data_4972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4972 _Entry.Title ; 1H, 13C, and 15N assignment of Crh, a protein involved in carbon catabolite repression in B. subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-03-14 _Entry.Accession_date 2001-03-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Adrien Favier . . . 4972 2 Bernhard Brutscher . . . 4972 3 M. Blackledge . . . 4972 4 Anne Galinier . . . 4972 5 J. Deutscher . . . 4972 6 Francois Penin . . . 4972 7 Dominique Marion . . . 4972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 604 4972 '13C chemical shifts' 354 4972 '15N chemical shifts' 91 4972 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 1 . . 2003-04-09 . update BMRB 'addition of relation loop' 4972 2 . . 2002-09-23 . original author 'original release' 4972 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5757 'Crh dimer' 4972 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4972 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21914565 _Citation.DOI . _Citation.PubMed_ID 11916384 _Citation.Full_citation . _Citation.Title ; Solution structure and dynamics of Crh, the Bacillus subtilis catabolite repression HPr ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 317 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 131 _Citation.Page_last 144 _Citation.Year 2002 _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 Adrien Favier . . . 4972 1 2 Bernhard Brutscher . . . 4972 1 3 M. Blackledge . . . 4972 1 4 Anne Galinier . . . 4972 1 5 J. Deutscher . . . 4972 1 6 Francois Penin . . . 4972 1 7 Dominique Marion . . . 4972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Crh _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Crh _Assembly.Entry_ID 4972 _Assembly.ID 1 _Assembly.Name Crh _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4972 1 stop_ 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 Crh 1 $crh_monomer . . . native . . . . . 4972 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Crh system 4972 1 Crh abbreviation 4972 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phospho-carrier protein' 4972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_crh_monomer _Entity.Sf_category entity _Entity.Sf_framecode crh_monomer _Entity.Entry_ID 4972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'catabolite repression HPr' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVQQKVEVRLKTGLQARPAA LFVQEANRFTSDVFLEKDGK KVNAKSIMGLMSLAVSTGTE VTLIAQGEDEQEALEKLAAY VQEEVLQ ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 5757 . Crh . . . . . 100.00 93 100.00 100.00 1.05e-53 . . . . 4972 1 2 no PDB 1K1C . "Solution Structure Of Crh, The Bacillus Subtilis Catabolite Repression Hpr" . . . . . 96.55 84 100.00 100.00 1.02e-50 . . . . 4972 1 3 no PDB 1MO1 . "Crystal Structure At 1.8 Angstroms Of Seleno Methionyled Crh, The Bacillus Subtilis Catabolite Repression Containing Protein Cr" . . . . . 100.00 87 97.70 97.70 7.10e-51 . . . . 4972 1 4 no PDB 1MU4 . "Crystal Structure At 1.8 Angstroms Of The Bacillus Subtilis Catabolite Repression Histidine Containing Protein (crh)" . . . . . 100.00 87 100.00 100.00 5.40e-53 . . . . 4972 1 5 no PDB 2AK7 . "Structure Of A Dimeric P-Ser-Crh" . . . . . 98.85 86 98.84 98.84 1.85e-51 . . . . 