.756 0.020 . 2 . . . . 23 ASP HB3 . 16111 1 230 . 1 1 23 23 ASP CA C 13 58.126 0.300 . 1 . . . . 23 ASP CA . 16111 1 231 . 1 1 23 23 ASP CB C 13 42.484 0.300 . 1 . . . . 23 ASP CB . 16111 1 232 . 1 1 23 23 ASP N N 15 119.955 0.300 . 1 . . . . 23 ASP N . 16111 1 233 . 1 1 24 24 LYS H H 1 7.734 0.020 . 1 . . . . 24 LYS H . 16111 1 234 . 1 1 24 24 LYS HA H 1 3.993 0.020 . 1 . . . . 24 LYS HA . 16111 1 235 . 1 1 24 24 LYS HB2 H 1 1.985 0.020 . 2 . . . . 24 LYS HB2 . 16111 1 236 . 1 1 24 24 LYS HB3 H 1 1.902 0.020 . 2 . . . . 24 LYS HB3 . 16111 1 237 . 1 1 24 24 LYS HD2 H 1 1.711 0.020 . 1 . . . . 24 LYS QD . 16111 1 238 . 1 1 24 24 LYS HD3 H 1 1.711 0.020 . 1 . . . . 24 LYS QD . 16111 1 239 . 1 1 24 24 LYS HE2 H 1 2.760 0.020 . 2 . . . . 24 LYS HE2 . 16111 1 240 . 1 1 24 24 LYS HE3 H 1 3.121 0.020 . 2 . . . . 24 LYS HE3 . 16111 1 241 . 1 1 24 24 LYS HG2 H 1 1.584 0.020 . 2 . . . . 24 LYS HG2 . 16111 1 242 . 1 1 24 24 LYS HG3 H 1 1.466 0.020 . 2 . . . . 24 LYS HG3 . 16111 1 243 . 1 1 24 24 LYS CA C 13 59.357 0.300 . 1 . . . . 24 LYS CA . 16111 1 244 . 1 1 24 24 LYS CB C 13 32.798 0.300 . 1 . . . . 24 LYS CB . 16111 1 245 . 1 1 24 24 LYS CD C 13 29.146 0.300 . 1 . . . . 24 LYS CD . 16111 1 246 . 1 1 24 24 LYS CE C 13 41.861 0.300 . 1 . . . . 24 LYS CE . 16111 1 247 . 1 1 24 24 LYS CG C 13 24.678 0.300 . 1 . . . . 24 LYS CG . 16111 1 248 . 1 1 24 24 LYS N N 15 115.067 0.300 . 1 . . . . 24 LYS N . 16111 1 249 . 1 1 25 25 LYS H H 1 8.236 0.020 . 1 . . . . 25 LYS H . 16111 1 250 . 1 1 25 25 LYS HA H 1 4.157 0.020 . 1 . . . . 25 LYS HA . 16111 1 251 . 1 1 25 25 LYS HB2 H 1 2.148 0.020 . 2 . . . . 25 LYS HB2 . 16111 1 252 . 1 1 25 25 LYS HB3 H 1 1.977 0.020 . 2 . . . . 25 LYS HB3 . 16111 1 253 . 1 1 25 25 LYS HG2 H 1 1.382 0.020 . 2 . . . . 25 LYS HG2 . 16111 1 254 . 1 1 25 25 LYS HG3 H 1 1.279 0.020 . 2 . . . . 25 LYS HG3 . 16111 1 255 . 1 1 25 25 LYS CA C 13 59.357 0.300 . 1 . . . . 25 LYS CA . 16111 1 256 . 1 1 25 25 LYS CB C 13 31.865 0.300 . 1 . . . . 25 LYS CB . 16111 1 257 . 1 1 25 25 LYS CG C 13 24.842 0.300 . 1 . . . . 25 LYS CG . 16111 1 258 . 1 1 25 25 LYS N N 15 119.134 0.300 . 1 . . . . 25 LYS N . 16111 1 259 . 1 1 26 26 CYS H H 1 8.704 0.020 . 1 . . . . 26 CYS H . 16111 1 260 . 1 1 26 26 CYS HA H 1 4.198 0.020 . 1 . . . . 26 CYS HA . 16111 1 261 . 1 1 26 26 CYS HB2 H 1 2.819 0.020 . 2 . . . . 26 CYS HB2 . 16111 1 262 . 1 1 26 26 CYS HB3 H 1 2.444 0.020 . 2 . . . . 26 CYS HB3 . 16111 1 263 . 1 1 26 26 CYS CA C 13 59.068 0.300 . 1 . . . . 26 CYS CA . 16111 1 264 . 1 1 26 26 CYS CB C 13 36.215 0.300 . 1 . . . . 26 CYS CB . 16111 1 265 . 1 1 26 26 CYS N N 15 116.774 0.300 . 1 . . . . 26 CYS N . 16111 1 266 . 1 1 27 27 ILE H H 1 8.189 0.020 . 1 . . . . 27 ILE H . 16111 1 267 . 1 1 27 27 ILE HA H 1 3.846 0.020 . 1 . . . . 27 ILE HA . 16111 1 268 . 1 1 27 27 ILE HB H 1 1.696 0.020 . 1 . . . . 27 ILE HB . 16111 1 269 . 1 1 27 27 ILE HD11 H 1 0.861 0.020 . 1 . . . . 27 ILE QD1 . 16111 1 270 . 1 1 27 27 ILE HD12 H 1 0.861 0.020 . 1 . . . . 27 ILE QD1 . 16111 1 271 . 1 1 27 27 ILE HD13 H 1 0.861 0.020 . 1 . . . . 27 ILE QD1 . 16111 1 272 . 1 1 27 27 ILE HG12 H 1 1.428 0.020 . 1 . . . . 27 ILE QG1 . 16111 1 273 . 1 1 27 27 ILE HG13 H 1 1.428 0.020 . 1 . . . . 27 ILE QG1 . 16111 1 274 . 1 1 27 27 ILE HG21 H 1 0.695 0.020 . 1 . . . . 27 ILE QG2 . 16111 1 275 . 1 1 27 27 ILE HG22 H 1 0.695 0.020 . 1 . . . . 27 ILE QG2 . 16111 1 276 . 1 1 27 27 ILE HG23 H 1 0.695 0.020 . 1 . . . . 27 ILE QG2 . 16111 1 277 . 1 1 27 27 ILE CA C 13 64.700 0.300 . 1 . . . . 27 ILE CA . 16111 1 278 . 1 1 27 27 ILE CB C 13 39.381 0.300 . 1 . . . . 27 ILE CB . 16111 1 279 . 1 1 27 27 ILE CD1 C 13 16.549 0.300 . 1 . . . . 27 ILE CD1 . 16111 1 280 . 1 1 27 27 ILE CG1 C 13 28.346 0.300 . 1 . . . . 27 ILE CG1 . 16111 1 281 . 1 1 27 27 ILE CG2 C 13 16.550 0.300 . 1 . . . . 27 ILE CG2 . 16111 1 282 . 1 1 27 27 ILE N N 15 120.041 0.300 . 1 . . . . 27 ILE N . 16111 1 283 . 1 1 28 28 GLU H H 1 8.945 0.020 . 1 . . . . 28 GLU H . 16111 1 284 . 1 1 28 28 GLU HA H 1 4.072 0.020 . 1 . . . . 28 GLU HA . 16111 1 285 . 1 1 28 28 GLU HB2 H 1 2.196 0.020 . 2 . . . . 28 GLU HB2 . 16111 1 286 . 1 1 28 28 GLU HB3 H 1 1.876 0.020 . 2 . . . . 28 GLU HB3 . 16111 1 287 . 1 1 28 28 GLU HG2 H 1 2.475 0.020 . 2 . . . . 28 GLU HG2 . 16111 1 288 . 1 1 28 28 GLU HG3 H 1 2.098 0.020 . 2 . . . . 28 GLU HG3 . 16111 1 289 . 1 1 28 28 GLU CA C 13 59.064 0.300 . 1 . . . . 28 GLU CA . 16111 1 290 . 1 1 28 28 GLU CB C 13 29.712 0.300 . 1 . . . . 28 GLU CB . 16111 1 291 . 1 1 28 28 GLU CG C 13 36.868 0.300 . 1 . . . . 28 GLU CG . 16111 1 292 . 1 1 28 28 GLU N N 15 117.196 0.300 . 1 . . . . 28 GLU N . 16111 1 293 . 1 1 29 29 TRP H H 1 8.809 0.020 . 1 . . . . 29 TRP H . 16111 1 294 . 1 1 29 29 TRP HA H 1 4.867 0.020 . 1 . . . . 29 TRP HA . 16111 1 295 . 1 1 29 29 TRP HB2 H 1 3.666 0.020 . 2 . . . . 29 TRP HB2 . 16111 1 296 . 1 1 29 29 TRP HB3 H 1 3.394 0.020 . 2 . . . . 29 TRP HB3 . 16111 1 297 . 1 1 29 29 TRP HD1 H 1 7.363 0.020 . 1 . . . . 29 TRP HD1 . 16111 1 298 . 1 1 29 29 TRP HE1 H 1 10.209 0.020 . 1 . . . . 29 TRP HE1 . 16111 1 299 . 1 1 29 29 TRP HE3 H 1 7.802 0.020 . 1 . . . . 29 TRP HE3 . 16111 1 300 . 1 1 29 29 TRP HH2 H 1 7.273 0.020 . 1 . . . . 29 TRP HH2 . 16111 1 301 . 1 1 29 29 TRP HZ2 H 1 7.547 0.020 . 1 . . . . 29 TRP HZ2 . 16111 1 302 . 1 1 29 29 TRP HZ3 H 1 7.206 0.020 . 1 . . . . 29 TRP HZ3 . 16111 1 303 . 1 1 29 29 TRP CA C 13 58.107 0.300 . 1 . . . . 29 TRP CA . 16111 1 304 . 1 1 29 29 TRP CB C 13 29.956 0.300 . 1 . . . . 29 TRP CB . 16111 1 305 . 1 1 29 29 TRP CD1 C 13 125.941 0.300 . 1 . . . . 29 TRP CD1 . 16111 1 306 . 1 1 29 29 TRP CE3 C 13 120.778 0.300 . 1 . . . . 29 TRP CE3 . 16111 1 307 . 1 1 29 29 TRP CH2 C 13 124.883 0.300 . 1 . . . . 29 TRP CH2 . 16111 1 308 . 1 1 29 29 TRP CZ2 C 13 114.650 0.300 . 1 . . . . 29 TRP CZ2 . 16111 1 309 . 1 1 29 29 TRP CZ3 C 13 122.014 0.300 . 1 . . . . 29 TRP CZ3 . 16111 1 310 . 1 1 29 29 TRP N N 15 115.707 0.300 . 1 . . . . 29 TRP N . 16111 1 311 . 1 1 29 29 TRP NE1 N 15 129.065 0.300 . 1 . . . . 29 TRP NE1 . 16111 1 312 . 1 1 30 30 GLU H H 1 7.260 0.020 . 1 . . . . 30 GLU H . 16111 1 313 . 1 1 30 30 GLU HA H 1 4.834 0.020 . 1 . . . . 30 GLU HA . 16111 1 314 . 1 1 30 30 GLU HB2 H 1 2.776 0.020 . 2 . . . . 30 GLU HB2 . 16111 1 315 . 1 1 30 30 GLU HB3 H 1 2.611 0.020 . 2 . . . . 30 GLU HB3 . 16111 1 316 . 1 1 30 30 GLU HG2 H 1 2.460 0.020 . 2 . . . . 30 GLU HG2 . 16111 1 317 . 1 1 30 30 GLU HG3 H 1 2.322 0.020 . 2 . . . . 30 GLU HG3 . 16111 1 318 . 1 1 30 30 GLU CA C 13 55.852 0.300 . 1 . . . . 30 GLU CA . 16111 1 319 . 1 1 30 30 GLU CB C 13 29.684 0.300 . 1 . . . . 30 GLU CB . 16111 1 320 . 1 1 30 30 GLU CG C 13 38.739 0.300 . 1 . . . . 30 GLU CG . 16111 1 321 . 1 1 30 30 GLU N N 15 116.368 0.300 . 1 . . . . 30 GLU N . 16111 1 322 . 1 1 31 31 LYS H H 1 7.567 0.020 . 1 . . . . 31 LYS H . 16111 1 323 . 1 1 31 31 LYS HA H 1 4.217 0.020 . 1 . . . . 31 LYS HA . 16111 1 324 . 1 1 31 31 LYS HB2 H 1 2.115 0.020 . 2 . . . . 31 LYS HB2 . 16111 1 325 . 1 1 31 31 LYS HB3 H 1 2.077 0.020 . 2 . . . . 31 LYS HB3 . 