data_17898 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17898 _Entry.Title ; NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-29 _Entry.Accession_date 2011-08-29 _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 'NMR structure of a monomeric partially-folded intermediate of CylR2 at 257K' _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 Mariusz Jaremko . . . 17898 2 Lukasz Jaremko . . . 17898 3 Hai-Young Kim . . . 17898 4 Min-Kyu Cho . . . 17898 5 Charles Schwieters . D. . 17898 6 Karin Giller . . . 17898 7 Stefan Becker . . . 17898 8 Markus Zweckstetter . . . 17898 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' . 17898 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cold denaturation' . 17898 CylR2 . 17898 'cytolysin repressor 2' . 17898 'DNA-binding protein' . 17898 helix-turn-helix . 17898 'NOE-based structure' . 17898 'partially folded' . 17898 'protein folding' . 17898 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17898 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 186 17898 '15N chemical shifts' 69 17898 '1H chemical shifts' 419 17898 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 . . 2013-03-25 2011-08-29 update BMRB 'update entry citation' 17898 1 . . 2013-02-15 2011-08-29 original author 'original release' 17898 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17892 'NMR structure of the CylR2 homodimer at 298K' 17898 BMRB 17893 'NMR structure of the CylR2 homodimer at 270K' 17898 BMRB 17894 'predissociated homodimer of CylR2 in equilibrium with monomer at 266K' 17898 BMRB 17895 'monomer of CylR2 in equilibrium with predissociated homodimer at 266K' 17898 BMRB 17896 'monomeric intermediate of CylR2 at 262K' 17898 BMRB 17897 'monomeric partially-folded intermediate of CylR2 at 259K' 17898 PDB 1UTX 'X-ray structure of the same protein at 1.9 A resolution' 17898 PDB 2GZU 'Structure of the same protein using intermonomer distances from paramagnetic relaxation enhancement and NMR dipolar couplings' 17898 PDB 2LYS 'BMRB Entry Tracking System' 17898 PDB 2XI8 'X-ray structure of the same protein at 1.21 A resolution' 17898 PDB 2XIU 'X-ray structure of MTSL-tagged CYLR2' 17898 PDB 2XJ3 'X-ray structure of T55C mutant of CYLR2' 17898 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17898 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23396077 _Citation.Full_citation . _Citation.Title 'Cold denaturation of a protein dimer monitored at atomic resolution.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 9 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 264 _Citation.Page_last 270 _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 Mariusz Jaremko . . . 17898 1 2 Lukasz Jaremko . . . 17898 1 3 Hai-Young Kim . . . 17898 1 4 Min-Kyu Cho . . . 17898 1 5 Charles Schwieters . D. . 17898 1 6 Karin Giller . . . 17898 1 7 Stefan Becker . . . 17898 1 8 Markus Zweckstetter . . . 17898 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17898 _Assembly.ID 1 _Assembly.Name CylR2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 CylR2 1 $CylR2 A . yes native no no . . . 17898 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CylR2 _Entity.Sf_category entity _Entity.Sf_framecode CylR2 _Entity.Entry_ID 17898 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CylR2 _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 ; MIINNLKLIREKKKISQSEL AALLEVSRQTINGIEKNKYN PSLQLALKIAYYLNTPLEDI FQWQPE ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7725.070 _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 17892 . "CylR2, strand 1" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 2 no BMRB 17893 . CylR2_homodimer . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 3 no BMRB 17894 . CylR2 . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 4 no BMRB 17895 . CylR2 . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 5 no BMRB 17896 . CylR2 . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 6 no BMRB 17897 . CylR2 . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 7 no PDB 1UTX . "Regulation Of Cytolysin Expression By Enterococcus Faecalis: Role Of Cylr2" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 8 no PDB 2GZU . "High-Resolution Structure Determination Of The Cylr2 Homodimer Using Intermonomer Distances From Paramagnetic Relaxation Enhanc" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 9 no PDB 2LYJ . "Noe-based 3d Structure Of The Cylr2 Homodimer At 298k" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 10 no PDB 2LYK . "Noe-based 3d Structure Of The Cylr2 Homodimer At 270k (-3 Celsius Degrees)" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 11 no PDB 2LYL . "Noe-based 3d Structure Of The Predissociated Homodimer Of Cylr2 In Equilibrium With Monomer At 266k (-7 Celsius Degrees)" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 12 no PDB 2LYP . "Noe-based 3d Structure Of The Monomer Of Cylr2 In Equilibrium With Predissociated Homodimer At 266k (-7 Celsius Degrees)" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 13 no PDB 2LYQ . "Noe-based 3d Structure Of The Monomeric Intermediate Of Cylr2 At 262k (-11 Celsius Degrees)" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 14 no PDB 2LYR . "Noe-based 3d Structure Of The Monomeric Partially-folded Intermediate Of Cylr2 At 259k (-14 Celsius Degrees)" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 15 no PDB 2LYS . "Noe-based 3d Structure Of The Monomeric Partially-folded Intermediate Of Cylr2 At 257k (-16 Celsius Degrees)" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 16 no PDB 2XI8 . "High Resolution Structure Of Native Cylr2" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 17 no PDB 2XIU . "High Resolution Structure Of Mtsl-Tagged Cylr2" . . . . . 100.00 66 98.48 98.48 1.31e-36 . . . . 17898 1 18 no PDB 2XJ3 . "High Resolution Structure Of The T55c Mutant Of Cylr2." . . . . . 100.00 66 98.48 98.48 1.31e-36 . . . . 17898 1 19 no GB AAL59476 . "putative transcription regulator [Enterococcus faecalis]" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 20 no GB AAL60140 . "CylR2 [Enterococcus faecalis]" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 21 no GB AAM75247 . "EF0042 [Enterococcus faecalis]" . . . . . 100.00 66 98.48 100.00 7.63e-37 . . . . 17898 1 22 no GB AAO80372 . "transcriptional regulator, Cro/CI family [Enterococcus faecalis V583]" . . . . . 100.00 66 98.48 100.00 7.63e-37 . . . . 17898 1 23 no GB AIL03173 . "helix-turn-helix family protein [Enterococcus faecalis ATCC 29212]" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 24 no REF NP_814301 . "Cro/CI family transcriptional regulator [Enterococcus faecalis V583]" . . . . . 100.00 66 98.48 100.00 7.63e-37 . . . . 17898 1 25 no REF WP_002358483 . "MULTISPECIES: Cro/Cl family transcriptional regulator [Enterococcus]" . . . . . 100.00 66 100.00 100.00 2.19e-37 . . . . 17898 1 26 no REF WP_002370931 . "Cro/Cl family transcriptional regulator [Enterococcus faecalis]" . . . . . 100.00 66 98.48 100.00 7.63e-37 . . . . 17898 1 27 no REF WP_010773902 . "transcriptional regulator [Enterococcus faecalis]" . . . . . 100.00 66 98.48 100.00 1.55e-36 . . . . 17898 1 28 no REF WP_048951311 . "ABC transporter substrate-binding protein, partial [Enterococcus faecalis]" . . . . . 84.85 56 100.00 100.00 1.09e-28 . . . . 17898 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17898 1 2 . ILE . 17898 1 3 . ILE . 17898 1 4 . ASN . 17898 1 5 . ASN . 17898 1 6 . LEU . 17898 1 7 . LYS . 17898 1 8 . LEU . 17898 1 9 . ILE . 