data_18573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18573 _Entry.Title ; Solution structure of Ca-bound Phl p 7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-05 _Entry.Accession_date 2012-07-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Henzl . T. . 18573 2 Arthur Sirianni . G. . 18573 3 John Tanner . J. . 18573 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18573 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium-binding protein' . 18573 'EF-hand protein' . 18573 polcalcin . 18573 protein . 18573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 18573 '15N chemical shifts' 79 18573 '1H chemical shifts' 506 18573 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-20 2012-07-05 update BMRB 'update entry citation' 18573 1 . . 2012-10-01 2012-07-05 original author 'original release' 18573 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18571 'apo-Phl p 7' 18573 BMRB 18572 'hemi-Mg-bound Phl p 7' 18573 PDB 2LVK 'BMRB Entry Tracking System' 18573 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 18573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23011803 _Citation.Full_citation . _Citation.Title 'Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 81 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 300 _Citation.Page_last 315 _Citation.Year 2013 _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 Michael Henzl . T. . 18573 1 2 Arthur Sirianni . G. . 18573 1 3 Wei Wycoff . G. . 18573 1 4 Anmin Tan . . . 18573 1 5 John Tanner . J. . 18573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18573 _Assembly.ID 1 _Assembly.Name 'Ca-bound Phl p 7' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Phl p 7' 1 $Phl_p_7 A . yes native no no . . . 18573 1 2 'CALCIUM ION' 2 $entity_CA B . yes native no no . . . 18573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Phl_p_7 _Entity.Sf_category entity _Entity.Sf_framecode Phl_p_7 _Entity.Entry_ID 18573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phl_p_7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADDMERIFKRFDTNGDGKIS LSELTDALRTLGSTSADEVQ RMMAEIDTDGDGFIDFNEFI SFCNANPGLMKDVAKVF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8553.554 _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 BMRB 18571 . Phl_p_7 . . . . . 100.00 77 100.00 100.00 1.84e-46 . . . . 18573 1 2 no BMRB 18572 . Phl_p_7 . . . . . 100.00 77 100.00 100.00 1.84e-46 . . . . 18573 1 3 no PDB 1K9U . "Crystal Structure Of The Calcium-Binding Pollen Allergen Phl P 7 (Polcalcin) At 1.75 Angstroem" . . . . . 100.00 78 100.00 100.00 1.89e-46 . . . . 18573 1 4 no PDB 2LVI . "Solution Structure Of Apo-phl P 7" . . . . . 100.00 77 100.00 100.00 1.84e-46 . . . . 18573 1 5 no PDB 2LVJ . "Solution Structure Of Hemi-mg-bound Phl P 7" . . . . . 100.00 77 100.00 100.00 1.84e-46 . . . . 18573 1 6 no PDB 2LVK . "Solution Structure Of Ca-bound Phl P 7" . . . . . 100.00 77 100.00 100.00 1.84e-46 . . . . 18573 1 7 no DBJ BAD13150 . "putative polcalcin Phl p 7 (Calcium-binding pollen allergen Phl p 7) (P7) [Oryza sativa Japonica Group]" . . . . . 97.40 82 100.00 100.00 1.45e-45 . . . . 18573 1 8 no DBJ BAD13211 . "putative polcalcin Phl p 7 (Calcium-binding pollen allergen Phl p 7) (P7) [Oryza sativa Japonica Group]" . . . . . 97.40 82 100.00 100.00 1.45e-45 . . . . 18573 1 9 no DBJ BAF24424 . "Os08g0560700 [Oryza sativa Japonica Group]" . . . . . 97.40 82 100.00 100.00 1.45e-45 . . . . 18573 1 10 no DBJ BAK07986 . "predicted protein [Hordeum vulgare subsp. vulgare]" . . . . . 100.00 78 97.40 98.70 3.81e-45 . . . . 18573 1 11 no DBJ BAT06698 . "Os08g0560700 [Oryza sativa Japonica Group]" . . . . . 97.40 82 100.00 100.00 1.45e-45 . . . . 18573 1 12 no EMBL CAA76887 . "p7 protein [Phleum pratense]" . . . . . 100.00 78 100.00 100.00 1.89e-46 . . . . 18573 1 13 no GB AEW67317 . "group 7 grass pollen allergen [Secale cereale x Triticum turgidum subsp. durum]" . . . . . 100.00 78 98.70 100.00 9.25e-46 . . . . 18573 1 14 no GB AEW67318 . "group 7 grass pollen allergen [Secale cereale x Triticum turgidum subsp. durum]" . . . . . 100.00 78 97.40 100.00 2.28e-45 . . . . 18573 1 15 no GB AEW67319 . "group 7 grass pollen allergen [Secale cereale x Triticum turgidum subsp. durum]" . . . . . 100.00 78 98.70 100.00 9.25e-46 . . . . 18573 1 16 no GB EAZ08013 . "hypothetical protein OsI_30279 [Oryza sativa Indica Group]" . . . . . 94.81 223 100.00 100.00 2.64e-43 . . . . 18573 1 17 no GB EAZ43661 . "hypothetical protein OsJ_28287 [Oryza sativa Japonica Group]" . . . . . 96.10 193 100.00 100.00 7.49e-45 . . . . 18573 1 18 no REF NP_001062510 . "Os08g0560700 [Oryza sativa Japonica Group]" . . . . . 97.40 82 100.00 100.00 1.45e-45 . . . . 18573 1 19 no REF XP_006660388 . "PREDICTED: polcalcin Phl p 7-like [Oryza brachyantha]" . . . . . 97.40 81 98.67 100.00 4.77e-45 . . . . 18573 1 20 no REF XP_010237791 . "PREDICTED: polcalcin Phl p 7 [Brachypodium distachyon]" . . . . . 100.00 80 97.40 100.00 2.97e-45 . . . . 18573 1 21 no SP O82040 . "RecName: Full=Polcalcin Phl p 7; AltName: Full=Calcium-binding pollen allergen Phl p 7; Short=P7; AltName: Allergen=Phl p 7" . . . . . 100.00 78 100.00 100.00 1.89e-46 . . . . 18573 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 . 18573 1 2 . ASP . 18573 1 3 . ASP . 18573 1 4 . MET . 18573 1 5 . GLU . 18573 1 6 . ARG . 18573 1 7 . ILE . 18573 1 8 . PHE . 18573 1 9 . LYS . 18573 1 10 . ARG . 18573 1 11 . PHE . 18573 1 12 . ASP . 18573 1 13 . THR . 18573 1 14 . ASN . 18573 1 15 . GLY . 18573 1 16 . ASP . 18573 1 17 . GLY . 18573 1 18 . LYS . 18573 1 19 . ILE . 18573 1 20 . SER . 18573 1 21 . LEU . 18573 1 22 . SER . 18573 1 23 . GLU . 18573 1 24 . LEU . 18573 1 25 . THR . 18573 1 26 . ASP . 18573 1 27 . ALA . 18573 1 28 . LEU . 18573 1 29 . ARG . 18573 1 30 . THR . 18573 1 31 . LEU . 18573 1 32 . GLY . 18573 1 33 . SER . 18573 1 34 . THR . 18573 1 35 . SER . 18573 1 36 . ALA . 18573 1 37 . ASP . 18573 1 38 . GLU . 18573 1 39 . VAL . 18573 1 40 . GLN . 18573 1 41 . ARG . 18573 1 42 . MET . 18573 1 43 . MET . 18573 1 44 . ALA . 18573 1 45 . GLU . 18573 1 46 . ILE . 18573 1 47 . ASP . 18573 1 48 . THR . 18573 1 49 . ASP . 18573 1 50 . GLY . 18573 1 51 . ASP . 18573 1 52 . GLY . 18573 1 53 . PHE . 18573 1 54 . ILE . 18573 1 55 . ASP . 18573 1 56 . PHE . 18573 1 57 . ASN . 18573 1 58 . GLU . 18573 1 59 . PHE . 18573 1 60 . ILE . 18573 1 61 . SER . 18573 1 62 . PHE . 18573 1 63 . CYS . 18573 1 64 . ASN . 18573 1 65 . ALA . 18573 1 66 . ASN . 18573 1 67 . PRO . 18573 1 68 . GLY . 18573 1 69 . LEU . 18573 1 70 . MET . 18573 1 71 . LYS . 18573 1 72 . ASP . 18573 1 73 . VAL . 18573 1 74 . ALA . 18573 1 75 . LYS . 18573 1 76 . VAL . 18573 1 77 . PHE . 18573 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 18573 1 . ASP 2 2 18573 1 . ASP 3 3 18573 1 . MET 4 4 18573 1 . GLU 5 5 18573 1 . ARG 6 6 18573 1 . ILE 7 7 18573 1 . PHE 8 8 18573 1 . LYS 9 9 18573 1 . ARG 10 10 18573 1 . PHE 11 11 18573 1 . ASP 12 12 18573 1 . THR 13 13 18573 1 . ASN 14 14 18573 1 . GLY 15 15 18573 1 . ASP 16 16 18573 1 . GLY 17 17 18573 1 . LYS 18 18 18573 1 . ILE 19 19 18573 1 . SER 20 20 18573 1 . LEU 21 21 18573 1 . SER 22 22 18573 1 . GLU 23 23 18573 1 . LEU 24 24 18573 1 . THR 25 25 18573 1 . ASP 26 26 18573 1 . ALA 27 27 18573 1 . LEU 28 28 18573 1 . ARG 29 29 18573 1 . THR 30 30 18573 1 . LEU 31 31 18573 1 . GLY 32 32 18573 1 . SER 33 33 18573 1 . THR 34 34 18573 1 . SER 35 35 18573 1 . ALA 36 36 18573 1 . ASP 37 37 18573 1 . GLU 38 38 18573 1 . VAL 39 39 18573 1 . GLN 40 40 18573 1 . ARG 41 41 18573 1 . MET 42 42 18573 1 . MET 43 43 18573 1 . ALA 44 44 18573 1 . GLU 45 45 18573 1 . ILE 46 46 18573 1 . ASP 47 47 18573 1 . THR 48 48 18573 1 . ASP 49 49 18573 1 . GLY 50 50 18573 1 . ASP 51 51 18573 1 . GLY 52 52 18573 1 . PHE 53 53 18573 1 . ILE 54 54 18573 1 . ASP 55 55 18573 1 . PHE 56 56 18573 1 . ASN 57 57 18573 1 . GLU 58 58 18573 1 . PHE 59 59 18573 1 . ILE 60 60 18573 1 . SER 61 61 18573 1 . PHE 62 62 18573 1 . CYS 63 63 18573 1 . ASN 64 64 18573 1 . ALA 65 65 18573 1 . ASN 66 66 18573 1 . PRO 67 67 18573 1 . GLY 68 68 18573 1 . LEU 69 69 18573 1 . MET 70 70 18573 1 . LYS 71 71 18573 1 . ASP 72 72 18573 1 . VAL 73 73 18573 1 . ALA 74 74 18573 1 . LYS 75 75 18573 1 . VAL 76 76 18573 1 . PHE 77 77 18573 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 18573 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 18573 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 18573 2 CA 'Three letter code' 18573 2 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 1 CA $chem_comp_CA 18573 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 18573 2 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 18573 _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 $Phl_p_7 . 15957 organism . 'Phleum pratense' monocots . . Eukaryota Viridiplantae Phleum pratense . . . . . . . . . . . . . . . . . . . . . 18573 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 18573 _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 $Phl_p_7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11 . . . . . . 18573 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18573 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18573 CA [Ca++] SMILES CACTVS 3.341 18573 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18573 CA [Ca+2] SMILES ACDLabs 10.04 18573 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18573 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18573 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18573 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18573 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18573 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18573 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18573 _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 'Phl p 7' '[U-98% 13C; U-98% 15N]' . . 