16111 1 326 . 1 1 31 31 LYS HD2 H 1 2.140 0.020 . 2 . . . . 31 LYS HD2 . 16111 1 327 . 1 1 31 31 LYS HD3 H 1 2.230 0.020 . 2 . . . . 31 LYS HD3 . 16111 1 328 . 1 1 31 31 LYS HE2 H 1 3.053 0.020 . 1 . . . . 31 LYS QE . 16111 1 329 . 1 1 31 31 LYS HE3 H 1 3.053 0.020 . 1 . . . . 31 LYS QE . 16111 1 330 . 1 1 31 31 LYS HG2 H 1 1.450 0.020 . 2 . . . . 31 LYS HG2 . 16111 1 331 . 1 1 31 31 LYS HG3 H 1 1.390 0.020 . 2 . . . . 31 LYS HG3 . 16111 1 332 . 1 1 31 31 LYS CA C 13 56.866 0.300 . 1 . . . . 31 LYS CA . 16111 1 333 . 1 1 31 31 LYS CB C 13 28.163 0.300 . 1 . . . . 31 LYS CB . 16111 1 334 . 1 1 31 31 LYS CD C 13 28.266 0.300 . 1 . . . . 31 LYS CD . 16111 1 335 . 1 1 31 31 LYS CE C 13 41.865 0.300 . 1 . . . . 31 LYS CE . 16111 1 336 . 1 1 31 31 LYS CG C 13 24.545 0.300 . 1 . . . . 31 LYS CG . 16111 1 337 . 1 1 31 31 LYS N N 15 112.565 0.300 . 1 . . . . 31 LYS N . 16111 1 338 . 1 1 32 32 ALA H H 1 7.986 0.020 . 1 . . . . 32 ALA H . 16111 1 339 . 1 1 32 32 ALA HA H 1 4.137 0.020 . 1 . . . . 32 ALA HA . 16111 1 340 . 1 1 32 32 ALA HB1 H 1 0.681 0.020 . 1 . . . . 32 ALA QB . 16111 1 341 . 1 1 32 32 ALA HB2 H 1 0.681 0.020 . 1 . . . . 32 ALA QB . 16111 1 342 . 1 1 32 32 ALA HB3 H 1 0.681 0.020 . 1 . . . . 32 ALA QB . 16111 1 343 . 1 1 32 32 ALA CA C 13 50.287 0.300 . 1 . . . . 32 ALA CA . 16111 1 344 . 1 1 32 32 ALA CB C 13 20.635 0.300 . 1 . . . . 32 ALA CB . 16111 1 345 . 1 1 32 32 ALA N N 15 120.768 0.300 . 1 . . . . 32 ALA N . 16111 1 346 . 1 1 33 33 GLN H H 1 8.473 0.020 . 1 . . . . 33 GLN H . 16111 1 347 . 1 1 33 33 GLN HA H 1 4.163 0.020 . 1 . . . . 33 GLN HA . 16111 1 348 . 1 1 33 33 GLN HB2 H 1 1.900 0.020 . 2 . . . . 33 GLN HB2 . 16111 1 349 . 1 1 33 33 GLN HB3 H 1 1.797 0.020 . 2 . . . . 33 GLN HB3 . 16111 1 350 . 1 1 33 33 GLN HE21 H 1 7.581 0.020 . 1 . . . . 33 GLN HE21 . 16111 1 351 . 1 1 33 33 GLN HE22 H 1 6.891 0.020 . 1 . . . . 33 GLN HE22 . 16111 1 352 . 1 1 33 33 GLN HG2 H 1 2.409 0.020 . 1 . . . . 33 GLN QG . 16111 1 353 . 1 1 33 33 GLN HG3 H 1 2.409 0.020 . 1 . . . . 33 GLN QG . 16111 1 354 . 1 1 33 33 GLN CA C 13 57.156 0.300 . 1 . . . . 33 GLN CA . 16111 1 355 . 1 1 33 33 GLN CB C 13 29.992 0.300 . 1 . . . . 33 GLN CB . 16111 1 356 . 1 1 33 33 GLN CG C 13 34.358 0.300 . 1 . . . . 33 GLN CG . 16111 1 357 . 1 1 33 33 GLN N N 15 115.050 0.300 . 1 . . . . 33 GLN N . 16111 1 358 . 1 1 33 33 GLN NE2 N 15 111.738 0.300 . 1 . . . . 33 GLN NE2 . 16111 1 359 . 1 1 34 34 HIS H H 1 7.433 0.020 . 1 . . . . 34 HIS H . 16111 1 360 . 1 1 34 34 HIS HA H 1 5.034 0.020 . 1 . . . . 34 HIS HA . 16111 1 361 . 1 1 34 34 HIS HB2 H 1 3.249 0.020 . 1 . . . . 34 HIS HB2 . 16111 1 362 . 1 1 34 34 HIS HB3 H 1 3.070 0.020 . 1 . . . . 34 HIS HB3 . 16111 1 363 . 1 1 34 34 HIS CA C 13 54.382 0.300 . 1 . . . . 34 HIS CA . 16111 1 364 . 1 1 34 34 HIS CB C 13 34.051 0.300 . 1 . . . . 34 HIS CB . 16111 1 365 . 1 1 34 34 HIS N N 15 110.414 0.300 . 1 . . . . 34 HIS N . 16111 1 366 . 1 1 35 35 GLY H H 1 9.976 0.020 . 1 . . . . 35 GLY H . 16111 1 367 . 1 1 35 35 GLY HA2 H 1 4.057 0.020 . 2 . . . . 35 GLY HA2 . 16111 1 368 . 1 1 35 35 GLY HA3 H 1 3.804 0.020 . 2 . . . . 35 GLY HA3 . 16111 1 369 . 1 1 35 35 GLY CA C 13 45.314 0.300 . 1 . . . . 35 GLY CA . 16111 1 370 . 1 1 35 35 GLY N N 15 111.215 0.300 . 1 . . . . 35 GLY N . 16111 1 371 . 1 1 36 36 ALA H H 1 9.492 0.020 . 1 . . . . 36 ALA H . 16111 1 372 . 1 1 36 36 ALA HA H 1 4.381 0.020 . 1 . . . . 36 ALA HA . 16111 1 373 . 1 1 36 36 ALA HB1 H 1 1.367 0.020 . 1 . . . . 36 ALA QB . 16111 1 374 . 1 1 36 36 ALA HB2 H 1 1.367 0.020 . 1 . . . . 36 ALA QB . 16111 1 375 . 1 1 36 36 ALA HB3 H 1 1.367 0.020 . 1 . . . . 36 ALA QB . 16111 1 376 . 1 1 36 36 ALA CA C 13 52.144 0.300 . 1 . . . . 36 ALA CA . 16111 1 377 . 1 1 36 36 ALA CB C 13 23.421 0.300 . 1 . . . . 36 ALA CB . 16111 1 378 . 1 1 36 36 ALA N N 15 122.051 0.300 . 1 . . . . 36 ALA N . 16111 1 379 . 1 1 37 37 CYS H H 1 8.443 0.020 . 1 . . . . 37 CYS H . 16111 1 380 . 1 1 37 37 CYS HA H 1 5.366 0.020 . 1 . . . . 37 CYS HA . 16111 1 381 . 1 1 37 37 CYS HB2 H 1 2.823 0.020 . 2 . . . . 37 CYS HB2 . 16111 1 382 . 1 1 37 37 CYS HB3 H 1 2.766 0.020 . 2 . . . . 37 CYS HB3 . 16111 1 383 . 1 1 37 37 CYS CA C 13 53.836 0.300 . 1 . . . . 37 CYS CA . 16111 1 384 . 1 1 37 37 CYS CB C 13 42.465 0.300 . 1 . . . . 37 CYS CB . 16111 1 385 . 1 1 37 37 CYS N N 15 118.471 0.300 . 1 . . . . 37 CYS N . 16111 1 386 . 1 1 38 38 HIS H H 1 9.118 0.020 . 1 . . . . 38 HIS H . 16111 1 387 . 1 1 38 38 HIS HA H 1 5.078 0.020 . 1 . . . . 38 HIS HA . 16111 1 388 . 1 1 38 38 HIS HB2 H 1 3.029 0.020 . 2 . . . . 38 HIS HB2 . 16111 1 389 . 1 1 38 38 HIS HB3 H 1 2.910 0.020 . 2 . . . . 38 HIS HB3 . 16111 1 390 . 1 1 38 38 HIS CA C 13 55.308 0.300 . 1 . . . . 38 HIS CA . 16111 1 391 . 1 1 38 38 HIS CB C 13 33.458 0.300 . 1 . . . . 38 HIS CB . 16111 1 392 . 1 1 38 38 HIS N N 15 117.191 0.300 . 1 . . . . 38 HIS N . 16111 1 393 . 1 1 39 39 LYS H H 1 8.943 0.020 . 1 . . . . 39 LYS H . 16111 1 394 . 1 1 39 39 LYS HA H 1 4.716 0.020 . 1 . . . . 39 LYS HA . 16111 1 395 . 1 1 39 39 LYS HB2 H 1 1.825 0.020 . 2 . . . . 39 LYS HB2 . 16111 1 396 . 1 1 39 39 LYS HB3 H 1 1.716 0.020 . 2 . . . . 39 LYS HB3 . 16111 1 397 . 1 1 39 39 LYS HE2 H 1 3.522 0.020 . 2 . . . . 39 LYS HE2 . 16111 1 398 . 1 1 39 39 LYS HE3 H 1 3.438 0.020 . 2 . . . . 39 LYS HE3 . 16111 1 399 . 1 1 39 39 LYS HG2 H 1 1.398 0.020 . 2 . . . . 39 LYS HG2 . 16111 1 400 . 1 1 39 39 LYS HG3 H 1 1.287 0.020 . 2 . . . . 39 LYS HG3 . 16111 1 401 . 1 1 39 39 LYS CA C 13 55.669 0.300 . 1 . . . . 39 LYS CA . 16111 1 402 . 1 1 39 39 LYS CB C 13 33.093 0.300 . 1 . . . . 39 LYS CB . 16111 1 403 . 1 1 39 39 LYS CE C 13 41.891 0.300 . 1 . . . . 39 LYS CE . 16111 1 404 . 1 1 39 39 LYS CG C 13 24.733 0.300 . 1 . . . . 39 LYS CG . 16111 1 405 . 1 1 39 39 LYS N N 15 123.515 0.300 . 1 . . . . 39 LYS N . 16111 1 406 . 1 1 40 40 ARG H H 1 8.581 0.020 . 1 . . . . 40 ARG H . 16111 1 407 . 1 1 40 40 ARG HA H 1 4.595 0.020 . 1 . . . . 40 ARG HA . 16111 1 408 . 1 1 40 40 ARG HB2 H 1 1.895 0.020 . 1 . . . . 40 ARG QB . 16111 1 409 . 1 1 40 40 ARG HB3 H 1 1.895 0.020 . 1 . . . . 40 ARG QB . 16111 1 410 . 1 1 40 40 ARG HD2 H 1 2.697 0.020 . 1 . . . . 40 ARG QD . 16111 1 411 . 1 1 40 40 ARG HD3 H 1 2.697 0.020 . 1 . . . . 40 ARG QD . 16111 1 412 . 1 1 40 40 ARG HG2 H 1 1.741 0.020 . 1 . . . . 40 ARG QG . 16111 1 413 . 1 1 40 40 ARG HG3 H 1 1.741 0.020 . 1 . . . . 40 ARG QG . 16111 1 414 . 1 1 40 40 ARG CA C 13 54.053 0.300 . 1 . . . . 40 ARG CA . 16111 1 415 . 1 1 40 40 ARG CB C 13 30.420 0.300 . 1 . . . . 40 ARG CB . 16111 1 416 . 1 1 40 40 ARG CD C 13 40.949 0.300 . 1 . . . . 40 ARG CD . 16111 1 417 . 1 1 40 40 ARG CG C 13 26.502 0.300 . 1 . . . . 40 ARG CG . 16111 1 418 . 1 1 40 40 ARG N N 15 125.405 0.300 . 1 . . . . 40 ARG N . 16111 1 419 . 1 1 41 41 GLU H H 1 8.658 0.020 . 1 . . . . 41 GLU H . 16111 1 420 . 1 1 41 41 GLU HA H 1 4.212 0.020 . 1 . . . . 41 GLU HA . 16111 1 421 . 1 1 41 41 GLU HB2 H 1 2.102 0.020 . 2 . . . . 41 GLU HB2 . 16111 1 422 . 1 1 41 41 GLU HB3 H 1 2.064 0.020 . 2 . . . . 41 GLU HB3 . 16111 1 423 . 