17898 1 10 . ARG . 17898 1 11 . GLU . 17898 1 12 . LYS . 17898 1 13 . LYS . 17898 1 14 . LYS . 17898 1 15 . ILE . 17898 1 16 . SER . 17898 1 17 . GLN . 17898 1 18 . SER . 17898 1 19 . GLU . 17898 1 20 . LEU . 17898 1 21 . ALA . 17898 1 22 . ALA . 17898 1 23 . LEU . 17898 1 24 . LEU . 17898 1 25 . GLU . 17898 1 26 . VAL . 17898 1 27 . SER . 17898 1 28 . ARG . 17898 1 29 . GLN . 17898 1 30 . THR . 17898 1 31 . ILE . 17898 1 32 . ASN . 17898 1 33 . GLY . 17898 1 34 . ILE . 17898 1 35 . GLU . 17898 1 36 . LYS . 17898 1 37 . ASN . 17898 1 38 . LYS . 17898 1 39 . TYR . 17898 1 40 . ASN . 17898 1 41 . PRO . 17898 1 42 . SER . 17898 1 43 . LEU . 17898 1 44 . GLN . 17898 1 45 . LEU . 17898 1 46 . ALA . 17898 1 47 . LEU . 17898 1 48 . LYS . 17898 1 49 . ILE . 17898 1 50 . ALA . 17898 1 51 . TYR . 17898 1 52 . TYR . 17898 1 53 . LEU . 17898 1 54 . ASN . 17898 1 55 . THR . 17898 1 56 . PRO . 17898 1 57 . LEU . 17898 1 58 . GLU . 17898 1 59 . ASP . 17898 1 60 . ILE . 17898 1 61 . PHE . 17898 1 62 . GLN . 17898 1 63 . TRP . 17898 1 64 . GLN . 17898 1 65 . PRO . 17898 1 66 . GLU . 17898 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17898 1 . ILE 2 2 17898 1 . ILE 3 3 17898 1 . ASN 4 4 17898 1 . ASN 5 5 17898 1 . LEU 6 6 17898 1 . LYS 7 7 17898 1 . LEU 8 8 17898 1 . ILE 9 9 17898 1 . ARG 10 10 17898 1 . GLU 11 11 17898 1 . LYS 12 12 17898 1 . LYS 13 13 17898 1 . LYS 14 14 17898 1 . ILE 15 15 17898 1 . SER 16 16 17898 1 . GLN 17 17 17898 1 . SER 18 18 17898 1 . GLU 19 19 17898 1 . LEU 20 20 17898 1 . ALA 21 21 17898 1 . ALA 22 22 17898 1 . LEU 23 23 17898 1 . LEU 24 24 17898 1 . GLU 25 25 17898 1 . VAL 26 26 17898 1 . SER 27 27 17898 1 . ARG 28 28 17898 1 . GLN 29 29 17898 1 . THR 30 30 17898 1 . ILE 31 31 17898 1 . ASN 32 32 17898 1 . GLY 33 33 17898 1 . ILE 34 34 17898 1 . GLU 35 35 17898 1 . LYS 36 36 17898 1 . ASN 37 37 17898 1 . LYS 38 38 17898 1 . TYR 39 39 17898 1 . ASN 40 40 17898 1 . PRO 41 41 17898 1 . SER 42 42 17898 1 . LEU 43 43 17898 1 . GLN 44 44 17898 1 . LEU 45 45 17898 1 . ALA 46 46 17898 1 . LEU 47 47 17898 1 . LYS 48 48 17898 1 . ILE 49 49 17898 1 . ALA 50 50 17898 1 . TYR 51 51 17898 1 . TYR 52 52 17898 1 . LEU 53 53 17898 1 . ASN 54 54 17898 1 . THR 55 55 17898 1 . PRO 56 56 17898 1 . LEU 57 57 17898 1 . GLU 58 58 17898 1 . ASP 59 59 17898 1 . ILE 60 60 17898 1 . PHE 61 61 17898 1 . GLN 62 62 17898 1 . TRP 63 63 17898 1 . GLN 64 64 17898 1 . PRO 65 65 17898 1 . GLU 66 66 17898 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17898 _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 $CylR2 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17898 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 17898 _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 $CylR2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(de3) . . . . . . . . . . . . . . . PET32A . . . . . . 17898 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17898 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'sample was in 10 capillaries ca. 25-30 uL, each inserted into a 5 mm NMR tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CylR2 '[U-100% 13C; U-100% 15N]' . . 1 $CylR2 . . 0.52 . . mM 0.05 . . . 17898 1 2 'sodium chloride' 'natural abundance' . . . . . . 600 . . mM . . . . 17898 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 17898 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17898 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17898 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 17898 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.6 . M 17898 1 pH 7.0 0.02 pH 17898 1 pressure 1 . atm 17898 1 temperature 257 0.2 K 17898 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17898 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17898 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17898 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17898 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.26 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17898 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17898 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17898 _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 . . 17898 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17898 3 'peak picking' 17898 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17898 _Software.ID 4 _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' . . 17898 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17898 4 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 17898 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17898 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 . . . 17898 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 17898 _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 . . . . . . . . . . . . . . . . 17898 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17898 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17898 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17898 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17898 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 17898 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details DSS 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 . . . . . . . . . 17898 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17898 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17898 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 17898 _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' . . . 17898 1 2 '2D 1H-13C HSQC aliphatic' . . . 17898 1 3 '3D 1H-13C NOESY aliphatic' . . . 17898 1 4 '3D HCCH-TOCSY' . . . 17898 1 5 '2D 1H-13C HSQC aromatic' . . . 17898 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.33541 0 . . . . . A 1 MET HA . 17898 1 2 . 1 1 1 1 MET HB2 H 1 2.64941 0 . . . . . A 1 MET HB2 . 17898 1 3 . 1 1 1 1 MET HB3 H 1 2.73241 0 . . . . . A 1 MET HB3 . 17898 1 4 . 1 1 1 1 MET HG2 H 1 2.35141 0 . . . . . A 1 MET HG2 . 17898 1 5 . 1 1 1 1 MET HG3 H 1 2.45541 0 . . . . . A 1 MET HG3 . 17898 1 6 . 1 1 1 1 MET CA C 13 55.838 0 . . . . . A 1 MET CA . 17898 1 7 . 1 1 1 1 MET CB C 13 34.042 0 . . . . . A 1 MET CB . 17898 1 8 . 1 1 1 1 MET CG C 13 31.338 0 . . . . . A 1 MET CG . 17898 1 9 . 1 1 2 2 ILE H H 1 9.26241 0 . . . . . A 2 ILE H . 17898 1 10 . 1 1 2 2 ILE HB H 1 2.13141 0 . . . . . A 2 ILE HB . 17898 1 11 . 1 1 2 2 ILE HG21 H 1 1.12741 0 . . . . . A 2 ILE HG21 . 17898 1 12 . 1 1 2 2 ILE HG22 H 1 1.12741 0 . . . . . A 2 ILE HG22 . 17898 1 13 . 1 1 2 2 ILE HG23 H 1 1.12741 0 . . . . . A 2 ILE HG23 . 17898 1 14 . 1 1 2 2 ILE HD11 H 1 1.00641 0 . . . . . A 2 ILE HD11 . 17898 1 15 . 1 1 2 2 ILE HD12 H 1 1.00641 0 . . . . . A 2 ILE HD12 . 17898 1 16 . 1 1 2 2 ILE HD13 H 1 1.00641 0 . . . . . A 2 ILE HD13 . 17898 1 17 . 1 1 2 2 ILE CB C 13 39.932 0 . . . . . A 2 ILE CB . 17898 1 18 . 1 1 2 2 ILE CG2 C 13 18.375 0 . . . . . A 2 ILE CG2 . 17898 1 19 . 1 1 2 2 ILE CD1 C 13 13.74 0 . . . . . A 2 ILE CD1 . 17898 1 20 . 1 1 2 2 ILE N N 15 123.023 0 . . . . . A 2 ILE N . 17898 1 21 . 1 1 3 3 ILE HA H 1 4.56241 0 . . . . . A 3 ILE HA . 17898 1 22 . 1 1 3 3 ILE HB H 1 2.14641 0 . . . . . A 3 ILE HB . 17898 1 23 . 1 1 3 3 ILE HG12 H 1 1.32541 0 . . . . . A 3 ILE HG12 . 17898 1 24 . 1 1 3 3 ILE HG13 H 1 1.68841 0 . . . . . A 3 ILE HG13 . 17898 1 25 . 1 1 3 3 ILE HG21 H 1 1.03441 0 . . . . . A 3 ILE HG21 . 17898 1 26 . 1 1 3 3 ILE HG22 H 1 1.03441 0 . . . . . A 3 ILE HG22 . 17898 1 27 . 1 1 3 3 ILE HG23 H 1 1.03441 0 . . . . . A 3 ILE HG23 . 17898 1 28 . 1 1 3 3 ILE HD11 H 1 0.93141 0 . . . . . A 3 ILE HD11 . 