1 $Phl_p_7 . . 3 . . mM 0.3 . . . 18573 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 1.5 . . . 18573 1 3 MES 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 18573 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % 1 . . . 18573 1 5 H2O 'natural abundance' . . . . . . 10 . . % 1 . . . 18573 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.01 . . . 18573 1 7 'calcium chloride' 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 18573 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 18573 _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' 160 3 mM 18573 1 pH 6.0 0.1 pH 18573 1 pressure 1 . atm 18573 1 temperature 293 0.5 K 18573 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18573 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18573 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18573 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18573 _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' . . 18573 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18573 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18573 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18573 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18573 3 'data analysis' 18573 3 'peak picking' 18573 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18573 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18573 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18573 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18573 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18573 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18573 5 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 18573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18573 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18573 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 18573 _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 . . . . . . . . . . . . . . . . 18573 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 3 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 4 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 8 '3D HCACOCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 15 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18573 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 18573 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18573 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18573 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18573 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18573 1 2 '2D 1H-13C HSQC' . . . 18573 1 3 '2D HBCBCGCDHD' . . . 18573 1 4 '2D HBCBCGCDCEHE' . . . 18573 1 5 '3D HNCA' . . . 18573 1 6 '3D HN(CO)CA' . . . 18573 1 7 '3D HNCO' . . . 18573 1 8 '3D HCACOCANH' . . . 18573 1 9 '3D CBCA(CO)NH' . . . 18573 1 10 '3D HNCACB' . . . 18573 1 11 '3D C(CO)NH' . . . 18573 1 12 '3D HBHA(CO)NH' . . . 18573 1 13 '3D H(CCO)NH' . . . 18573 1 14 '3D HCCH-TOCSY' . . . 18573 1 15 '3D 1H-15N TOCSY' . . . 18573 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.706 0.020 . 1 . . . A 2 ASP HA . 18573 1 2 . 1 1 2 2 ASP HB2 H 1 2.720 0.020 . 2 . . . A 2 ASP HB2 . 18573 1 3 . 1 1 2 2 ASP HB3 H 1 2.720 0.020 . 2 . . . A 2 ASP HB3 . 18573 1 4 . 1 1 2 2 ASP C C 13 176.100 0.400 . 1 . . . A 2 ASP C . 18573 1 5 . 1 1 2 2 ASP CA C 13 54.110 0.400 . 1 . . . A 2 ASP CA . 18573 1 6 . 1 1 2 2 ASP CB C 13 41.610 0.400 . 1 . . . A 2 ASP CB . 18573 1 7 . 1 1 3 3 ASP H H 1 8.569 0.020 . 1 . . . A 3 ASP H . 18573 1 8 . 1 1 3 3 ASP HA H 1 4.545 0.020 . 1 . . . A 3 ASP HA . 18573 1 9 . 1 1 3 3 ASP HB2 H 1 2.735 0.020 . 2 . . . A 3 ASP HB2 . 18573 1 10 . 1 1 3 3 ASP HB3 H 1 2.622 0.020 . 2 . . . A 3 ASP HB3 . 18573 1 11 . 1 1 3 3 ASP C C 13 177.300 0.400 . 1 . . . A 3 ASP C . 18573 1 12 . 1 1 3 3 ASP CA C 13 56.140 0.400 . 1 . . . A 3 ASP CA . 18573 1 13 . 1 1 3 3 ASP CB C 13 41.282 0.400 . 1 . . . A 3 ASP CB . 18573 1 14 . 1 1 3 3 ASP N N 15 121.030 0.400 . 1 . . . A 3 ASP N . 18573 1 15 . 1 1 4 4 MET H H 1 8.541 0.020 . 1 . . . A 4 MET H . 18573 1 16 . 1 1 4 4 MET HA H 1 4.404 0.020 . 1 . . . A 4 MET HA . 18573 1 17 . 1 1 4 4 MET HB2 H 1 2.410 0.020 . 2 . . . A 4 MET HB2 . 18573 1 18 . 1 1 4 4 MET HB3 H 1 2.077 0.020 . 2 . . . A 4 MET HB3 . 18573 1 19 . 1 1 4 4 MET HG2 H 1 2.810 0.020 . 2 . . . A 4 MET HG2 . 18573 1 20 . 1 1 4 4 MET HG3 H 1 2.640 0.020 . 2 . . . A 4 MET HG3 . 18573 1 21 . 1 1 4 4 MET HE1 H 1 2.020 0.020 . 1 . . . A 4 MET HE1 . 18573 1 22 . 1 1 4 4 MET HE2 H 1 2.020 0.020 . 1 . . . A 4 MET HE2 . 18573 1 23 . 1 1 4 4 MET HE3 H 1 2.020 0.020 . 1 . . . A 4 MET HE3 . 18573 1 24 . 1 1 4 4 MET C C 13 178.700 0.400 . 1 . . . A 4 MET C . 18573 1 25 . 1 1 4 4 MET CA C 13 58.480 0.400 . 1 . . . A 4 MET CA . 18573 1 26 . 1 1 4 4 MET CB C 13 32.410 0.400 . 1 . . . A 4 MET CB . 18573 1 27 . 1 1 4 4 MET CG C 13 33.100 0.400 . 1 . . . A 4 MET CG . 18573 1 28 . 1 1 4 4 MET CE C 13 18.150 0.400 . 1 . . . A 4 MET CE . 18573 1 29 . 1 1 4 4 MET N N 15 118.462 0.400 . 1 . . . A 4 MET N . 18573 1 30 . 1 1 5 5 GLU H H 1 8.541 0.020 . 1 . . . A 5 GLU H . 18573 1 31 . 1 1 5 5 GLU HA H 1 3.988 0.020 . 1 . . . A 5 GLU HA . 18573 1 32 . 1 1 5 5 GLU HB2 H 1 2.133 0.020 . 2 . . . A 5 GLU HB2 . 18573 1 33 . 1 1 5 5 GLU HB3 H 1 2.031 0.020 . 2 . . . A 5 GLU HB3 . 18573 1 34 . 1 1 5 5 GLU HG2 H 1 2.142 0.020 . 2 . . . A 5 GLU HG2 . 18573 1 35 . 1 1 5 5 GLU HG3 H 1 2.056 0.020 . 2 . . . A 5 GLU HG3 . 18573 1 36 . 1 1 5 5 GLU C C 13 178.000 0.400 . 1 . . . A 5 GLU C . 18573 1 37 . 1 1 5 5 GLU CA C 13 60.294 0.400 . 1 . . . A 5 GLU CA . 18573 1 38 . 1 1 5 5 GLU CB C 13 29.451 0.400 . 1 . . . A 5 GLU CB . 18573 1 39 . 1 1 5 5 GLU CG C 13 36.810 0.400 . 1 . . . A 5 GLU CG . 18573 1 40 . 1 1 5 5 GLU N N 15 120.261 0.400 . 1 . . . A 5 GLU N . 18573 1 41 . 1 1 6 6 ARG H H 1 7.852 0.020 . 1 . . . A 6 ARG H . 18573 1 42 . 1 1 6 6 ARG HA H 1 3.923 0.020 . 1 . . . A 6 ARG HA . 18573 1 43 . 1 1 6 6 ARG HB2 H 1 1.960 0.020 . 2 . . . A 6 ARG HB2 . 18573 1 44 . 1 1 6 6 ARG HB3 H 1 1.960 0.020 . 2 . . . A 6 ARG HB3 . 18573 1 45 . 1 1 6 6 ARG HG2 H 1 1.695 0.020 . 2 . . . A 6 ARG HG2 . 18573 1 46 . 1 1 6 6 ARG HG3 H 1 1.439 0.020 . 2 . . . A 6 ARG HG3 . 18573 1 47 . 1 1 6 6 ARG HD2 H 1 3.260 0.020 . 2 . . . A 6 ARG HD2 . 18573 1 48 . 1 1 6 6 ARG HD3 H 1 3.143 0.020 . 2 . . . A 6 ARG HD3 . 18573 1 49 . 1 1 6 6 ARG C C 13 179.300 0.400 . 1 . . . A 6 ARG C . 18573 1 50 . 1 1 6 6 ARG CA C 13 59.571 0.400 . 1 . . . A 6 ARG CA . 18573 1 51 . 1 1 6 6 ARG CB C 13 30.201 0.400 . 1 . . . A 6 ARG CB . 18573 1 52 . 1 1 6 6 ARG CG C 13 27.900 0.400 . 1 . . . A 6 ARG CG . 18573 1 53 . 1 1 6 6 ARG CD C 13 43.070 0.400 . 1 . . . A 6 ARG CD . 18573 1 54 . 1 1 6 6 ARG N N 15 119.039 0.400 . 1 . . . A 6 ARG N . 18573 1 55 . 1 1 7 7 ILE H H 1 7.946 0.020 . 1 . . . A 7 ILE H . 18573 1 56 . 1 1 7 7 ILE HA H 1 3.473 0.020 . 1 . . . A 7 ILE HA . 18573 1 57 . 1 1 7 7 ILE HB H 1 1.955 0.020 . 1 . . . A 7 ILE HB . 18573 1 58 . 1 1 7 7 ILE HG12 H 1 1.802 0.020 . 2 . . . A 7 ILE HG12 . 18573 1 59 . 1 1 7 7 ILE HG13 H 1 1.130 0.020 . 2 . . . A 7 ILE HG13 . 18573 1 60 . 1 1 7 7 ILE HG21 H 1 0.717 0.020 . 1 . . . A 7 ILE HG21 . 18573 1 61 . 1 1 7 7 ILE HG22 H 1 0.717 0.020 . 1 . . . A 7 ILE HG22 . 18573 1 62 . 1 1 7 7 ILE HG23 H 1 0.717 0.020 . 1 . . . A 7 ILE HG23 . 18573 1 63 . 1 1 7 7 ILE HD11 H 1 0.848 0.020 . 1 . . . A 7 ILE HD11 . 18573 1 64 . 1 1 7 7 ILE HD12 H 1 0.848 0.020 . 1 . . . A 7 ILE HD12 . 18573 1 65 . 1 1 7 7 ILE HD13 H 1 0.848 0.020 . 1 . . . A 7 ILE HD13 . 18573 1 66 . 1 1 7 7 ILE C C 13 178.700 0.400 . 1 . . . A 7 ILE C . 18573 1 67 . 1 1 7 7 ILE CA C 13 64.850 0.400 . 1 . . . A 7 ILE CA . 18573 1 68 . 1 1 7 7 ILE CB C 13 38.050 0.400 . 1 . . . A 7 ILE CB . 18573 1 69 . 1 1 7 7 ILE CG1 C 13 28.970 0.400 . 1 . . . A 7 ILE CG1 . 18573 1 70 . 1 1 7 7 ILE CG2 C 13 18.680 0.400 . 1 . . . A 7 ILE CG2 . 18573 1 71 . 1 1 7 7 ILE CD1 C 13 13.290 0.400 . 1 . . . A 7 ILE CD1 . 18573 1 72 . 1 1 7 7 ILE N N 15 119.161 0.400 . 1 . . . A 7 ILE N . 18573 1 73 . 1 1 8 8 PHE H H 1 8.358 0.020 . 1 . . . A 8 PHE H . 18573 1 74 . 1 1 8 8 PHE HA H 1 3.041 0.020 . 1 . . . A 8 PHE HA . 18573 1 75 . 1 1 8 8 PHE HB2 H 1 2.889 0.020 . 2 . . . A 8 PHE HB2 . 18573 1 76 . 1 1 8 8 PHE HB3 H 1 2.901 0.020 . 2 . . . A 8 PHE HB3 . 18573 1 77 . 1 1 8 8 PHE C C 13 176.900 0.400 . 1 . . . A 8 PHE C . 18573 1 78 . 1 1 8 8 PHE CA C 13 62.439 0.400 . 1 . . . A 8 PHE CA . 18573 1 79 . 1 1 8 8 PHE CB C 13 37.981 0.400 . 1 . . . A 8 PHE CB . 18573 1 80 . 1 1 8 8 PHE N N 15 120.661 0.400 . 1 . . . A 8 PHE N . 18573 1 81 . 1 1 9 9 LYS H H 1 8.001 0.020 . 1 . . . A 9 LYS H . 18573 1 82 . 1 1 9 9 LYS HA H 1 3.898 0.020 . 1 . . . A 9 LYS HA . 18573 1 83 . 1 1 9 9 LYS HB2 H 1 1.837 0.020 . 2 . . . A 9 LYS HB2 . 18573 1 84 . 1 1 9 9 LYS HB3 H 1 1.837 0.020 . 2 . . . A 9 LYS HB3 . 18573 1 85 . 1 1 9 9 LYS HG2 H 1 1.778 0.020 . 2 . . . A 9 LYS HG2 . 18573 1 86 . 1 1 9 9 LYS HG3 H 1 1.538 0.020 . 2 . . . A 9 LYS HG3 . 18573 1 87 . 1 1 9 9 LYS HD2 H 1 1.640 0.020 . 2 . . . A 9 LYS HD2 . 18573 1 88 . 1 1 9 9 LYS HD3 H 1 1.640 0.020 . 2 . . . A 9 LYS HD3 . 18573 1 89 . 1 1 9 9 LYS HE2 H 1 2.903 0.020 . 2 . . . A 9 LYS HE2 . 18573 1 90 . 1 1 9 9 LYS HE3 H 1 2.903 0.020 . 2 . . . A 9 LYS HE3 . 18573 1 91 . 1 1 9 9 LYS C C 13 178.400 0.400 . 1 . . . A 9 LYS C . 18573 1 92 . 1 1 9 9 LYS CA C 13 59.530 0.400 . 1 . . . A 9 LYS CA . 18573 1 93 . 1 1 9 9 LYS CB C 13 32.620 0.400 . 