1 1 41 41 GLU HG2 H 1 2.320 0.020 . 1 . . . . 41 GLU QG . 16111 1 424 . 1 1 41 41 GLU HG3 H 1 2.320 0.020 . 1 . . . . 41 GLU QG . 16111 1 425 . 1 1 41 41 GLU CA C 13 57.180 0.300 . 1 . . . . 41 GLU CA . 16111 1 426 . 1 1 41 41 GLU CB C 13 29.675 0.300 . 1 . . . . 41 GLU CB . 16111 1 427 . 1 1 41 41 GLU CG C 13 36.126 0.300 . 1 . . . . 41 GLU CG . 16111 1 428 . 1 1 41 41 GLU N N 15 121.637 0.300 . 1 . . . . 41 GLU N . 16111 1 429 . 1 1 42 42 ALA H H 1 8.681 0.020 . 1 . . . . 42 ALA H . 16111 1 430 . 1 1 42 42 ALA HA H 1 4.193 0.020 . 1 . . . . 42 ALA HA . 16111 1 431 . 1 1 42 42 ALA HB1 H 1 1.475 0.020 . 1 . . . . 42 ALA QB . 16111 1 432 . 1 1 42 42 ALA HB2 H 1 1.475 0.020 . 1 . . . . 42 ALA QB . 16111 1 433 . 1 1 42 42 ALA HB3 H 1 1.475 0.020 . 1 . . . . 42 ALA QB . 16111 1 434 . 1 1 42 42 ALA CA C 13 52.602 0.300 . 1 . . . . 42 ALA CA . 16111 1 435 . 1 1 42 42 ALA CB C 13 17.838 0.300 . 1 . . . . 42 ALA CB . 16111 1 436 . 1 1 42 42 ALA N N 15 122.801 0.300 . 1 . . . . 42 ALA N . 16111 1 437 . 1 1 43 43 GLY H H 1 8.350 0.020 . 1 . . . . 43 GLY H . 16111 1 438 . 1 1 43 43 GLY HA2 H 1 4.054 0.020 . 2 . . . . 43 GLY HA2 . 16111 1 439 . 1 1 43 43 GLY HA3 H 1 3.806 0.020 . 2 . . . . 43 GLY HA3 . 16111 1 440 . 1 1 43 43 GLY CA C 13 45.332 0.300 . 1 . . . . 43 GLY CA . 16111 1 441 . 1 1 43 43 GLY N N 15 106.447 0.300 . 1 . . . . 43 GLY N . 16111 1 442 . 1 1 44 44 LYS H H 1 7.754 0.020 . 1 . . . . 44 LYS H . 16111 1 443 . 1 1 44 44 LYS HA H 1 4.453 0.020 . 1 . . . . 44 LYS HA . 16111 1 444 . 1 1 44 44 LYS HB2 H 1 1.849 0.020 . 2 . . . . 44 LYS HB2 . 16111 1 445 . 1 1 44 44 LYS HB3 H 1 1.768 0.020 . 2 . . . . 44 LYS HB3 . 16111 1 446 . 1 1 44 44 LYS HD2 H 1 1.689 0.020 . 1 . . . . 44 LYS QD . 16111 1 447 . 1 1 44 44 LYS HD3 H 1 1.689 0.020 . 1 . . . . 44 LYS QD . 16111 1 448 . 1 1 44 44 LYS HE2 H 1 2.998 0.020 . 1 . . . . 44 LYS QE . 16111 1 449 . 1 1 44 44 LYS HE3 H 1 2.998 0.020 . 1 . . . . 44 LYS QE . 16111 1 450 . 1 1 44 44 LYS HG2 H 1 1.453 0.020 . 2 . . . . 44 LYS HG2 . 16111 1 451 . 1 1 44 44 LYS HG3 H 1 1.381 0.020 . 2 . . . . 44 LYS HG3 . 16111 1 452 . 1 1 44 44 LYS CA C 13 55.444 0.300 . 1 . . . . 44 LYS CA . 16111 1 453 . 1 1 44 44 LYS CB C 13 33.681 0.300 . 1 . . . . 44 LYS CB . 16111 1 454 . 1 1 44 44 LYS CD C 13 29.025 0.300 . 1 . . . . 44 LYS CD . 16111 1 455 . 1 1 44 44 LYS CE C 13 41.928 0.300 . 1 . . . . 44 LYS CE . 16111 1 456 . 1 1 44 44 LYS CG C 13 24.653 0.300 . 1 . . . . 44 LYS CG . 16111 1 457 . 1 1 44 44 LYS N N 15 119.520 0.300 . 1 . . . . 44 LYS N . 16111 1 458 . 1 1 45 45 GLU H H 1 8.950 0.020 . 1 . . . . 45 GLU H . 16111 1 459 . 1 1 45 45 GLU HA H 1 4.786 0.020 . 1 . . . . 45 GLU HA . 16111 1 460 . 1 1 45 45 GLU HB2 H 1 1.986 0.020 . 2 . . . . 45 GLU HB2 . 16111 1 461 . 1 1 45 45 GLU HB3 H 1 1.921 0.020 . 2 . . . . 45 GLU HB3 . 16111 1 462 . 1 1 45 45 GLU HG2 H 1 2.850 0.020 . 2 . . . . 45 GLU HG2 . 16111 1 463 . 1 1 45 45 GLU HG3 H 1 2.649 0.020 . 2 . . . . 45 GLU HG3 . 16111 1 464 . 1 1 45 45 GLU CA C 13 55.773 0.300 . 1 . . . . 45 GLU CA . 16111 1 465 . 1 1 45 45 GLU CB C 13 31.421 0.300 . 1 . . . . 45 GLU CB . 16111 1 466 . 1 1 45 45 GLU CG C 13 40.948 0.300 . 1 . . . . 45 GLU CG . 16111 1 467 . 1 1 45 45 GLU N N 15 125.444 0.300 . 1 . . . . 45 GLU N . 16111 1 468 . 1 1 46 46 SER H H 1 8.567 0.020 . 1 . . . . 46 SER H . 16111 1 469 . 1 1 46 46 SER HA H 1 4.727 0.020 . 1 . . . . 46 SER HA . 16111 1 470 . 1 1 46 46 SER HB2 H 1 3.522 0.020 . 2 . . . . 46 SER HB2 . 16111 1 471 . 1 1 46 46 SER HB3 H 1 3.431 0.020 . 2 . . . . 46 SER HB3 . 16111 1 472 . 1 1 46 46 SER CA C 13 56.911 0.300 . 1 . . . . 46 SER CA . 16111 1 473 . 1 1 46 46 SER CB C 13 65.616 0.300 . 1 . . . . 46 SER CB . 16111 1 474 . 1 1 46 46 SER N N 15 119.522 0.300 . 1 . . . . 46 SER N . 16111 1 475 . 1 1 47 47 CYS H H 1 9.044 0.020 . 1 . . . . 47 CYS H . 16111 1 476 . 1 1 47 47 CYS HA H 1 4.488 0.020 . 1 . . . . 47 CYS HA . 16111 1 477 . 1 1 47 47 CYS HB2 H 1 2.133 0.020 . 2 . . . . 47 CYS HB2 . 16111 1 478 . 1 1 47 47 CYS HB3 H 1 1.991 0.020 . 2 . . . . 47 CYS HB3 . 16111 1 479 . 1 1 47 47 CYS CA C 13 54.538 0.300 . 1 . . . . 47 CYS CA . 16111 1 480 . 1 1 47 47 CYS CB C 13 35.634 0.300 . 1 . . . . 47 CYS CB . 16111 1 481 . 1 1 47 47 CYS N N 15 120.774 0.300 . 1 . . . . 47 CYS N . 16111 1 482 . 1 1 48 48 PHE H H 1 9.014 0.020 . 1 . . . . 48 PHE H . 16111 1 483 . 1 1 48 48 PHE HA H 1 4.519 0.020 . 1 . . . . 48 PHE HA . 16111 1 484 . 1 1 48 48 PHE HB2 H 1 3.132 0.020 . 2 . . . . 48 PHE HB2 . 16111 1 485 . 1 1 48 48 PHE HB3 H 1 2.423 0.020 . 2 . . . . 48 PHE HB3 . 16111 1 486 . 1 1 48 48 PHE HD1 H 1 6.792 0.020 . 1 . . . . 48 PHE QD . 16111 1 487 . 1 1 48 48 PHE HD2 H 1 6.792 0.020 . 1 . . . . 48 PHE QD . 16111 1 488 . 1 1 48 48 PHE HE1 H 1 6.770 0.020 . 1 . . . . 48 PHE QE . 16111 1 489 . 1 1 48 48 PHE HE2 H 1 6.770 0.020 . 1 . . . . 48 PHE QE . 16111 1 490 . 1 1 48 48 PHE HZ H 1 6.771 0.020 . 1 . . . . 48 PHE HZ . 16111 1 491 . 1 1 48 48 PHE CA C 13 57.497 0.300 . 1 . . . . 48 PHE CA . 16111 1 492 . 1 1 48 48 PHE CB C 13 41.544 0.300 . 1 . . . . 48 PHE CB . 16111 1 493 . 1 1 48 48 PHE CD1 C 13 131.948 0.300 . 1 . . . . 48 PHE CD1 . 16111 1 494 . 1 1 48 48 PHE CZ C 13 131.511 0.300 . 1 . . . . 48 PHE CZ . 16111 1 495 . 1 1 48 48 PHE N N 15 129.231 0.300 . 1 . . . . 48 PHE N . 16111 1 496 . 1 1 49 49 CYS H H 1 8.848 0.020 . 1 . . . . 49 CYS H . 16111 1 497 . 1 1 49 49 CYS HA H 1 5.373 0.020 . 1 . . . . 49 CYS HA . 16111 1 498 . 1 1 49 49 CYS HB2 H 1 2.851 0.020 . 2 . . . . 49 CYS HB2 . 16111 1 499 . 1 1 49 49 CYS HB3 H 1 2.581 0.020 . 2 . . . . 49 CYS HB3 . 16111 1 500 . 1 1 49 49 CYS CA C 13 50.616 0.300 . 1 . . . . 49 CYS CA . 16111 1 501 . 1 1 49 49 CYS CB C 13 37.430 0.300 . 1 . . . . 49 CYS CB . 16111 1 502 . 1 1 49 49 CYS N N 15 115.520 0.300 . 1 . . . . 49 CYS N . 16111 1 503 . 1 1 50 50 TYR H H 1 8.364 0.020 . 1 . . . . 50 TYR H . 16111 1 504 . 1 1 50 50 TYR HA H 1 5.142 0.020 . 1 . . . . 50 TYR HA . 16111 1 505 . 1 1 50 50 TYR HB2 H 1 2.697 0.020 . 2 . . . . 50 TYR HB2 . 16111 1 506 . 1 1 50 50 TYR HB3 H 1 2.273 0.020 . 2 . . . . 50 TYR HB3 . 16111 1 507 . 1 1 50 50 TYR HD1 H 1 6.390 0.020 . 1 . . . . 50 TYR QD . 16111 1 508 . 1 1 50 50 TYR HD2 H 1 6.390 0.020 . 1 . . . . 50 TYR QD . 16111 1 509 . 1 1 50 50 TYR HE1 H 1 6.627 0.020 . 1 . . . . 50 TYR QE . 16111 1 510 . 1 1 50 50 TYR HE2 H 1 6.627 0.020 . 1 . . . . 50 TYR QE . 16111 1 511 . 1 1 50 50 TYR CA C 13 57.319 0.300 . 1 . . . . 50 TYR CA . 16111 1 512 . 1 1 50 50 TYR CB C 13 40.772 0.300 . 1 . . . . 50 TYR CB . 16111 1 513 . 1 1 50 50 TYR N N 15 117.308 0.300 . 1 . . . . 50 TYR N . 16111 1 514 . 1 1 51 51 PHE H H 1 9.116 0.020 . 1 . . . . 51 PHE H . 16111 1 515 . 1 1 51 51 PHE HA H 1 4.885 0.020 . 1 . . . . 51 PHE HA . 16111 1 516 . 1 1 51 51 PHE HB2 H 1 3.269 0.020 . 2 . . . . 51 PHE HB2 . 16111 1 517 . 1 1 51 51 PHE HB3 H 1 2.642 0.020 . 2 . . . . 51 PHE HB3 . 16111 1 518 . 1 1 51 51 PHE HD1 H 1 7.242 0.020 . 1 . . . . 51 PHE QD . 16111 1 519 . 1 1 51 51 PHE HD2 H 1 7.242 0.020 . 1 . . . . 51 PHE QD . 16111 1 520 . 1 1 51 51 PHE HE1 H 1 7.409 0.020 . 