17898 1 29 . 1 1 3 3 ILE HD12 H 1 0.93141 0 . . . . . A 3 ILE HD12 . 17898 1 30 . 1 1 3 3 ILE HD13 H 1 0.93141 0 . . . . . A 3 ILE HD13 . 17898 1 31 . 1 1 3 3 ILE CA C 13 60.783 0 . . . . . A 3 ILE CA . 17898 1 32 . 1 1 3 3 ILE CB C 13 39.555 0 . . . . . A 3 ILE CB . 17898 1 33 . 1 1 3 3 ILE CG1 C 13 28.093 0 . . . . . A 3 ILE CG1 . 17898 1 34 . 1 1 3 3 ILE CG2 C 13 18.582 0 . . . . . A 3 ILE CG2 . 17898 1 35 . 1 1 3 3 ILE CD1 C 13 13.223 0 . . . . . A 3 ILE CD1 . 17898 1 36 . 1 1 4 4 ASN H H 1 9.18641 0 . . . . . A 4 ASN H . 17898 1 37 . 1 1 4 4 ASN HB2 H 1 2.94541 0 . . . . . A 4 ASN HB2 . 17898 1 38 . 1 1 4 4 ASN HB3 H 1 3.40941 0 . . . . . A 4 ASN HB3 . 17898 1 39 . 1 1 4 4 ASN CB C 13 40.713 0 . . . . . A 4 ASN CB . 17898 1 40 . 1 1 4 4 ASN N N 15 124.021 0 . . . . . A 4 ASN N . 17898 1 41 . 1 1 5 5 ASN HD21 H 1 7.12141 0 . . . . . A 5 ASN HD21 . 17898 1 42 . 1 1 5 5 ASN HD22 H 1 7.12441 0 . . . . . A 5 ASN HD22 . 17898 1 43 . 1 1 5 5 ASN ND2 N 15 112.639 0 . . . . . A 5 ASN ND2 . 17898 1 44 . 1 1 6 6 LEU H H 1 8.66541 0 . . . . . A 6 LEU H . 17898 1 45 . 1 1 6 6 LEU HA H 1 3.84741 0 . . . . . A 6 LEU HA . 17898 1 46 . 1 1 6 6 LEU HD11 H 1 1.12841 0 . . . . . A 6 LEU HD11 . 17898 1 47 . 1 1 6 6 LEU HD12 H 1 1.12841 0 . . . . . A 6 LEU HD12 . 17898 1 48 . 1 1 6 6 LEU HD13 H 1 1.12841 0 . . . . . A 6 LEU HD13 . 17898 1 49 . 1 1 6 6 LEU HD21 H 1 1.05541 0 . . . . . A 6 LEU HD21 . 17898 1 50 . 1 1 6 6 LEU HD22 H 1 1.05541 0 . . . . . A 6 LEU HD22 . 17898 1 51 . 1 1 6 6 LEU HD23 H 1 1.05541 0 . . . . . A 6 LEU HD23 . 17898 1 52 . 1 1 6 6 LEU CA C 13 60.599 0 . . . . . A 6 LEU CA . 17898 1 53 . 1 1 6 6 LEU CD1 C 13 28.147 0 . . . . . A 6 LEU CD1 . 17898 1 54 . 1 1 6 6 LEU CD2 C 13 24.818 0 . . . . . A 6 LEU CD2 . 17898 1 55 . 1 1 6 6 LEU N N 15 120.649 0 . . . . . A 6 LEU N . 17898 1 56 . 1 1 7 7 LYS H H 1 9.03541 0 . . . . . A 7 LYS H . 17898 1 57 . 1 1 7 7 LYS HA H 1 3.99541 0 . . . . . A 7 LYS HA . 17898 1 58 . 1 1 7 7 LYS HB2 H 1 1.93241 0 . . . . . A 7 LYS HB2 . 17898 1 59 . 1 1 7 7 LYS HB3 H 1 2.08641 0 . . . . . A 7 LYS HB3 . 17898 1 60 . 1 1 7 7 LYS HG2 H 1 1.49141 0 . . . . . A 7 LYS HG2 . 17898 1 61 . 1 1 7 7 LYS HG3 H 1 1.52541 0 . . . . . A 7 LYS HG3 . 17898 1 62 . 1 1 7 7 LYS HD2 H 1 1.88841 0 . . . . . A 7 LYS HD2 . 17898 1 63 . 1 1 7 7 LYS HD3 H 1 1.95641 0 . . . . . A 7 LYS HD3 . 17898 1 64 . 1 1 7 7 LYS HE2 H 1 3.13341 0 . . . . . A 7 LYS HE2 . 17898 1 65 . 1 1 7 7 LYS HE3 H 1 3.22041 0 . . . . . A 7 LYS HE3 . 17898 1 66 . 1 1 7 7 LYS CA C 13 61.306 0 . . . . . A 7 LYS CA . 17898 1 67 . 1 1 7 7 LYS CB C 13 32.434 0 . . . . . A 7 LYS CB . 17898 1 68 . 1 1 7 7 LYS CG C 13 25.615 0 . . . . . A 7 LYS CG . 17898 1 69 . 1 1 7 7 LYS CD C 13 30.628 0 . . . . . A 7 LYS CD . 17898 1 70 . 1 1 7 7 LYS CE C 13 42.751 0 . . . . . A 7 LYS CE . 17898 1 71 . 1 1 7 7 LYS N N 15 118.177 0 . . . . . A 7 LYS N . 17898 1 72 . 1 1 8 8 LEU H H 1 7.80641 0 . . . . . A 8 LEU H . 17898 1 73 . 1 1 8 8 LEU HA H 1 4.25341 0 . . . . . A 8 LEU HA . 17898 1 74 . 1 1 8 8 LEU HB2 H 1 1.81941 0 . . . . . A 8 LEU HB2 . 17898 1 75 . 1 1 8 8 LEU HB3 H 1 1.86541 0 . . . . . A 8 LEU HB3 . 17898 1 76 . 1 1 8 8 LEU HG H 1 1.81241 0 . . . . . A 8 LEU HG . 17898 1 77 . 1 1 8 8 LEU HD11 H 1 1.13241 0 . . . . . A 8 LEU HD11 . 17898 1 78 . 1 1 8 8 LEU HD12 H 1 1.13241 0 . . . . . A 8 LEU HD12 . 17898 1 79 . 1 1 8 8 LEU HD13 H 1 1.13241 0 . . . . . A 8 LEU HD13 . 17898 1 80 . 1 1 8 8 LEU HD21 H 1 1.11541 0 . . . . . A 8 LEU HD21 . 17898 1 81 . 1 1 8 8 LEU HD22 H 1 1.11541 0 . . . . . A 8 LEU HD22 . 17898 1 82 . 1 1 8 8 LEU HD23 H 1 1.11541 0 . . . . . A 8 LEU HD23 . 17898 1 83 . 1 1 8 8 LEU CA C 13 58.29 0 . . . . . A 8 LEU CA . 17898 1 84 . 1 1 8 8 LEU CB C 13 42.759 0 . . . . . A 8 LEU CB . 17898 1 85 . 1 1 8 8 LEU CG C 13 27.803 0 . . . . . A 8 LEU CG . 17898 1 86 . 1 1 8 8 LEU CD1 C 13 25.718 0 . . . . . A 8 LEU CD1 . 17898 1 87 . 1 1 8 8 LEU CD2 C 13 25.759 0 . . . . . A 8 LEU CD2 . 17898 1 88 . 1 1 8 8 LEU N N 15 116.322 0 . . . . . A 8 LEU N . 17898 1 89 . 1 1 9 9 ILE H H 1 8.30241 0 . . . . . A 9 ILE H . 17898 1 90 . 1 1 9 9 ILE HA H 1 3.97741 0 . . . . . A 9 ILE HA . 17898 1 91 . 1 1 9 9 ILE HB H 1 2.05441 0 . . . . . A 9 ILE HB . 17898 1 92 . 1 1 9 9 ILE HG12 H 1 1.70041 0 . . . . . A 9 ILE HG12 . 17898 1 93 . 1 1 9 9 ILE HG13 H 1 1.89741 0 . . . . . A 9 ILE HG13 . 17898 1 94 . 1 1 9 9 ILE HG21 H 1 1.10941 0 . . . . . A 9 ILE HG21 . 17898 1 95 . 1 1 9 9 ILE HG22 H 1 1.10941 0 . . . . . A 9 ILE HG22 . 17898 1 96 . 1 1 9 9 ILE HG23 H 1 1.10941 0 . . . . . A 9 ILE HG23 . 17898 1 97 . 1 1 9 9 ILE HD11 H 1 0.86941 0 . . . . . A 9 ILE HD11 . 17898 1 98 . 1 1 9 9 ILE HD12 H 1 0.86941 0 . . . . . A 9 ILE HD12 . 17898 1 99 . 1 1 9 9 ILE HD13 H 1 0.86941 0 . . . . . A 9 ILE HD13 . 17898 1 100 . 1 1 9 9 ILE CA C 13 63.858 0 . . . . . A 9 ILE CA . 17898 1 101 . 1 1 9 9 ILE CB C 13 37.684 0 . . . . . A 9 ILE CB . 17898 1 102 . 1 1 9 9 ILE CG1 C 13 28.278 0 . . . . . A 9 ILE CG1 . 17898 1 103 . 1 1 9 9 ILE CG2 C 13 18.942 0 . . . . . A 9 ILE CG2 . 17898 1 104 . 1 1 9 9 ILE CD1 C 13 12.48 0 . . . . . A 9 ILE CD1 . 17898 1 105 . 1 1 9 9 ILE N N 15 119.138 0 . . . . . A 9 ILE N . 17898 1 106 . 1 1 10 10 ARG H H 1 9.35441 0 . . . . . A 10 ARG H . 17898 1 107 . 1 1 10 10 ARG HA H 1 3.95341 0 . . . . . A 10 ARG HA . 17898 1 108 . 1 1 10 10 ARG HB2 H 1 1.81941 0 . . . . . A 10 ARG HB2 . 17898 1 109 . 1 1 10 10 ARG HB3 H 1 2.31541 0 . . . . . A 10 ARG HB3 . 17898 1 110 . 1 1 10 10 ARG HG2 H 1 1.56841 0 . . . . . A 10 ARG HG2 . 17898 1 111 . 1 1 10 10 ARG HG3 H 1 2.38141 0 . . . . . A 10 ARG HG3 . 17898 1 112 . 1 1 10 10 ARG HD2 H 1 2.90141 0 . . . . . A 10 ARG HD2 . 17898 1 113 . 1 1 10 10 ARG HD3 H 1 3.24741 0 . . . . . A 10 ARG HD3 . 17898 1 114 . 1 1 10 10 ARG CA C 13 61.668 0 . . . . . A 10 ARG CA . 17898 1 115 . 1 1 10 10 ARG CB C 13 29.394 0 . . . . . A 10 ARG CB . 17898 1 116 . 1 1 10 10 ARG CG C 13 27.97 0 . . . . . A 10 ARG CG . 17898 1 117 . 1 1 10 10 ARG CD C 13 42.695 0 . . . . . A 10 ARG CD . 17898 1 118 . 1 1 10 10 ARG N N 15 120.186 0 . . . . . A 10 ARG N . 17898 1 119 . 1 1 11 11 GLU H H 1 8.79541 0 . . . . . A 11 GLU H . 17898 1 120 . 1 1 11 11 GLU HA H 1 4.26441 0 . . . . . A 11 GLU HA . 17898 1 121 . 1 1 11 11 GLU HB2 H 1 2.23341 0 . . . . . A 11 GLU HB2 . 17898 1 122 . 1 1 11 11 GLU HB3 H 1 2.45041 0 . . . . . A 11 GLU HB3 . 17898 1 123 . 1 1 11 11 GLU HG2 H 1 2.38941 0 . . . . . A 11 GLU HG2 . 17898 1 124 . 1 1 11 11 GLU HG3 H 1 2.99241 0 . . . . . A 11 GLU HG3 . 17898 1 125 . 1 1 11 11 GLU CA C 13 60.286 0 . . . . . A 11 GLU CA . 17898 1 126 . 1 1 11 11 GLU CB C 13 29.814 0 . . . . . A 11 GLU CB . 17898 1 127 . 1 1 11 11 GLU CG C 13 38.251 0 . . . . . A 11 GLU CG . 17898 1 128 . 1 1 11 11 GLU N N 15 115.814 0 . . . . . A 11 GLU N . 17898 1 129 . 1 1 12 12 LYS H H 1 8.33841 0 . . . . . A 12 LYS H . 17898 1 130 . 1 1 12 12 LYS HA H 1 4.28641 0 . . . . . A 12 LYS HA . 17898 1 131 . 1 1 12 12 LYS HB2 H 1 2.33041 0 . . . . . A 12 LYS HB2 . 17898 1 132 . 1 1 12 12 LYS HB3 H 1 2.38941 0 . . . . . A 12 LYS HB3 . 17898 1 133 . 1 1 12 12 LYS HG2 H 1 1.78541 0 . . . . . A 12 LYS HG2 . 17898 1 134 . 1 1 12 12 LYS HG3 H 1 1.80741 0 . . . . . A 12 LYS HG3 . 17898 1 135 . 1 1 12 12 LYS HD2 H 1 1.93941 0 . . . . . A 12 LYS HD2 . 17898 1 136 . 1 1 12 12 LYS HD3 H 1 1.95441 0 . . . . . A 12 LYS HD3 . 17898 1 137 . 1 1 12 12 LYS HE2 H 1 3.13541 0 . . . . . A 12 LYS HE2 . 17898 1 138 . 1 1 12 12 LYS HE3 H 1 3.21941 0 . . . . . A 12 LYS HE3 . 17898 1 139 . 1 1 12 12 LYS CA C 13 60.217 0 . . . . . A 12 LYS CA . 