1 . . . A 9 LYS CB . 18573 1 94 . 1 1 9 9 LYS CG C 13 26.260 0.400 . 1 . . . A 9 LYS CG . 18573 1 95 . 1 1 9 9 LYS CD C 13 29.440 0.400 . 1 . . . A 9 LYS CD . 18573 1 96 . 1 1 9 9 LYS CE C 13 42.180 0.400 . 1 . . . A 9 LYS CE . 18573 1 97 . 1 1 9 9 LYS N N 15 115.135 0.400 . 1 . . . A 9 LYS N . 18573 1 98 . 1 1 10 10 ARG H H 1 7.498 0.020 . 1 . . . A 10 ARG H . 18573 1 99 . 1 1 10 10 ARG HA H 1 4.012 0.020 . 1 . . . A 10 ARG HA . 18573 1 100 . 1 1 10 10 ARG HB2 H 1 1.902 0.020 . 2 . . . A 10 ARG HB2 . 18573 1 101 . 1 1 10 10 ARG HB3 H 1 1.796 0.020 . 2 . . . A 10 ARG HB3 . 18573 1 102 . 1 1 10 10 ARG HG2 H 1 1.539 0.020 . 2 . . . A 10 ARG HG2 . 18573 1 103 . 1 1 10 10 ARG HG3 H 1 1.539 0.020 . 2 . . . A 10 ARG HG3 . 18573 1 104 . 1 1 10 10 ARG HD2 H 1 3.092 0.020 . 2 . . . A 10 ARG HD2 . 18573 1 105 . 1 1 10 10 ARG HD3 H 1 3.145 0.020 . 2 . . . A 10 ARG HD3 . 18573 1 106 . 1 1 10 10 ARG C C 13 178.300 0.400 . 1 . . . A 10 ARG C . 18573 1 107 . 1 1 10 10 ARG CA C 13 57.040 0.400 . 1 . . . A 10 ARG CA . 18573 1 108 . 1 1 10 10 ARG CB C 13 29.040 0.400 . 1 . . . A 10 ARG CB . 18573 1 109 . 1 1 10 10 ARG CG C 13 26.730 0.400 . 1 . . . A 10 ARG CG . 18573 1 110 . 1 1 10 10 ARG CD C 13 42.210 0.400 . 1 . . . A 10 ARG CD . 18573 1 111 . 1 1 10 10 ARG N N 15 117.585 0.400 . 1 . . . A 10 ARG N . 18573 1 112 . 1 1 11 11 PHE H H 1 7.784 0.020 . 1 . . . A 11 PHE H . 18573 1 113 . 1 1 11 11 PHE HA H 1 4.294 0.020 . 1 . . . A 11 PHE HA . 18573 1 114 . 1 1 11 11 PHE HB2 H 1 2.477 0.020 . 2 . . . A 11 PHE HB2 . 18573 1 115 . 1 1 11 11 PHE HB3 H 1 2.866 0.020 . 2 . . . A 11 PHE HB3 . 18573 1 116 . 1 1 11 11 PHE HD1 H 1 6.912 0.020 . 3 . . . A 11 PHE HD1 . 18573 1 117 . 1 1 11 11 PHE HD2 H 1 6.912 0.020 . 3 . . . A 11 PHE HD2 . 18573 1 118 . 1 1 11 11 PHE HE1 H 1 6.822 0.020 . 3 . . . A 11 PHE HE1 . 18573 1 119 . 1 1 11 11 PHE HE2 H 1 6.822 0.020 . 3 . . . A 11 PHE HE2 . 18573 1 120 . 1 1 11 11 PHE C C 13 177.300 0.400 . 1 . . . A 11 PHE C . 18573 1 121 . 1 1 11 11 PHE CA C 13 57.980 0.400 . 1 . . . A 11 PHE CA . 18573 1 122 . 1 1 11 11 PHE CB C 13 39.030 0.400 . 1 . . . A 11 PHE CB . 18573 1 123 . 1 1 11 11 PHE N N 15 118.447 0.400 . 1 . . . A 11 PHE N . 18573 1 124 . 1 1 12 12 ASP H H 1 7.609 0.020 . . . . . A 12 ASP H . 18573 1 125 . 1 1 12 12 ASP HA H 1 4.450 0.020 . . . . . A 12 ASP HA . 18573 1 126 . 1 1 12 12 ASP HB2 H 1 2.490 0.020 . . . . . A 12 ASP HB2 . 18573 1 127 . 1 1 12 12 ASP HB3 H 1 1.550 0.020 . . . . . A 12 ASP HB3 . 18573 1 128 . 1 1 12 12 ASP C C 13 176.700 0.400 . . . . . A 12 ASP C . 18573 1 129 . 1 1 12 12 ASP CA C 13 52.280 0.400 . . . . . A 12 ASP CA . 18573 1 130 . 1 1 12 12 ASP CB C 13 38.950 0.400 . . . . . A 12 ASP CB . 18573 1 131 . 1 1 12 12 ASP N N 15 118.235 0.400 . . . . . A 12 ASP N . 18573 1 132 . 1 1 13 13 THR H H 1 7.949 0.020 . 1 . . . A 13 THR H . 18573 1 133 . 1 1 13 13 THR HA H 1 3.898 0.020 . 1 . . . A 13 THR HA . 18573 1 134 . 1 1 13 13 THR HB H 1 4.134 0.020 . 1 . . . A 13 THR HB . 18573 1 135 . 1 1 13 13 THR HG21 H 1 1.276 0.020 . 1 . . . A 13 THR HG21 . 18573 1 136 . 1 1 13 13 THR HG22 H 1 1.276 0.020 . 1 . . . A 13 THR HG22 . 18573 1 137 . 1 1 13 13 THR HG23 H 1 1.276 0.020 . 1 . . . A 13 THR HG23 . 18573 1 138 . 1 1 13 13 THR C C 13 179.300 0.400 . 1 . . . A 13 THR C . 18573 1 139 . 1 1 13 13 THR CA C 13 65.420 0.400 . 1 . . . A 13 THR CA . 18573 1 140 . 1 1 13 13 THR CB C 13 68.870 0.400 . 1 . . . A 13 THR CB . 18573 1 141 . 1 1 13 13 THR CG2 C 13 22.480 0.400 . 1 . . . A 13 THR CG2 . 18573 1 142 . 1 1 13 13 THR N N 15 119.061 0.400 . 1 . . . A 13 THR N . 18573 1 143 . 1 1 14 14 ASN H H 1 8.104 0.020 . 1 . . . A 14 ASN H . 18573 1 144 . 1 1 14 14 ASN HA H 1 4.790 0.020 . 1 . . . A 14 ASN HA . 18573 1 145 . 1 1 14 14 ASN HB2 H 1 3.310 0.020 . 2 . . . A 14 ASN HB2 . 18573 1 146 . 1 1 14 14 ASN HB3 H 1 2.893 0.020 . 2 . . . A 14 ASN HB3 . 18573 1 147 . 1 1 14 14 ASN HD21 H 1 8.010 0.020 . 2 . . . A 14 ASN HD21 . 18573 1 148 . 1 1 14 14 ASN HD22 H 1 6.501 0.020 . 2 . . . A 14 ASN HD22 . 18573 1 149 . 1 1 14 14 ASN C C 13 176.700 0.400 . 1 . . . A 14 ASN C . 18573 1 150 . 1 1 14 14 ASN CA C 13 52.020 0.400 . 1 . . . A 14 ASN CA . 18573 1 151 . 1 1 14 14 ASN CB C 13 37.280 0.400 . 1 . . . A 14 ASN CB . 18573 1 152 . 1 1 14 14 ASN N N 15 115.648 0.400 . 1 . . . A 14 ASN N . 18573 1 153 . 1 1 14 14 ASN ND2 N 15 112.551 0.400 . 1 . . . A 14 ASN ND2 . 18573 1 154 . 1 1 15 15 GLY H H 1 7.714 0.020 . 1 . . . A 15 GLY H . 18573 1 155 . 1 1 15 15 GLY HA2 H 1 3.831 0.020 . 2 . . . A 15 GLY HA2 . 18573 1 156 . 1 1 15 15 GLY HA3 H 1 3.831 0.020 . 2 . . . A 15 GLY HA3 . 18573 1 157 . 1 1 15 15 GLY C C 13 174.900 0.400 . 1 . . . A 15 GLY C . 18573 1 158 . 1 1 15 15 GLY CA C 13 47.490 0.400 . 1 . . . A 15 GLY CA . 18573 1 159 . 1 1 15 15 GLY N N 15 109.565 0.400 . 1 . . . A 15 GLY N . 18573 1 160 . 1 1 16 16 ASP H H 1 8.052 0.020 . 1 . . . A 16 ASP H . 18573 1 161 . 1 1 16 16 ASP HA H 1 4.469 0.020 . 1 . . . A 16 ASP HA . 18573 1 162 . 1 1 16 16 ASP HB2 H 1 2.999 0.020 . 2 . . . A 16 ASP HB2 . 18573 1 163 . 1 1 16 16 ASP HB3 H 1 2.372 0.020 . 2 . . . A 16 ASP HB3 . 18573 1 164 . 1 1 16 16 ASP C C 13 177.500 0.400 . 1 . . . A 16 ASP C . 18573 1 165 . 1 1 16 16 ASP CA C 13 53.488 0.400 . 1 . . . A 16 ASP CA . 18573 1 166 . 1 1 16 16 ASP CB C 13 40.244 0.400 . 1 . . . A 16 ASP CB . 18573 1 167 . 1 1 16 16 ASP N N 15 119.354 0.400 . 1 . . . A 16 ASP N . 18573 1 168 . 1 1 17 17 GLY H H 1 10.468 0.020 . 1 . . . A 17 GLY H . 18573 1 169 . 1 1 17 17 GLY HA2 H 1 4.197 0.020 . 2 . . . A 17 GLY HA2 . 18573 1 170 . 1 1 17 17 GLY HA3 H 1 3.606 0.020 . 2 . . . A 17 GLY HA3 . 18573 1 171 . 1 1 17 17 GLY C C 13 172.800 0.400 . 1 . . . A 17 GLY C . 18573 1 172 . 1 1 17 17 GLY CA C 13 45.670 0.400 . 1 . . . A 17 GLY CA . 18573 1 173 . 1 1 17 17 GLY N N 15 112.838 0.400 . 1 . . . A 17 GLY N . 18573 1 174 . 1 1 18 18 LYS H H 1 7.863 0.020 . 1 . . . A 18 LYS H . 18573 1 175 . 1 1 18 18 LYS HA H 1 5.145 0.020 . 1 . . . A 18 LYS HA . 18573 1 176 . 1 1 18 18 LYS HB2 H 1 1.530 0.020 . 2 . . . A 18 LYS HB2 . 18573 1 177 . 1 1 18 18 LYS HB3 H 1 1.475 0.020 . 2 . . . A 18 LYS HB3 . 18573 1 178 . 1 1 18 18 LYS HG2 H 1 1.094 0.020 . 2 . . . A 18 LYS HG2 . 18573 1 179 . 1 1 18 18 LYS HG3 H 1 0.967 0.020 . 2 . . . A 18 LYS HG3 . 18573 1 180 . 1 1 18 18 LYS HD2 H 1 0.860 0.020 . 2 . . . A 18 LYS HD2 . 18573 1 181 . 1 1 18 18 LYS HD3 H 1 1.172 0.020 . 2 . . . A 18 LYS HD3 . 18573 1 182 . 1 1 18 18 LYS HE2 H 1 2.079 0.020 . 2 . . . A 18 LYS HE2 . 18573 1 183 . 1 1 18 18 LYS HE3 H 1 2.386 0.020 . 2 . . . A 18 LYS HE3 . 18573 1 184 . 1 1 18 18 LYS C C 13 174.700 0.400 . 1 . . . A 18 LYS C . 18573 1 185 . 1 1 18 18 LYS CA C 13 54.030 0.400 . 1 . . . A 18 LYS CA . 18573 1 186 . 1 1 18 18 LYS CB C 13 36.440 0.400 . 1 . . . A 18 LYS CB . 18573 1 187 . 1 1 18 18 LYS CG C 13 23.920 0.400 . 1 . . . A 18 LYS CG . 18573 1 188 . 1 1 18 18 LYS CD C 13 28.920 0.400 . 1 . . . A 18 LYS CD . 18573 1 189 . 1 1 18 18 LYS CE C 13 41.840 0.400 . 1 . . . A 18 LYS CE . 18573 1 190 . 1 1 18 18 LYS N N 15 117.098 0.400 . 1 . . . A 18 LYS N . 18573 1 191 . 1 1 19 19 ILE H H 1 9.951 0.020 . 1 . . . A 19 ILE H . 18573 1 192 . 1 1 19 19 ILE HA H 1 5.014 0.020 . 1 . . . A 19 ILE HA . 18573 1 193 . 1 1 19 19 ILE HB H 1 1.910 0.020 . 1 . . . A 19 ILE HB . 18573 1 194 . 1 1 19 19 ILE HG12 H 1 1.010 0.020 . 2 . . . A 19 ILE HG12 . 18573 1 195 . 1 1 19 19 ILE HG13 H 1 0.240 0.020 . 2 . . . A 19 ILE HG13 . 18573 1 196 . 1 1 19 19 ILE HG21 H 1 0.956 0.020 . 1 . . . A 19 ILE HG21 . 18573 1 197 . 1 1 19 19 ILE HG22 H 1 0.956 0.020 . 1 . . . A 19 ILE HG22 . 18573 1 198 . 1 1 19 19 ILE HG23 H 1 0.956 0.020 . 1 . . . A 19 ILE HG23 . 18573 1 199 . 1 1 19 19 ILE HD11 H 1 0.187 0.020 . 1 . . . A 19 ILE HD11 . 18573 1 200 . 1 1 19 19 ILE HD12 H 1 0.187 0.020 . 1 . . . A 19 ILE HD12 . 18573 1 201 . 1 1 19 19 ILE HD13 H 1 0.187 0.020 . 1 . . . A 19 ILE HD13 . 18573 1 202 . 1 1 19 19 ILE C C 13 176.000 0.400 . 1 . . . A 19 ILE C . 18573 1 203 . 1 1 19 19 ILE CA C 13 60.079 0.400 . 1 . . . A 19 ILE CA . 18573 1 204 . 1 1 19 19 ILE CB C 13 38.945 0.400 . 1 . . . A 19 ILE CB . 18573 1 205 . 1 1 19 19 ILE CG1 C 13 27.020 0.400 . 1 . . . A 19 ILE CG1 . 18573 1 206 . 1 1 19 19 ILE CG2 C 13 18.110 0.400 . 1 . . . A 19 ILE CG2 . 18573 1 207 . 1 1 19 19 ILE CD1 C 13 14.980 0.400 . 1 . . . A 19 ILE CD1 . 18573 1 208 . 1 1 19 19 ILE N N 15 125.981 0.400 . 1 . . . A 19 ILE N . 18573 1 209 . 1 1 20 20 SER H H 1 9.318 0.020 . 1 . . . A 20 SER H . 18573 1 210 . 1 1 20 20 SER HA H 1 4.721 0.020 . 1 . . . A 20 SER HA . 18573 1 211 . 1 1 20 20 SER HB2 H 1 4.409 0.020 . 2 . . . A 20 SER HB2 . 18573 1 212 . 1 1 20 20 SER HB3 H 1 4.134 0.020 . 2 . . . A 20 SER HB3 . 18573 1 213 . 1 1 20 20 SER C C 13 174.400 0.400 . 1 . . . A 20 SER C . 18573 1 214 . 1 1 20 20 SER CA C 13 56.250 0.400 . 1 . . . A 20 SER CA . 18573 1 215 . 1 1 20 20 SER CB C 13 66.496 0.400 . 1 . . . A 20 SER CB . 18573 1 216 . 1 1 20 20 SER N N 15 124.766 0.400 . 1 . . . A 20 SER N . 18573 1 217 . 1 1 21 21 LEU H H 1 9.078 0.020 . 1 . . . A 21 LEU H . 18573 1 218 . 1 1 21 21 LEU HA H 1 4.091 0.020 . 1 . . . A 21 LEU HA . 18573 1 219 . 1 1 21 21 LEU HB2 H 1 1.755 0.020 . 2 . . . A 21 LEU HB2 . 18573 1 220 . 1 1 21 21 LEU HB3 H 1 1.588 0.020 . 2 . . . A 21 LEU HB3 . 18573 1 221 . 1 1 21 21 LEU HG H 1 1.448 0.020 . 1 . . . A 21 LEU HG . 18573 1 222 . 1 1 21 21 LEU HD11 H 1 0.859 0.020 . 2 . . . A 21 LEU HD11 . 18573 1 223 . 1 1 21 21 LEU HD12 H 1 0.859 0.020 . 2 . . . A 21 LEU HD12 . 18573 1 224 . 1 1 21 21 LEU HD13 H 1 0.859 0.020 . 2 . . . A 21 LEU HD13 . 18573 1 225 . 1 1 21 21 LEU HD21 H 1 0.824 0.020 . 2 . . . A 21 LEU HD21 . 