1 . . . . 51 PHE QE . 16111 1 521 . 1 1 51 51 PHE HE2 H 1 7.409 0.020 . 1 . . . . 51 PHE QE . 16111 1 522 . 1 1 51 51 PHE CA C 13 55.852 0.300 . 1 . . . . 51 PHE CA . 16111 1 523 . 1 1 51 51 PHE CB C 13 43.114 0.300 . 1 . . . . 51 PHE CB . 16111 1 524 . 1 1 51 51 PHE N N 15 120.779 0.300 . 1 . . . . 51 PHE N . 16111 1 525 . 1 1 52 52 ASP H H 1 9.235 0.020 . 1 . . . . 52 ASP H . 16111 1 526 . 1 1 52 52 ASP HA H 1 4.788 0.020 . 1 . . . . 52 ASP HA . 16111 1 527 . 1 1 52 52 ASP HB2 H 1 2.856 0.020 . 2 . . . . 52 ASP HB2 . 16111 1 528 . 1 1 52 52 ASP HB3 H 1 2.659 0.020 . 2 . . . . 52 ASP HB3 . 16111 1 529 . 1 1 52 52 ASP CA C 13 55.200 0.300 . 1 . . . . 52 ASP CA . 16111 1 530 . 1 1 52 52 ASP CB C 13 41.017 0.300 . 1 . . . . 52 ASP CB . 16111 1 531 . 1 1 52 52 ASP N N 15 122.713 0.300 . 1 . . . . 52 ASP N . 16111 1 532 . 1 1 53 53 CYS H H 1 9.144 0.020 . 1 . . . . 53 CYS H . 16111 1 533 . 1 1 53 53 CYS HA H 1 4.614 0.020 . 1 . . . . 53 CYS HA . 16111 1 534 . 1 1 53 53 CYS HB2 H 1 3.225 0.020 . 2 . . . . 53 CYS HB2 . 16111 1 535 . 1 1 53 53 CYS HB3 H 1 3.054 0.020 . 2 . . . . 53 CYS HB3 . 16111 1 536 . 1 1 53 53 CYS CA C 13 56.963 0.300 . 1 . . . . 53 CYS CA . 16111 1 537 . 1 1 53 53 CYS CB C 13 42.149 0.300 . 1 . . . . 53 CYS CB . 16111 1 538 . 1 1 53 53 CYS N N 15 126.032 0.300 . 1 . . . . 53 CYS N . 16111 1 539 . 1 1 54 54 SER H H 1 8.872 0.020 . 1 . . . . 54 SER H . 16111 1 540 . 1 1 54 54 SER HA H 1 4.377 0.020 . 1 . . . . 54 SER HA . 16111 1 541 . 1 1 54 54 SER HB2 H 1 3.963 0.020 . 1 . . . . 54 SER QB . 16111 1 542 . 1 1 54 54 SER HB3 H 1 3.963 0.020 . 1 . . . . 54 SER QB . 16111 1 543 . 1 1 54 54 SER CA C 13 59.778 0.300 . 1 . . . . 54 SER CA . 16111 1 544 . 1 1 54 54 SER CB C 13 63.357 0.300 . 1 . . . . 54 SER CB . 16111 1 545 . 1 1 54 54 SER N N 15 115.829 0.300 . 1 . . . . 54 SER N . 16111 1 546 . 1 1 55 55 LYS H H 1 8.039 0.020 . 1 . . . . 55 LYS H . 16111 1 547 . 1 1 55 55 LYS HA H 1 4.531 0.020 . 1 . . . . 55 LYS HA . 16111 1 548 . 1 1 55 55 LYS HB2 H 1 1.989 0.020 . 2 . . . . 55 LYS HB2 . 16111 1 549 . 1 1 55 55 LYS HB3 H 1 1.745 0.020 . 2 . . . . 55 LYS HB3 . 16111 1 550 . 1 1 55 55 LYS HD2 H 1 1.462 0.020 . 1 . . . . 55 LYS QD . 16111 1 551 . 1 1 55 55 LYS HD3 H 1 1.462 0.020 . 1 . . . . 55 LYS QD . 16111 1 552 . 1 1 55 55 LYS HE2 H 1 3.024 0.020 . 1 . . . . 55 LYS QE . 16111 1 553 . 1 1 55 55 LYS HE3 H 1 3.024 0.020 . 1 . . . . 55 LYS QE . 16111 1 554 . 1 1 55 55 LYS HG2 H 1 1.408 0.020 . 1 . . . . 55 LYS QG . 16111 1 555 . 1 1 55 55 LYS HG3 H 1 1.408 0.020 . 1 . . . . 55 LYS QG . 16111 1 556 . 1 1 55 55 LYS CA C 13 55.296 0.300 . 1 . . . . 55 LYS CA . 16111 1 557 . 1 1 55 55 LYS CB C 13 32.923 0.300 . 1 . . . . 55 LYS CB . 16111 1 558 . 1 1 55 55 LYS CD C 13 28.946 0.300 . 1 . . . . 55 LYS CD . 16111 1 559 . 1 1 55 55 LYS CE C 13 42.010 0.300 . 1 . . . . 55 LYS CE . 16111 1 560 . 1 1 55 55 LYS CG C 13 24.153 0.300 . 1 . . . . 55 LYS CG . 16111 1 561 . 1 1 55 55 LYS N N 15 122.478 0.300 . 1 . . . . 55 LYS N . 16111 1 562 . 1 1 56 56 SER H H 1 8.006 0.020 . 1 . . . . 56 SER H . 16111 1 563 . 1 1 56 56 SER HA H 1 4.537 0.020 . 1 . . . . 56 SER HA . 16111 1 564 . 1 1 56 56 SER HB2 H 1 3.796 0.020 . 2 . . . . 56 SER HB2 . 16111 1 565 . 1 1 56 56 SER HB3 H 1 3.668 0.020 . 2 . . . . 56 SER HB3 . 16111 1 566 . 1 1 56 56 SER CA C 13 56.356 0.300 . 1 . . . . 56 SER CA . 16111 1 567 . 1 1 56 56 SER CB C 13 63.434 0.300 . 1 . . . . 56 SER CB . 16111 1 568 . 1 1 56 56 SER N N 15 117.425 0.300 . 1 . . . . 56 SER N . 16111 1 569 . 1 1 57 57 PRO HA H 1 4.484 0.020 . 1 . . . . 57 PRO HA . 16111 1 570 . 1 1 57 57 PRO HB2 H 1 2.306 0.020 . 2 . . . . 57 PRO HB2 . 16111 1 571 . 1 1 57 57 PRO HB3 H 1 1.921 0.020 . 2 . . . . 57 PRO HB3 . 16111 1 572 . 1 1 57 57 PRO HD2 H 1 3.822 0.020 . 2 . . . . 57 PRO HD2 . 16111 1 573 . 1 1 57 57 PRO HD3 H 1 3.654 0.020 . 2 . . . . 57 PRO HD3 . 16111 1 574 . 1 1 57 57 PRO HG2 H 1 2.038 0.020 . 1 . . . . 57 PRO QG . 16111 1 575 . 1 1 57 57 PRO HG3 H 1 2.038 0.020 . 1 . . . . 57 PRO QG . 16111 1 576 . 1 1 57 57 PRO CA C 13 63.115 0.300 . 1 . . . . 57 PRO CA . 16111 1 577 . 1 1 57 57 PRO CB C 13 31.951 0.300 . 1 . . . . 57 PRO CB . 16111 1 578 . 1 1 57 57 PRO CD C 13 50.336 0.300 . 1 . . . . 57 PRO CD . 16111 1 579 . 1 1 57 57 PRO CG C 13 27.134 0.300 . 1 . . . . 57 PRO CG . 16111 1 580 . 1 1 57 57 PRO N N 15 137.498 0.300 . 1 . . . . 57 PRO N . 16111 1 581 . 1 1 58 58 PRO HA H 1 4.384 0.020 . 1 . . . . 58 PRO HA . 16111 1 582 . 1 1 58 58 PRO HB2 H 1 2.292 0.020 . 2 . . . . 58 PRO HB2 . 16111 1 583 . 1 1 58 58 PRO HB3 H 1 1.884 0.020 . 2 . . . . 58 PRO HB3 . 16111 1 584 . 1 1 58 58 PRO HD2 H 1 3.813 0.020 . 2 . . . . 58 PRO HD2 . 16111 1 585 . 1 1 58 58 PRO HD3 H 1 3.612 0.020 . 2 . . . . 58 PRO HD3 . 16111 1 586 . 1 1 58 58 PRO HG2 H 1 2.040 0.020 . 1 . . . . 58 PRO QG . 16111 1 587 . 1 1 58 58 PRO HG3 H 1 2.040 0.020 . 1 . . . . 58 PRO QG . 16111 1 588 . 1 1 58 58 PRO CA C 13 62.804 0.300 . 1 . . . . 58 PRO CA . 16111 1 589 . 1 1 58 58 PRO CB C 13 31.851 0.300 . 1 . . . . 58 PRO CB . 16111 1 590 . 1 1 58 58 PRO CD C 13 50.308 0.300 . 1 . . . . 58 PRO CD . 16111 1 591 . 1 1 58 58 PRO CG C 13 27.176 0.300 . 1 . . . . 58 PRO CG . 16111 1 592 . 1 1 58 58 PRO N N 15 135.513 0.300 . 1 . . . . 58 PRO N . 16111 1 593 . 1 1 59 59 GLY H H 1 8.604 0.020 . 1 . . . . 59 GLY H . 16111 1 594 . 1 1 59 59 GLY HA2 H 1 4.026 0.020 . 2 . . . . 59 GLY HA2 . 16111 1 595 . 1 1 59 59 GLY HA3 H 1 3.845 0.020 . 2 . . . . 59 GLY HA3 . 16111 1 596 . 1 1 59 59 GLY CA C 13 44.975 0.300 . 1 . . . . 59 GLY CA . 16111 1 597 . 1 1 59 59 GLY N N 15 109.712 0.300 . 1 . . . . 59 GLY N . 16111 1 598 . 1 1 60 60 ALA H H 1 7.837 0.020 . 1 . . . . 60 ALA H . 16111 1 599 . 1 1 60 60 ALA HA H 1 4.283 0.020 . 1 . . . . 60 ALA HA . 16111 1 600 . 1 1 60 60 ALA HB1 H 1 1.303 0.020 . 1 . . . . 60 ALA QB . 16111 1 601 . 1 1 60 60 ALA HB2 H 1 1.303 0.020 . 1 . . . . 60 ALA QB . 16111 1 602 . 1 1 60 60 ALA HB3 H 1 1.303 0.020 . 1 . . . . 60 ALA QB . 16111 1 603 . 1 1 60 60 ALA CA C 13 52.306 0.300 . 1 . . . . 60 ALA CA . 16111 1 604 . 1 1 60 60 ALA CB C 13 19.053 0.300 . 1 . . . . 60 ALA CB . 16111 1 605 . 1 1 60 60 ALA N N 15 122.853 0.300 . 1 . . . . 60 ALA N . 16111 1 606 . 1 1 61 61 THR H H 1 7.959 0.020 . 1 . . . . 61 THR H . 16111 1 607 . 1 1 61 61 THR HA H 1 4.439 0.020 . 1 . . . . 61 THR HA . 16111 1 608 . 1 1 61 61 THR HB H 1 4.040 0.020 . 1 . . . . 61 THR HB . 16111 1 609 . 1 1 61 61 THR HG21 H 1 1.174 0.020 . 1 . . . . 61 THR QG2 . 16111 1 610 . 1 1 61 61 THR HG22 H 1 1.174 0.020 . 1 . . . . 61 THR QG2 . 16111 1 611 . 1 1 61 61 THR HG23 H 1 1.174 0.020 . 1 . . . . 61 THR QG2 . 16111 1 612 . 1 1 61 61 THR CA C 13 60.067 0.300 . 1 . . . . 61 THR CA . 16111 1 613 . 1 1 61 61 THR CB C 13 70.361 0.300 . 1 . . . . 61 THR CB . 16111 1 614 . 1 1 61 61 THR CG2 C 13 21.883 0.300 . 1 . . . . 61 THR CG2 . 16111 1 615 . 1 1 61 61 THR N N 15 113.197 0.300 . 1 . . . . 61 THR N . 16111 1 616 . 1 1 62 62 PRO HA H 1 4.563 0.020 . 1 . . . . 62 PRO HA . 16111 1 617 . 1 1 62 62 PRO HB2 H 1 1.916 0.020 . 