17898 1 140 . 1 1 12 12 LYS CB C 13 32.898 0 . . . . . A 12 LYS CB . 17898 1 141 . 1 1 12 12 LYS CG C 13 25.901 0 . . . . . A 12 LYS CG . 17898 1 142 . 1 1 12 12 LYS CD C 13 30.243 0 . . . . . A 12 LYS CD . 17898 1 143 . 1 1 12 12 LYS CE C 13 42.768 0 . . . . . A 12 LYS CE . 17898 1 144 . 1 1 12 12 LYS N N 15 122.969 0 . . . . . A 12 LYS N . 17898 1 145 . 1 1 13 13 LYS H H 1 7.86341 0 . . . . . A 13 LYS H . 17898 1 146 . 1 1 13 13 LYS HA H 1 4.37541 0 . . . . . A 13 LYS HA . 17898 1 147 . 1 1 13 13 LYS HB2 H 1 2.06341 0 . . . . . A 13 LYS HB2 . 17898 1 148 . 1 1 13 13 LYS HB3 H 1 2.30841 0 . . . . . A 13 LYS HB3 . 17898 1 149 . 1 1 13 13 LYS HG2 H 1 1.78341 0 . . . . . A 13 LYS HG2 . 17898 1 150 . 1 1 13 13 LYS HG3 H 1 1.93541 0 . . . . . A 13 LYS HG3 . 17898 1 151 . 1 1 13 13 LYS HD2 H 1 1.80741 0 . . . . . A 13 LYS HD2 . 17898 1 152 . 1 1 13 13 LYS HD3 H 1 1.86041 0 . . . . . A 13 LYS HD3 . 17898 1 153 . 1 1 13 13 LYS HE2 H 1 3.22241 0 . . . . . A 13 LYS HE2 . 17898 1 154 . 1 1 13 13 LYS HE3 H 1 3.33141 0 . . . . . A 13 LYS HE3 . 17898 1 155 . 1 1 13 13 LYS CA C 13 55.931 0 . . . . . A 13 LYS CA . 17898 1 156 . 1 1 13 13 LYS CB C 13 31.753 0 . . . . . A 13 LYS CB . 17898 1 157 . 1 1 13 13 LYS CG C 13 25.667 0 . . . . . A 13 LYS CG . 17898 1 158 . 1 1 13 13 LYS CD C 13 29.252 0 . . . . . A 13 LYS CD . 17898 1 159 . 1 1 13 13 LYS CE C 13 42.763 0 . . . . . A 13 LYS CE . 17898 1 160 . 1 1 13 13 LYS N N 15 116.324 0 . . . . . A 13 LYS N . 17898 1 161 . 1 1 14 14 LYS H H 1 8.15341 0 . . . . . A 14 LYS H . 17898 1 162 . 1 1 14 14 LYS HA H 1 4.10841 0 . . . . . A 14 LYS HA . 17898 1 163 . 1 1 14 14 LYS HB2 H 1 2.22441 0 . . . . . A 14 LYS HB2 . 17898 1 164 . 1 1 14 14 LYS HB3 H 1 2.39241 0 . . . . . A 14 LYS HB3 . 17898 1 165 . 1 1 14 14 LYS HG2 H 1 1.66341 0 . . . . . A 14 LYS HG2 . 17898 1 166 . 1 1 14 14 LYS HG3 H 1 1.70741 0 . . . . . A 14 LYS HG3 . 17898 1 167 . 1 1 14 14 LYS HD2 H 1 1.86441 0 . . . . . A 14 LYS HD2 . 17898 1 168 . 1 1 14 14 LYS HD3 H 1 1.93941 0 . . . . . A 14 LYS HD3 . 17898 1 169 . 1 1 14 14 LYS HE2 H 1 3.32241 0 . . . . . A 14 LYS HE2 . 17898 1 170 . 1 1 14 14 LYS HE3 H 1 3.33141 0 . . . . . A 14 LYS HE3 . 17898 1 171 . 1 1 14 14 LYS CA C 13 58.054 0 . . . . . A 14 LYS CA . 17898 1 172 . 1 1 14 14 LYS CB C 13 29.048 0 . . . . . A 14 LYS CB . 17898 1 173 . 1 1 14 14 LYS CG C 13 25.812 0 . . . . . A 14 LYS CG . 17898 1 174 . 1 1 14 14 LYS CD C 13 30.017 0 . . . . . A 14 LYS CD . 17898 1 175 . 1 1 14 14 LYS CE C 13 42.577 0 . . . . . A 14 LYS CE . 17898 1 176 . 1 1 14 14 LYS N N 15 115.342 0 . . . . . A 14 LYS N . 17898 1 177 . 1 1 15 15 ILE H H 1 7.65641 0 . . . . . A 15 ILE H . 17898 1 178 . 1 1 15 15 ILE HA H 1 4.69741 0 . . . . . A 15 ILE HA . 17898 1 179 . 1 1 15 15 ILE HB H 1 1.78941 0 . . . . . A 15 ILE HB . 17898 1 180 . 1 1 15 15 ILE HG12 H 1 1.28841 0 . . . . . A 15 ILE HG12 . 17898 1 181 . 1 1 15 15 ILE HG13 H 1 1.82741 0 . . . . . A 15 ILE HG13 . 17898 1 182 . 1 1 15 15 ILE HG21 H 1 1.12541 0 . . . . . A 15 ILE HG21 . 17898 1 183 . 1 1 15 15 ILE HG22 H 1 1.12541 0 . . . . . A 15 ILE HG22 . 17898 1 184 . 1 1 15 15 ILE HG23 H 1 1.12541 0 . . . . . A 15 ILE HG23 . 17898 1 185 . 1 1 15 15 ILE HD11 H 1 0.93441 0 . . . . . A 15 ILE HD11 . 17898 1 186 . 1 1 15 15 ILE HD12 H 1 0.93441 0 . . . . . A 15 ILE HD12 . 17898 1 187 . 1 1 15 15 ILE HD13 H 1 0.93441 0 . . . . . A 15 ILE HD13 . 17898 1 188 . 1 1 15 15 ILE CA C 13 60.68 0 . . . . . A 15 ILE CA . 17898 1 189 . 1 1 15 15 ILE CB C 13 41.559 0 . . . . . A 15 ILE CB . 17898 1 190 . 1 1 15 15 ILE CG1 C 13 28.212 0 . . . . . A 15 ILE CG1 . 17898 1 191 . 1 1 15 15 ILE CG2 C 13 18.149 0 . . . . . A 15 ILE CG2 . 17898 1 192 . 1 1 15 15 ILE CD1 C 13 14.24 0 . . . . . A 15 ILE CD1 . 17898 1 193 . 1 1 15 15 ILE N N 15 118.356 0 . . . . . A 15 ILE N . 17898 1 194 . 1 1 16 16 SER H H 1 9.56341 0 . . . . . A 16 SER H . 17898 1 195 . 1 1 16 16 SER HA H 1 4.63441 0 . . . . . A 16 SER HA . 17898 1 196 . 1 1 16 16 SER CA C 13 57.781 0 . . . . . A 16 SER CA . 17898 1 197 . 1 1 16 16 SER N N 15 125.139 0 . . . . . A 16 SER N . 17898 1 198 . 1 1 17 17 GLN H H 1 9.63841 0 . . . . . A 17 GLN H . 17898 1 199 . 1 1 17 17 GLN HA H 1 3.94241 0 . . . . . A 17 GLN HA . 17898 1 200 . 1 1 17 17 GLN HB2 H 1 1.94341 0 . . . . . A 17 GLN HB2 . 17898 1 201 . 1 1 17 17 GLN HB3 H 1 2.46141 0 . . . . . A 17 GLN HB3 . 17898 1 202 . 1 1 17 17 GLN HE21 H 1 7.68341 0 . . . . . A 17 GLN HE21 . 17898 1 203 . 1 1 17 17 GLN HE22 H 1 7.89141 0 . . . . . A 17 GLN HE22 . 17898 1 204 . 1 1 17 17 GLN CA C 13 62.662 0 . . . . . A 17 GLN CA . 17898 1 205 . 1 1 17 17 GLN CB C 13 29.744 0 . . . . . A 17 GLN CB . 17898 1 206 . 1 1 17 17 GLN N N 15 120.188 0 . . . . . A 17 GLN N . 17898 1 207 . 1 1 17 17 GLN NE2 N 15 112.619 0 . . . . . A 17 GLN NE2 . 17898 1 208 . 1 1 18 18 SER H H 1 9.09441 0 . . . . . A 18 SER H . 17898 1 209 . 1 1 18 18 SER N N 15 113.031 0 . . . . . A 18 SER N . 17898 1 210 . 1 1 19 19 GLU H H 1 8.44441 0 . . . . . A 19 GLU H . 17898 1 211 . 1 1 19 19 GLU HA H 1 4.24541 0 . . . . . A 19 GLU HA . 17898 1 212 . 1 1 19 19 GLU HB2 H 1 2.14041 0 . . . . . A 19 GLU HB2 . 17898 1 213 . 1 1 19 19 GLU HB3 H 1 2.52641 0 . . . . . A 19 GLU HB3 . 17898 1 214 . 1 1 19 19 GLU HG2 H 1 2.47841 0 . . . . . A 19 GLU HG2 . 17898 1 215 . 1 1 19 19 GLU HG3 H 1 2.52441 0 . . . . . A 19 GLU HG3 . 17898 1 216 . 1 1 19 19 GLU CA C 13 59.409 0 . . . . . A 19 GLU CA . 17898 1 217 . 1 1 19 19 GLU CB C 13 30.439 0 . . . . . A 19 GLU CB . 17898 1 218 . 1 1 19 19 GLU CG C 13 37.766 0 . . . . . A 19 GLU CG . 17898 1 219 . 1 1 19 19 GLU N N 15 124.044 0 . . . . . A 19 GLU N . 17898 1 220 . 1 1 20 20 LEU H H 1 8.40341 0 . . . . . A 20 LEU H . 17898 1 221 . 1 1 20 20 LEU HA H 1 4.16241 0 . . . . . A 20 LEU HA . 17898 1 222 . 1 1 20 20 LEU HD11 H 1 1.19041 0 . . . . . A 20 LEU HD11 . 17898 1 223 . 1 1 20 20 LEU HD12 H 1 1.19041 0 . . . . . A 20 LEU HD12 . 17898 1 224 . 1 1 20 20 LEU HD13 H 1 1.19041 0 . . . . . A 20 LEU HD13 . 17898 1 225 . 1 1 20 20 LEU HD21 H 1 1.11041 0 . . . . . A 20 LEU HD21 . 17898 1 226 . 1 1 20 20 LEU HD22 H 1 1.11041 0 . . . . . A 20 LEU HD22 . 17898 1 227 . 1 1 20 20 LEU HD23 H 1 1.11041 0 . . . . . A 20 LEU HD23 . 17898 1 228 . 1 1 20 20 LEU CA C 13 58.45 0 . . . . . A 20 LEU CA . 17898 1 229 . 1 1 20 20 LEU CD1 C 13 27.9 0 . . . . . A 20 LEU CD1 . 17898 1 230 . 1 1 20 20 LEU CD2 C 13 22.888 0 . . . . . A 20 LEU CD2 . 17898 1 231 . 1 1 20 20 LEU N N 15 120.001 0 . . . . . A 20 LEU N . 17898 1 232 . 1 1 21 21 ALA H H 1 8.69541 0 . . . . . A 21 ALA H . 17898 1 233 . 1 1 21 21 ALA HA H 1 3.65941 0 . . . . . A 21 ALA HA . 17898 1 234 . 1 1 21 21 ALA HB1 H 1 1.57741 0 . . . . . A 21 ALA HB1 . 17898 1 235 . 1 1 21 21 ALA HB2 H 1 1.57741 0 . . . . . A 21 ALA HB2 . 17898 1 236 . 1 1 21 21 ALA HB3 H 1 1.57741 0 . . . . . A 21 ALA HB3 . 17898 1 237 . 1 1 21 21 ALA CA C 13 54.808 0 . . . . . A 21 ALA CA . 17898 1 238 . 1 1 21 21 ALA CB C 13 17.756 0 . . . . . A 21 ALA CB . 17898 1 239 . 1 1 21 21 ALA N N 15 119.822 0 . . . . . A 21 ALA N . 17898 1 240 . 1 1 22 22 ALA H H 1 7.91041 0 . . . . . A 22 ALA H . 17898 1 241 . 1 1 22 22 ALA HA H 1 4.34541 0 . . . . . A 22 ALA HA . 17898 1 242 . 1 1 22 22 ALA HB1 H 1 1.63441 0 . . . . . A 22 ALA HB1 . 17898 1 243 . 1 1 22 22 ALA HB2 H 1 1.63441 0 . . . . . A 22 ALA HB2 . 17898 1 244 . 1 1 22 22 ALA HB3 H 1 1.63441 0 . . . . . A 22 ALA HB3 . 17898 1 245 . 1 1 22 22 ALA CA C 13 55.532 0 . . . . . A 22 ALA CA . 17898 1 246 . 1 1 22 22 ALA CB C 13 18.553 0 . . . . . A 22 ALA CB . 17898 1 247 . 