18573 1 226 . 1 1 21 21 LEU HD22 H 1 0.824 0.020 . 2 . . . A 21 LEU HD22 . 18573 1 227 . 1 1 21 21 LEU HD23 H 1 0.824 0.020 . 2 . . . A 21 LEU HD23 . 18573 1 228 . 1 1 21 21 LEU C C 13 180.700 0.400 . 1 . . . A 21 LEU C . 18573 1 229 . 1 1 21 21 LEU CA C 13 58.744 0.400 . 1 . . . A 21 LEU CA . 18573 1 230 . 1 1 21 21 LEU CB C 13 41.193 0.400 . 1 . . . A 21 LEU CB . 18573 1 231 . 1 1 21 21 LEU CG C 13 27.250 0.400 . 1 . . . A 21 LEU CG . 18573 1 232 . 1 1 21 21 LEU CD1 C 13 25.580 0.400 . 2 . . . A 21 LEU CD1 . 18573 1 233 . 1 1 21 21 LEU CD2 C 13 23.260 0.400 . 2 . . . A 21 LEU CD2 . 18573 1 234 . 1 1 21 21 LEU N N 15 122.159 0.400 . 1 . . . A 21 LEU N . 18573 1 235 . 1 1 22 22 SER H H 1 8.701 0.020 . 1 . . . A 22 SER H . 18573 1 236 . 1 1 22 22 SER HA H 1 4.076 0.020 . 1 . . . A 22 SER HA . 18573 1 237 . 1 1 22 22 SER HB2 H 1 3.859 0.020 . 2 . . . A 22 SER HB2 . 18573 1 238 . 1 1 22 22 SER HB3 H 1 3.859 0.020 . 2 . . . A 22 SER HB3 . 18573 1 239 . 1 1 22 22 SER C C 13 176.700 0.400 . 1 . . . A 22 SER C . 18573 1 240 . 1 1 22 22 SER CA C 13 61.960 0.400 . 1 . . . A 22 SER CA . 18573 1 241 . 1 1 22 22 SER CB C 13 62.000 0.400 . 1 . . . A 22 SER CB . 18573 1 242 . 1 1 22 22 SER N N 15 117.422 0.400 . 1 . . . A 22 SER N . 18573 1 243 . 1 1 23 23 GLU H H 1 7.628 0.020 . 1 . . . A 23 GLU H . 18573 1 244 . 1 1 23 23 GLU HA H 1 4.212 0.020 . 1 . . . A 23 GLU HA . 18573 1 245 . 1 1 23 23 GLU HB2 H 1 2.412 0.020 . 2 . . . A 23 GLU HB2 . 18573 1 246 . 1 1 23 23 GLU HB3 H 1 2.412 0.020 . 2 . . . A 23 GLU HB3 . 18573 1 247 . 1 1 23 23 GLU HG2 H 1 2.420 0.020 . 2 . . . A 23 GLU HG2 . 18573 1 248 . 1 1 23 23 GLU HG3 H 1 2.610 0.020 . 2 . . . A 23 GLU HG3 . 18573 1 249 . 1 1 23 23 GLU C C 13 180.600 0.400 . 1 . . . A 23 GLU C . 18573 1 250 . 1 1 23 23 GLU CA C 13 58.588 0.400 . 1 . . . A 23 GLU CA . 18573 1 251 . 1 1 23 23 GLU CB C 13 29.286 0.400 . 1 . . . A 23 GLU CB . 18573 1 252 . 1 1 23 23 GLU CG C 13 36.420 0.400 . 1 . . . A 23 GLU CG . 18573 1 253 . 1 1 23 23 GLU N N 15 123.261 0.400 . 1 . . . A 23 GLU N . 18573 1 254 . 1 1 24 24 LEU H H 1 9.045 0.020 . 1 . . . A 24 LEU H . 18573 1 255 . 1 1 24 24 LEU HA H 1 3.852 0.020 . 1 . . . A 24 LEU HA . 18573 1 256 . 1 1 24 24 LEU HB2 H 1 1.944 0.020 . 2 . . . A 24 LEU HB2 . 18573 1 257 . 1 1 24 24 LEU HB3 H 1 1.356 0.020 . 2 . . . A 24 LEU HB3 . 18573 1 258 . 1 1 24 24 LEU HG H 1 1.590 0.020 . 1 . . . A 24 LEU HG . 18573 1 259 . 1 1 24 24 LEU HD11 H 1 0.772 0.020 . 2 . . . A 24 LEU HD11 . 18573 1 260 . 1 1 24 24 LEU HD12 H 1 0.772 0.020 . 2 . . . A 24 LEU HD12 . 18573 1 261 . 1 1 24 24 LEU HD13 H 1 0.772 0.020 . 2 . . . A 24 LEU HD13 . 18573 1 262 . 1 1 24 24 LEU HD21 H 1 0.783 0.020 . 2 . . . A 24 LEU HD21 . 18573 1 263 . 1 1 24 24 LEU HD22 H 1 0.783 0.020 . 2 . . . A 24 LEU HD22 . 18573 1 264 . 1 1 24 24 LEU HD23 H 1 0.783 0.020 . 2 . . . A 24 LEU HD23 . 18573 1 265 . 1 1 24 24 LEU C C 13 177.700 0.400 . 1 . . . A 24 LEU C . 18573 1 266 . 1 1 24 24 LEU CA C 13 58.087 0.400 . 1 . . . A 24 LEU CA . 18573 1 267 . 1 1 24 24 LEU CB C 13 41.797 0.400 . 1 . . . A 24 LEU CB . 18573 1 268 . 1 1 24 24 LEU CG C 13 26.340 0.400 . 1 . . . A 24 LEU CG . 18573 1 269 . 1 1 24 24 LEU CD1 C 13 26.600 0.400 . 2 . . . A 24 LEU CD1 . 18573 1 270 . 1 1 24 24 LEU CD2 C 13 21.810 0.400 . 2 . . . A 24 LEU CD2 . 18573 1 271 . 1 1 24 24 LEU N N 15 123.396 0.400 . 1 . . . A 24 LEU N . 18573 1 272 . 1 1 25 25 THR H H 1 8.348 0.020 . 1 . . . A 25 THR H . 18573 1 273 . 1 1 25 25 THR HA H 1 3.677 0.020 . 1 . . . A 25 THR HA . 18573 1 274 . 1 1 25 25 THR HB H 1 4.404 0.020 . 1 . . . A 25 THR HB . 18573 1 275 . 1 1 25 25 THR HG21 H 1 1.154 0.020 . 1 . . . A 25 THR HG21 . 18573 1 276 . 1 1 25 25 THR HG22 H 1 1.154 0.020 . 1 . . . A 25 THR HG22 . 18573 1 277 . 1 1 25 25 THR HG23 H 1 1.154 0.020 . 1 . . . A 25 THR HG23 . 18573 1 278 . 1 1 25 25 THR C C 13 175.900 0.400 . 1 . . . A 25 THR C . 18573 1 279 . 1 1 25 25 THR CA C 13 67.430 0.400 . 1 . . . A 25 THR CA . 18573 1 280 . 1 1 25 25 THR CB C 13 68.560 0.400 . 1 . . . A 25 THR CB . 18573 1 281 . 1 1 25 25 THR CG2 C 13 20.580 0.400 . 1 . . . A 25 THR CG2 . 18573 1 282 . 1 1 25 25 THR N N 15 115.198 0.400 . 1 . . . A 25 THR N . 18573 1 283 . 1 1 26 26 ASP H H 1 7.862 0.020 . 1 . . . A 26 ASP H . 18573 1 284 . 1 1 26 26 ASP HA H 1 4.286 0.020 . 1 . . . A 26 ASP HA . 18573 1 285 . 1 1 26 26 ASP HB2 H 1 2.634 0.020 . 2 . . . A 26 ASP HB2 . 18573 1 286 . 1 1 26 26 ASP HB3 H 1 2.634 0.020 . 2 . . . A 26 ASP HB3 . 18573 1 287 . 1 1 26 26 ASP C C 13 178.500 0.400 . 1 . . . A 26 ASP C . 18573 1 288 . 1 1 26 26 ASP CA C 13 57.481 0.400 . 1 . . . A 26 ASP CA . 18573 1 289 . 1 1 26 26 ASP CB C 13 40.600 0.400 . 1 . . . A 26 ASP CB . 18573 1 290 . 1 1 26 26 ASP N N 15 120.994 0.400 . 1 . . . A 26 ASP N . 18573 1 291 . 1 1 27 27 ALA H H 1 7.737 0.020 . 1 . . . A 27 ALA H . 18573 1 292 . 1 1 27 27 ALA HA H 1 3.883 0.020 . 1 . . . A 27 ALA HA . 18573 1 293 . 1 1 27 27 ALA HB1 H 1 0.545 0.020 . 1 . . . A 27 ALA HB1 . 18573 1 294 . 1 1 27 27 ALA HB2 H 1 0.545 0.020 . 1 . . . A 27 ALA HB2 . 18573 1 295 . 1 1 27 27 ALA HB3 H 1 0.545 0.020 . 1 . . . A 27 ALA HB3 . 18573 1 296 . 1 1 27 27 ALA C C 13 179.900 0.400 . 1 . . . A 27 ALA C . 18573 1 297 . 1 1 27 27 ALA CA C 13 55.234 0.400 . 1 . . . A 27 ALA CA . 18573 1 298 . 1 1 27 27 ALA CB C 13 17.299 0.400 . 1 . . . A 27 ALA CB . 18573 1 299 . 1 1 27 27 ALA N N 15 122.010 0.400 . 1 . . . A 27 ALA N . 18573 1 300 . 1 1 28 28 LEU H H 1 8.384 0.020 . 1 . . . A 28 LEU H . 18573 1 301 . 1 1 28 28 LEU HA H 1 4.004 0.020 . 1 . . . A 28 LEU HA . 18573 1 302 . 1 1 28 28 LEU HB2 H 1 1.800 0.020 . 2 . . . A 28 LEU HB2 . 18573 1 303 . 1 1 28 28 LEU HB3 H 1 1.518 0.020 . 2 . . . A 28 LEU HB3 . 18573 1 304 . 1 1 28 28 LEU HG H 1 1.890 0.020 . 1 . . . A 28 LEU HG . 18573 1 305 . 1 1 28 28 LEU HD11 H 1 0.896 0.020 . 2 . . . A 28 LEU HD11 . 18573 1 306 . 1 1 28 28 LEU HD12 H 1 0.896 0.020 . 2 . . . A 28 LEU HD12 . 18573 1 307 . 1 1 28 28 LEU HD13 H 1 0.896 0.020 . 2 . . . A 28 LEU HD13 . 18573 1 308 . 1 1 28 28 LEU HD21 H 1 0.856 0.020 . 2 . . . A 28 LEU HD21 . 18573 1 309 . 1 1 28 28 LEU HD22 H 1 0.856 0.020 . 2 . . . A 28 LEU HD22 . 18573 1 310 . 1 1 28 28 LEU HD23 H 1 0.856 0.020 . 2 . . . A 28 LEU HD23 . 18573 1 311 . 1 1 28 28 LEU C C 13 178.400 0.400 . 1 . . . A 28 LEU C . 18573 1 312 . 1 1 28 28 LEU CA C 13 57.640 0.400 . 1 . . . A 28 LEU CA . 18573 1 313 . 1 1 28 28 LEU CB C 13 40.150 0.400 . 1 . . . A 28 LEU CB . 18573 1 314 . 1 1 28 28 LEU CG C 13 27.820 0.400 . 1 . . . A 28 LEU CG . 18573 1 315 . 1 1 28 28 LEU CD1 C 13 26.080 0.400 . 2 . . . A 28 LEU CD1 . 18573 1 316 . 1 1 28 28 LEU CD2 C 13 21.730 0.400 . 2 . . . A 28 LEU CD2 . 18573 1 317 . 1 1 28 28 LEU N N 15 116.600 0.400 . 1 . . . A 28 LEU N . 18573 1 318 . 1 1 29 29 ARG H H 1 8.116 0.020 . 1 . . . A 29 ARG H . 18573 1 319 . 1 1 29 29 ARG HA H 1 4.231 0.020 . 1 . . . A 29 ARG HA . 18573 1 320 . 1 1 29 29 ARG HB2 H 1 1.955 0.020 . 2 . . . A 29 ARG HB2 . 18573 1 321 . 1 1 29 29 ARG HB3 H 1 1.955 0.020 . 2 . . . A 29 ARG HB3 . 18573 1 322 . 1 1 29 29 ARG HG2 H 1 1.768 0.020 . 2 . . . A 29 ARG HG2 . 18573 1 323 . 1 1 29 29 ARG HG3 H 1 1.618 0.020 . 2 . . . A 29 ARG HG3 . 18573 1 324 . 1 1 29 29 ARG HD2 H 1 3.192 0.020 . 2 . . . A 29 ARG HD2 . 18573 1 325 . 1 1 29 29 ARG HD3 H 1 3.192 0.020 . 2 . . . A 29 ARG HD3 . 18573 1 326 . 1 1 29 29 ARG C C 13 179.300 0.400 . 1 . . . A 29 ARG C . 18573 1 327 . 1 1 29 29 ARG CA C 13 59.365 0.400 . 1 . . . A 29 ARG CA . 18573 1 328 . 1 1 29 29 ARG CB C 13 29.628 0.400 . 1 . . . A 29 ARG CB . 18573 1 329 . 1 1 29 29 ARG CG C 13 28.160 0.400 . 1 . . . A 29 ARG CG . 18573 1 330 . 1 1 29 29 ARG CD C 13 43.460 0.400 . 1 . . . A 29 ARG CD . 18573 1 331 . 1 1 29 29 ARG N N 15 120.210 0.400 . 1 . . . A 29 ARG N . 18573 1 332 . 1 1 30 30 THR H H 1 7.664 0.020 . 1 . . . A 30 THR H . 18573 1 333 . 1 1 30 30 THR HA H 1 4.009 0.020 . 1 . . . A 30 THR HA . 18573 1 334 . 1 1 30 30 THR HB H 1 4.404 0.020 . 1 . . . A 30 THR HB . 18573 1 335 . 1 1 30 30 THR HG21 H 1 1.186 0.020 . 1 . . . A 30 THR HG21 . 18573 1 336 . 1 1 30 30 THR HG22 H 1 1.186 0.020 . 1 . . . A 30 THR HG22 . 18573 1 337 . 1 1 30 30 THR HG23 H 1 1.186 0.020 . 1 . . . A 30 THR HG23 . 18573 1 338 . 1 1 30 30 THR C C 13 175.500 0.400 . 1 . . . A 30 THR C . 18573 1 339 . 1 1 30 30 THR CA C 13 65.430 0.400 . 1 . . . A 30 THR CA . 18573 1 340 . 1 1 30 30 THR CB C 13 68.750 0.400 . 1 . . . A 30 THR CB . 18573 1 341 . 1 1 30 30 THR CG2 C 13 21.730 0.400 . 1 . . . A 30 THR CG2 . 18573 1 342 . 1 1 30 30 THR N N 15 114.985 0.400 . 1 . . . A 30 THR N . 18573 1 343 . 1 1 31 31 LEU H H 1 7.528 0.020 . 1 . . . A 31 LEU H . 18573 1 344 . 1 1 31 31 LEU HA H 1 4.233 0.020 . 1 . . . A 31 LEU HA . 18573 1 345 . 1 1 31 31 LEU HB2 H 1 1.843 0.020 . 2 . . . A 31 LEU HB2 . 18573 1 346 . 1 1 31 31 LEU HB3 H 1 1.712 0.020 . 2 . . . A 31 LEU HB3 . 18573 1 347 . 1 1 31 31 LEU HG H 1 1.797 0.020 . 1 . . . A 31 LEU HG . 18573 1 348 . 1 1 31 31 LEU HD11 H 1 0.926 0.020 . 2 . . . A 31 LEU HD11 . 18573 1 349 . 1 1 31 31 LEU HD12 H 1 0.926 0.020 . 2 . . . A 31 LEU HD12 . 18573 1 350 . 1 1 31 31 LEU HD13 H 1 0.926 0.020 . 2 . . . A 31 LEU HD13 . 18573 1 351 . 1 1 31 31 LEU HD21 H 1 0.830 0.020 . 2 . . . A 31 LEU HD21 . 18573 1 352 . 1 1 31 31 LEU HD22 H 1 0.830 0.020 . 2 . . . A 31 LEU HD22 . 18573 1 353 . 1 1 31 31 LEU HD23 H 1 0.830 0.020 . 2 . . . A 31 LEU HD23 . 18573 1 354 . 1 1 31 31 LEU C C 13 175.500 0.400 . 1 . . . A 31 LEU C . 18573 1 355 . 1 1 31 31 LEU CA C 13 55.839 0.400 . 1 . . . A 31 LEU CA . 18573 1 356 . 1 1 31 31 LEU CB C 13 42.456 0.400 . 1 . . . A 31 LEU CB . 18573 1 357 . 