4972 1 6 no PDB 2RLZ . "Solid-State Mas Nmr Structure Of The Dimer Crh" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 7 no DBJ BAI87096 . "phosphocarrier protein Chr [Bacillus subtilis subsp. natto BEST195]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 8 no DBJ BAM55550 . "phosphocarrier protein Chr [Bacillus subtilis BEST7613]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 9 no DBJ BAM59563 . "phosphocarrier protein Chr [Bacillus subtilis BEST7003]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 10 no DBJ GAK79281 . "phosphocarrier protein Chr [Bacillus subtilis Miyagi-4]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 11 no EMBL CAB08060 . "hypothetical protein [Bacillus subtilis]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 12 no EMBL CAB15479 . "catabolite repression HPr-like protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 13 no EMBL CCU60557 . "Catabolite repression HPr-like protein Crh [Bacillus subtilis E1]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 14 no EMBL CEI59278 . "HPr-like protein Crh [Bacillus subtilis]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 15 no EMBL CEJ79135 . "HPr-like protein Crh [Bacillus sp.]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 16 no GB ADM39440 . "catabolite repression HPr-like protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 17 no GB ADV94285 . "phosphocarrier protein Chr [Bacillus subtilis BSn5]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 18 no GB AEP88381 . "HPr like protein, Crh [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 19 no GB AEP92509 . "HPr like protein, Crh [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 20 no GB AFI30049 . "phosphocarrier protein Chr [Bacillus sp. JS]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 21 no REF NP_391354 . "HPr-like protein Crh [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 22 no REF WP_003219835 . "MULTISPECIES: phosphate ABC transporter permease [Bacillales]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 23 no REF WP_024122965 . "phosphate ABC transporter permease [Bacillus mojavensis]" . . . . . 97.70 85 97.65 100.00 1.21e-50 . . . . 4972 1 24 no REF WP_024713407 . "phosphocarrier protein Chr [Bacillus tequilensis]" . . . . . 97.70 85 98.82 98.82 7.15e-51 . . . . 4972 1 25 no REF YP_003867749 . "catabolite repression HPr-like protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 26 no SP O06976 . "RecName: Full=HPr-like protein Crh; AltName: Full=Catabolite repression HPr [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.70 85 100.00 100.00 1.15e-51 . . . . 4972 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'catabolite repression HPr' common 4972 1 Crh abbreviation 4972 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 . 4972 1 2 . VAL . 4972 1 3 . GLN . 4972 1 4 . GLN . 4972 1 5 . LYS . 4972 1 6 . VAL . 4972 1 7 . GLU . 4972 1 8 . VAL . 4972 1 9 . ARG . 4972 1 10 . LEU . 4972 1 11 . LYS . 4972 1 12 . THR . 4972 1 13 . GLY . 4972 1 14 . LEU . 4972 1 15 . GLN . 4972 1 16 . ALA . 4972 1 17 . ARG . 4972 1 18 . PRO . 4972 1 19 . ALA . 4972 1 20 . ALA . 4972 1 21 . LEU . 4972 1 22 . PHE . 4972 1 23 . VAL . 4972 1 24 . GLN . 4972 1 25 . GLU . 4972 1 26 . ALA . 4972 1 27 . ASN . 4972 1 28 . ARG . 4972 1 29 . PHE . 4972 1 30 . THR . 4972 1 31 . SER . 4972 1 32 . ASP . 