1 1 22 22 ALA N N 15 117.186 0 . . . . . A 22 ALA N . 17898 1 248 . 1 1 23 23 LEU H H 1 7.60941 0 . . . . . A 23 LEU H . 17898 1 249 . 1 1 23 23 LEU HA H 1 4.11441 0 . . . . . A 23 LEU HA . 17898 1 250 . 1 1 23 23 LEU HG H 1 1.92741 0 . . . . . A 23 LEU HG . 17898 1 251 . 1 1 23 23 LEU HD11 H 1 0.96941 0 . . . . . A 23 LEU HD11 . 17898 1 252 . 1 1 23 23 LEU HD12 H 1 0.96941 0 . . . . . A 23 LEU HD12 . 17898 1 253 . 1 1 23 23 LEU HD13 H 1 0.96941 0 . . . . . A 23 LEU HD13 . 17898 1 254 . 1 1 23 23 LEU HD21 H 1 0.96141 0 . . . . . A 23 LEU HD21 . 17898 1 255 . 1 1 23 23 LEU HD22 H 1 0.96141 0 . . . . . A 23 LEU HD22 . 17898 1 256 . 1 1 23 23 LEU HD23 H 1 0.96141 0 . . . . . A 23 LEU HD23 . 17898 1 257 . 1 1 23 23 LEU CA C 13 58.127 0 . . . . . A 23 LEU CA . 17898 1 258 . 1 1 23 23 LEU CG C 13 27.318 0 . . . . . A 23 LEU CG . 17898 1 259 . 1 1 23 23 LEU CD1 C 13 25.696 0 . . . . . A 23 LEU CD1 . 17898 1 260 . 1 1 23 23 LEU CD2 C 13 22.924 0 . . . . . A 23 LEU CD2 . 17898 1 261 . 1 1 23 23 LEU N N 15 118.505 0 . . . . . A 23 LEU N . 17898 1 262 . 1 1 24 24 LEU H H 1 7.51341 0 . . . . . A 24 LEU H . 17898 1 263 . 1 1 24 24 LEU HA H 1 4.34941 0 . . . . . A 24 LEU HA . 17898 1 264 . 1 1 24 24 LEU HG H 1 2.10641 0 . . . . . A 24 LEU HG . 17898 1 265 . 1 1 24 24 LEU HD11 H 1 0.97341 0 . . . . . A 24 LEU HD11 . 17898 1 266 . 1 1 24 24 LEU HD12 H 1 0.97341 0 . . . . . A 24 LEU HD12 . 17898 1 267 . 1 1 24 24 LEU HD13 H 1 0.97341 0 . . . . . A 24 LEU HD13 . 17898 1 268 . 1 1 24 24 LEU HD21 H 1 0.91641 0 . . . . . A 24 LEU HD21 . 17898 1 269 . 1 1 24 24 LEU HD22 H 1 0.91641 0 . . . . . A 24 LEU HD22 . 17898 1 270 . 1 1 24 24 LEU HD23 H 1 0.91641 0 . . . . . A 24 LEU HD23 . 17898 1 271 . 1 1 24 24 LEU CA C 13 55.694 0 . . . . . A 24 LEU CA . 17898 1 272 . 1 1 24 24 LEU CG C 13 28.71 0 . . . . . A 24 LEU CG . 17898 1 273 . 1 1 24 24 LEU CD1 C 13 25.316 0 . . . . . A 24 LEU CD1 . 17898 1 274 . 1 1 24 24 LEU CD2 C 13 28.986 0 . . . . . A 24 LEU CD2 . 17898 1 275 . 1 1 24 24 LEU N N 15 114.492 0 . . . . . A 24 LEU N . 17898 1 276 . 1 1 25 25 GLU H H 1 8.10841 0 . . . . . A 25 GLU H . 17898 1 277 . 1 1 25 25 GLU HA H 1 4.10941 0 . . . . . A 25 GLU HA . 17898 1 278 . 1 1 25 25 GLU HB2 H 1 2.38941 0 . . . . . A 25 GLU HB2 . 17898 1 279 . 1 1 25 25 GLU HB3 H 1 2.56441 0 . . . . . A 25 GLU HB3 . 17898 1 280 . 1 1 25 25 GLU HG2 H 1 2.41341 0 . . . . . A 25 GLU HG2 . 17898 1 281 . 1 1 25 25 GLU HG3 H 1 2.48241 0 . . . . . A 25 GLU HG3 . 17898 1 282 . 1 1 25 25 GLU CA C 13 58.233 0 . . . . . A 25 GLU CA . 17898 1 283 . 1 1 25 25 GLU CB C 13 27.893 0 . . . . . A 25 GLU CB . 17898 1 284 . 1 1 25 25 GLU CG C 13 37.701 0 . . . . . A 25 GLU CG . 17898 1 285 . 1 1 25 25 GLU N N 15 114.844 0 . . . . . A 25 GLU N . 17898 1 286 . 1 1 26 26 VAL H H 1 8.07541 0 . . . . . A 26 VAL H . 17898 1 287 . 1 1 26 26 VAL HA H 1 4.83341 0 . . . . . A 26 VAL HA . 17898 1 288 . 1 1 26 26 VAL HG11 H 1 1.04041 0 . . . . . A 26 VAL HG11 . 17898 1 289 . 1 1 26 26 VAL HG12 H 1 1.04041 0 . . . . . A 26 VAL HG12 . 17898 1 290 . 1 1 26 26 VAL HG13 H 1 1.04041 0 . . . . . A 26 VAL HG13 . 17898 1 291 . 1 1 26 26 VAL HG21 H 1 0.91541 0 . . . . . A 26 VAL HG21 . 17898 1 292 . 1 1 26 26 VAL HG22 H 1 0.91541 0 . . . . . A 26 VAL HG22 . 17898 1 293 . 1 1 26 26 VAL HG23 H 1 0.91541 0 . . . . . A 26 VAL HG23 . 17898 1 294 . 1 1 26 26 VAL CA C 13 58.343 0 . . . . . A 26 VAL CA . 17898 1 295 . 1 1 26 26 VAL CG1 C 13 22.505 0 . . . . . A 26 VAL CG1 . 17898 1 296 . 1 1 26 26 VAL CG2 C 13 18.783 0 . . . . . A 26 VAL CG2 . 17898 1 297 . 1 1 26 26 VAL N N 15 109.674 0 . . . . . A 26 VAL N . 17898 1 298 . 1 1 27 27 SER H H 1 8.73541 0 . . . . . A 27 SER H . 17898 1 299 . 1 1 27 27 SER HB2 H 1 4.00941 0 . . . . . A 27 SER HB2 . 17898 1 300 . 1 1 27 27 SER HB3 H 1 4.04041 0 . . . . . A 27 SER HB3 . 17898 1 301 . 1 1 27 27 SER CB C 13 63.11 0 . . . . . A 27 SER CB . 17898 1 302 . 1 1 27 27 SER N N 15 114.352 0 . . . . . A 27 SER N . 17898 1 303 . 1 1 28 28 ARG H H 1 8.32641 0 . . . . . A 28 ARG H . 17898 1 304 . 1 1 28 28 ARG HA H 1 3.82241 0 . . . . . A 28 ARG HA . 17898 1 305 . 1 1 28 28 ARG HB2 H 1 1.94641 0 . . . . . A 28 ARG HB2 . 17898 1 306 . 1 1 28 28 ARG HB3 H 1 2.16341 0 . . . . . A 28 ARG HB3 . 17898 1 307 . 1 1 28 28 ARG HG2 H 1 1.73941 0 . . . . . A 28 ARG HG2 . 17898 1 308 . 1 1 28 28 ARG HG3 H 1 1.87741 0 . . . . . A 28 ARG HG3 . 17898 1 309 . 1 1 28 28 ARG HD2 H 1 3.28241 0 . . . . . A 28 ARG HD2 . 17898 1 310 . 1 1 28 28 ARG HD3 H 1 3.38941 0 . . . . . A 28 ARG HD3 . 17898 1 311 . 1 1 28 28 ARG CA C 13 60.758 0 . . . . . A 28 ARG CA . 17898 1 312 . 1 1 28 28 ARG CB C 13 29.95 0 . . . . . A 28 ARG CB . 17898 1 313 . 1 1 28 28 ARG CG C 13 28.008 0 . . . . . A 28 ARG CG . 17898 1 314 . 1 1 28 28 ARG CD C 13 44.1 0 . . . . . A 28 ARG CD . 17898 1 315 . 1 1 28 28 ARG N N 15 115.247 0 . . . . . A 28 ARG N . 17898 1 316 . 1 1 29 29 GLN H H 1 8.92941 0 . . . . . A 29 GLN H . 17898 1 317 . 1 1 29 29 GLN HA H 1 4.26241 0 . . . . . A 29 GLN HA . 17898 1 318 . 1 1 29 29 GLN HB2 H 1 2.25241 0 . . . . . A 29 GLN HB2 . 17898 1 319 . 1 1 29 29 GLN HB3 H 1 2.36841 0 . . . . . A 29 GLN HB3 . 17898 1 320 . 1 1 29 29 GLN HG2 H 1 2.65641 0 . . . . . A 29 GLN HG2 . 17898 1 321 . 1 1 29 29 GLN HG3 H 1 2.70941 0 . . . . . A 29 GLN HG3 . 17898 1 322 . 1 1 29 29 GLN HE21 H 1 7.89441 0 . . . . . A 29 GLN HE21 . 17898 1 323 . 1 1 29 29 GLN HE22 H 1 7.24141 0 . . . . . A 29 GLN HE22 . 17898 1 324 . 1 1 29 29 GLN CA C 13 60.013 0 . . . . . A 29 GLN CA . 17898 1 325 . 1 1 29 29 GLN CB C 13 28.468 0 . . . . . A 29 GLN CB . 17898 1 326 . 1 1 29 29 GLN CG C 13 34.737 0 . . . . . A 29 GLN CG . 17898 1 327 . 1 1 29 29 GLN N N 15 117.283 0 . . . . . A 29 GLN N . 17898 1 328 . 1 1 29 29 GLN NE2 N 15 112.726 0 . . . . . A 29 GLN NE2 . 17898 1 329 . 1 1 30 30 THR H H 1 8.23141 0 . . . . . A 30 THR H . 17898 1 330 . 1 1 30 30 THR HA H 1 4.51741 0 . . . . . A 30 THR HA . 17898 1 331 . 1 1 30 30 THR HB H 1 3.99841 0 . . . . . A 30 THR HB . 17898 1 332 . 1 1 30 30 THR HG21 H 1 0.97141 0 . . . . . A 30 THR HG21 . 17898 1 333 . 1 1 30 30 THR HG22 H 1 0.97141 0 . . . . . A 30 THR HG22 . 17898 1 334 . 1 1 30 30 THR HG23 H 1 0.97141 0 . . . . . A 30 THR HG23 . 17898 1 335 . 1 1 30 30 THR CA C 13 68.781 0 . . . . . A 30 THR CA . 17898 1 336 . 1 1 30 30 THR CB C 13 67.567 0 . . . . . A 30 THR CB . 17898 1 337 . 1 1 30 30 THR CG2 C 13 21.619 0 . . . . . A 30 THR CG2 . 17898 1 338 . 1 1 30 30 THR N N 15 119.955 0 . . . . . A 30 THR N . 17898 1 339 . 1 1 31 31 ILE H H 1 7.22241 0 . . . . . A 31 ILE H . 17898 1 340 . 1 1 31 31 ILE HA H 1 3.86241 0 . . . . . A 31 ILE HA . 17898 1 341 . 1 1 31 31 ILE HB H 1 2.39441 0 . . . . . A 31 ILE HB . 17898 1 342 . 1 1 31 31 ILE HG12 H 1 1.54341 0 . . . . . A 31 ILE HG12 . 17898 1 343 . 1 1 31 31 ILE HG13 H 1 1.84741 0 . . . . . A 31 ILE HG13 . 17898 1 344 . 1 1 31 31 ILE HG21 H 1 1.05941 0 . . . . . A 31 ILE HG21 . 17898 1 345 . 1 1 31 31 ILE HG22 H 1 1.05941 0 . . . . . A 31 ILE HG22 . 17898 1 346 . 1 1 31 31 ILE HG23 H 1 1.05941 0 . . . . . A 31 ILE HG23 . 17898 1 347 . 1 1 31 31 ILE HD11 H 1 0.74541 0 . . . . . A 31 ILE HD11 . 17898 1 348 . 1 1 31 31 ILE HD12 H 1 0.74541 0 . . . . . A 31 ILE HD12 . 17898 1 349 . 1 1 31 31 ILE HD13 H 1 0.74541 0 . . . . . A 31 ILE HD13 . 17898 1 350 . 1 1 31 31 ILE CA C 13 61.929 0 . . . . . A 31 ILE CA . 17898 1 351 . 1 1 31 31 ILE CB C 13 35.977 0 . . . . . A 31 ILE CB . 17898 1 352 . 1 1 31 31 ILE CG1 C 13 27.998 0 . . . . . A 31 ILE CG1 . 17898 1 353 . 1 1 31 31 ILE CG2 C 13 19.081 0 . . . . . A 31 ILE CG2 . 17898 1 354 . 