1 1 31 31 LEU CG C 13 27.040 0.400 . 1 . . . A 31 LEU CG . 18573 1 358 . 1 1 31 31 LEU CD1 C 13 25.610 0.400 . 2 . . . A 31 LEU CD1 . 18573 1 359 . 1 1 31 31 LEU CD2 C 13 23.520 0.400 . 2 . . . A 31 LEU CD2 . 18573 1 360 . 1 1 31 31 LEU N N 15 120.086 0.400 . 1 . . . A 31 LEU N . 18573 1 361 . 1 1 32 32 GLY H H 1 7.691 0.020 . 1 . . . A 32 GLY H . 18573 1 362 . 1 1 32 32 GLY HA2 H 1 4.197 0.020 . 2 . . . A 32 GLY HA2 . 18573 1 363 . 1 1 32 32 GLY HA3 H 1 3.810 0.020 . 2 . . . A 32 GLY HA3 . 18573 1 364 . 1 1 32 32 GLY C C 13 173.400 0.400 . 1 . . . A 32 GLY C . 18573 1 365 . 1 1 32 32 GLY CA C 13 45.490 0.400 . 1 . . . A 32 GLY CA . 18573 1 366 . 1 1 32 32 GLY N N 15 106.606 0.400 . 1 . . . A 32 GLY N . 18573 1 367 . 1 1 33 33 SER H H 1 8.228 0.020 . 1 . . . A 33 SER H . 18573 1 368 . 1 1 33 33 SER HA H 1 4.525 0.020 . 1 . . . A 33 SER HA . 18573 1 369 . 1 1 33 33 SER HB2 H 1 3.819 0.020 . 2 . . . A 33 SER HB2 . 18573 1 370 . 1 1 33 33 SER HB3 H 1 3.819 0.020 . 2 . . . A 33 SER HB3 . 18573 1 371 . 1 1 33 33 SER C C 13 174.900 0.400 . 1 . . . A 33 SER C . 18573 1 372 . 1 1 33 33 SER CA C 13 58.240 0.400 . 1 . . . A 33 SER CA . 18573 1 373 . 1 1 33 33 SER CB C 13 63.330 0.400 . 1 . . . A 33 SER CB . 18573 1 374 . 1 1 33 33 SER N N 15 115.872 0.400 . 1 . . . A 33 SER N . 18573 1 375 . 1 1 34 34 THR H H 1 8.307 0.020 . 1 . . . A 34 THR H . 18573 1 376 . 1 1 34 34 THR HA H 1 4.380 0.020 . 1 . . . A 34 THR HA . 18573 1 377 . 1 1 34 34 THR HB H 1 4.060 0.020 . 1 . . . A 34 THR HB . 18573 1 378 . 1 1 34 34 THR HG21 H 1 1.130 0.020 . 1 . . . A 34 THR HG21 . 18573 1 379 . 1 1 34 34 THR HG22 H 1 1.130 0.020 . 1 . . . A 34 THR HG22 . 18573 1 380 . 1 1 34 34 THR HG23 H 1 1.130 0.020 . 1 . . . A 34 THR HG23 . 18573 1 381 . 1 1 34 34 THR C C 13 174.200 0.400 . 1 . . . A 34 THR C . 18573 1 382 . 1 1 34 34 THR CA C 13 61.680 0.400 . 1 . . . A 34 THR CA . 18573 1 383 . 1 1 34 34 THR CB C 13 69.830 0.400 . 1 . . . A 34 THR CB . 18573 1 384 . 1 1 34 34 THR CG2 C 13 21.280 0.400 . 1 . . . A 34 THR CG2 . 18573 1 385 . 1 1 34 34 THR N N 15 117.854 0.400 . 1 . . . A 34 THR N . 18573 1 386 . 1 1 35 35 SER H H 1 8.526 0.020 . 1 . . . A 35 SER H . 18573 1 387 . 1 1 35 35 SER HA H 1 4.569 0.020 . 1 . . . A 35 SER HA . 18573 1 388 . 1 1 35 35 SER HB2 H 1 4.123 0.020 . 2 . . . A 35 SER HB2 . 18573 1 389 . 1 1 35 35 SER HB3 H 1 3.935 0.020 . 2 . . . A 35 SER HB3 . 18573 1 390 . 1 1 35 35 SER C C 13 174.900 0.400 . 1 . . . A 35 SER C . 18573 1 391 . 1 1 35 35 SER CA C 13 57.421 0.400 . 1 . . . A 35 SER CA . 18573 1 392 . 1 1 35 35 SER CB C 13 64.641 0.400 . 1 . . . A 35 SER CB . 18573 1 393 . 1 1 35 35 SER N N 15 119.986 0.400 . 1 . . . A 35 SER N . 18573 1 394 . 1 1 36 36 ALA H H 1 8.950 0.020 . 1 . . . A 36 ALA H . 18573 1 395 . 1 1 36 36 ALA HA H 1 4.040 0.020 . 1 . . . A 36 ALA HA . 18573 1 396 . 1 1 36 36 ALA HB1 H 1 1.434 0.020 . 1 . . . A 36 ALA HB1 . 18573 1 397 . 1 1 36 36 ALA HB2 H 1 1.434 0.020 . 1 . . . A 36 ALA HB2 . 18573 1 398 . 1 1 36 36 ALA HB3 H 1 1.434 0.020 . 1 . . . A 36 ALA HB3 . 18573 1 399 . 1 1 36 36 ALA C C 13 180.000 0.400 . 1 . . . A 36 ALA C . 18573 1 400 . 1 1 36 36 ALA CA C 13 55.465 0.400 . 1 . . . A 36 ALA CA . 18573 1 401 . 1 1 36 36 ALA CB C 13 18.156 0.400 . 1 . . . A 36 ALA CB . 18573 1 402 . 1 1 36 36 ALA N N 15 127.422 0.400 . 1 . . . A 36 ALA N . 18573 1 403 . 1 1 37 37 ASP H H 1 8.376 0.020 . 1 . . . A 37 ASP H . 18573 1 404 . 1 1 37 37 ASP HA H 1 4.333 0.020 . 1 . . . A 37 ASP HA . 18573 1 405 . 1 1 37 37 ASP HB2 H 1 2.580 0.020 . 2 . . . A 37 ASP HB2 . 18573 1 406 . 1 1 37 37 ASP HB3 H 1 2.580 0.020 . 2 . . . A 37 ASP HB3 . 18573 1 407 . 1 1 37 37 ASP C C 13 178.400 0.400 . 1 . . . A 37 ASP C . 18573 1 408 . 1 1 37 37 ASP CA C 13 56.880 0.400 . 1 . . . A 37 ASP CA . 18573 1 409 . 1 1 37 37 ASP CB C 13 40.410 0.400 . 1 . . . A 37 ASP CB . 18573 1 410 . 1 1 37 37 ASP N N 15 116.608 0.400 . 1 . . . A 37 ASP N . 18573 1 411 . 1 1 38 38 GLU H H 1 7.638 0.020 . 1 . . . A 38 GLU H . 18573 1 412 . 1 1 38 38 GLU HA H 1 4.117 0.020 . 1 . . . A 38 GLU HA . 18573 1 413 . 1 1 38 38 GLU HB2 H 1 2.115 0.020 . 2 . . . A 38 GLU HB2 . 18573 1 414 . 1 1 38 38 GLU HB3 H 1 2.039 0.020 . 2 . . . A 38 GLU HB3 . 18573 1 415 . 1 1 38 38 GLU HG2 H 1 2.260 0.020 . 2 . . . A 38 GLU HG2 . 18573 1 416 . 1 1 38 38 GLU HG3 H 1 2.260 0.020 . 2 . . . A 38 GLU HG3 . 18573 1 417 . 1 1 38 38 GLU C C 13 178.700 0.400 . 1 . . . A 38 GLU C . 18573 1 418 . 1 1 38 38 GLU CA C 13 58.634 0.400 . 1 . . . A 38 GLU CA . 18573 1 419 . 1 1 38 38 GLU CB C 13 29.659 0.400 . 1 . . . A 38 GLU CB . 18573 1 420 . 1 1 38 38 GLU CG C 13 36.400 0.400 . 1 . . . A 38 GLU CG . 18573 1 421 . 1 1 38 38 GLU N N 15 120.991 0.400 . 1 . . . A 38 GLU N . 18573 1 422 . 1 1 39 39 VAL H H 1 7.871 0.020 . 1 . . . A 39 VAL H . 18573 1 423 . 1 1 39 39 VAL HA H 1 3.418 0.020 . 1 . . . A 39 VAL HA . 18573 1 424 . 1 1 39 39 VAL HB H 1 2.075 0.020 . 1 . . . A 39 VAL HB . 18573 1 425 . 1 1 39 39 VAL HG11 H 1 1.021 0.020 . 2 . . . A 39 VAL HG11 . 18573 1 426 . 1 1 39 39 VAL HG12 H 1 1.021 0.020 . 2 . . . A 39 VAL HG12 . 18573 1 427 . 1 1 39 39 VAL HG13 H 1 1.021 0.020 . 2 . . . A 39 VAL HG13 . 18573 1 428 . 1 1 39 39 VAL HG21 H 1 0.894 0.020 . 2 . . . A 39 VAL HG21 . 18573 1 429 . 1 1 39 39 VAL HG22 H 1 0.894 0.020 . 2 . . . A 39 VAL HG22 . 18573 1 430 . 1 1 39 39 VAL HG23 H 1 0.894 0.020 . 2 . . . A 39 VAL HG23 . 18573 1 431 . 1 1 39 39 VAL C C 13 177.400 0.400 . 1 . . . A 39 VAL C . 18573 1 432 . 1 1 39 39 VAL CA C 13 66.701 0.400 . 1 . . . A 39 VAL CA . 18573 1 433 . 1 1 39 39 VAL CB C 13 31.362 0.400 . 1 . . . A 39 VAL CB . 18573 1 434 . 1 1 39 39 VAL CG1 C 13 21.670 0.400 . 2 . . . A 39 VAL CG1 . 18573 1 435 . 1 1 39 39 VAL CG2 C 13 22.800 0.400 . 2 . . . A 39 VAL CG2 . 18573 1 436 . 1 1 39 39 VAL N N 15 120.057 0.400 . 1 . . . A 39 VAL N . 18573 1 437 . 1 1 40 40 GLN H H 1 7.952 0.020 . 1 . . . A 40 GLN H . 18573 1 438 . 1 1 40 40 GLN HA H 1 3.778 0.020 . 1 . . . A 40 GLN HA . 18573 1 439 . 1 1 40 40 GLN HB2 H 1 2.110 0.020 . 2 . . . A 40 GLN HB2 . 18573 1 440 . 1 1 40 40 GLN HB3 H 1 2.110 0.020 . 2 . . . A 40 GLN HB3 . 18573 1 441 . 1 1 40 40 GLN HG2 H 1 2.347 0.020 . 2 . . . A 40 GLN HG2 . 18573 1 442 . 1 1 40 40 GLN HG3 H 1 2.434 0.020 . 2 . . . A 40 GLN HG3 . 18573 1 443 . 1 1 40 40 GLN HE21 H 1 6.794 0.020 . 2 . . . A 40 GLN HE21 . 18573 1 444 . 1 1 40 40 GLN HE22 H 1 7.339 0.020 . 2 . . . A 40 GLN HE22 . 18573 1 445 . 1 1 40 40 GLN C C 13 178.600 0.400 . 1 . . . A 40 GLN C . 18573 1 446 . 1 1 40 40 GLN CA C 13 59.290 0.400 . 1 . . . A 40 GLN CA . 18573 1 447 . 1 1 40 40 GLN CB C 13 27.950 0.400 . 1 . . . A 40 GLN CB . 18573 1 448 . 1 1 40 40 GLN CG C 13 34.180 0.400 . 1 . . . A 40 GLN CG . 18573 1 449 . 1 1 40 40 GLN N N 15 118.130 0.400 . 1 . . . A 40 GLN N . 18573 1 450 . 1 1 40 40 GLN NE2 N 15 111.509 0.400 . 1 . . . A 40 GLN NE2 . 18573 1 451 . 1 1 41 41 ARG H H 1 7.799 0.020 . 1 . . . A 41 ARG H . 18573 1 452 . 1 1 41 41 ARG HA H 1 3.986 0.020 . 1 . . . A 41 ARG HA . 18573 1 453 . 1 1 41 41 ARG HB2 H 1 1.889 0.020 . 2 . . . A 41 ARG HB2 . 18573 1 454 . 1 1 41 41 ARG HB3 H 1 1.889 0.020 . 2 . . . A 41 ARG HB3 . 18573 1 455 . 1 1 41 41 ARG HG2 H 1 1.530 0.020 . 2 . . . A 41 ARG HG2 . 18573 1 456 . 1 1 41 41 ARG HG3 H 1 1.730 0.020 . 2 . . . A 41 ARG HG3 . 18573 1 457 . 1 1 41 41 ARG HD2 H 1 3.170 0.020 . 2 . . . A 41 ARG HD2 . 18573 1 458 . 1 1 41 41 ARG HD3 H 1 3.170 0.020 . 2 . . . A 41 ARG HD3 . 18573 1 459 . 1 1 41 41 ARG C C 13 177.500 0.400 . 1 . . . A 41 ARG C . 18573 1 460 . 1 1 41 41 ARG CA C 13 59.408 0.400 . 1 . . . A 41 ARG CA . 18573 1 461 . 1 1 41 41 ARG CB C 13 29.912 0.400 . 1 . . . A 41 ARG CB . 18573 1 462 . 1 1 41 41 ARG CG C 13 27.410 0.400 . 1 . . . A 41 ARG CG . 18573 1 463 . 1 1 41 41 ARG CD C 13 43.220 0.400 . 1 . . . A 41 ARG CD . 18573 1 464 . 1 1 41 41 ARG N N 15 120.136 0.400 . 1 . . . A 41 ARG N . 18573 1 465 . 1 1 42 42 MET H H 1 7.996 0.020 . 1 . . . A 42 MET H . 18573 1 466 . 1 1 42 42 MET HA H 1 4.030 0.020 . 1 . . . A 42 MET HA . 18573 1 467 . 1 1 42 42 MET HB2 H 1 2.150 0.020 . 2 . . . A 42 MET HB2 . 18573 1 468 . 1 1 42 42 MET HB3 H 1 1.860 0.020 . 2 . . . A 42 MET HB3 . 18573 1 469 . 1 1 42 42 MET HG2 H 1 2.540 0.020 . 2 . . . A 42 MET HG2 . 18573 1 470 . 1 1 42 42 MET HG3 H 1 2.340 0.020 . 2 . . . A 42 MET HG3 . 18573 1 471 . 1 1 42 42 MET HE1 H 1 1.990 0.020 . 1 . . . A 42 MET HE1 . 18573 1 472 . 1 1 42 42 MET HE2 H 1 1.990 0.020 . 1 . . . A 42 MET HE2 . 18573 1 473 . 1 1 42 42 MET HE3 H 1 1.990 0.020 . 1 . . . A 42 MET HE3 . 18573 1 474 . 1 1 42 42 MET C C 13 178.100 0.400 . 1 . . . A 42 MET C . 18573 1 475 . 1 1 42 42 MET CA C 13 59.062 0.400 . 1 . . . A 42 MET CA . 18573 1 476 . 1 1 42 42 MET CB C 13 32.733 0.400 . 1 . . . A 42 MET CB . 18573 1 477 . 1 1 42 42 MET CG C 13 32.400 0.400 . 1 . . . A 42 MET CG . 18573 1 478 . 1 1 42 42 MET CE C 13 17.000 0.400 . 1 . . . A 42 MET CE . 18573 1 479 . 1 1 42 42 MET N N 15 119.405 0.400 . 1 . . . A 42 MET N . 18573 1 480 . 1 1 43 43 MET H H 1 8.478 0.020 . 1 . . . A 43 MET H . 18573 1 481 . 1 1 43 43 MET HA H 1 3.920 0.020 . 1 . . . A 43 MET HA . 18573 1 482 . 1 1 43 43 MET HB2 H 1 2.150 0.020 . 2 . . . A 43 MET HB2 . 18573 1 483 . 1 1 43 43 MET HB3 H 1 1.763 0.020 . 2 . . . A 43 MET HB3 . 18573 1 484 . 1 1 43 43 MET HG2 H 1 2.364 0.020 . 2 . . . A 43 MET HG2 . 18573 1 485 . 1 1 43 43 MET HG3 H 1 2.578 0.020 . 2 . . . A 43 MET HG3 . 18573 1 486 . 1 1 43 43 MET HE1 H 1 1.780 0.020 . 1 . . . A 43 MET HE1 . 18573 1 487 . 1 1 43 43 MET HE2 H 1 1.780 0.020 . 1 . . . A 43 MET HE2 . 18573 1 488 . 1 1 43 43 MET HE3 H 1 1.780 0.020 . 1 . . . A 43 MET HE3 . 18573 1 489 . 