4972 1 33 . VAL . 4972 1 34 . PHE . 4972 1 35 . LEU . 4972 1 36 . GLU . 4972 1 37 . LYS . 4972 1 38 . ASP . 4972 1 39 . GLY . 4972 1 40 . LYS . 4972 1 41 . LYS . 4972 1 42 . VAL . 4972 1 43 . ASN . 4972 1 44 . ALA . 4972 1 45 . LYS . 4972 1 46 . SER . 4972 1 47 . ILE . 4972 1 48 . MET . 4972 1 49 . GLY . 4972 1 50 . LEU . 4972 1 51 . MET . 4972 1 52 . SER . 4972 1 53 . LEU . 4972 1 54 . ALA . 4972 1 55 . VAL . 4972 1 56 . SER . 4972 1 57 . THR . 4972 1 58 . GLY . 4972 1 59 . THR . 4972 1 60 . GLU . 4972 1 61 . VAL . 4972 1 62 . THR . 4972 1 63 . LEU . 4972 1 64 . ILE . 4972 1 65 . ALA . 4972 1 66 . GLN . 4972 1 67 . GLY . 4972 1 68 . GLU . 4972 1 69 . ASP . 4972 1 70 . GLU . 4972 1 71 . GLN . 4972 1 72 . GLU . 4972 1 73 . ALA . 4972 1 74 . LEU . 4972 1 75 . GLU . 4972 1 76 . LYS . 4972 1 77 . LEU . 4972 1 78 . ALA . 4972 1 79 . ALA . 4972 1 80 . TYR . 4972 1 81 . VAL . 4972 1 82 . GLN . 4972 1 83 . GLU . 4972 1 84 . GLU . 4972 1 85 . VAL . 4972 1 86 . LEU . 4972 1 87 . GLN . 4972 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 4972 1 . VAL 2 2 4972 1 . GLN 3 3 4972 1 . GLN 4 4 4972 1 . LYS 5 5 4972 1 . VAL 6 6 4972 1 . GLU 7 7 4972 1 . VAL 8 8 4972 1 . ARG 9 9 4972 1 . LEU 10 10 4972 1 . LYS 11 11 4972 1 . THR 12 12 4972 1 . GLY 13 13 4972 1 . LEU 14 14 4972 1 . GLN 15 15 4972 1 . ALA 16 16 4972 1 . ARG 17 17 4972 1 . PRO 18 18 4972 1 . ALA 19 19 4972 1 . ALA 20 20 4972 1 . LEU 21 21 4972 1 . PHE 22 22 4972 1 . VAL 23 23 4972 1 . GLN 24 24 4972 1 . GLU 25 25 4972 1 . ALA 26 26 4972 1 . ASN 27 27 4972 1 . ARG 28 28 4972 1 . PHE 29 29 4972 1 . THR 30 30 4972 1 . SER 31 31 4972 1 . ASP 32 32 4972 1 . VAL 33 33 4972 1 . PHE 34 34 4972 1 . LEU 35 35 4972 1 . GLU 36 36 4972 1 . LYS 37 37 4972 1 . ASP 38 38 4972 1 . GLY 39 39 4972 1 . LYS 40 40 4972 1 . LYS 41 41 4972 1 . VAL 42 42 4972 1 . ASN 43 43 4972 1 . ALA 44 44 4972 1 . LYS 45 45 4972 1 . SER 46 46 4972 1 . ILE 47 47 4972 1 . MET 48 48 4972 1 . GLY 49 49 4972 1 . LEU 50 50 4972 1 . MET 51 51 4972 1 . SER 52 52 4972 1 . LEU 53 53 4972 1 . ALA 54 54 4972 1 . VAL 55 55 4972 1 . SER 56 56 4972 1 . THR 57 57 4972 1 . GLY 58 58 4972 1 . THR 59 59 4972 1 . GLU 60 60 4972 1 . VAL 61 61 4972 1 . THR 62 62 4972 1 . LEU 63 63 4972 1 . ILE 64 64 4972 1 . ALA 65 65 4972 1 . GLN 66 66 4972 1 . GLY 67 67 4972 1 . GLU 68 68 4972 1 . ASP 69 69 4972 1 . GLU 70 70 4972 1 . GLN 71 71 4972 1 . GLU 72 72 4972 1 . ALA 73 73 4972 1 . LEU 74 74 4972 1 . GLU 75 75 4972 1 . LYS 76 76 4972 1 . LEU 77 77 4972 1 . ALA 78 78 4972 1 . ALA 79 79 4972 1 . TYR 80 80 4972 1 . VAL 81 81 4972 1 . GLN 82 82 4972 1 . GLU 83 83 4972 1 . GLU 84 84 4972 1 . VAL 85 85 4972 1 . LEU 86 86 4972 1 . GLN 87 87 4972 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 4972 _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 $crh_monomer . 1423 . . 'Bacillus subtilis' . . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 4972 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 4972 _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 $crh_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4972 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'catabolite repression HPr' '[U-95% 13C; U-90% 15N]' . . 1 $crh_monomer . . . 0.4 0.5 mM . . . . 