2 . . . . 62 PRO HB2 . 16111 1 618 . 1 1 62 62 PRO HB3 H 1 2.344 0.020 . 2 . . . . 62 PRO HB3 . 16111 1 619 . 1 1 62 62 PRO HD2 H 1 3.904 0.020 . 2 . . . . 62 PRO HD2 . 16111 1 620 . 1 1 62 62 PRO HD3 H 1 3.717 0.020 . 2 . . . . 62 PRO HD3 . 16111 1 621 . 1 1 62 62 PRO HG2 H 1 2.012 0.020 . 1 . . . . 62 PRO QG . 16111 1 622 . 1 1 62 62 PRO HG3 H 1 2.012 0.020 . 1 . . . . 62 PRO QG . 16111 1 623 . 1 1 62 62 PRO CA C 13 63.344 0.300 . 1 . . . . 62 PRO CA . 16111 1 624 . 1 1 62 62 PRO CB C 13 31.866 0.300 . 1 . . . . 62 PRO CB . 16111 1 625 . 1 1 62 62 PRO CD C 13 50.732 0.300 . 1 . . . . 62 PRO CD . 16111 1 626 . 1 1 62 62 PRO CG C 13 27.152 0.300 . 1 . . . . 62 PRO CG . 16111 1 627 . 1 1 62 62 PRO N N 15 138.281 0.300 . 1 . . . . 62 PRO N . 16111 1 628 . 1 1 63 63 ALA H H 1 8.584 0.020 . 1 . . . . 63 ALA H . 16111 1 629 . 1 1 63 63 ALA HA H 1 4.513 0.020 . 1 . . . . 63 ALA HA . 16111 1 630 . 1 1 63 63 ALA HB1 H 1 1.326 0.020 . 1 . . . . 63 ALA QB . 16111 1 631 . 1 1 63 63 ALA HB2 H 1 1.326 0.020 . 1 . . . . 63 ALA QB . 16111 1 632 . 1 1 63 63 ALA HB3 H 1 1.326 0.020 . 1 . . . . 63 ALA QB . 16111 1 633 . 1 1 63 63 ALA CA C 13 49.999 0.300 . 1 . . . . 63 ALA CA . 16111 1 634 . 1 1 63 63 ALA CB C 13 17.867 0.300 . 1 . . . . 63 ALA CB . 16111 1 635 . 1 1 63 63 ALA N N 15 126.922 0.300 . 1 . . . . 63 ALA N . 16111 1 636 . 1 1 64 64 PRO HA H 1 4.712 0.020 . 1 . . . . 64 PRO HA . 16111 1 637 . 1 1 64 64 PRO HB2 H 1 1.910 0.020 . 2 . . . . 64 PRO HB2 . 16111 1 638 . 1 1 64 64 PRO HB3 H 1 2.348 0.020 . 2 . . . . 64 PRO HB3 . 16111 1 639 . 1 1 64 64 PRO HD2 H 1 3.838 0.020 . 2 . . . . 64 PRO HD2 . 16111 1 640 . 1 1 64 64 PRO HD3 H 1 3.633 0.020 . 2 . . . . 64 PRO HD3 . 16111 1 641 . 1 1 64 64 PRO HG2 H 1 2.051 0.020 . 1 . . . . 64 PRO QG . 16111 1 642 . 1 1 64 64 PRO HG3 H 1 2.051 0.020 . 1 . . . . 64 PRO QG . 16111 1 643 . 1 1 64 64 PRO CA C 13 60.818 0.300 . 1 . . . . 64 PRO CA . 16111 1 644 . 1 1 64 64 PRO CB C 13 30.433 0.300 . 1 . . . . 64 PRO CB . 16111 1 645 . 1 1 64 64 PRO CD C 13 50.239 0.300 . 1 . . . . 64 PRO CD . 16111 1 646 . 1 1 64 64 PRO CG C 13 27.199 0.300 . 1 . . . . 64 PRO CG . 16111 1 647 . 1 1 64 64 PRO N N 15 136.999 0.300 . 1 . . . . 64 PRO N . 16111 1 648 . 1 1 65 65 PRO HA H 1 4.386 0.020 . 1 . . . . 65 PRO HA . 16111 1 649 . 1 1 65 65 PRO HB2 H 1 2.297 0.020 . 2 . . . . 65 PRO HB2 . 16111 1 650 . 1 1 65 65 PRO HB3 H 1 1.913 0.020 . 2 . . . . 65 PRO HB3 . 16111 1 651 . 1 1 65 65 PRO HD2 H 1 3.820 0.020 . 2 . . . . 65 PRO HD2 . 16111 1 652 . 1 1 65 65 PRO HD3 H 1 3.627 0.020 . 2 . . . . 65 PRO HD3 . 16111 1 653 . 1 1 65 65 PRO HG2 H 1 2.030 0.020 . 1 . . . . 65 PRO QG . 16111 1 654 . 1 1 65 65 PRO HG3 H 1 2.030 0.020 . 1 . . . . 65 PRO QG . 16111 1 655 . 1 1 65 65 PRO CA C 13 62.920 0.300 . 1 . . . . 65 PRO CA . 16111 1 656 . 1 1 65 65 PRO CB C 13 31.850 0.300 . 1 . . . . 65 PRO CB . 16111 1 657 . 1 1 65 65 PRO CD C 13 50.135 0.300 . 1 . . . . 65 PRO CD . 16111 1 658 . 1 1 65 65 PRO CG C 13 26.982 0.300 . 1 . . . . 65 PRO CG . 16111 1 659 . 1 1 65 65 PRO N N 15 135.390 0.300 . 1 . . . . 65 PRO N . 16111 1 660 . 1 1 66 66 GLY H H 1 8.458 0.020 . 1 . . . . 66 GLY H . 16111 1 661 . 1 1 66 66 GLY HA2 H 1 3.910 0.020 . 2 . . . . 66 GLY HA2 . 16111 1 662 . 1 1 66 66 GLY HA3 H 1 3.922 0.020 . 2 . . . . 66 GLY HA3 . 16111 1 663 . 1 1 66 66 GLY CA C 13 44.840 0.300 . 1 . . . . 66 GLY CA . 16111 1 664 . 1 1 66 66 GLY N N 15 109.185 0.300 . 1 . . . . 66 GLY N . 16111 1 665 . 1 1 67 67 ALA H H 1 7.883 0.020 . 1 . . . . 67 ALA H . 16111 1 666 . 1 1 67 67 ALA HA H 1 4.195 0.020 . 1 . . . . 67 ALA HA . 16111 1 667 . 1 1 67 67 ALA HB1 H 1 1.275 0.020 . 1 . . . . 67 ALA QB . 16111 1 668 . 1 1 67 67 ALA HB2 H 1 1.275 0.020 . 1 . . . . 67 ALA QB . 16111 1 669 . 1 1 67 67 ALA HB3 H 1 1.275 0.020 . 1 . . . . 67 ALA QB . 16111 1 670 . 1 1 67 67 ALA CA C 13 52.221 0.300 . 1 . . . . 67 ALA CA . 16111 1 671 . 1 1 67 67 ALA CB C 13 19.358 0.300 . 1 . . . . 67 ALA CB . 16111 1 672 . 1 1 67 67 ALA N N 15 123.030 0.300 . 1 . . . . 67 ALA N . 16111 1 673 . 1 1 68 68 ALA H H 1 8.121 0.020 . 1 . . . . 68 ALA H . 16111 1 674 . 1 1 68 68 ALA HA H 1 4.272 0.020 . 1 . . . . 68 ALA HA . 16111 1 675 . 1 1 68 68 ALA HB1 H 1 1.150 0.020 . 1 . . . . 68 ALA QB . 16111 1 676 . 1 1 68 68 ALA HB2 H 1 1.150 0.020 . 1 . . . . 68 ALA QB . 16111 1 677 . 1 1 68 68 ALA HB3 H 1 1.150 0.020 . 1 . . . . 68 ALA QB . 16111 1 678 . 1 1 68 68 ALA CA C 13 49.915 0.300 . 1 . . . . 68 ALA CA . 16111 1 679 . 1 1 68 68 ALA CB C 13 17.854 0.300 . 1 . . . . 68 ALA CB . 16111 1 680 . 1 1 68 68 ALA N N 15 123.321 0.300 . 1 . . . . 68 ALA N . 16111 1 681 . 1 1 69 69 PRO HA H 1 4.706 0.020 . 1 . . . . 69 PRO HA . 16111 1 682 . 1 1 69 69 PRO HB2 H 1 2.349 0.020 . 2 . . . . 69 PRO HB2 . 16111 1 683 . 1 1 69 69 PRO HB3 H 1 1.913 0.020 . 2 . . . . 69 PRO HB3 . 16111 1 684 . 1 1 69 69 PRO HD2 H 1 3.609 0.020 . 2 . . . . 69 PRO HD2 . 16111 1 685 . 1 1 69 69 PRO HD3 H 1 3.831 0.020 . 2 . . . . 69 PRO HD3 . 16111 1 686 . 1 1 69 69 PRO HG2 H 1 2.048 0.020 . 1 . . . . 69 PRO QG . 16111 1 687 . 1 1 69 69 PRO HG3 H 1 2.048 0.020 . 1 . . . . 69 PRO QG . 16111 1 688 . 1 1 69 69 PRO CA C 13 61.201 0.300 . 1 . . . . 69 PRO CA . 16111 1 689 . 1 1 69 69 PRO CB C 13 30.451 0.300 . 1 . . . . 69 PRO CB . 16111 1 690 . 1 1 69 69 PRO CD C 13 50.248 0.300 . 1 . . . . 69 PRO CD . 16111 1 691 . 1 1 69 69 PRO CG C 13 27.090 0.300 . 1 . . . . 69 PRO CG . 16111 1 692 . 1 1 69 69 PRO N N 15 136.133 0.300 . 1 . . . . 69 PRO N . 16111 1 693 . 1 1 70 70 PRO HA H 1 4.702 0.020 . 1 . . . . 70 PRO HA . 16111 1 694 . 1 1 70 70 PRO HB2 H 1 1.924 0.020 . 2 . . . . 70 PRO HB2 . 16111 1 695 . 1 1 70 70 PRO HB3 H 1 2.347 0.020 . 2 . . . . 70 PRO HB3 . 16111 1 696 . 1 1 70 70 PRO HD2 H 1 3.639 0.020 . 2 . . . . 70 PRO HD2 . 16111 1 697 . 1 1 70 70 PRO HD3 H 1 3.831 0.020 . 2 . . . . 70 PRO HD3 . 16111 1 698 . 1 1 70 70 PRO HG2 H 1 2.050 0.020 . 1 . . . . 70 PRO QG . 16111 1 699 . 1 1 70 70 PRO HG3 H 1 2.050 0.020 . 1 . . . . 70 PRO QG . 16111 1 700 . 1 1 70 70 PRO CA C 13 61.201 0.300 . 1 . . . . 70 PRO CA . 16111 1 701 . 1 1 70 70 PRO CB C 13 30.467 0.300 . 1 . . . . 70 PRO CB . 16111 1 702 . 1 1 70 70 PRO CD C 13 50.196 0.300 . 1 . . . . 70 PRO CD . 16111 1 703 . 1 1 70 70 PRO CG C 13 27.112 0.300 . 1 . . . . 70 PRO CG . 16111 1 704 . 1 1 71 71 PRO HA H 1 4.376 0.020 . 1 . . . . 71 PRO HA . 16111 1 705 . 1 1 71 71 PRO HB2 H 1 2.300 0.020 . 2 . . . . 71 PRO HB2 . 16111 1 706 . 1 1 71 71 PRO HB3 H 1 1.913 0.020 . 2 . . . . 71 PRO HB3 . 16111 1 707 . 1 1 71 71 PRO HD2 H 1 3.815 0.020 . 2 . . . . 71 PRO HD2 . 16111 1 708 . 1 1 71 71 PRO HD3 H 1 3.629 0.020 . 2 . . . . 71 PRO HD3 . 16111 1 709 . 1 1 71 71 PRO HG2 H 1 2.030 0.020 . 1 . . . . 71 PRO QG . 16111 1 710 . 1 1 71 71 PRO HG3 H 1 2.030 0.020 . 1 . . . . 71 PRO QG . 16111 1 711 . 1 1 71 71 PRO CA C 13 63.098 0.300 . 1 . . . . 71 PRO CA . 16111 1 712 . 1 1 71 71 PRO CB C 13 31.843 0.300 . 1 . . . . 71 PRO CB . 16111 1 713 . 1 1 71 71 PRO CD C 13 50.159 0.300 . 1 . . . . 71 PRO CD . 16111 1 714 . 1 1 71 71 PRO CG C 13 27.107 0.300 . 