1 1 43 43 MET C C 13 176.900 0.400 . 1 . . . A 43 MET C . 18573 1 490 . 1 1 43 43 MET CA C 13 58.401 0.400 . 1 . . . A 43 MET CA . 18573 1 491 . 1 1 43 43 MET CB C 13 31.401 0.400 . 1 . . . A 43 MET CB . 18573 1 492 . 1 1 43 43 MET CG C 13 32.180 0.400 . 1 . . . A 43 MET CG . 18573 1 493 . 1 1 43 43 MET CE C 13 17.700 0.400 . 1 . . . A 43 MET CE . 18573 1 494 . 1 1 43 43 MET N N 15 118.361 0.400 . 1 . . . A 43 MET N . 18573 1 495 . 1 1 44 44 ALA H H 1 7.635 0.020 . 1 . . . A 44 ALA H . 18573 1 496 . 1 1 44 44 ALA HA H 1 4.094 0.020 . 1 . . . A 44 ALA HA . 18573 1 497 . 1 1 44 44 ALA HB1 H 1 1.436 0.020 . 1 . . . A 44 ALA HB1 . 18573 1 498 . 1 1 44 44 ALA HB2 H 1 1.436 0.020 . 1 . . . A 44 ALA HB2 . 18573 1 499 . 1 1 44 44 ALA HB3 H 1 1.436 0.020 . 1 . . . A 44 ALA HB3 . 18573 1 500 . 1 1 44 44 ALA C C 13 179.500 0.400 . 1 . . . A 44 ALA C . 18573 1 501 . 1 1 44 44 ALA CA C 13 54.301 0.400 . 1 . . . A 44 ALA CA . 18573 1 502 . 1 1 44 44 ALA CB C 13 18.070 0.400 . 1 . . . A 44 ALA CB . 18573 1 503 . 1 1 44 44 ALA N N 15 117.691 0.400 . 1 . . . A 44 ALA N . 18573 1 504 . 1 1 45 45 GLU H H 1 7.543 0.020 . 1 . . . A 45 GLU H . 18573 1 505 . 1 1 45 45 GLU HA H 1 4.040 0.020 . 1 . . . A 45 GLU HA . 18573 1 506 . 1 1 45 45 GLU HB2 H 1 2.092 0.020 . 2 . . . A 45 GLU HB2 . 18573 1 507 . 1 1 45 45 GLU HB3 H 1 2.092 0.020 . 2 . . . A 45 GLU HB3 . 18573 1 508 . 1 1 45 45 GLU HG2 H 1 2.420 0.020 . 2 . . . A 45 GLU HG2 . 18573 1 509 . 1 1 45 45 GLU HG3 H 1 2.260 0.020 . 2 . . . A 45 GLU HG3 . 18573 1 510 . 1 1 45 45 GLU C C 13 177.700 0.400 . 1 . . . A 45 GLU C . 18573 1 511 . 1 1 45 45 GLU CA C 13 58.190 0.400 . 1 . . . A 45 GLU CA . 18573 1 512 . 1 1 45 45 GLU CB C 13 30.330 0.400 . 1 . . . A 45 GLU CB . 18573 1 513 . 1 1 45 45 GLU CG C 13 36.420 0.400 . 1 . . . A 45 GLU CG . 18573 1 514 . 1 1 45 45 GLU N N 15 115.811 0.400 . 1 . . . A 45 GLU N . 18573 1 515 . 1 1 46 46 ILE H H 1 7.728 0.020 . 1 . . . A 46 ILE H . 18573 1 516 . 1 1 46 46 ILE HA H 1 3.824 0.020 . 1 . . . A 46 ILE HA . 18573 1 517 . 1 1 46 46 ILE HB H 1 1.410 0.020 . 1 . . . A 46 ILE HB . 18573 1 518 . 1 1 46 46 ILE HG12 H 1 1.448 0.020 . 2 . . . A 46 ILE HG12 . 18573 1 519 . 1 1 46 46 ILE HG13 H 1 -0.123 0.020 . 2 . . . A 46 ILE HG13 . 18573 1 520 . 1 1 46 46 ILE HG21 H 1 0.855 0.020 . 1 . . . A 46 ILE HG21 . 18573 1 521 . 1 1 46 46 ILE HG22 H 1 0.855 0.020 . 1 . . . A 46 ILE HG22 . 18573 1 522 . 1 1 46 46 ILE HG23 H 1 0.855 0.020 . 1 . . . A 46 ILE HG23 . 18573 1 523 . 1 1 46 46 ILE HD11 H 1 0.142 0.020 . 1 . . . A 46 ILE HD11 . 18573 1 524 . 1 1 46 46 ILE HD12 H 1 0.142 0.020 . 1 . . . A 46 ILE HD12 . 18573 1 525 . 1 1 46 46 ILE HD13 H 1 0.142 0.020 . 1 . . . A 46 ILE HD13 . 18573 1 526 . 1 1 46 46 ILE C C 13 177.300 0.400 . 1 . . . A 46 ILE C . 18573 1 527 . 1 1 46 46 ILE CA C 13 63.110 0.400 . 1 . . . A 46 ILE CA . 18573 1 528 . 1 1 46 46 ILE CB C 13 38.830 0.400 . 1 . . . A 46 ILE CB . 18573 1 529 . 1 1 46 46 ILE CG1 C 13 27.150 0.400 . 1 . . . A 46 ILE CG1 . 18573 1 530 . 1 1 46 46 ILE CG2 C 13 19.820 0.400 . 1 . . . A 46 ILE CG2 . 18573 1 531 . 1 1 46 46 ILE CD1 C 13 13.550 0.400 . 1 . . . A 46 ILE CD1 . 18573 1 532 . 1 1 46 46 ILE N N 15 116.705 0.400 . 1 . . . A 46 ILE N . 18573 1 533 . 1 1 47 47 ASP H H 1 8.232 0.020 . . . . . A 47 ASP H . 18573 1 534 . 1 1 47 47 ASP HA H 1 4.617 0.020 . . . . . A 47 ASP HA . 18573 1 535 . 1 1 47 47 ASP HB2 H 1 2.861 0.020 . . . . . A 47 ASP HB2 . 18573 1 536 . 1 1 47 47 ASP HB3 H 1 2.347 0.020 . . . . . A 47 ASP HB3 . 18573 1 537 . 1 1 47 47 ASP C C 13 176.900 0.400 . . . . . A 47 ASP C . 18573 1 538 . 1 1 47 47 ASP CA C 13 53.220 0.400 . . . . . A 47 ASP CA . 18573 1 539 . 1 1 47 47 ASP CB C 13 39.360 0.400 . . . . . A 47 ASP CB . 18573 1 540 . 1 1 47 47 ASP N N 15 118.449 0.400 . . . . . A 47 ASP N . 18573 1 541 . 1 1 48 48 THR H H 1 8.349 0.020 . 1 . . . A 48 THR H . 18573 1 542 . 1 1 48 48 THR HA H 1 4.005 0.020 . 1 . . . A 48 THR HA . 18573 1 543 . 1 1 48 48 THR HB H 1 4.291 0.020 . 1 . . . A 48 THR HB . 18573 1 544 . 1 1 48 48 THR HG21 H 1 1.299 0.020 . 1 . . . A 48 THR HG21 . 18573 1 545 . 1 1 48 48 THR HG22 H 1 1.299 0.020 . 1 . . . A 48 THR HG22 . 18573 1 546 . 1 1 48 48 THR HG23 H 1 1.299 0.020 . 1 . . . A 48 THR HG23 . 18573 1 547 . 1 1 48 48 THR C C 13 176.900 0.400 . 1 . . . A 48 THR C . 18573 1 548 . 1 1 48 48 THR CA C 13 64.851 0.400 . 1 . . . A 48 THR CA . 18573 1 549 . 1 1 48 48 THR CB C 13 68.958 0.400 . 1 . . . A 48 THR CB . 18573 1 550 . 1 1 48 48 THR CG2 C 13 22.560 0.400 . 1 . . . A 48 THR CG2 . 18573 1 551 . 1 1 48 48 THR N N 15 120.549 0.400 . 1 . . . A 48 THR N . 18573 1 552 . 1 1 49 49 ASP H H 1 8.362 0.020 . 1 . . . A 49 ASP H . 18573 1 553 . 1 1 49 49 ASP HA H 1 4.683 0.020 . 1 . . . A 49 ASP HA . 18573 1 554 . 1 1 49 49 ASP HB2 H 1 3.087 0.020 . 2 . . . A 49 ASP HB2 . 18573 1 555 . 1 1 49 49 ASP HB3 H 1 2.720 0.020 . 2 . . . A 49 ASP HB3 . 18573 1 556 . 1 1 49 49 ASP C C 13 178.100 0.400 . 1 . . . A 49 ASP C . 18573 1 557 . 1 1 49 49 ASP CA C 13 53.410 0.400 . 1 . . . A 49 ASP CA . 18573 1 558 . 1 1 49 49 ASP CB C 13 39.740 0.400 . 1 . . . A 49 ASP CB . 18573 1 559 . 1 1 49 49 ASP N N 15 118.170 0.400 . 1 . . . A 49 ASP N . 18573 1 560 . 1 1 50 50 GLY H H 1 7.720 0.020 . 1 . . . A 50 GLY H . 18573 1 561 . 1 1 50 50 GLY HA2 H 1 3.890 0.020 . 2 . . . A 50 GLY HA2 . 18573 1 562 . 1 1 50 50 GLY HA3 H 1 3.770 0.020 . 2 . . . A 50 GLY HA3 . 18573 1 563 . 1 1 50 50 GLY C C 13 175.200 0.400 . 1 . . . A 50 GLY C . 18573 1 564 . 1 1 50 50 GLY CA C 13 47.360 0.400 . 1 . . . A 50 GLY CA . 18573 1 565 . 1 1 50 50 GLY N N 15 109.756 0.400 . 1 . . . A 50 GLY N . 18573 1 566 . 1 1 51 51 ASP H H 1 8.531 0.020 . 1 . . . A 51 ASP H . 18573 1 567 . 1 1 51 51 ASP HA H 1 4.456 0.020 . 1 . . . A 51 ASP HA . 18573 1 568 . 1 1 51 51 ASP HB2 H 1 3.092 0.020 . 2 . . . A 51 ASP HB2 . 18573 1 569 . 1 1 51 51 ASP HB3 H 1 2.580 0.020 . 2 . . . A 51 ASP HB3 . 18573 1 570 . 1 1 51 51 ASP C C 13 176.900 0.400 . 1 . . . A 51 ASP C . 18573 1 571 . 1 1 51 51 ASP CA C 13 54.210 0.400 . 1 . . . A 51 ASP CA . 18573 1 572 . 1 1 51 51 ASP CB C 13 40.475 0.400 . 1 . . . A 51 ASP CB . 18573 1 573 . 1 1 51 51 ASP N N 15 121.255 0.400 . 1 . . . A 51 ASP N . 18573 1 574 . 1 1 52 52 GLY H H 1 10.308 0.020 . 1 . . . A 52 GLY H . 18573 1 575 . 1 1 52 52 GLY HA2 H 1 3.870 0.020 . 2 . . . A 52 GLY HA2 . 18573 1 576 . 1 1 52 52 GLY HA3 H 1 3.241 0.020 . 2 . . . A 52 GLY HA3 . 18573 1 577 . 1 1 52 52 GLY C C 13 176.800 0.400 . 1 . . . A 52 GLY C . 18573 1 578 . 1 1 52 52 GLY CA C 13 45.120 0.400 . 1 . . . A 52 GLY CA . 18573 1 579 . 1 1 52 52 GLY N N 15 112.927 0.400 . 1 . . . A 52 GLY N . 18573 1 580 . 1 1 53 53 PHE H H 1 8.063 0.020 . 1 . . . A 53 PHE H . 18573 1 581 . 1 1 53 53 PHE HA H 1 4.925 0.020 . 1 . . . A 53 PHE HA . 18573 1 582 . 1 1 53 53 PHE HB2 H 1 2.926 0.020 . 2 . . . A 53 PHE HB2 . 18573 1 583 . 1 1 53 53 PHE HB3 H 1 2.568 0.020 . 2 . . . A 53 PHE HB3 . 18573 1 584 . 1 1 53 53 PHE HD1 H 1 6.837 0.020 . 3 . . . A 53 PHE HD1 . 18573 1 585 . 1 1 53 53 PHE HD2 H 1 6.837 0.020 . 3 . . . A 53 PHE HD2 . 18573 1 586 . 1 1 53 53 PHE HE1 H 1 7.294 0.020 . 3 . . . A 53 PHE HE1 . 18573 1 587 . 1 1 53 53 PHE HE2 H 1 7.294 0.020 . 3 . . . A 53 PHE HE2 . 18573 1 588 . 1 1 53 53 PHE C C 13 174.700 0.400 . 1 . . . A 53 PHE C . 18573 1 589 . 1 1 53 53 PHE CA C 13 55.801 0.400 . 1 . . . A 53 PHE CA . 18573 1 590 . 1 1 53 53 PHE CB C 13 44.210 0.400 . 1 . . . A 53 PHE CB . 18573 1 591 . 1 1 53 53 PHE N N 15 116.288 0.400 . 1 . . . A 53 PHE N . 18573 1 592 . 1 1 54 54 ILE H H 1 9.461 0.020 . 1 . . . A 54 ILE H . 18573 1 593 . 1 1 54 54 ILE HA H 1 5.019 0.020 . 1 . . . A 54 ILE HA . 18573 1 594 . 1 1 54 54 ILE HB H 1 2.053 0.020 . 1 . . . A 54 ILE HB . 18573 1 595 . 1 1 54 54 ILE HG12 H 1 1.648 0.020 . 2 . . . A 54 ILE HG12 . 18573 1 596 . 1 1 54 54 ILE HG13 H 1 0.794 0.020 . 2 . . . A 54 ILE HG13 . 18573 1 597 . 1 1 54 54 ILE HG21 H 1 1.232 0.020 . 1 . . . A 54 ILE HG21 . 18573 1 598 . 1 1 54 54 ILE HG22 H 1 1.232 0.020 . 1 . . . A 54 ILE HG22 . 18573 1 599 . 1 1 54 54 ILE HG23 H 1 1.232 0.020 . 1 . . . A 54 ILE HG23 . 18573 1 600 . 1 1 54 54 ILE HD11 H 1 0.829 0.020 . 1 . . . A 54 ILE HD11 . 18573 1 601 . 1 1 54 54 ILE HD12 H 1 0.829 0.020 . 1 . . . A 54 ILE HD12 . 18573 1 602 . 1 1 54 54 ILE HD13 H 1 0.829 0.020 . 1 . . . A 54 ILE HD13 . 18573 1 603 . 1 1 54 54 ILE C C 13 176.300 0.400 . 1 . . . A 54 ILE C . 18573 1 604 . 1 1 54 54 ILE CA C 13 60.049 0.400 . 1 . . . A 54 ILE CA . 18573 1 605 . 1 1 54 54 ILE CB C 13 39.996 0.400 . 1 . . . A 54 ILE CB . 18573 1 606 . 1 1 54 54 ILE CG1 C 13 26.990 0.400 . 1 . . . A 54 ILE CG1 . 18573 1 607 . 1 1 54 54 ILE CG2 C 13 18.650 0.400 . 1 . . . A 54 ILE CG2 . 18573 1 608 . 1 1 54 54 ILE CD1 C 13 15.680 0.400 . 1 . . . A 54 ILE CD1 . 18573 1 609 . 1 1 54 54 ILE N N 15 124.587 0.400 . 1 . . . A 54 ILE N . 18573 1 610 . 1 1 55 55 ASP H H 1 9.402 0.020 . 1 . . . A 55 ASP H . 18573 1 611 . 1 1 55 55 ASP HA H 1 5.266 0.020 . 1 . . . A 55 ASP HA . 18573 1 612 . 1 1 55 55 ASP HB2 H 1 2.622 0.020 . 2 . . . A 55 ASP HB2 . 18573 1 613 . 1 1 55 55 ASP HB3 H 1 3.370 0.020 . 2 . . . A 55 ASP HB3 . 18573 1 614 . 1 1 55 55 ASP C C 13 175.900 0.400 . 1 . . . A 55 ASP C . 18573 1 615 . 1 1 55 55 ASP CA C 13 52.334 0.400 . 1 . . . A 55 ASP CA . 18573 1 616 . 1 1 55 55 ASP CB C 13 41.455 0.400 . 1 . . . A 55 ASP CB . 18573 1 617 . 1 1 55 55 ASP N N 15 129.006 0.400 . 1 . . . A 55 ASP N . 18573 1 618 . 1 1 56 56 PHE H H 1 8.834 0.020 . 1 . . . A 56 PHE H . 18573 1 619 . 1 1 56 56 PHE HA H 1 3.633 0.020 . 1 . . . A 56 PHE HA . 18573 1 620 . 1 1 56 56 PHE HB2 H 1 2.345 0.020 . 2 . . . A 56 PHE HB2 . 