1 1 31 31 ILE CD1 C 13 9.669 0 . . . . . A 31 ILE CD1 . 17898 1 355 . 1 1 31 31 ILE N N 15 118.777 0 . . . . . A 31 ILE N . 17898 1 356 . 1 1 32 32 ASN H H 1 8.75541 0 . . . . . A 32 ASN H . 17898 1 357 . 1 1 32 32 ASN HA H 1 4.43441 0 . . . . . A 32 ASN HA . 17898 1 358 . 1 1 32 32 ASN HB2 H 1 2.87941 0 . . . . . A 32 ASN HB2 . 17898 1 359 . 1 1 32 32 ASN HB3 H 1 2.88241 0 . . . . . A 32 ASN HB3 . 17898 1 360 . 1 1 32 32 ASN HD21 H 1 8.22541 0 . . . . . A 32 ASN HD21 . 17898 1 361 . 1 1 32 32 ASN HD22 H 1 7.36541 0 . . . . . A 32 ASN HD22 . 17898 1 362 . 1 1 32 32 ASN CA C 13 58.052 0 . . . . . A 32 ASN CA . 17898 1 363 . 1 1 32 32 ASN CB C 13 40.081 0 . . . . . A 32 ASN CB . 17898 1 364 . 1 1 32 32 ASN N N 15 118.007 0 . . . . . A 32 ASN N . 17898 1 365 . 1 1 32 32 ASN ND2 N 15 116.659 0 . . . . . A 32 ASN ND2 . 17898 1 366 . 1 1 33 33 GLY H H 1 8.75141 0 . . . . . A 33 GLY H . 17898 1 367 . 1 1 33 33 GLY N N 15 104.878 0 . . . . . A 33 GLY N . 17898 1 368 . 1 1 34 34 ILE H H 1 8.30741 0 . . . . . A 34 ILE H . 17898 1 369 . 1 1 34 34 ILE HA H 1 4.37541 0 . . . . . A 34 ILE HA . 17898 1 370 . 1 1 34 34 ILE HB H 1 2.29541 0 . . . . . A 34 ILE HB . 17898 1 371 . 1 1 34 34 ILE HG12 H 1 1.11141 0 . . . . . A 34 ILE HG12 . 17898 1 372 . 1 1 34 34 ILE HG13 H 1 2.42241 0 . . . . . A 34 ILE HG13 . 17898 1 373 . 1 1 34 34 ILE HG21 H 1 1.26741 0 . . . . . A 34 ILE HG21 . 17898 1 374 . 1 1 34 34 ILE HG22 H 1 1.26741 0 . . . . . A 34 ILE HG22 . 17898 1 375 . 1 1 34 34 ILE HG23 H 1 1.26741 0 . . . . . A 34 ILE HG23 . 17898 1 376 . 1 1 34 34 ILE HD11 H 1 0.96241 0 . . . . . A 34 ILE HD11 . 17898 1 377 . 1 1 34 34 ILE HD12 H 1 0.96241 0 . . . . . A 34 ILE HD12 . 17898 1 378 . 1 1 34 34 ILE HD13 H 1 0.96241 0 . . . . . A 34 ILE HD13 . 17898 1 379 . 1 1 34 34 ILE CA C 13 65.454 0 . . . . . A 34 ILE CA . 17898 1 380 . 1 1 34 34 ILE CB C 13 39.186 0 . . . . . A 34 ILE CB . 17898 1 381 . 1 1 34 34 ILE CG1 C 13 29.822 0 . . . . . A 34 ILE CG1 . 17898 1 382 . 1 1 34 34 ILE CG2 C 13 18.931 0 . . . . . A 34 ILE CG2 . 17898 1 383 . 1 1 34 34 ILE CD1 C 13 15.559 0 . . . . . A 34 ILE CD1 . 17898 1 384 . 1 1 34 34 ILE N N 15 122.256 0 . . . . . A 34 ILE N . 17898 1 385 . 1 1 35 35 GLU H H 1 8.70941 0 . . . . . A 35 GLU H . 17898 1 386 . 1 1 35 35 GLU HA H 1 4.37741 0 . . . . . A 35 GLU HA . 17898 1 387 . 1 1 35 35 GLU HB2 H 1 2.21541 0 . . . . . A 35 GLU HB2 . 17898 1 388 . 1 1 35 35 GLU HB3 H 1 2.49241 0 . . . . . A 35 GLU HB3 . 17898 1 389 . 1 1 35 35 GLU HG2 H 1 2.50341 0 . . . . . A 35 GLU HG2 . 17898 1 390 . 1 1 35 35 GLU HG3 H 1 2.98741 0 . . . . . A 35 GLU HG3 . 17898 1 391 . 1 1 35 35 GLU CA C 13 60.592 0 . . . . . A 35 GLU CA . 17898 1 392 . 1 1 35 35 GLU CB C 13 29.752 0 . . . . . A 35 GLU CB . 17898 1 393 . 1 1 35 35 GLU CG C 13 38.482 0 . . . . . A 35 GLU CG . 17898 1 394 . 1 1 35 35 GLU N N 15 120.621 0 . . . . . A 35 GLU N . 17898 1 395 . 1 1 36 36 LYS H H 1 8.18841 0 . . . . . A 36 LYS H . 17898 1 396 . 1 1 36 36 LYS HA H 1 4.66641 0 . . . . . A 36 LYS HA . 17898 1 397 . 1 1 36 36 LYS HB2 H 1 1.98241 0 . . . . . A 36 LYS HB2 . 17898 1 398 . 1 1 36 36 LYS HB3 H 1 2.40941 0 . . . . . A 36 LYS HB3 . 17898 1 399 . 1 1 36 36 LYS HG2 H 1 1.75741 0 . . . . . A 36 LYS HG2 . 17898 1 400 . 1 1 36 36 LYS HG3 H 1 1.84541 0 . . . . . A 36 LYS HG3 . 17898 1 401 . 1 1 36 36 LYS HD2 H 1 1.82441 0 . . . . . A 36 LYS HD2 . 17898 1 402 . 1 1 36 36 LYS HD3 H 1 1.84841 0 . . . . . A 36 LYS HD3 . 17898 1 403 . 1 1 36 36 LYS HE2 H 1 3.22041 0 . . . . . A 36 LYS HE2 . 17898 1 404 . 1 1 36 36 LYS HE3 H 1 3.20741 0 . . . . . A 36 LYS HE3 . 17898 1 405 . 1 1 36 36 LYS CA C 13 56.284 0 . . . . . A 36 LYS CA . 17898 1 406 . 1 1 36 36 LYS CB C 13 32.839 0 . . . . . A 36 LYS CB . 17898 1 407 . 1 1 36 36 LYS CG C 13 25.847 0 . . . . . A 36 LYS CG . 17898 1 408 . 1 1 36 36 LYS CD C 13 29.316 0 . . . . . A 36 LYS CD . 17898 1 409 . 1 1 36 36 LYS CE C 13 43.055 0 . . . . . A 36 LYS CE . 17898 1 410 . 1 1 36 36 LYS N N 15 115.927 0 . . . . . A 36 LYS N . 17898 1 411 . 1 1 37 37 ASN H H 1 8.30141 0 . . . . . A 37 ASN H . 17898 1 412 . 1 1 37 37 ASN HA H 1 4.79741 0 . . . . . A 37 ASN HA . 17898 1 413 . 1 1 37 37 ASN HB2 H 1 3.18941 0 . . . . . A 37 ASN HB2 . 17898 1 414 . 1 1 37 37 ASN HB3 H 1 3.40441 0 . . . . . A 37 ASN HB3 . 17898 1 415 . 1 1 37 37 ASN HD21 H 1 7.40441 0 . . . . . A 37 ASN HD21 . 17898 1 416 . 1 1 37 37 ASN HD22 H 1 7.95041 0 . . . . . A 37 ASN HD22 . 17898 1 417 . 1 1 37 37 ASN CA C 13 55.434 0 . . . . . A 37 ASN CA . 17898 1 418 . 1 1 37 37 ASN CB C 13 37.804 0 . . . . . A 37 ASN CB . 17898 1 419 . 1 1 37 37 ASN N N 15 114.474 0 . . . . . A 37 ASN N . 17898 1 420 . 1 1 37 37 ASN ND2 N 15 113.8 0 . . . . . A 37 ASN ND2 . 17898 1 421 . 1 1 38 38 LYS H H 1 8.82441 0 . . . . . A 38 LYS H . 17898 1 422 . 1 1 38 38 LYS HA H 1 4.52741 0 . . . . . A 38 LYS HA . 17898 1 423 . 1 1 38 38 LYS HB2 H 1 1.79941 0 . . . . . A 38 LYS HB2 . 17898 1 424 . 1 1 38 38 LYS HB3 H 1 2.06841 0 . . . . . A 38 LYS HB3 . 17898 1 425 . 1 1 38 38 LYS HG2 H 1 1.59041 0 . . . . . A 38 LYS HG2 . 17898 1 426 . 1 1 38 38 LYS HG3 H 1 1.68941 0 . . . . . A 38 LYS HG3 . 17898 1 427 . 1 1 38 38 LYS HD2 H 1 1.84541 0 . . . . . A 38 LYS HD2 . 17898 1 428 . 1 1 38 38 LYS HD3 H 1 1.92241 0 . . . . . A 38 LYS HD3 . 17898 1 429 . 1 1 38 38 LYS HE2 H 1 3.24341 0 . . . . . A 38 LYS HE2 . 17898 1 430 . 1 1 38 38 LYS HE3 H 1 3.25941 0 . . . . . A 38 LYS HE3 . 17898 1 431 . 1 1 38 38 LYS CA C 13 56.614 0 . . . . . A 38 LYS CA . 17898 1 432 . 1 1 38 38 LYS CB C 13 34.086 0 . . . . . A 38 LYS CB . 17898 1 433 . 1 1 38 38 LYS CG C 13 25.705 0 . . . . . A 38 LYS CG . 17898 1 434 . 1 1 38 38 LYS CD C 13 29.457 0 . . . . . A 38 LYS CD . 17898 1 435 . 1 1 38 38 LYS CE C 13 42.765 0 . . . . . A 38 LYS CE . 17898 1 436 . 1 1 38 38 LYS N N 15 115.022 0 . . . . . A 38 LYS N . 17898 1 437 . 1 1 39 39 TYR H H 1 7.16141 0 . . . . . A 39 TYR H . 17898 1 438 . 1 1 39 39 TYR HA H 1 4.77341 0 . . . . . A 39 TYR HA . 17898 1 439 . 1 1 39 39 TYR HD1 H 1 7.00441 0 . . . . . A 39 TYR HD1 . 17898 1 440 . 1 1 39 39 TYR HD2 H 1 7.00441 0 . . . . . A 39 TYR HD2 . 17898 1 441 . 1 1 39 39 TYR HE1 H 1 6.89841 0 . . . . . A 39 TYR HE1 . 17898 1 442 . 1 1 39 39 TYR HE2 H 1 6.91041 0 . . . . . A 39 TYR HE2 . 17898 1 443 . 1 1 39 39 TYR CA C 13 56.377 0 . . . . . A 39 TYR CA . 17898 1 444 . 1 1 39 39 TYR CD1 C 13 133.813 0 . . . . . A 39 TYR CD1 . 17898 1 445 . 1 1 39 39 TYR CD2 C 13 133.854 0 . . . . . A 39 TYR CD2 . 17898 1 446 . 1 1 39 39 TYR CE1 C 13 118.69 0 . . . . . A 39 TYR CE1 . 17898 1 447 . 1 1 39 39 TYR CE2 C 13 118.69 0 . . . . . A 39 TYR CE2 . 17898 1 448 . 1 1 39 39 TYR N N 15 117.018 0 . . . . . A 39 TYR N . 17898 1 449 . 1 1 40 40 ASN H H 1 8.96741 0 . . . . . A 40 ASN H . 17898 1 450 . 1 1 40 40 ASN HB2 H 1 2.76141 0 . . . . . A 40 ASN HB2 . 17898 1 451 . 1 1 40 40 ASN HB3 H 1 2.84741 0 . . . . . A 40 ASN HB3 . 17898 1 452 . 1 1 40 40 ASN HD21 H 1 7.90541 0 . . . . . A 40 ASN HD21 . 17898 1 453 . 1 1 40 40 ASN HD22 H 1 7.25941 0 . . . . . A 40 ASN HD22 . 17898 1 454 . 1 1 40 40 ASN CB C 13 39.376 0 . . . . . A 40 ASN CB . 17898 1 455 . 1 1 40 40 ASN N N 15 123.636 0 . . . . . A 40 ASN N . 17898 1 456 . 1 1 40 40 ASN ND2 N 15 113.558 0 . . . . . A 40 ASN ND2 . 17898 1 457 . 1 1 41 41 PRO HA H 1 3.95341 0 . . . . . A 41 PRO HA . 17898 1 458 . 1 1 41 41 PRO HB2 H 1 2.30941 0 . . . . . A 41 PRO HB2 . 17898 1 459 . 1 1 41 41 PRO HB3 H 1 1.94241 0 . . . . . A 41 PRO HB3 . 17898 1 460 . 1 1 41 41 PRO HG2 H 1 1.58041 0 . . . . . A 41 PRO HG2 . 17898 1 461 . 