1 . . . . 71 PRO CG . 16111 1 715 . 1 1 71 71 PRO N N 15 134.869 0.300 . 1 . . . . 71 PRO N . 16111 1 716 . 1 1 72 72 ALA H H 1 8.492 0.020 . 1 . . . . 72 ALA H . 16111 1 717 . 1 1 72 72 ALA HA H 1 4.279 0.020 . 1 . . . . 72 ALA HA . 16111 1 718 . 1 1 72 72 ALA HB1 H 1 1.388 0.020 . 1 . . . . 72 ALA QB . 16111 1 719 . 1 1 72 72 ALA HB2 H 1 1.388 0.020 . 1 . . . . 72 ALA QB . 16111 1 720 . 1 1 72 72 ALA HB3 H 1 1.388 0.020 . 1 . . . . 72 ALA QB . 16111 1 721 . 1 1 72 72 ALA CA C 13 52.184 0.300 . 1 . . . . 72 ALA CA . 16111 1 722 . 1 1 72 72 ALA CB C 13 18.826 0.300 . 1 . . . . 72 ALA CB . 16111 1 723 . 1 1 72 72 ALA N N 15 124.580 0.300 . 1 . . . . 72 ALA N . 16111 1 724 . 1 1 73 73 ALA H H 1 8.343 0.020 . 1 . . . . 73 ALA H . 16111 1 725 . 1 1 73 73 ALA HA H 1 4.281 0.020 . 1 . . . . 73 ALA HA . 16111 1 726 . 1 1 73 73 ALA HB1 H 1 1.376 0.020 . 1 . . . . 73 ALA QB . 16111 1 727 . 1 1 73 73 ALA HB2 H 1 1.376 0.020 . 1 . . . . 73 ALA QB . 16111 1 728 . 1 1 73 73 ALA HB3 H 1 1.376 0.020 . 1 . . . . 73 ALA QB . 16111 1 729 . 1 1 73 73 ALA CA C 13 52.401 0.300 . 1 . . . . 73 ALA CA . 16111 1 730 . 1 1 73 73 ALA CB C 13 18.836 0.300 . 1 . . . . 73 ALA CB . 16111 1 731 . 1 1 73 73 ALA N N 15 123.311 0.300 . 1 . . . . 73 ALA N . 16111 1 732 . 1 1 74 74 GLY H H 1 8.401 0.020 . 1 . . . . 74 GLY H . 16111 1 733 . 1 1 74 74 GLY HA2 H 1 3.974 0.020 . 1 . . . . 74 GLY QA . 16111 1 734 . 1 1 74 74 GLY HA3 H 1 3.974 0.020 . 1 . . . . 74 GLY QA . 16111 1 735 . 1 1 74 74 GLY CA C 13 45.123 0.300 . 1 . . . . 74 GLY CA . 16111 1 736 . 1 1 74 74 GLY N N 15 108.669 0.300 . 1 . . . . 74 GLY N . 16111 1 737 . 1 1 75 75 GLY H H 1 8.241 0.020 . 1 . . . . 75 GLY H . 16111 1 738 . 1 1 75 75 GLY HA2 H 1 3.980 0.020 . 1 . . . . 75 GLY QA . 16111 1 739 . 1 1 75 75 GLY HA3 H 1 3.980 0.020 . 1 . . . . 75 GLY QA . 16111 1 740 . 1 1 75 75 GLY CA C 13 44.890 0.300 . 1 . . . . 75 GLY CA . 16111 1 741 . 1 1 75 75 GLY N N 15 108.352 0.300 . 1 . . . . 75 GLY N . 16111 1 742 . 1 1 76 76 SER H H 1 8.262 0.020 . 1 . . . . 76 SER H . 16111 1 743 . 1 1 76 76 SER HA H 1 4.795 0.020 . 1 . . . . 76 SER HA . 16111 1 744 . 1 1 76 76 SER HB2 H 1 3.895 0.020 . 1 . . . . 76 SER QB . 16111 1 745 . 1 1 76 76 SER HB3 H 1 3.895 0.020 . 1 . . . . 76 SER QB . 16111 1 746 . 1 1 76 76 SER CA C 13 56.015 0.300 . 1 . . . . 76 SER CA . 16111 1 747 . 1 1 76 76 SER CB C 13 63.055 0.300 . 1 . . . . 76 SER CB . 16111 1 748 . 1 1 76 76 SER N N 15 116.721 0.300 . 1 . . . . 76 SER N . 16111 1 749 . 1 1 77 77 PRO HA H 1 4.480 0.020 . 1 . . . . 77 PRO HA . 16111 1 750 . 1 1 77 77 PRO HB2 H 1 2.302 0.020 . 2 . . . . 77 PRO HB2 . 16111 1 751 . 1 1 77 77 PRO HB3 H 1 1.935 0.020 . 2 . . . . 77 PRO HB3 . 16111 1 752 . 1 1 77 77 PRO HD2 H 1 3.829 0.020 . 2 . . . . 77 PRO HD2 . 16111 1 753 . 1 1 77 77 PRO HD3 H 1 3.638 0.020 . 2 . . . . 77 PRO HD3 . 16111 1 754 . 1 1 77 77 PRO HG2 H 1 2.037 0.020 . 1 . . . . 77 PRO QG . 16111 1 755 . 1 1 77 77 PRO HG3 H 1 2.037 0.020 . 1 . . . . 77 PRO QG . 16111 1 756 . 1 1 77 77 PRO CA C 13 62.857 0.300 . 1 . . . . 77 PRO CA . 16111 1 757 . 1 1 77 77 PRO CB C 13 31.771 0.300 . 1 . . . . 77 PRO CB . 16111 1 758 . 1 1 77 77 PRO CD C 13 50.186 0.300 . 1 . . . . 77 PRO CD . 16111 1 759 . 1 1 77 77 PRO CG C 13 27.101 0.300 . 1 . . . . 77 PRO CG . 16111 1 760 . 1 1 77 77 PRO N N 15 135.128 0.300 . 1 . . . . 77 PRO N . 16111 1 761 . 1 1 78 78 SER H H 1 8.429 0.020 . 1 . . . . 78 SER H . 16111 1 762 . 1 1 78 78 SER HA H 1 4.724 0.020 . 1 . . . . 78 SER HA . 16111 1 763 . 1 1 78 78 SER HB2 H 1 3.728 0.020 . 1 . . . . 78 SER QB . 16111 1 764 . 1 1 78 78 SER HB3 H 1 3.728 0.020 . 1 . . . . 78 SER QB . 16111 1 765 . 1 1 78 78 SER CA C 13 56.150 0.300 . 1 . . . . 78 SER CA . 16111 1 766 . 1 1 78 78 SER CB C 13 62.857 0.300 . 1 . . . . 78 SER CB . 16111 1 767 . 1 1 78 78 SER N N 15 117.896 0.300 . 1 . . . . 78 SER N . 16111 1 768 . 1 1 80 80 PRO HA H 1 4.392 0.020 . 1 . . . . 80 PRO HA . 16111 1 769 . 1 1 80 80 PRO HB2 H 1 2.303 0.020 . 2 . . . . 80 PRO HB2 . 16111 1 770 . 1 1 80 80 PRO HB3 H 1 1.930 0.020 . 2 . . . . 80 PRO HB3 . 16111 1 771 . 1 1 80 80 PRO HD2 H 1 3.824 0.020 . 2 . . . . 80 PRO HD2 . 16111 1 772 . 1 1 80 80 PRO HD3 H 1 3.617 0.020 . 2 . . . . 80 PRO HD3 . 16111 1 773 . 1 1 80 80 PRO HG2 H 1 2.089 0.020 . 2 . . . . 80 PRO HG2 . 16111 1 774 . 1 1 80 80 PRO HG3 H 1 2.033 0.020 . 2 . . . . 80 PRO HG3 . 16111 1 775 . 1 1 80 80 PRO CA C 13 62.824 0.300 . 1 . . . . 80 PRO CA . 16111 1 776 . 1 1 80 80 PRO CB C 13 31.840 0.300 . 1 . . . . 80 PRO CB . 16111 1 777 . 1 1 80 80 PRO CD C 13 50.208 0.300 . 1 . . . . 80 PRO CD . 16111 1 778 . 1 1 80 80 PRO CG C 13 27.143 0.300 . 1 . . . . 80 PRO CG . 16111 1 779 . 1 1 80 80 PRO N N 15 135.447 0.300 . 1 . . . . 80 PRO N . 16111 1 780 . 1 1 81 81 ALA H H 1 8.367 0.020 . 1 . . . . 81 ALA H . 16111 1 781 . 1 1 81 81 ALA HA H 1 4.276 0.020 . 1 . . . . 81 ALA HA . 16111 1 782 . 1 1 81 81 ALA HB1 H 1 1.377 0.020 . 1 . . . . 81 ALA QB . 16111 1 783 . 1 1 81 81 ALA HB2 H 1 1.377 0.020 . 1 . . . . 81 ALA QB . 16111 1 784 . 1 1 81 81 ALA HB3 H 1 1.377 0.020 . 1 . . . . 81 ALA QB . 16111 1 785 . 1 1 81 81 ALA CA C 13 52.282 0.300 . 1 . . . . 81 ALA CA . 16111 1 786 . 1 1 81 81 ALA CB C 13 19.009 0.300 . 1 . . . . 81 ALA CB . 16111 1 787 . 1 1 81 81 ALA N N 15 124.184 0.300 . 1 . . . . 81 ALA N . 16111 1 788 . 1 1 82 82 ASP H H 1 8.290 0.020 . 1 . . . . 82 ASP H . 16111 1 789 . 1 1 82 82 ASP HA H 1 4.599 0.020 . 1 . . . . 82 ASP HA . 16111 1 790 . 1 1 82 82 ASP HB2 H 1 2.696 0.020 . 1 . . . . 82 ASP QB . 16111 1 791 . 1 1 82 82 ASP HB3 H 1 2.696 0.020 . 1 . . . . 82 ASP QB . 16111 1 792 . 1 1 82 82 ASP CA C 13 54.039 0.300 . 1 . . . . 82 ASP CA . 16111 1 793 . 1 1 82 82 ASP CB C 13 40.996 0.300 . 1 . . . . 82 ASP CB . 16111 1 794 . 1 1 82 82 ASP N N 15 119.036 0.300 . 1 . . . . 82 ASP N . 16111 1 795 . 1 1 83 83 GLY H H 1 8.326 0.020 . 1 . . . . 83 GLY H . 16111 1 796 . 1 1 83 83 GLY HA2 H 1 3.970 0.020 . 1 . . . . 83 GLY QA . 16111 1 797 . 1 1 83 83 GLY HA3 H 1 3.970 0.020 . 1 . . . . 83 GLY QA . 16111 1 798 . 1 1 83 83 GLY CA C 13 45.153 0.300 . 1 . . . . 83 GLY CA . 16111 1 799 . 1 1 83 83 GLY N N 15 109.251 0.300 . 1 . . . . 83 GLY N . 16111 1 800 . 1 1 84 84 GLY H H 1 8.326 0.020 . 1 . . . . 84 GLY H . 16111 1 801 . 1 1 84 84 GLY HA2 H 1 3.886 0.020 . 1 . . . . 84 GLY QA . 16111 1 802 . 1 1 84 84 GLY HA3 H 1 3.886 0.020 . 1 . . . . 84 GLY QA . 16111 1 803 . 1 1 84 84 GLY CA C 13 44.885 0.300 . 1 . . . . 84 GLY CA . 16111 1 804 . 1 1 84 84 GLY N N 15 108.560 0.300 . 1 . . . . 84 GLY N . 16111 1 805 . 1 1 85 85 SER H H 1 7.911 0.020 . 1 . . . . 85 SER H . 16111 1 806 . 1 1 85 85 SER HA H 1 4.590 0.020 . 1 . . . . 85 SER HA . 16111 1 807 . 1 1 85 85 SER HB2 H 1 3.743 0.020 . 1 . . . . 85 SER QB . 16111 1 808 . 1 1 85 85 SER HB3 H 1 3.743 0.020 . 1 . . . . 85 SER QB . 16111 1 809 . 1 1 85 85 SER CA C 13 54.874 0.300 . 1 . . . . 85 SER CA . 16111 1 810 . 1 1 85 85 SER CB C 13 64.120 0.300 . 1 . . . . 85 SER CB . 16111 1 811 . 1 1 85 85 SER N N 15 114.697 0.300 . 1 . . . . 85 SER N . 16111 1 812 . 