4972 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4972 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'catabolite repression HPr' '[U-90% 15N]' . . 1 $crh_monomer . . . 0.4 0.5 mM . . . . 4972 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4972 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 n/a 4972 1 temperature 298 0.1 K 4972 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4972 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4972 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4972 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4972 _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 NMR_spectrometer_1 VARIAN INOVA . 600 . . . 4972 1 2 NMR_spectrometer_2 VARIAN INOVA . 800 . . . 4972 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 4972 _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 '3D 15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 2 '3D 15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 6 H(C)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 7 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 8 H(C)CH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4972 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-edited TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(C)C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4972 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(C)CH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4972 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4972 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4972 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4972 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '3D 15N-edited NOESY-HSQC' . . . 4972 1 2 '3D 15N-edited TOCSY-HSQC' . . . 4972 1 3 HNCA . . . 4972 1 4 HNCO . . . 4972 1 5 CBCA(CO)NH . . . 4972 1 6 H(C)C(CO)NH-TOCSY . . . 4972 1 7 (H)C(CO)NH-TOCSY . . . 4972 1 8 H(C)CH-TOCSY . . . 4972 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN HA H 1 4.47 0.10 . 1 . . . . . . . . 4972 1 2 . 1 1 3 3 GLN HB2 H 1 2.17 0.10 . 2 . . . . . . . . 4972 1 3 . 1 1 3 3 GLN HB3 H 1 2.02 0.10 . 2 . . . . . . . . 4972 1 4 . 1 1 3 3 GLN HG2 H 1 2.40 0.10 . 2 . . . . . . . . 4972 1 5 . 1 1 3 3 GLN HG3 H 1 2.31 0.10 . 2 . . . . . . . . 4972 1 6 . 1 1 3 3 GLN CA C 13 55.08 0.02 . 1 . . . . . . . . 4972 1 7 . 1 1 3 3 GLN CB C 13 32.53 0.02 . 1 . . . . . . . . 4972 1 8 . 1 1 3 3 GLN CG C 13 30.55 0.02 . 1 . . . . . . . . 4972 1 9 . 1 1 4 4 GLN H H 1 8.81 0.10 . 1 . . . . . . . . 4972 1 10 . 1 1 4 4 GLN HA H 1 4.66 0.10 . 1 . . . . . . . . 4972 1 11 . 1 1 4 4 GLN HB2 H 1 2.10 0.10 . 1 . . . . . . . . 4972 1 12 . 1 1 4 4 GLN HB3 H 1 2.10 0.10 . 1 . . . . . . . . 4972 1 13 . 1 1 4 4 GLN C C 13 172.38 0.02 . 1 . . . . . . . . 4972 1 14 . 1 1 4 4 GLN CA C 13 59.88 0.02 . 1 . . . . . . . . 4972 1 15 . 1 1 4 4 GLN CB C 13 34.55 0.02 . 1 . . . . . . . . 4972 1 16 . 1 1 4 4 GLN N N 15 121.37 0.02 . 1 . . . . . . . . 4972 1 17 . 1 1 5 5 LYS H H 1 8.25 0.10 . 1 . . . . . . . . 4972 1 18 . 1 1 5 5 LYS HA H 1 5.66 0.10 . 1 . . . . . . . . 4972 1 19 . 1 1 5 5 LYS HB2 H 1 1.76 0.10 . 2 . . . . . . . . 4972 1 20 . 1 1 5 5 LYS HB3 H 1 1.99 0.10 . 2 . . . . . . . . 4972 1 21 . 1 1 5 5 LYS HD2 H 1 2.00 0.10 . 2 . . . . . . . . 4972 1 22 . 1 1 5 5 LYS HD3 H 1 2.13 0.10 . 2 . . . . . . . . 4972 1 23 . 1 1 5 5 LYS C C 13 173.12 0.02 . 1 . . . . . . . . 4972 1 24 . 