18573 1 621 . 1 1 56 56 PHE HB3 H 1 2.592 0.020 . 2 . . . A 56 PHE HB3 . 18573 1 622 . 1 1 56 56 PHE HD1 H 1 6.475 0.020 . 3 . . . A 56 PHE HD1 . 18573 1 623 . 1 1 56 56 PHE HD2 H 1 6.475 0.020 . 3 . . . A 56 PHE HD2 . 18573 1 624 . 1 1 56 56 PHE HE1 H 1 7.091 0.020 . 3 . . . A 56 PHE HE1 . 18573 1 625 . 1 1 56 56 PHE HE2 H 1 7.091 0.020 . 3 . . . A 56 PHE HE2 . 18573 1 626 . 1 1 56 56 PHE C C 13 176.800 0.400 . 1 . . . A 56 PHE C . 18573 1 627 . 1 1 56 56 PHE CA C 13 61.801 0.400 . 1 . . . A 56 PHE CA . 18573 1 628 . 1 1 56 56 PHE CB C 13 38.950 0.400 . 1 . . . A 56 PHE CB . 18573 1 629 . 1 1 56 56 PHE N N 15 118.771 0.400 . 1 . . . A 56 PHE N . 18573 1 630 . 1 1 57 57 ASN H H 1 8.090 0.020 . 1 . . . A 57 ASN H . 18573 1 631 . 1 1 57 57 ASN HA H 1 4.248 0.020 . 1 . . . A 57 ASN HA . 18573 1 632 . 1 1 57 57 ASN HB2 H 1 2.899 0.020 . 2 . . . A 57 ASN HB2 . 18573 1 633 . 1 1 57 57 ASN HB3 H 1 2.730 0.020 . 2 . . . A 57 ASN HB3 . 18573 1 634 . 1 1 57 57 ASN HD21 H 1 7.825 0.020 . 2 . . . A 57 ASN HD21 . 18573 1 635 . 1 1 57 57 ASN HD22 H 1 6.945 0.020 . 2 . . . A 57 ASN HD22 . 18573 1 636 . 1 1 57 57 ASN C C 13 179.300 0.400 . 1 . . . A 57 ASN C . 18573 1 637 . 1 1 57 57 ASN CA C 13 56.520 0.400 . 1 . . . A 57 ASN CA . 18573 1 638 . 1 1 57 57 ASN CB C 13 37.990 0.400 . 1 . . . A 57 ASN CB . 18573 1 639 . 1 1 57 57 ASN N N 15 116.474 0.400 . 1 . . . A 57 ASN N . 18573 1 640 . 1 1 57 57 ASN ND2 N 15 113.629 0.400 . 1 . . . A 57 ASN ND2 . 18573 1 641 . 1 1 58 58 GLU H H 1 9.019 0.020 . 1 . . . A 58 GLU H . 18573 1 642 . 1 1 58 58 GLU HA H 1 4.139 0.020 . 1 . . . A 58 GLU HA . 18573 1 643 . 1 1 58 58 GLU HB2 H 1 2.571 0.020 . 2 . . . A 58 GLU HB2 . 18573 1 644 . 1 1 58 58 GLU HB3 H 1 2.296 0.020 . 2 . . . A 58 GLU HB3 . 18573 1 645 . 1 1 58 58 GLU HG2 H 1 2.581 0.020 . 2 . . . A 58 GLU HG2 . 18573 1 646 . 1 1 58 58 GLU HG3 H 1 2.873 0.020 . 2 . . . A 58 GLU HG3 . 18573 1 647 . 1 1 58 58 GLU C C 13 180.100 0.400 . 1 . . . A 58 GLU C . 18573 1 648 . 1 1 58 58 GLU CA C 13 58.899 0.400 . 1 . . . A 58 GLU CA . 18573 1 649 . 1 1 58 58 GLU CB C 13 29.524 0.400 . 1 . . . A 58 GLU CB . 18573 1 650 . 1 1 58 58 GLU CG C 13 36.680 0.400 . 1 . . . A 58 GLU CG . 18573 1 651 . 1 1 58 58 GLU N N 15 123.196 0.400 . 1 . . . A 58 GLU N . 18573 1 652 . 1 1 59 59 PHE H H 1 8.889 0.020 . 1 . . . A 59 PHE H . 18573 1 653 . 1 1 59 59 PHE HA H 1 4.092 0.020 . 1 . . . A 59 PHE HA . 18573 1 654 . 1 1 59 59 PHE HB2 H 1 3.281 0.020 . 2 . . . A 59 PHE HB2 . 18573 1 655 . 1 1 59 59 PHE HB3 H 1 3.281 0.020 . 2 . . . A 59 PHE HB3 . 18573 1 656 . 1 1 59 59 PHE HD1 H 1 6.962 0.020 . 3 . . . A 59 PHE HD1 . 18573 1 657 . 1 1 59 59 PHE HD2 H 1 6.962 0.020 . 3 . . . A 59 PHE HD2 . 18573 1 658 . 1 1 59 59 PHE HE1 H 1 7.005 0.020 . 3 . . . A 59 PHE HE1 . 18573 1 659 . 1 1 59 59 PHE HE2 H 1 7.005 0.020 . 3 . . . A 59 PHE HE2 . 18573 1 660 . 1 1 59 59 PHE C C 13 177.200 0.400 . 1 . . . A 59 PHE C . 18573 1 661 . 1 1 59 59 PHE CA C 13 62.297 0.400 . 1 . . . A 59 PHE CA . 18573 1 662 . 1 1 59 59 PHE CB C 13 39.977 0.400 . 1 . . . A 59 PHE CB . 18573 1 663 . 1 1 59 59 PHE N N 15 122.602 0.400 . 1 . . . A 59 PHE N . 18573 1 664 . 1 1 60 60 ILE H H 1 8.605 0.020 . 1 . . . A 60 ILE H . 18573 1 665 . 1 1 60 60 ILE HA H 1 3.545 0.020 . 1 . . . A 60 ILE HA . 18573 1 666 . 1 1 60 60 ILE HB H 1 1.685 0.020 . 1 . . . A 60 ILE HB . 18573 1 667 . 1 1 60 60 ILE HG12 H 1 0.910 0.020 . 2 . . . A 60 ILE HG12 . 18573 1 668 . 1 1 60 60 ILE HG13 H 1 1.060 0.020 . 2 . . . A 60 ILE HG13 . 18573 1 669 . 1 1 60 60 ILE HG21 H 1 0.664 0.020 . 1 . . . A 60 ILE HG21 . 18573 1 670 . 1 1 60 60 ILE HG22 H 1 0.664 0.020 . 1 . . . A 60 ILE HG22 . 18573 1 671 . 1 1 60 60 ILE HG23 H 1 0.664 0.020 . 1 . . . A 60 ILE HG23 . 18573 1 672 . 1 1 60 60 ILE HD11 H 1 0.495 0.020 . 1 . . . A 60 ILE HD11 . 18573 1 673 . 1 1 60 60 ILE HD12 H 1 0.495 0.020 . 1 . . . A 60 ILE HD12 . 18573 1 674 . 1 1 60 60 ILE HD13 H 1 0.495 0.020 . 1 . . . A 60 ILE HD13 . 18573 1 675 . 1 1 60 60 ILE C C 13 178.200 0.400 . 1 . . . A 60 ILE C . 18573 1 676 . 1 1 60 60 ILE CA C 13 64.278 0.400 . 1 . . . A 60 ILE CA . 18573 1 677 . 1 1 60 60 ILE CB C 13 37.122 0.400 . 1 . . . A 60 ILE CB . 18573 1 678 . 1 1 60 60 ILE CG1 C 13 27.380 0.400 . 1 . . . A 60 ILE CG1 . 18573 1 679 . 1 1 60 60 ILE CG2 C 13 17.770 0.400 . 1 . . . A 60 ILE CG2 . 18573 1 680 . 1 1 60 60 ILE CD1 C 13 12.350 0.400 . 1 . . . A 60 ILE CD1 . 18573 1 681 . 1 1 60 60 ILE N N 15 120.091 0.400 . 1 . . . A 60 ILE N . 18573 1 682 . 1 1 61 61 SER H H 1 7.790 0.020 . 1 . . . A 61 SER H . 18573 1 683 . 1 1 61 61 SER HA H 1 4.129 0.020 . 1 . . . A 61 SER HA . 18573 1 684 . 1 1 61 61 SER HB2 H 1 3.990 0.020 . 2 . . . A 61 SER HB2 . 18573 1 685 . 1 1 61 61 SER HB3 H 1 3.926 0.020 . 2 . . . A 61 SER HB3 . 18573 1 686 . 1 1 61 61 SER C C 13 177.400 0.400 . 1 . . . A 61 SER C . 18573 1 687 . 1 1 61 61 SER CA C 13 61.870 0.400 . 1 . . . A 61 SER CA . 18573 1 688 . 1 1 61 61 SER CB C 13 62.780 0.400 . 1 . . . A 61 SER CB . 18573 1 689 . 1 1 61 61 SER N N 15 115.049 0.400 . 1 . . . A 61 SER N . 18573 1 690 . 1 1 62 62 PHE H H 1 7.819 0.020 . 1 . . . A 62 PHE H . 18573 1 691 . 1 1 62 62 PHE HA H 1 4.255 0.020 . 1 . . . A 62 PHE HA . 18573 1 692 . 1 1 62 62 PHE HB2 H 1 3.104 0.020 . 2 . . . A 62 PHE HB2 . 18573 1 693 . 1 1 62 62 PHE HB3 H 1 3.292 0.020 . 2 . . . A 62 PHE HB3 . 18573 1 694 . 1 1 62 62 PHE HD1 H 1 6.542 0.020 . 3 . . . A 62 PHE HD1 . 18573 1 695 . 1 1 62 62 PHE HD2 H 1 6.542 0.020 . 3 . . . A 62 PHE HD2 . 18573 1 696 . 1 1 62 62 PHE HE1 H 1 7.164 0.020 . 3 . . . A 62 PHE HE1 . 18573 1 697 . 1 1 62 62 PHE HE2 H 1 7.164 0.020 . 3 . . . A 62 PHE HE2 . 18573 1 698 . 1 1 62 62 PHE C C 13 178.200 0.400 . 1 . . . A 62 PHE C . 18573 1 699 . 1 1 62 62 PHE CA C 13 61.543 0.400 . 1 . . . A 62 PHE CA . 18573 1 700 . 1 1 62 62 PHE CB C 13 39.501 0.400 . 1 . . . A 62 PHE CB . 18573 1 701 . 1 1 62 62 PHE N N 15 122.142 0.400 . 1 . . . A 62 PHE N . 18573 1 702 . 1 1 63 63 CYS H H 1 8.442 0.020 . 1 . . . A 63 CYS H . 18573 1 703 . 1 1 63 63 CYS HA H 1 3.527 0.020 . 1 . . . A 63 CYS HA . 18573 1 704 . 1 1 63 63 CYS HB2 H 1 2.781 0.020 . 2 . . . A 63 CYS HB2 . 18573 1 705 . 1 1 63 63 CYS HB3 H 1 2.527 0.020 . 2 . . . A 63 CYS HB3 . 18573 1 706 . 1 1 63 63 CYS C C 13 177.500 0.400 . 1 . . . A 63 CYS C . 18573 1 707 . 1 1 63 63 CYS CA C 13 64.078 0.400 . 1 . . . A 63 CYS CA . 18573 1 708 . 1 1 63 63 CYS CB C 13 26.873 0.400 . 1 . . . A 63 CYS CB . 18573 1 709 . 1 1 63 63 CYS N N 15 119.526 0.400 . 1 . . . A 63 CYS N . 18573 1 710 . 1 1 64 64 ASN H H 1 8.254 0.020 . 1 . . . A 64 ASN H . 18573 1 711 . 1 1 64 64 ASN HA H 1 4.272 0.020 . 1 . . . A 64 ASN HA . 18573 1 712 . 1 1 64 64 ASN HB2 H 1 2.751 0.020 . 2 . . . A 64 ASN HB2 . 18573 1 713 . 1 1 64 64 ASN HB3 H 1 2.686 0.020 . 2 . . . A 64 ASN HB3 . 18573 1 714 . 1 1 64 64 ASN HD21 H 1 7.471 0.020 . 2 . . . A 64 ASN HD21 . 18573 1 715 . 1 1 64 64 ASN HD22 H 1 6.763 0.020 . 2 . . . A 64 ASN HD22 . 18573 1 716 . 1 1 64 64 ASN C C 13 176.500 0.400 . 1 . . . A 64 ASN C . 18573 1 717 . 1 1 64 64 ASN CA C 13 55.160 0.400 . 1 . . . A 64 ASN CA . 18573 1 718 . 1 1 64 64 ASN CB C 13 38.040 0.400 . 1 . . . A 64 ASN CB . 18573 1 719 . 1 1 64 64 ASN N N 15 116.918 0.400 . 1 . . . A 64 ASN N . 18573 1 720 . 1 1 64 64 ASN ND2 N 15 111.480 0.400 . 1 . . . A 64 ASN ND2 . 18573 1 721 . 1 1 65 65 ALA H H 1 7.191 0.020 . 1 . . . A 65 ALA H . 18573 1 722 . 1 1 65 65 ALA HA H 1 4.252 0.020 . 1 . . . A 65 ALA HA . 18573 1 723 . 1 1 65 65 ALA HB1 H 1 1.334 0.020 . 1 . . . A 65 ALA HB1 . 18573 1 724 . 1 1 65 65 ALA HB2 H 1 1.334 0.020 . 1 . . . A 65 ALA HB2 . 18573 1 725 . 1 1 65 65 ALA HB3 H 1 1.334 0.020 . 1 . . . A 65 ALA HB3 . 18573 1 726 . 1 1 65 65 ALA C C 13 176.700 0.400 . 1 . . . A 65 ALA C . 18573 1 727 . 1 1 65 65 ALA CA C 13 52.682 0.400 . 1 . . . A 65 ALA CA . 18573 1 728 . 1 1 65 65 ALA CB C 13 19.639 0.400 . 1 . . . A 65 ALA CB . 18573 1 729 . 1 1 65 65 ALA N N 15 119.440 0.400 . 1 . . . A 65 ALA N . 18573 1 730 . 1 1 66 66 ASN H H 1 7.201 0.020 . 1 . . . A 66 ASN H . 18573 1 731 . 1 1 66 66 ASN HA H 1 4.950 0.020 . 1 . . . A 66 ASN HA . 18573 1 732 . 1 1 66 66 ASN HB2 H 1 1.860 0.020 . 2 . . . A 66 ASN HB2 . 18573 1 733 . 1 1 66 66 ASN HB3 H 1 2.220 0.020 . 2 . . . A 66 ASN HB3 . 18573 1 734 . 1 1 66 66 ASN HD21 H 1 7.063 0.020 . 2 . . . A 66 ASN HD21 . 18573 1 735 . 1 1 66 66 ASN HD22 H 1 6.616 0.020 . 2 . . . A 66 ASN HD22 . 18573 1 736 . 1 1 66 66 ASN CA C 13 51.240 0.400 . 1 . . . A 66 ASN CA . 18573 1 737 . 1 1 66 66 ASN CB C 13 39.910 0.400 . 1 . . . A 66 ASN CB . 18573 1 738 . 1 1 66 66 ASN N N 15 116.396 0.400 . 1 . . . A 66 ASN N . 18573 1 739 . 1 1 66 66 ASN ND2 N 15 119.390 0.400 . 1 . . . A 66 ASN ND2 . 18573 1 740 . 1 1 67 67 PRO HA H 1 4.301 0.020 . 1 . . . A 67 PRO HA . 18573 1 741 . 1 1 67 67 PRO HB2 H 1 1.912 0.020 . 2 . . . A 67 PRO HB2 . 18573 1 742 . 1 1 67 67 PRO HB3 H 1 2.243 0.020 . 2 . . . A 67 PRO HB3 . 18573 1 743 . 1 1 67 67 PRO HG2 H 1 1.950 0.020 . 2 . . . A 67 PRO HG2 . 18573 1 744 . 1 1 67 67 PRO HG3 H 1 1.950 0.020 . 2 . . . A 67 PRO HG3 . 18573 1 745 . 1 1 67 67 PRO HD2 H 1 3.530 0.020 . 2 . . . A 67 PRO HD2 . 18573 1 746 . 1 1 67 67 PRO HD3 H 1 3.280 0.020 . 2 . . . A 67 PRO HD3 . 18573 1 747 . 1 1 67 67 PRO C C 13 179.100 0.400 . 1 . . . A 67 PRO C . 18573 1 748 . 1 1 67 67 PRO CA C 13 64.930 0.400 . 1 . . . A 67 PRO CA . 18573 1 749 . 1 1 67 67 PRO CB C 13 31.400 0.400 . 1 . . . A 67 PRO CB . 18573 1 750 . 1 1 67 67 PRO CG C 13 27.300 0.400 . 1 . . . A 67 PRO CG . 18573 1 751 . 1 1 67 67 PRO CD C 13 50.300 0.400 . 1 . . . A 67 PRO CD . 18573 1 752 . 1 1 68 68 GLY H H 1 8.606 0.020 . 