1 1 86 86 PRO HA H 1 4.707 0.020 . 1 . . . . 86 PRO HA . 16111 1 813 . 1 1 86 86 PRO HB2 H 1 2.289 0.020 . 2 . . . . 86 PRO HB2 . 16111 1 814 . 1 1 86 86 PRO HD2 H 1 3.094 0.020 . 2 . . . . 86 PRO HD2 . 16111 1 815 . 1 1 86 86 PRO HD3 H 1 3.238 0.020 . 2 . . . . 86 PRO HD3 . 16111 1 816 . 1 1 86 86 PRO HG2 H 1 1.786 0.020 . 2 . . . . 86 PRO HG2 . 16111 1 817 . 1 1 86 86 PRO HG3 H 1 1.732 0.020 . 2 . . . . 86 PRO HG3 . 16111 1 818 . 1 1 86 86 PRO CA C 13 61.030 0.300 . 1 . . . . 86 PRO CA . 16111 1 819 . 1 1 86 86 PRO CB C 13 30.435 0.300 . 1 . . . . 86 PRO CB . 16111 1 820 . 1 1 86 86 PRO CD C 13 49.895 0.300 . 1 . . . . 86 PRO CD . 16111 1 821 . 1 1 86 86 PRO CG C 13 27.095 0.300 . 1 . . . . 86 PRO CG . 16111 1 822 . 1 1 86 86 PRO N N 15 138.916 0.300 . 1 . . . . 86 PRO N . 16111 1 823 . 1 1 87 87 PRO HA H 1 4.604 0.020 . 1 . . . . 87 PRO HA . 16111 1 824 . 1 1 87 87 PRO HB2 H 1 2.264 0.020 . 2 . . . . 87 PRO HB2 . 16111 1 825 . 1 1 87 87 PRO HB3 H 1 1.769 0.020 . 2 . . . . 87 PRO HB3 . 16111 1 826 . 1 1 87 87 PRO HD2 H 1 3.366 0.020 . 2 . . . . 87 PRO HD2 . 16111 1 827 . 1 1 87 87 PRO HD3 H 1 3.599 0.020 . 2 . . . . 87 PRO HD3 . 16111 1 828 . 1 1 87 87 PRO HG2 H 1 1.923 0.020 . 1 . . . . 87 PRO QG . 16111 1 829 . 1 1 87 87 PRO HG3 H 1 1.923 0.020 . 1 . . . . 87 PRO QG . 16111 1 830 . 1 1 87 87 PRO CA C 13 61.007 0.300 . 1 . . . . 87 PRO CA . 16111 1 831 . 1 1 87 87 PRO CB C 13 30.393 0.300 . 1 . . . . 87 PRO CB . 16111 1 832 . 1 1 87 87 PRO CD C 13 50.063 0.300 . 1 . . . . 87 PRO CD . 16111 1 833 . 1 1 87 87 PRO CG C 13 27.048 0.300 . 1 . . . . 87 PRO CG . 16111 1 834 . 1 1 87 87 PRO N N 15 136.100 0.300 . 1 . . . . 87 PRO N . 16111 1 835 . 1 1 88 88 PRO HA H 1 4.734 0.020 . 1 . . . . 88 PRO HA . 16111 1 836 . 1 1 88 88 PRO HD2 H 1 3.757 0.020 . 1 . . . . 88 PRO HD2 . 16111 1 837 . 1 1 88 88 PRO CA C 13 59.609 0.300 . 1 . . . . 88 PRO CA . 16111 1 838 . 1 1 88 88 PRO CD C 13 50.680 0.300 . 1 . . . . 88 PRO CD . 16111 1 839 . 1 1 88 88 PRO N N 15 138.980 0.300 . 1 . . . . 88 PRO N . 16111 1 840 . 1 1 89 89 PRO HA H 1 4.399 0.020 . 1 . . . . 89 PRO HA . 16111 1 841 . 1 1 89 89 PRO HB2 H 1 2.303 0.020 . 2 . . . . 89 PRO HB2 . 16111 1 842 . 1 1 89 89 PRO HB3 H 1 1.930 0.020 . 2 . . . . 89 PRO HB3 . 16111 1 843 . 1 1 89 89 PRO HD2 H 1 3.824 0.020 . 2 . . . . 89 PRO HD2 . 16111 1 844 . 1 1 89 89 PRO HD3 H 1 3.635 0.020 . 2 . . . . 89 PRO HD3 . 16111 1 845 . 1 1 89 89 PRO HG2 H 1 2.089 0.020 . 2 . . . . 89 PRO HG2 . 16111 1 846 . 1 1 89 89 PRO HG3 H 1 2.033 0.020 . 2 . . . . 89 PRO HG3 . 16111 1 847 . 1 1 89 89 PRO CA C 13 62.828 0.300 . 1 . . . . 89 PRO CA . 16111 1 848 . 1 1 89 89 PRO CB C 13 31.840 0.300 . 1 . . . . 89 PRO CB . 16111 1 849 . 1 1 89 89 PRO CD C 13 50.208 0.300 . 1 . . . . 89 PRO CD . 16111 1 850 . 1 1 89 89 PRO CG C 13 27.143 0.300 . 1 . . . . 89 PRO CG . 16111 1 851 . 1 1 89 89 PRO N N 15 135.005 0.300 . 1 . . . . 89 PRO N . 16111 1 852 . 1 1 90 90 ALA H H 1 8.469 0.020 . 1 . . . . 90 ALA H . 16111 1 853 . 1 1 90 90 ALA HA H 1 4.269 0.020 . 1 . . . . 90 ALA HA . 16111 1 854 . 1 1 90 90 ALA HB1 H 1 1.380 0.020 . 1 . . . . 90 ALA QB . 16111 1 855 . 1 1 90 90 ALA HB2 H 1 1.380 0.020 . 1 . . . . 90 ALA QB . 16111 1 856 . 1 1 90 90 ALA HB3 H 1 1.380 0.020 . 1 . . . . 90 ALA QB . 16111 1 857 . 1 1 90 90 ALA CA C 13 52.299 0.300 . 1 . . . . 90 ALA CA . 16111 1 858 . 1 1 90 90 ALA CB C 13 19.016 0.300 . 1 . . . . 90 ALA CB . 16111 1 859 . 1 1 90 90 ALA N N 15 124.572 0.300 . 1 . . . . 90 ALA N . 16111 1 860 . 1 1 91 91 ASP H H 1 7.966 0.020 . 1 . . . . 91 ASP H . 16111 1 861 . 1 1 91 91 ASP HA H 1 4.468 0.020 . 1 . . . . 91 ASP HA . 16111 1 862 . 1 1 91 91 ASP HB2 H 1 2.764 0.020 . 1 . . . . 91 ASP QB . 16111 1 863 . 1 1 91 91 ASP HB3 H 1 2.764 0.020 . 1 . . . . 91 ASP QB . 16111 1 864 . 1 1 91 91 ASP CA C 13 54.303 0.300 . 1 . . . . 91 ASP CA . 16111 1 865 . 1 1 91 91 ASP CB C 13 40.854 0.300 . 1 . . . . 91 ASP CB . 16111 1 866 . 1 1 91 91 ASP N N 15 123.030 0.300 . 1 . . . . 91 ASP N . 16111 1 867 . 1 1 92 92 GLY H H 1 8.327 0.020 . 1 . . . . 92 GLY H . 16111 1 868 . 1 1 92 92 GLY HA2 H 1 3.966 0.020 . 1 . . . . 92 GLY QA . 16111 1 869 . 1 1 92 92 GLY HA3 H 1 3.966 0.020 . 1 . . . . 92 GLY QA . 16111 1 870 . 1 1 92 92 GLY CA C 13 45.225 0.300 . 1 . . . . 92 GLY CA . 16111 1 871 . 1 1 92 92 GLY N N 15 109.252 0.300 . 1 . . . . 92 GLY N . 16111 1 872 . 1 1 93 93 GLY H H 1 8.241 0.020 . 1 . . . . 93 GLY H . 16111 1 873 . 1 1 93 93 GLY HA2 H 1 3.992 0.020 . 1 . . . . 93 GLY QA . 16111 1 874 . 1 1 93 93 GLY HA3 H 1 3.992 0.020 . 1 . . . . 93 GLY QA . 16111 1 875 . 1 1 93 93 GLY CA C 13 45.015 0.300 . 1 . . . . 93 GLY CA . 16111 1 876 . 1 1 93 93 GLY N N 15 108.344 0.300 . 1 . . . . 93 GLY N . 16111 1 877 . 1 1 94 94 SER H H 1 7.981 0.020 . 1 . . . . 94 SER H . 16111 1 878 . 1 1 94 94 SER HA H 1 4.632 0.020 . 1 . . . . 94 SER HA . 16111 1 879 . 1 1 94 94 SER HB2 H 1 3.737 0.020 . 1 . . . . 94 SER QB . 16111 1 880 . 1 1 94 94 SER HB3 H 1 3.737 0.020 . 1 . . . . 94 SER QB . 16111 1 881 . 1 1 94 94 SER CA C 13 55.326 0.300 . 1 . . . . 94 SER CA . 16111 1 882 . 1 1 94 94 SER CB C 13 63.922 0.300 . 1 . . . . 94 SER CB . 16111 1 883 . 1 1 94 94 SER N N 15 114.887 0.300 . 1 . . . . 94 SER N . 16111 1 884 . 1 1 95 95 PRO HA H 1 5.021 0.020 . 1 . . . . 95 PRO HA . 16111 1 885 . 1 1 95 95 PRO HB2 H 1 2.451 0.020 . 2 . . . . 95 PRO HB2 . 16111 1 886 . 1 1 95 95 PRO HB3 H 1 2.125 0.020 . 2 . . . . 95 PRO HB3 . 16111 1 887 . 1 1 95 95 PRO HD2 H 1 3.600 0.020 . 2 . . . . 95 PRO HD2 . 16111 1 888 . 1 1 95 95 PRO HD3 H 1 3.551 0.020 . 2 . . . . 95 PRO HD3 . 16111 1 889 . 1 1 95 95 PRO HG2 H 1 1.968 0.020 . 2 . . . . 95 PRO HG2 . 16111 1 890 . 1 1 95 95 PRO HG3 H 1 1.880 0.020 . 2 . . . . 95 PRO HG3 . 16111 1 891 . 1 1 95 95 PRO CA C 13 61.633 0.300 . 1 . . . . 95 PRO CA . 16111 1 892 . 1 1 95 95 PRO CB C 13 32.507 0.300 . 1 . . . . 95 PRO CB . 16111 1 893 . 1 1 95 95 PRO CD C 13 50.214 0.300 . 1 . . . . 95 PRO CD . 16111 1 894 . 1 1 95 95 PRO CG C 13 24.451 0.300 . 1 . . . . 95 PRO CG . 16111 1 895 . 1 1 95 95 PRO N N 15 138.465 0.300 . 1 . . . . 95 PRO N . 16111 1 896 . 1 1 96 96 PRO HA H 1 4.458 0.020 . 1 . . . . 96 PRO HA . 16111 1 897 . 1 1 96 96 PRO HB2 H 1 2.306 0.020 . 2 . . . . 96 PRO HB2 . 16111 1 898 . 1 1 96 96 PRO HB3 H 1 1.932 0.020 . 2 . . . . 96 PRO HB3 . 16111 1 899 . 1 1 96 96 PRO HD2 H 1 3.827 0.020 . 2 . . . . 96 PRO HD2 . 16111 1 900 . 1 1 96 96 PRO HD3 H 1 3.650 0.020 . 2 . . . . 96 PRO HD3 . 16111 1 901 . 1 1 96 96 PRO HG2 H 1 2.041 0.020 . 1 . . . . 96 PRO QG . 16111 1 902 . 1 1 96 96 PRO HG3 H 1 2.041 0.020 . 1 . . . . 96 PRO QG . 16111 1 903 . 1 1 96 96 PRO CA C 13 62.792 0.300 . 1 . . . . 96 PRO CA . 16111 1 904 . 1 1 96 96 PRO CB C 13 31.705 0.300 . 1 . . . . 96 PRO CB . 16111 1 905 . 1 1 96 96 PRO CD C 13 50.281 0.300 . 1 . . . . 96 PRO CD . 16111 1 906 . 1 1 96 96 PRO CG C 13 27.239 0.300 . 1 . . . . 96 PRO CG . 16111 1 907 . 1 1 96 96 PRO N N 15 135.255 0.300 . 1 . . . . 96 PRO N . 16111 1 908 . 1 1 97 97 VAL H H 1 8.287 0.020 . 1 . . . . 97 VAL H . 16111 1 909 . 