1 1 5 5 LYS CA C 13 53.36 0.02 . 1 . . . . . . . . 4972 1 25 . 1 1 5 5 LYS CB C 13 32.62 0.02 . 1 . . . . . . . . 4972 1 26 . 1 1 5 5 LYS CD C 13 31.95 0.02 . 1 . . . . . . . . 4972 1 27 . 1 1 5 5 LYS N N 15 116.16 0.02 . 1 . . . . . . . . 4972 1 28 . 1 1 6 6 VAL H H 1 8.77 0.10 . 1 . . . . . . . . 4972 1 29 . 1 1 6 6 VAL HA H 1 4.39 0.10 . 1 . . . . . . . . 4972 1 30 . 1 1 6 6 VAL HB H 1 2.21 0.10 . 1 . . . . . . . . 4972 1 31 . 1 1 6 6 VAL HG11 H 1 2.05 0.10 . 2 . . . . . . . . 4972 1 32 . 1 1 6 6 VAL HG12 H 1 2.05 0.10 . 2 . . . . . . . . 4972 1 33 . 1 1 6 6 VAL HG13 H 1 2.05 0.10 . 2 . . . . . . . . 4972 1 34 . 1 1 6 6 VAL HG21 H 1 1.74 0.10 . 2 . . . . . . . . 4972 1 35 . 1 1 6 6 VAL HG22 H 1 1.74 0.10 . 2 . . . . . . . . 4972 1 36 . 1 1 6 6 VAL HG23 H 1 1.74 0.10 . 2 . . . . . . . . 4972 1 37 . 1 1 6 6 VAL C C 13 175.73 0.02 . 1 . . . . . . . . 4972 1 38 . 1 1 6 6 VAL CA C 13 55.47 0.02 . 1 . . . . . . . . 4972 1 39 . 1 1 6 6 VAL CB C 13 33.23 0.02 . 1 . . . . . . . . 4972 1 40 . 1 1 6 6 VAL N N 15 119.92 0.02 . 1 . . . . . . . . 4972 1 41 . 1 1 7 7 GLU H H 1 8.63 0.10 . 1 . . . . . . . . 4972 1 42 . 1 1 7 7 GLU HA H 1 5.04 0.10 . 1 . . . . . . . . 4972 1 43 . 1 1 7 7 GLU HB2 H 1 1.92 0.10 . 2 . . . . . . . . 4972 1 44 . 1 1 7 7 GLU HB3 H 1 1.79 0.10 . 2 . . . . . . . . 4972 1 45 . 1 1 7 7 GLU HG2 H 1 2.12 0.10 . 1 . . . . . . . . 4972 1 46 . 1 1 7 7 GLU HG3 H 1 2.12 0.10 . 1 . . . . . . . . 4972 1 47 . 1 1 7 7 GLU C C 13 173.69 0.02 . 1 . . . . . . . . 4972 1 48 . 1 1 7 7 GLU CA C 13 55.59 0.02 . 1 . . . . . . . . 4972 1 49 . 1 1 7 7 GLU CB C 13 31.10 0.02 . 1 . . . . . . . . 4972 1 50 . 1 1 7 7 GLU CG C 13 37.07 0.02 . 1 . . . . . . . . 4972 1 51 . 1 1 7 7 GLU N N 15 127.68 0.02 . 1 . . . . . . . . 4972 1 52 . 1 1 8 8 VAL H H 1 9.21 0.10 . 1 . . . . . . . . 4972 1 53 . 1 1 8 8 VAL HA H 1 4.56 0.10 . 1 . . . . . . . . 4972 1 54 . 1 1 8 8 VAL HB H 1 1.80 0.10 . 1 . . . . . . . . 4972 1 55 . 1 1 8 8 VAL HG11 H 1 0.76 0.10 . 2 . . . . . . . . 4972 1 56 . 1 1 8 8 VAL HG12 H 1 0.76 0.10 . 2 . . . . . . . . 4972 1 57 . 1 1 8 8 VAL HG13 H 1 0.76 0.10 . 2 . . . . . . . . 4972 1 58 . 1 1 8 8 VAL HG21 H 1 0.70 0.10 . 2 . . . . . . . . 4972 1 59 . 1 1 8 8 VAL HG22 H 1 0.70 0.10 . 2 . . . . . . . . 4972 1 60 . 1 1 8 8 VAL HG23 H 1 0.70 0.10 . 2 . . . . . . . . 4972 1 61 . 1 1 8 8 VAL C C 13 176.34 0.02 . 1 . . . . . . . . 4972 1 62 . 1 1 8 8 VAL CA C 13 59.10 0.02 . 1 . . . . . . . . 4972 1 63 . 1 1 8 8 VAL CB C 13 35.31 0.02 . 1 . . . . . . . . 4972 1 64 . 1 1 8 8 VAL CG1 C 13 21.50 0.02 . 2 . . . . . . . . 4972 1 65 . 1 1 8 8 VAL CG2 C 13 19.77 0.02 . 2 . . . . . . . . 4972 1 66 . 1 1 8 8 VAL N N 15 121.61 0.02 . 1 . . . . . . . . 4972 1 67 . 1 1 9 9 ARG H H 1 8.31 0.10 . 1 . . . . . . . . 4972 1 68 . 1 1 9 9 ARG HA H 1 4.39 0.10 . 1 . . . . . . . . 4972 1 69 . 1 1 9 9 ARG HB2 H 1 1.79 0.10 . 1 . . . . . . . . 4972 1 70 . 1 1 9 9 ARG HB3 H 1 1.79 0.10 . 1 . . . . . . . . 4972 1 71 . 1 1 9 9 ARG HG2 H 1 1.70 0.10 . 2 . . . . . . . . 4972 1 72 . 1 1 9 9 ARG HG3 H 1 1.90 0.10 . 2 . . . . . . . . 4972 1 73 . 1 1 9 9 ARG C C 13 172.95 0.02 . 1 . . . . . . . . 4972 1 74 . 1 1 9 9 ARG CA C 13 54.46 0.02 . 1 . . . . . . . . 4972 1 75 . 1 1 9 9 ARG CB C 13 30.92 0.02 . 1 . . . . . . . . 4972 1 76 . 1 1 9 9 ARG CG C 13 36.10 0.02 . 1 . . . . . . . . 