1 1 41 41 PRO HG3 H 1 1.84341 0 . . . . . A 41 PRO HG3 . 17898 1 462 . 1 1 41 41 PRO HD2 H 1 2.73641 0 . . . . . A 41 PRO HD2 . 17898 1 463 . 1 1 41 41 PRO HD3 H 1 3.32441 0 . . . . . A 41 PRO HD3 . 17898 1 464 . 1 1 41 41 PRO CA C 13 63.47 0 . . . . . A 41 PRO CA . 17898 1 465 . 1 1 41 41 PRO CB C 13 32.461 0 . . . . . A 41 PRO CB . 17898 1 466 . 1 1 41 41 PRO CG C 13 27.404 0 . . . . . A 41 PRO CG . 17898 1 467 . 1 1 41 41 PRO CD C 13 53.023 0 . . . . . A 41 PRO CD . 17898 1 468 . 1 1 42 42 SER H H 1 8.17041 0 . . . . . A 42 SER H . 17898 1 469 . 1 1 42 42 SER HA H 1 4.63441 0 . . . . . A 42 SER HA . 17898 1 470 . 1 1 42 42 SER CA C 13 58.198 0 . . . . . A 42 SER CA . 17898 1 471 . 1 1 42 42 SER N N 15 125.765 0 . . . . . A 42 SER N . 17898 1 472 . 1 1 43 43 LEU H H 1 9.38541 0 . . . . . A 43 LEU H . 17898 1 473 . 1 1 43 43 LEU HA H 1 4.07741 0 . . . . . A 43 LEU HA . 17898 1 474 . 1 1 43 43 LEU HD11 H 1 0.40041 0 . . . . . A 43 LEU HD11 . 17898 1 475 . 1 1 43 43 LEU HD12 H 1 0.40041 0 . . . . . A 43 LEU HD12 . 17898 1 476 . 1 1 43 43 LEU HD13 H 1 0.40041 0 . . . . . A 43 LEU HD13 . 17898 1 477 . 1 1 43 43 LEU HD21 H 1 0.80441 0 . . . . . A 43 LEU HD21 . 17898 1 478 . 1 1 43 43 LEU HD22 H 1 0.80441 0 . . . . . A 43 LEU HD22 . 17898 1 479 . 1 1 43 43 LEU HD23 H 1 0.80441 0 . . . . . A 43 LEU HD23 . 17898 1 480 . 1 1 43 43 LEU CA C 13 59.245 0 . . . . . A 43 LEU CA . 17898 1 481 . 1 1 43 43 LEU CD1 C 13 26.092 0 . . . . . A 43 LEU CD1 . 17898 1 482 . 1 1 43 43 LEU CD2 C 13 23.933 0 . . . . . A 43 LEU CD2 . 17898 1 483 . 1 1 43 43 LEU N N 15 120.617 0 . . . . . A 43 LEU N . 17898 1 484 . 1 1 44 44 GLN H H 1 9.01541 0 . . . . . A 44 GLN H . 17898 1 485 . 1 1 44 44 GLN HA H 1 3.79841 0 . . . . . A 44 GLN HA . 17898 1 486 . 1 1 44 44 GLN HB2 H 1 2.34741 0 . . . . . A 44 GLN HB2 . 17898 1 487 . 1 1 44 44 GLN HB3 H 1 2.19841 0 . . . . . A 44 GLN HB3 . 17898 1 488 . 1 1 44 44 GLN HG2 H 1 2.35141 0 . . . . . A 44 GLN HG2 . 17898 1 489 . 1 1 44 44 GLN HG3 H 1 2.40041 0 . . . . . A 44 GLN HG3 . 17898 1 490 . 1 1 44 44 GLN HE21 H 1 7.29541 0 . . . . . A 44 GLN HE21 . 17898 1 491 . 1 1 44 44 GLN HE22 H 1 7.86641 0 . . . . . A 44 GLN HE22 . 17898 1 492 . 1 1 44 44 GLN CA C 13 60.872 0 . . . . . A 44 GLN CA . 17898 1 493 . 1 1 44 44 GLN CB C 13 29.15 0 . . . . . A 44 GLN CB . 17898 1 494 . 1 1 44 44 GLN CG C 13 35.296 0 . . . . . A 44 GLN CG . 17898 1 495 . 1 1 44 44 GLN N N 15 115.972 0 . . . . . A 44 GLN N . 17898 1 496 . 1 1 44 44 GLN NE2 N 15 114.122 0 . . . . . A 44 GLN NE2 . 17898 1 497 . 1 1 45 45 LEU H H 1 8.19241 0 . . . . . A 45 LEU H . 17898 1 498 . 1 1 45 45 LEU HA H 1 3.72341 0 . . . . . A 45 LEU HA . 17898 1 499 . 1 1 45 45 LEU HG H 1 1.81341 0 . . . . . A 45 LEU HG . 17898 1 500 . 1 1 45 45 LEU HD11 H 1 1.15941 0 . . . . . A 45 LEU HD11 . 17898 1 501 . 1 1 45 45 LEU HD12 H 1 1.15941 0 . . . . . A 45 LEU HD12 . 17898 1 502 . 1 1 45 45 LEU HD13 H 1 1.15941 0 . . . . . A 45 LEU HD13 . 17898 1 503 . 1 1 45 45 LEU HD21 H 1 1.19541 0 . . . . . A 45 LEU HD21 . 17898 1 504 . 1 1 45 45 LEU HD22 H 1 1.19541 0 . . . . . A 45 LEU HD22 . 17898 1 505 . 1 1 45 45 LEU HD23 H 1 1.19541 0 . . . . . A 45 LEU HD23 . 17898 1 506 . 1 1 45 45 LEU CA C 13 54.862 0 . . . . . A 45 LEU CA . 17898 1 507 . 1 1 45 45 LEU CG C 13 27.083 0 . . . . . A 45 LEU CG . 17898 1 508 . 1 1 45 45 LEU CD1 C 13 27.413 0 . . . . . A 45 LEU CD1 . 17898 1 509 . 1 1 45 45 LEU CD2 C 13 24.291 0 . . . . . A 45 LEU CD2 . 17898 1 510 . 1 1 45 45 LEU N N 15 119.443 0 . . . . . A 45 LEU N . 17898 1 511 . 1 1 46 46 ALA H H 1 8.59441 0 . . . . . A 46 ALA H . 17898 1 512 . 1 1 46 46 ALA HA H 1 4.12341 0 . . . . . A 46 ALA HA . 17898 1 513 . 1 1 46 46 ALA HB1 H 1 1.42141 0 . . . . . A 46 ALA HB1 . 17898 1 514 . 1 1 46 46 ALA HB2 H 1 1.42141 0 . . . . . A 46 ALA HB2 . 17898 1 515 . 1 1 46 46 ALA HB3 H 1 1.42141 0 . . . . . A 46 ALA HB3 . 17898 1 516 . 1 1 46 46 ALA CA C 13 56.485 0 . . . . . A 46 ALA CA . 17898 1 517 . 1 1 46 46 ALA CB C 13 20.741 0 . . . . . A 46 ALA CB . 17898 1 518 . 1 1 46 46 ALA N N 15 120.485 0 . . . . . A 46 ALA N . 17898 1 519 . 1 1 47 47 LEU H H 1 8.82441 0 . . . . . A 47 LEU H . 17898 1 520 . 1 1 47 47 LEU HA H 1 4.27541 0 . . . . . A 47 LEU HA . 17898 1 521 . 1 1 47 47 LEU HD11 H 1 1.19041 0 . . . . . A 47 LEU HD11 . 17898 1 522 . 1 1 47 47 LEU HD12 H 1 1.19041 0 . . . . . A 47 LEU HD12 . 17898 1 523 . 1 1 47 47 LEU HD13 H 1 1.19041 0 . . . . . A 47 LEU HD13 . 17898 1 524 . 1 1 47 47 LEU HD21 H 1 0.93241 0 . . . . . A 47 LEU HD21 . 17898 1 525 . 1 1 47 47 LEU HD22 H 1 0.93241 0 . . . . . A 47 LEU HD22 . 17898 1 526 . 1 1 47 47 LEU HD23 H 1 0.93241 0 . . . . . A 47 LEU HD23 . 17898 1 527 . 1 1 47 47 LEU CA C 13 58.401 0 . . . . . A 47 LEU CA . 17898 1 528 . 1 1 47 47 LEU CD1 C 13 24.765 0 . . . . . A 47 LEU CD1 . 17898 1 529 . 1 1 47 47 LEU CD2 C 13 27.655 0 . . . . . A 47 LEU CD2 . 17898 1 530 . 1 1 47 47 LEU N N 15 116.554 0 . . . . . A 47 LEU N . 17898 1 531 . 1 1 48 48 LYS H H 1 8.13141 0 . . . . . A 48 LYS H . 17898 1 532 . 1 1 48 48 LYS HA H 1 3.74441 0 . . . . . A 48 LYS HA . 17898 1 533 . 1 1 48 48 LYS CA C 13 60.727 0 . . . . . A 48 LYS CA . 17898 1 534 . 1 1 48 48 LYS N N 15 121.029 0 . . . . . A 48 LYS N . 17898 1 535 . 1 1 49 49 ILE H H 1 8.88541 0 . . . . . A 49 ILE H . 17898 1 536 . 1 1 49 49 ILE HA H 1 3.73741 0 . . . . . A 49 ILE HA . 17898 1 537 . 1 1 49 49 ILE HG12 H 1 1.13541 0 . . . . . A 49 ILE HG12 . 17898 1 538 . 1 1 49 49 ILE HG13 H 1 2.47641 0 . . . . . A 49 ILE HG13 . 17898 1 539 . 1 1 49 49 ILE HG21 H 1 1.18941 0 . . . . . A 49 ILE HG21 . 17898 1 540 . 1 1 49 49 ILE HG22 H 1 1.18941 0 . . . . . A 49 ILE HG22 . 17898 1 541 . 1 1 49 49 ILE HG23 H 1 1.18941 0 . . . . . A 49 ILE HG23 . 17898 1 542 . 1 1 49 49 ILE HD11 H 1 1.07841 0 . . . . . A 49 ILE HD11 . 17898 1 543 . 1 1 49 49 ILE HD12 H 1 1.07841 0 . . . . . A 49 ILE HD12 . 17898 1 544 . 1 1 49 49 ILE HD13 H 1 1.07841 0 . . . . . A 49 ILE HD13 . 17898 1 545 . 1 1 49 49 ILE CA C 13 68.102 0 . . . . . A 49 ILE CA . 17898 1 546 . 1 1 49 49 ILE CG1 C 13 32.73 0 . . . . . A 49 ILE CG1 . 17898 1 547 . 1 1 49 49 ILE CG2 C 13 20.046 0 . . . . . A 49 ILE CG2 . 17898 1 548 . 1 1 49 49 ILE CD1 C 13 14.51 0 . . . . . A 49 ILE CD1 . 17898 1 549 . 1 1 49 49 ILE N N 15 120.454 0 . . . . . A 49 ILE N . 17898 1 550 . 1 1 50 50 ALA H H 1 8.28041 0 . . . . . A 50 ALA H . 17898 1 551 . 1 1 50 50 ALA HA H 1 4.17641 0 . . . . . A 50 ALA HA . 17898 1 552 . 1 1 50 50 ALA HB1 H 1 1.88441 0 . . . . . A 50 ALA HB1 . 17898 1 553 . 1 1 50 50 ALA HB2 H 1 1.88441 0 . . . . . A 50 ALA HB2 . 17898 1 554 . 1 1 50 50 ALA HB3 H 1 1.88441 0 . . . . . A 50 ALA HB3 . 17898 1 555 . 1 1 50 50 ALA CA C 13 56.296 0 . . . . . A 50 ALA CA . 17898 1 556 . 1 1 50 50 ALA CB C 13 18.932 0 . . . . . A 50 ALA CB . 17898 1 557 . 1 1 50 50 ALA N N 15 120.394 0 . . . . . A 50 ALA N . 17898 1 558 . 1 1 51 51 TYR H H 1 8.25041 0 . . . . . A 51 TYR H . 17898 1 559 . 1 1 51 51 TYR HA H 1 4.43441 0 . . . . . A 51 TYR HA . 17898 1 560 . 1 1 51 51 TYR HD1 H 1 6.64841 0 . . . . . A 51 TYR HD1 . 17898 1 561 . 1 1 51 51 TYR HD2 H 1 6.63941 0 . . . . . A 51 TYR HD2 . 17898 1 562 . 1 1 51 51 TYR HE1 H 1 6.79841 0 . . . . . A 51 TYR HE1 . 17898 1 563 . 1 1 51 51 TYR HE2 H 1 6.81241 0 . . . . . A 51 TYR HE2 . 17898 1 564 . 1 1 51 51 TYR CA C 13 62.296 0 . . . . . A 51 TYR CA . 17898 1 565 . 1 1 51 51 TYR CD1 C 13 133.95 0 . . . . . A 51 TYR CD1 . 17898 1 566 . 1 1 51 51 TYR CD2 C 13 133.917 0 . . . . . A 51 TYR CD2 . 17898 1 567 . 1 1 51 51 TYR CE1 C 13 118.695 0 . . . . . A 51 TYR CE1 . 17898 1 568 . 