1 1 97 97 VAL HA H 1 4.097 0.020 . 1 . . . . 97 VAL HA . 16111 1 910 . 1 1 97 97 VAL HB H 1 2.077 0.020 . 1 . . . . 97 VAL HB . 16111 1 911 . 1 1 97 97 VAL HG11 H 1 0.934 0.020 . 1 . . . . 97 VAL QG1 . 16111 1 912 . 1 1 97 97 VAL HG12 H 1 0.934 0.020 . 1 . . . . 97 VAL QG1 . 16111 1 913 . 1 1 97 97 VAL HG13 H 1 0.934 0.020 . 1 . . . . 97 VAL QG1 . 16111 1 914 . 1 1 97 97 VAL CA C 13 62.055 0.300 . 1 . . . . 97 VAL CA . 16111 1 915 . 1 1 97 97 VAL CB C 13 32.521 0.300 . 1 . . . . 97 VAL CB . 16111 1 916 . 1 1 97 97 VAL CG1 C 13 20.325 0.300 . 1 . . . . 97 VAL CG1 . 16111 1 917 . 1 1 97 97 VAL N N 15 119.959 0.300 . 1 . . . . 97 VAL N . 16111 1 918 . 1 1 98 98 ASP H H 1 8.418 0.020 . 1 . . . . 98 ASP H . 16111 1 919 . 1 1 98 98 ASP HA H 1 4.606 0.020 . 1 . . . . 98 ASP HA . 16111 1 920 . 1 1 98 98 ASP HB2 H 1 2.703 0.020 . 1 . . . . 98 ASP QB . 16111 1 921 . 1 1 98 98 ASP HB3 H 1 2.703 0.020 . 1 . . . . 98 ASP QB . 16111 1 922 . 1 1 98 98 ASP CA C 13 54.040 0.300 . 1 . . . . 98 ASP CA . 16111 1 923 . 1 1 98 98 ASP CB C 13 40.935 0.300 . 1 . . . . 98 ASP CB . 16111 1 924 . 1 1 98 98 ASP N N 15 123.531 0.300 . 1 . . . . 98 ASP N . 16111 1 925 . 1 1 99 99 GLY H H 1 8.389 0.020 . 1 . . . . 99 GLY H . 16111 1 926 . 1 1 99 99 GLY HA2 H 1 3.974 0.020 . 1 . . . . 99 GLY QA . 16111 1 927 . 1 1 99 99 GLY HA3 H 1 3.974 0.020 . 1 . . . . 99 GLY QA . 16111 1 928 . 1 1 99 99 GLY CA C 13 45.012 0.300 . 1 . . . . 99 GLY CA . 16111 1 929 . 1 1 99 99 GLY N N 15 109.812 0.300 . 1 . . . . 99 GLY N . 16111 1 930 . 1 1 100 100 GLY H H 1 8.328 0.020 . 1 . . . . 100 GLY H . 16111 1 931 . 1 1 100 100 GLY HA2 H 1 3.983 0.020 . 1 . . . . 100 GLY QA . 16111 1 932 . 1 1 100 100 GLY HA3 H 1 3.983 0.020 . 1 . . . . 100 GLY QA . 16111 1 933 . 1 1 100 100 GLY CA C 13 44.962 0.300 . 1 . . . . 100 GLY CA . 16111 1 934 . 1 1 100 100 GLY N N 15 108.545 0.300 . 1 . . . . 100 GLY N . 16111 1 935 . 1 1 101 101 SER H H 1 8.203 0.020 . 1 . . . . 101 SER H . 16111 1 936 . 1 1 101 101 SER HA H 1 4.773 0.020 . 1 . . . . 101 SER HA . 16111 1 937 . 1 1 101 101 SER HB2 H 1 3.757 0.020 . 2 . . . . 101 SER HB2 . 16111 1 938 . 1 1 101 101 SER HB3 H 1 3.883 0.020 . 2 . . . . 101 SER HB3 . 16111 1 939 . 1 1 101 101 SER CA C 13 56.126 0.300 . 1 . . . . 101 SER CA . 16111 1 940 . 1 1 101 101 SER CB C 13 63.155 0.300 . 1 . . . . 101 SER CB . 16111 1 941 . 1 1 101 101 SER N N 15 116.775 0.300 . 1 . . . . 101 SER N . 16111 1 942 . 1 1 102 102 PRO HA H 1 4.573 0.020 . 1 . . . . 102 PRO HA . 16111 1 943 . 1 1 103 103 PRO HA H 1 5.025 0.020 . 1 . . . . 103 PRO HA . 16111 1 944 . 1 1 103 103 PRO HB2 H 1 2.449 0.020 . 2 . . . . 103 PRO HB2 . 16111 1 945 . 1 1 103 103 PRO HB3 H 1 2.129 0.020 . 2 . . . . 103 PRO HB3 . 16111 1 946 . 1 1 103 103 PRO HD2 H 1 3.600 0.020 . 2 . . . . 103 PRO HD2 . 16111 1 947 . 1 1 103 103 PRO HD3 H 1 3.550 0.020 . 2 . . . . 103 PRO HD3 . 16111 1 948 . 1 1 103 103 PRO HG2 H 1 1.968 0.020 . 2 . . . . 103 PRO HG2 . 16111 1 949 . 1 1 103 103 PRO HG3 H 1 1.880 0.020 . 2 . . . . 103 PRO HG3 . 16111 1 950 . 1 1 103 103 PRO CA C 13 61.847 0.300 . 1 . . . . 103 PRO CA . 16111 1 951 . 1 1 103 103 PRO CB C 13 32.608 0.300 . 1 . . . . 103 PRO CB . 16111 1 952 . 1 1 103 103 PRO CD C 13 50.032 0.300 . 1 . . . . 103 PRO CD . 16111 1 953 . 1 1 103 103 PRO CG C 13 24.534 0.300 . 1 . . . . 103 PRO CG . 16111 1 954 . 1 1 103 103 PRO N N 15 133.488 0.300 . 1 . . . . 103 PRO N . 16111 1 955 . 1 1 104 104 PRO HA H 1 4.658 0.020 . 1 . . . . 104 PRO HA . 16111 1 956 . 1 1 104 104 PRO HB2 H 1 2.265 0.020 . 2 . . . . 104 PRO HB2 . 16111 1 957 . 1 1 104 104 PRO HB3 H 1 1.909 0.020 . 2 . . . . 104 PRO HB3 . 16111 1 958 . 1 1 104 104 PRO HD2 H 1 3.776 0.020 . 2 . . . . 104 PRO HD2 . 16111 1 959 . 1 1 104 104 PRO HD3 H 1 3.582 0.020 . 2 . . . . 104 PRO HD3 . 16111 1 960 . 1 1 104 104 PRO HG2 H 1 2.045 0.020 . 1 . . . . 104 PRO QG . 16111 1 961 . 1 1 104 104 PRO HG3 H 1 2.045 0.020 . 1 . . . . 104 PRO QG . 16111 1 962 . 1 1 104 104 PRO CA C 13 61.111 0.300 . 1 . . . . 104 PRO CA . 16111 1 963 . 1 1 104 104 PRO CB C 13 30.452 0.300 . 1 . . . . 104 PRO CB . 16111 1 964 . 1 1 104 104 PRO CD C 13 50.143 0.300 . 1 . . . . 104 PRO CD . 16111 1 965 . 1 1 104 104 PRO CG C 13 27.094 0.300 . 1 . . . . 104 PRO CG . 16111 1 966 . 1 1 104 104 PRO N N 15 135.404 0.300 . 1 . . . . 104 PRO N . 16111 1 967 . 1 1 105 105 PRO HA H 1 4.456 0.020 . 1 . . . . 105 PRO HA . 16111 1 968 . 1 1 105 105 PRO HB2 H 1 2.296 0.020 . 2 . . . . 105 PRO HB2 . 16111 1 969 . 1 1 105 105 PRO HB3 H 1 1.927 0.020 . 2 . . . . 105 PRO HB3 . 16111 1 970 . 1 1 105 105 PRO HD2 H 1 3.820 0.020 . 2 . . . . 105 PRO HD2 . 16111 1 971 . 1 1 105 105 PRO HD3 H 1 3.630 0.020 . 2 . . . . 105 PRO HD3 . 16111 1 972 . 1 1 105 105 PRO HG2 H 1 2.037 0.020 . 1 . . . . 105 PRO QG . 16111 1 973 . 1 1 105 105 PRO HG3 H 1 2.037 0.020 . 1 . . . . 105 PRO QG . 16111 1 974 . 1 1 105 105 PRO CA C 13 62.807 0.300 . 1 . . . . 105 PRO CA . 16111 1 975 . 1 1 105 105 PRO CB C 13 31.623 0.300 . 1 . . . . 105 PRO CB . 16111 1 976 . 1 1 105 105 PRO CD C 13 50.329 0.300 . 1 . . . . 105 PRO CD . 16111 1 977 . 1 1 105 105 PRO CG C 13 27.172 0.300 . 1 . . . . 105 PRO CG . 16111 1 978 . 1 1 105 105 PRO N N 15 134.871 0.300 . 1 . . . . 105 PRO N . 16111 1 979 . 1 1 106 106 SER H H 1 8.460 0.020 . 1 . . . . 106 SER H . 16111 1 980 . 1 1 106 106 SER HA H 1 4.504 0.020 . 1 . . . . 106 SER HA . 16111 1 981 . 1 1 106 106 SER HB2 H 1 3.907 0.020 . 1 . . . . 106 SER QB . 16111 1 982 . 1 1 106 106 SER HB3 H 1 3.907 0.020 . 1 . . . . 106 SER QB . 16111 1 983 . 1 1 106 106 SER CA C 13 57.962 0.300 . 1 . . . . 106 SER CA . 16111 1 984 . 1 1 106 106 SER CB C 13 63.612 0.300 . 1 . . . . 106 SER CB . 16111 1 985 . 1 1 106 106 SER N N 15 115.724 0.300 . 1 . . . . 106 SER N . 16111 1 986 . 1 1 107 107 THR H H 1 8.169 0.020 . 1 . . . . 107 THR H . 16111 1 987 . 1 1 107 107 THR HA H 1 4.354 0.020 . 1 . . . . 107 THR HA . 16111 1 988 . 1 1 107 107 THR HB H 1 4.258 0.020 . 1 . . . . 107 THR HB . 16111 1 989 . 1 1 107 107 THR HG21 H 1 1.178 0.020 . 1 . . . . 107 THR QG2 . 16111 1 990 . 1 1 107 107 THR HG22 H 1 1.178 0.020 . 1 . . . . 107 THR QG2 . 16111 1 991 . 1 1 107 107 THR HG23 H 1 1.178 0.020 . 1 . . . . 107 THR QG2 . 16111 1 992 . 1 1 107 107 THR CA C 13 61.313 0.300 . 1 . . . . 107 THR CA . 16111 1 993 . 1 1 107 107 THR CB C 13 69.465 0.300 . 1 . . . . 107 THR CB . 16111 1 994 . 1 1 107 107 THR CG2 C 13 21.334 0.300 . 1 . . . . 107 THR CG2 . 16111 1 995 . 1 1 107 107 THR N N 15 115.310 0.300 . 1 . . . . 107 THR N . 16111 1 996 . 1 1 108 108 HIS H H 1 8.013 0.020 . 1 . . . . 108 HIS H . 16111 1 997 . 1 1 108 108 HIS HA H 1 4.476 0.020 . 1 . . . . 108 HIS HA . 16111 1 998 . 1 1 108 108 HIS HB2 H 1 3.224 0.020 . 2 . . . . 108 HIS HB2 . 16111 1 999 . 1 1 108 108 HIS HB3 H 1 3.070 0.020 . 2 . . . . 108 HIS HB3 . 16111 1 1000 . 1 1 108 108 HIS CA C 13 56.911 0.300 . 1 . . . . 108 HIS CA . 16111 1 1001 . 1 1 108 108 HIS CB C 13 30.155 0.300 . 1 . . . . 108 HIS CB . 16111 1 1002 . 1 1 108 108 HIS N N 15 125.204 0.300 . 1 . . . . 108 HIS N . 16111 1 stop_ save_