1 . . . A 68 GLY H . 18573 1 753 . 1 1 68 68 GLY HA2 H 1 3.780 0.020 . 2 . . . A 68 GLY HA2 . 18573 1 754 . 1 1 68 68 GLY HA3 H 1 3.780 0.020 . 2 . . . A 68 GLY HA3 . 18573 1 755 . 1 1 68 68 GLY C C 13 175.800 0.400 . 1 . . . A 68 GLY C . 18573 1 756 . 1 1 68 68 GLY CA C 13 46.930 0.400 . 1 . . . A 68 GLY CA . 18573 1 757 . 1 1 68 68 GLY N N 15 108.597 0.400 . 1 . . . A 68 GLY N . 18573 1 758 . 1 1 69 69 LEU H H 1 7.491 0.020 . 1 . . . A 69 LEU H . 18573 1 759 . 1 1 69 69 LEU HA H 1 4.306 0.020 . 1 . . . A 69 LEU HA . 18573 1 760 . 1 1 69 69 LEU HB2 H 1 1.685 0.020 . 2 . . . A 69 LEU HB2 . 18573 1 761 . 1 1 69 69 LEU HB3 H 1 1.685 0.020 . 2 . . . A 69 LEU HB3 . 18573 1 762 . 1 1 69 69 LEU HG H 1 1.645 0.020 . 1 . . . A 69 LEU HG . 18573 1 763 . 1 1 69 69 LEU HD11 H 1 0.947 0.020 . 2 . . . A 69 LEU HD11 . 18573 1 764 . 1 1 69 69 LEU HD12 H 1 0.947 0.020 . 2 . . . A 69 LEU HD12 . 18573 1 765 . 1 1 69 69 LEU HD13 H 1 0.947 0.020 . 2 . . . A 69 LEU HD13 . 18573 1 766 . 1 1 69 69 LEU HD21 H 1 0.975 0.020 . 2 . . . A 69 LEU HD21 . 18573 1 767 . 1 1 69 69 LEU HD22 H 1 0.975 0.020 . 2 . . . A 69 LEU HD22 . 18573 1 768 . 1 1 69 69 LEU HD23 H 1 0.975 0.020 . 2 . . . A 69 LEU HD23 . 18573 1 769 . 1 1 69 69 LEU C C 13 179.000 0.400 . 1 . . . A 69 LEU C . 18573 1 770 . 1 1 69 69 LEU CA C 13 57.490 0.400 . 1 . . . A 69 LEU CA . 18573 1 771 . 1 1 69 69 LEU CB C 13 42.223 0.400 . 1 . . . A 69 LEU CB . 18573 1 772 . 1 1 69 69 LEU CG C 13 27.330 0.400 . 1 . . . A 69 LEU CG . 18573 1 773 . 1 1 69 69 LEU CD1 C 13 25.400 0.400 . 2 . . . A 69 LEU CD1 . 18573 1 774 . 1 1 69 69 LEU CD2 C 13 23.920 0.400 . 2 . . . A 69 LEU CD2 . 18573 1 775 . 1 1 69 69 LEU N N 15 122.778 0.400 . 1 . . . A 69 LEU N . 18573 1 776 . 1 1 70 70 MET H H 1 7.879 0.020 . 1 . . . A 70 MET H . 18573 1 777 . 1 1 70 70 MET HA H 1 4.482 0.020 . 1 . . . A 70 MET HA . 18573 1 778 . 1 1 70 70 MET HB2 H 1 2.040 0.020 . 2 . . . A 70 MET HB2 . 18573 1 779 . 1 1 70 70 MET HB3 H 1 2.040 0.020 . 2 . . . A 70 MET HB3 . 18573 1 780 . 1 1 70 70 MET HG2 H 1 2.680 0.020 . 2 . . . A 70 MET HG2 . 18573 1 781 . 1 1 70 70 MET HG3 H 1 2.480 0.020 . 2 . . . A 70 MET HG3 . 18573 1 782 . 1 1 70 70 MET HE1 H 1 1.970 0.020 . 1 . . . A 70 MET HE1 . 18573 1 783 . 1 1 70 70 MET HE2 H 1 1.970 0.020 . 1 . . . A 70 MET HE2 . 18573 1 784 . 1 1 70 70 MET HE3 H 1 1.970 0.020 . 1 . . . A 70 MET HE3 . 18573 1 785 . 1 1 70 70 MET C C 13 177.300 0.400 . 1 . . . A 70 MET C . 18573 1 786 . 1 1 70 70 MET CA C 13 56.130 0.400 . 1 . . . A 70 MET CA . 18573 1 787 . 1 1 70 70 MET CB C 13 30.750 0.400 . 1 . . . A 70 MET CB . 18573 1 788 . 1 1 70 70 MET CG C 13 32.440 0.400 . 1 . . . A 70 MET CG . 18573 1 789 . 1 1 70 70 MET CE C 13 17.000 0.400 . 1 . . . A 70 MET CE . 18573 1 790 . 1 1 70 70 MET N N 15 114.757 0.400 . 1 . . . A 70 MET N . 18573 1 791 . 1 1 71 71 LYS H H 1 7.707 0.020 . 1 . . . A 71 LYS H . 18573 1 792 . 1 1 71 71 LYS HA H 1 4.064 0.020 . 1 . . . A 71 LYS HA . 18573 1 793 . 1 1 71 71 LYS HB2 H 1 1.902 0.020 . 2 . . . A 71 LYS HB2 . 18573 1 794 . 1 1 71 71 LYS HB3 H 1 1.902 0.020 . 2 . . . A 71 LYS HB3 . 18573 1 795 . 1 1 71 71 LYS HG2 H 1 1.527 0.020 . 2 . . . A 71 LYS HG2 . 18573 1 796 . 1 1 71 71 LYS HG3 H 1 1.433 0.020 . 2 . . . A 71 LYS HG3 . 18573 1 797 . 1 1 71 71 LYS HD2 H 1 1.672 0.020 . 2 . . . A 71 LYS HD2 . 18573 1 798 . 1 1 71 71 LYS HD3 H 1 1.672 0.020 . 2 . . . A 71 LYS HD3 . 18573 1 799 . 1 1 71 71 LYS HE2 H 1 2.898 0.020 . 2 . . . A 71 LYS HE2 . 18573 1 800 . 1 1 71 71 LYS HE3 H 1 2.986 0.020 . 2 . . . A 71 LYS HE3 . 18573 1 801 . 1 1 71 71 LYS C C 13 178.400 0.400 . 1 . . . A 71 LYS C . 18573 1 802 . 1 1 71 71 LYS CA C 13 59.147 0.400 . 1 . . . A 71 LYS CA . 18573 1 803 . 1 1 71 71 LYS CB C 13 32.267 0.400 . 1 . . . A 71 LYS CB . 18573 1 804 . 1 1 71 71 LYS CG C 13 24.750 0.400 . 1 . . . A 71 LYS CG . 18573 1 805 . 1 1 71 71 LYS CD C 13 29.150 0.400 . 1 . . . A 71 LYS CD . 18573 1 806 . 1 1 71 71 LYS CE C 13 42.100 0.400 . 1 . . . A 71 LYS CE . 18573 1 807 . 1 1 71 71 LYS N N 15 120.084 0.400 . 1 . . . A 71 LYS N . 18573 1 808 . 1 1 72 72 ASP H H 1 7.795 0.020 . 1 . . . A 72 ASP H . 18573 1 809 . 1 1 72 72 ASP HA H 1 4.609 0.020 . 1 . . . A 72 ASP HA . 18573 1 810 . 1 1 72 72 ASP HB2 H 1 2.842 0.020 . 2 . . . A 72 ASP HB2 . 18573 1 811 . 1 1 72 72 ASP HB3 H 1 2.717 0.020 . 2 . . . A 72 ASP HB3 . 18573 1 812 . 1 1 72 72 ASP C C 13 178.900 0.400 . 1 . . . A 72 ASP C . 18573 1 813 . 1 1 72 72 ASP CA C 13 56.676 0.400 . 1 . . . A 72 ASP CA . 18573 1 814 . 1 1 72 72 ASP CB C 13 40.569 0.400 . 1 . . . A 72 ASP CB . 18573 1 815 . 1 1 72 72 ASP N N 15 119.428 0.400 . 1 . . . A 72 ASP N . 18573 1 816 . 1 1 73 73 VAL H H 1 8.283 0.020 . 1 . . . A 73 VAL H . 18573 1 817 . 1 1 73 73 VAL HA H 1 3.859 0.020 . 1 . . . A 73 VAL HA . 18573 1 818 . 1 1 73 73 VAL HB H 1 2.347 0.020 . 1 . . . A 73 VAL HB . 18573 1 819 . 1 1 73 73 VAL HG11 H 1 1.173 0.020 . 2 . . . A 73 VAL HG11 . 18573 1 820 . 1 1 73 73 VAL HG12 H 1 1.173 0.020 . 2 . . . A 73 VAL HG12 . 18573 1 821 . 1 1 73 73 VAL HG13 H 1 1.173 0.020 . 2 . . . A 73 VAL HG13 . 18573 1 822 . 1 1 73 73 VAL HG21 H 1 1.140 0.020 . 2 . . . A 73 VAL HG21 . 18573 1 823 . 1 1 73 73 VAL HG22 H 1 1.140 0.020 . 2 . . . A 73 VAL HG22 . 18573 1 824 . 1 1 73 73 VAL HG23 H 1 1.140 0.020 . 2 . . . A 73 VAL HG23 . 18573 1 825 . 1 1 73 73 VAL C C 13 177.000 0.400 . 1 . . . A 73 VAL C . 18573 1 826 . 1 1 73 73 VAL CA C 13 65.371 0.400 . 1 . . . A 73 VAL CA . 18573 1 827 . 1 1 73 73 VAL CB C 13 32.204 0.400 . 1 . . . A 73 VAL CB . 18573 1 828 . 1 1 73 73 VAL CG1 C 13 22.330 0.400 . 2 . . . A 73 VAL CG1 . 18573 1 829 . 1 1 73 73 VAL CG2 C 13 22.330 0.400 . 2 . . . A 73 VAL CG2 . 18573 1 830 . 1 1 73 73 VAL N N 15 120.022 0.400 . 1 . . . A 73 VAL N . 18573 1 831 . 1 1 74 74 ALA H H 1 8.132 0.020 . 1 . . . A 74 ALA H . 18573 1 832 . 1 1 74 74 ALA HA H 1 4.306 0.020 . 1 . . . A 74 ALA HA . 18573 1 833 . 1 1 74 74 ALA HB1 H 1 1.461 0.020 . 1 . . . A 74 ALA HB1 . 18573 1 834 . 1 1 74 74 ALA HB2 H 1 1.461 0.020 . 1 . . . A 74 ALA HB2 . 18573 1 835 . 1 1 74 74 ALA HB3 H 1 1.461 0.020 . 1 . . . A 74 ALA HB3 . 18573 1 836 . 1 1 74 74 ALA C C 13 177.900 0.400 . 1 . . . A 74 ALA C . 18573 1 837 . 1 1 74 74 ALA CA C 13 53.579 0.400 . 1 . . . A 74 ALA CA . 18573 1 838 . 1 1 74 74 ALA CB C 13 18.555 0.400 . 1 . . . A 74 ALA CB . 18573 1 839 . 1 1 74 74 ALA N N 15 120.764 0.400 . 1 . . . A 74 ALA N . 18573 1 840 . 1 1 75 75 LYS H H 1 7.445 0.020 . 1 . . . A 75 LYS H . 18573 1 841 . 1 1 75 75 LYS HA H 1 4.248 0.020 . 1 . . . A 75 LYS HA . 18573 1 842 . 1 1 75 75 LYS HB2 H 1 1.914 0.020 . 2 . . . A 75 LYS HB2 . 18573 1 843 . 1 1 75 75 LYS HB3 H 1 1.914 0.020 . 2 . . . A 75 LYS HB3 . 18573 1 844 . 1 1 75 75 LYS HG2 H 1 1.644 0.020 . 2 . . . A 75 LYS HG2 . 18573 1 845 . 1 1 75 75 LYS HG3 H 1 1.464 0.020 . 2 . . . A 75 LYS HG3 . 18573 1 846 . 1 1 75 75 LYS HD2 H 1 1.710 0.020 . 2 . . . A 75 LYS HD2 . 18573 1 847 . 1 1 75 75 LYS HD3 H 1 1.710 0.020 . 2 . . . A 75 LYS HD3 . 18573 1 848 . 1 1 75 75 LYS HE2 H 1 2.997 0.020 . 2 . . . A 75 LYS HE2 . 18573 1 849 . 1 1 75 75 LYS HE3 H 1 2.997 0.020 . 2 . . . A 75 LYS HE3 . 18573 1 850 . 1 1 75 75 LYS C C 13 177.200 0.400 . 1 . . . A 75 LYS C . 18573 1 851 . 1 1 75 75 LYS CA C 13 57.540 0.400 . 1 . . . A 75 LYS CA . 18573 1 852 . 1 1 75 75 LYS CB C 13 33.150 0.400 . 1 . . . A 75 LYS CB . 18573 1 853 . 1 1 75 75 LYS CG C 13 25.110 0.400 . 1 . . . A 75 LYS CG . 18573 1 854 . 1 1 75 75 LYS CD C 13 29.340 0.400 . 1 . . . A 75 LYS CD . 18573 1 855 . 1 1 75 75 LYS CE C 13 42.260 0.400 . 1 . . . A 75 LYS CE . 18573 1 856 . 1 1 75 75 LYS N N 15 115.779 0.400 . 1 . . . A 75 LYS N . 18573 1 857 . 1 1 76 76 VAL H H 1 7.598 0.020 . 1 . . . A 76 VAL H . 18573 1 858 . 1 1 76 76 VAL HA H 1 4.104 0.020 . 1 . . . A 76 VAL HA . 18573 1 859 . 1 1 76 76 VAL HB H 1 1.913 0.020 . 1 . . . A 76 VAL HB . 18573 1 860 . 1 1 76 76 VAL HG11 H 1 0.630 0.020 . 2 . . . A 76 VAL HG11 . 18573 1 861 . 1 1 76 76 VAL HG12 H 1 0.630 0.020 . 2 . . . A 76 VAL HG12 . 18573 1 862 . 1 1 76 76 VAL HG13 H 1 0.630 0.020 . 2 . . . A 76 VAL HG13 . 18573 1 863 . 1 1 76 76 VAL HG21 H 1 0.802 0.020 . 2 . . . A 76 VAL HG21 . 18573 1 864 . 1 1 76 76 VAL HG22 H 1 0.802 0.020 . 2 . . . A 76 VAL HG22 . 18573 1 865 . 1 1 76 76 VAL HG23 H 1 0.802 0.020 . 2 . . . A 76 VAL HG23 . 18573 1 866 . 1 1 76 76 VAL C C 13 174.800 0.400 . 1 . . . A 76 VAL C . 18573 1 867 . 1 1 76 76 VAL CA C 13 62.710 0.400 . 1 . . . A 76 VAL CA . 18573 1 868 . 1 1 76 76 VAL CB C 13 33.501 0.400 . 1 . . . A 76 VAL CB . 18573 1 869 . 1 1 76 76 VAL CG1 C 13 20.500 0.400 . 2 . . . A 76 VAL CG1 . 18573 1 870 . 1 1 76 76 VAL CG2 C 13 21.300 0.400 . 2 . . . A 76 VAL CG2 . 18573 1 871 . 1 1 76 76 VAL N N 15 116.242 0.400 . 1 . . . A 76 VAL N . 18573 1 872 . 1 1 77 77 PHE H H 1 7.863 0.020 . 1 . . . A 77 PHE H . 18573 1 873 . 1 1 77 77 PHE HA H 1 4.501 0.020 . 1 . . . A 77 PHE HA . 18573 1 874 . 1 1 77 77 PHE HB2 H 1 2.894 0.020 . 2 . . . A 77 PHE HB2 . 18573 1 875 . 1 1 77 77 PHE HB3 H 1 3.146 0.020 . 2 . . . A 77 PHE HB3 . 18573 1 876 . 1 1 77 77 PHE HD1 H 1 7.277 0.020 . 3 . . . A 77 PHE HD1 . 18573 1 877 . 1 1 77 77 PHE HD2 H 1 7.277 0.020 . 3 . . . A 77 PHE HD2 . 18573 1 878 . 1 1 77 77 PHE HE1 H 1 7.151 0.020 . 3 . . . A 77 PHE HE1 . 18573 1 879 . 1 1 77 77 PHE HE2 H 1 7.151 0.020 . 3 . . . A 77 PHE HE2 . 18573 1 880 . 1 1 77 77 PHE C C 13 180.500 0.400 . 1 . . . A 77 PHE C . 18573 1 881 . 1 1 77 77 PHE CA C 13 58.807 0.400 . 1 . . . A 77 PHE CA . 18573 1 882 . 1 1 77 77 PHE CB C 13 41.255 0.400 . 1 . . . A 77 PHE CB . 18573 1 883 . 1 1 77 77 PHE N N 15 126.633 0.400 . 1 . . . A 77 PHE N . 18573 1 stop_ save_