1 1 51 51 TYR CE2 C 13 118.69 0 . . . . . A 51 TYR CE2 . 17898 1 569 . 1 1 51 51 TYR N N 15 117.083 0 . . . . . A 51 TYR N . 17898 1 570 . 1 1 52 52 TYR H H 1 9.15441 0 . . . . . A 52 TYR H . 17898 1 571 . 1 1 52 52 TYR HA H 1 4.37241 0 . . . . . A 52 TYR HA . 17898 1 572 . 1 1 52 52 TYR HE1 H 1 7.08741 0 . . . . . A 52 TYR HE1 . 17898 1 573 . 1 1 52 52 TYR HE2 H 1 7.08541 0 . . . . . A 52 TYR HE2 . 17898 1 574 . 1 1 52 52 TYR CA C 13 63.752 0 . . . . . A 52 TYR CA . 17898 1 575 . 1 1 52 52 TYR CE1 C 13 118.624 0 . . . . . A 52 TYR CE1 . 17898 1 576 . 1 1 52 52 TYR CE2 C 13 118.462 0 . . . . . A 52 TYR CE2 . 17898 1 577 . 1 1 52 52 TYR N N 15 118.569 0 . . . . . A 52 TYR N . 17898 1 578 . 1 1 53 53 LEU H H 1 8.50641 0 . . . . . A 53 LEU H . 17898 1 579 . 1 1 53 53 LEU HA H 1 4.64541 0 . . . . . A 53 LEU HA . 17898 1 580 . 1 1 53 53 LEU HD11 H 1 0.95341 0 . . . . . A 53 LEU HD11 . 17898 1 581 . 1 1 53 53 LEU HD12 H 1 0.95341 0 . . . . . A 53 LEU HD12 . 17898 1 582 . 1 1 53 53 LEU HD13 H 1 0.95341 0 . . . . . A 53 LEU HD13 . 17898 1 583 . 1 1 53 53 LEU HD21 H 1 0.86941 0 . . . . . A 53 LEU HD21 . 17898 1 584 . 1 1 53 53 LEU HD22 H 1 0.86941 0 . . . . . A 53 LEU HD22 . 17898 1 585 . 1 1 53 53 LEU HD23 H 1 0.86941 0 . . . . . A 53 LEU HD23 . 17898 1 586 . 1 1 53 53 LEU CA C 13 55.136 0 . . . . . A 53 LEU CA . 17898 1 587 . 1 1 53 53 LEU CD1 C 13 24.599 0 . . . . . A 53 LEU CD1 . 17898 1 588 . 1 1 53 53 LEU CD2 C 13 27.19 0 . . . . . A 53 LEU CD2 . 17898 1 589 . 1 1 53 53 LEU N N 15 115.465 0 . . . . . A 53 LEU N . 17898 1 590 . 1 1 54 54 ASN H H 1 8.16241 0 . . . . . A 54 ASN H . 17898 1 591 . 1 1 54 54 ASN HA H 1 4.51341 0 . . . . . A 54 ASN HA . 17898 1 592 . 1 1 54 54 ASN HB2 H 1 2.63541 0 . . . . . A 54 ASN HB2 . 17898 1 593 . 1 1 54 54 ASN HB3 H 1 3.14541 0 . . . . . A 54 ASN HB3 . 17898 1 594 . 1 1 54 54 ASN HD21 H 1 7.17741 0 . . . . . A 54 ASN HD21 . 17898 1 595 . 1 1 54 54 ASN HD22 H 1 7.89041 0 . . . . . A 54 ASN HD22 . 17898 1 596 . 1 1 54 54 ASN CA C 13 54.655 0 . . . . . A 54 ASN CA . 17898 1 597 . 1 1 54 54 ASN CB C 13 38.485 0 . . . . . A 54 ASN CB . 17898 1 598 . 1 1 54 54 ASN N N 15 122.105 0 . . . . . A 54 ASN N . 17898 1 599 . 1 1 54 54 ASN ND2 N 15 112.567 0 . . . . . A 54 ASN ND2 . 17898 1 600 . 1 1 55 55 THR H H 1 8.34041 0 . . . . . A 55 THR H . 17898 1 601 . 1 1 55 55 THR HA H 1 5.07741 0 . . . . . A 55 THR HA . 17898 1 602 . 1 1 55 55 THR HB H 1 3.95141 0 . . . . . A 55 THR HB . 17898 1 603 . 1 1 55 55 THR HG21 H 1 1.55441 0 . . . . . A 55 THR HG21 . 17898 1 604 . 1 1 55 55 THR HG22 H 1 1.55441 0 . . . . . A 55 THR HG22 . 17898 1 605 . 1 1 55 55 THR HG23 H 1 1.55441 0 . . . . . A 55 THR HG23 . 17898 1 606 . 1 1 55 55 THR CA C 13 60.889 0 . . . . . A 55 THR CA . 17898 1 607 . 1 1 55 55 THR CB C 13 75.5 0 . . . . . A 55 THR CB . 17898 1 608 . 1 1 55 55 THR CG2 C 13 21.216 0 . . . . . A 55 THR CG2 . 17898 1 609 . 1 1 55 55 THR N N 15 114.942 0 . . . . . A 55 THR N . 17898 1 610 . 1 1 56 56 PRO HA H 1 4.64241 0 . . . . . A 56 PRO HA . 17898 1 611 . 1 1 56 56 PRO HB2 H 1 2.73641 0 . . . . . A 56 PRO HB2 . 17898 1 612 . 1 1 56 56 PRO HB3 H 1 2.06041 0 . . . . . A 56 PRO HB3 . 17898 1 613 . 1 1 56 56 PRO CA C 13 63.276 0 . . . . . A 56 PRO CA . 17898 1 614 . 1 1 56 56 PRO CB C 13 32.235 0 . . . . . A 56 PRO CB . 17898 1 615 . 1 1 57 57 LEU HA H 1 4.23441 0 . . . . . A 57 LEU HA . 17898 1 616 . 1 1 57 57 LEU HD11 H 1 1.29841 0 . . . . . A 57 LEU HD11 . 17898 1 617 . 1 1 57 57 LEU HD12 H 1 1.29841 0 . . . . . A 57 LEU HD12 . 17898 1 618 . 1 1 57 57 LEU HD13 H 1 1.29841 0 . . . . . A 57 LEU HD13 . 17898 1 619 . 1 1 57 57 LEU HD21 H 1 1.23841 0 . . . . . A 57 LEU HD21 . 17898 1 620 . 1 1 57 57 LEU HD22 H 1 1.23841 0 . . . . . A 57 LEU HD22 . 17898 1 621 . 1 1 57 57 LEU HD23 H 1 1.23841 0 . . . . . A 57 LEU HD23 . 17898 1 622 . 1 1 57 57 LEU CA C 13 60.622 0 . . . . . A 57 LEU CA . 17898 1 623 . 1 1 57 57 LEU CD1 C 13 27.339 0 . . . . . A 57 LEU CD1 . 17898 1 624 . 1 1 57 57 LEU CD2 C 13 28.295 0 . . . . . A 57 LEU CD2 . 17898 1 625 . 1 1 58 58 GLU H H 1 9.45041 0 . . . . . A 58 GLU H . 17898 1 626 . 1 1 58 58 GLU HA H 1 4.82541 0 . . . . . A 58 GLU HA . 17898 1 627 . 1 1 58 58 GLU CA C 13 59.809 0 . . . . . A 58 GLU CA . 17898 1 628 . 1 1 58 58 GLU N N 15 123.079 0 . . . . . A 58 GLU N . 17898 1 629 . 1 1 59 59 ASP H H 1 8.09841 0 . . . . . A 59 ASP H . 17898 1 630 . 1 1 59 59 ASP HA H 1 4.65341 0 . . . . . A 59 ASP HA . 17898 1 631 . 1 1 59 59 ASP HB2 H 1 2.74341 0 . . . . . A 59 ASP HB2 . 17898 1 632 . 1 1 59 59 ASP HB3 H 1 3.08441 0 . . . . . A 59 ASP HB3 . 17898 1 633 . 1 1 59 59 ASP CA C 13 56.625 0 . . . . . A 59 ASP CA . 17898 1 634 . 1 1 59 59 ASP CB C 13 40.891 0 . . . . . A 59 ASP CB . 17898 1 635 . 1 1 59 59 ASP N N 15 117.677 0 . . . . . A 59 ASP N . 17898 1 636 . 1 1 60 60 ILE H H 1 8.30141 0 . . . . . A 60 ILE H . 17898 1 637 . 1 1 60 60 ILE HG13 H 1 0.65241 0 . . . . . A 60 ILE HG13 . 17898 1 638 . 1 1 60 60 ILE HG21 H 1 0.96241 0 . . . . . A 60 ILE HG21 . 17898 1 639 . 1 1 60 60 ILE HG22 H 1 0.96241 0 . . . . . A 60 ILE HG22 . 17898 1 640 . 1 1 60 60 ILE HG23 H 1 0.96241 0 . . . . . A 60 ILE HG23 . 17898 1 641 . 1 1 60 60 ILE HD11 H 1 0.16641 0 . . . . . A 60 ILE HD11 . 17898 1 642 . 1 1 60 60 ILE HD12 H 1 0.16641 0 . . . . . A 60 ILE HD12 . 17898 1 643 . 1 1 60 60 ILE HD13 H 1 0.16641 0 . . . . . A 60 ILE HD13 . 17898 1 644 . 1 1 60 60 ILE CG1 C 13 27.984 0 . . . . . A 60 ILE CG1 . 17898 1 645 . 1 1 60 60 ILE CG2 C 13 15.559 0 . . . . . A 60 ILE CG2 . 17898 1 646 . 1 1 60 60 ILE CD1 C 13 19.296 0 . . . . . A 60 ILE CD1 . 17898 1 647 . 1 1 60 60 ILE N N 15 119.506 0 . . . . . A 60 ILE N . 17898 1 648 . 1 1 61 61 PHE H H 1 8.61141 0 . . . . . A 61 PHE H . 17898 1 649 . 1 1 61 61 PHE N N 15 115.913 0 . . . . . A 61 PHE N . 17898 1 650 . 1 1 62 62 GLN H H 1 8.87141 0 . . . . . A 62 GLN H . 17898 1 651 . 1 1 62 62 GLN HG2 H 1 2.45841 0 . . . . . A 62 GLN HG2 . 17898 1 652 . 1 1 62 62 GLN HG3 H 1 2.57741 0 . . . . . A 62 GLN HG3 . 17898 1 653 . 1 1 62 62 GLN HE21 H 1 6.77641 0 . . . . . A 62 GLN HE21 . 17898 1 654 . 1 1 62 62 GLN HE22 H 1 7.77741 0 . . . . . A 62 GLN HE22 . 17898 1 655 . 1 1 62 62 GLN CG C 13 34.568 0 . . . . . A 62 GLN CG . 17898 1 656 . 1 1 62 62 GLN N N 15 116.558 0 . . . . . A 62 GLN N . 17898 1 657 . 1 1 62 62 GLN NE2 N 15 111.025 0 . . . . . A 62 GLN NE2 . 17898 1 658 . 1 1 63 63 TRP H H 1 9.57841 0 . . . . . A 63 TRP H . 17898 1 659 . 1 1 63 63 TRP N N 15 125.624 0 . . . . . A 63 TRP N . 17898 1 660 . 1 1 64 64 GLN H H 1 8.08641 0 . . . . . A 64 GLN H . 17898 1 661 . 1 1 64 64 GLN HB2 H 1 1.80941 0 . . . . . A 64 GLN HB2 . 17898 1 662 . 1 1 64 64 GLN HB3 H 1 1.98341 0 . . . . . A 64 GLN HB3 . 17898 1 663 . 1 1 64 64 GLN HG2 H 1 2.21341 0 . . . . . A 64 GLN HG2 . 17898 1 664 . 1 1 64 64 GLN HG3 H 1 2.20041 0 . . . . . A 64 GLN HG3 . 17898 1 665 . 1 1 64 64 GLN HE21 H 1 7.17241 0 . . . . . A 64 GLN HE21 . 17898 1 666 . 1 1 64 64 GLN HE22 H 1 7.74241 0 . . . . . A 64 GLN HE22 . 17898 1 667 . 1 1 64 64 GLN CB C 13 31.573 0 . . . . . A 64 GLN CB . 17898 1 668 . 1 1 64 64 GLN CG C 13 34.044 0 . . . . . A 64 GLN CG . 17898 1 669 . 1 1 64 64 GLN N N 15 127.215 0 . . . . . A 64 GLN N . 17898 1 670 . 1 1 64 64 GLN NE2 N 15 112.954 0 . . . . . A 64 GLN NE2 . 17898 1 671 . 1 1 65 65 PRO HA H 1 4.77341 0 . . . . . A 65 PRO HA . 17898 1 672 . 1 1 65 65 PRO CA C 13 62.8 0 . . . . . A 65 PRO CA . 17898 1 673 . 1 1 66 66 GLU H H 1 7.57141 0 . . . . . A 66 GLU H . 17898 1 674 . 1 1 66 66 GLU N N 15 123.498 0 . . . . . A 66 GLU N . 17898 1 stop_ save_