4972 1 77 . 1 1 9 9 ARG N N 15 123.92 0.02 . 1 . . . . . . . . 4972 1 78 . 1 1 10 10 LEU H H 1 8.40 0.10 . 1 . . . . . . . . 4972 1 79 . 1 1 10 10 LEU HA H 1 3.71 0.10 . 1 . . . . . . . . 4972 1 80 . 1 1 10 10 LEU HB2 H 1 2.18 0.10 . 1 . . . . . . . . 4972 1 81 . 1 1 10 10 LEU HB3 H 1 2.18 0.10 . 1 . . . . . . . . 4972 1 82 . 1 1 10 10 LEU HG H 1 2.21 0.10 . 1 . . . . . . . . 4972 1 83 . 1 1 10 10 LEU HD11 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 84 . 1 1 10 10 LEU HD12 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 85 . 1 1 10 10 LEU HD13 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 86 . 1 1 10 10 LEU HD21 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 87 . 1 1 10 10 LEU HD22 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 88 . 1 1 10 10 LEU HD23 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 89 . 1 1 10 10 LEU C C 13 175.40 0.02 . 1 . . . . . . . . 4972 1 90 . 1 1 10 10 LEU CA C 13 62.73 0.02 . 1 . . . . . . . . 4972 1 91 . 1 1 10 10 LEU CB C 13 30.26 0.02 . 1 . . . . . . . . 4972 1 92 . 1 1 10 10 LEU CD1 C 13 21.13 0.02 . 1 . . . . . . . . 4972 1 93 . 1 1 10 10 LEU CD2 C 13 21.13 0.02 . 1 . . . . . . . . 4972 1 94 . 1 1 10 10 LEU N N 15 124.59 0.02 . 1 . . . . . . . . 4972 1 95 . 1 1 11 11 LYS H H 1 8.49 0.10 . 1 . . . . . . . . 4972 1 96 . 1 1 11 11 LYS HA H 1 4.34 0.10 . 1 . . . . . . . . 4972 1 97 . 1 1 11 11 LYS HB2 H 1 1.43 0.10 . 2 . . . . . . . . 4972 1 98 . 1 1 11 11 LYS HB3 H 1 1.84 0.10 . 2 . . . . . . . . 4972 1 99 . 1 1 11 11 LYS HG2 H 1 1.92 0.10 . 2 . . . . . . . . 4972 1 100 . 1 1 11 11 LYS HG3 H 1 1.98 0.10 . 2 . . . . . . . . 4972 1 101 . 1 1 11 11 LYS HD2 H 1 1.59 0.10 . 2 . . . . . . . . 4972 1 102 . 1 1 11 11 LYS HD3 H 1 1.67 0.10 . 2 . . . . . . . . 4972 1 103 . 1 1 11 11 LYS HE2 H 1 3.15 0.10 . 2 . . . . . . . . 4972 1 104 . 1 1 11 11 LYS HE3 H 1 3.19 0.10 . 2 . . . . . . . . 4972 1 105 . 1 1 11 11 LYS C C 13 175.64 0.02 . 1 . . . . . . . . 4972 1 106 . 1 1 11 11 LYS CA C 13 55.27 0.02 . 1 . . . . . . . . 4972 1 107 . 1 1 11 11 LYS CB C 13 29.89 0.02 . 1 . . . . . . . . 4972 1 108 . 1 1 11 11 LYS CG C 13 26.26 0.02 . 1 . . . . . . . . 4972 1 109 . 1 1 11 11 LYS CD C 13 27.04 0.02 . 1 . . . . . . . . 4972 1 110 . 1 1 11 11 LYS CE C 13 42.56 0.02 . 1 . . . . . . . . 4972 1 111 . 1 1 11 11 LYS N N 15 128.87 0.02 . 1 . . . . . . . . 4972 1 112 . 1 1 12 12 THR H H 1 6.60 0.10 . 1 . . . . . . . . 4972 1 113 . 1 1 12 12 THR HA H 1 4.28 0.10 . 1 . . . . . . . . 4972 1 114 . 1 1 12 12 THR HB H 1 4.39 0.10 . 1 . . . . . . . . 4972 1 115 . 1 1 12 12 THR HG21 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 116 . 1 1 12 12 THR HG22 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 117 . 1 1 12 12 THR HG23 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 118 . 1 1 12 12 THR C C 13 175.72 0.02 . 1 . . . . . . . . 4972 1 119 . 1 1 12 12 THR CA C 13 60.60 0.02 . 1 . . . . . . . . 4972 1 120 . 1 1 12 12 THR CB C 13 69.65 0.02 . 1 . . . . . . . . 4972 1 121 . 1 1 12 12 THR CG2 C 13 21.08 0.02 . 2 . . . . . . . . 4972 1 122 . 1 1 12 12 THR N N 15 118.60 0.02 . 1 . . . . . . . . 4972 1 123 . 1 1 13 13 GLY H H 1 7.46 0.10 . 1 . . . . . . . . 4972 1 124 . 1 1 13 13 GLY HA2 H 1 4.28 0.10 . 2 . . . . . . . . 4972 1 125 . 1 1 13 13 GLY HA3 H 1 3.10 0.10 . 2 . . . . . . . . 4972 1 126 . 1 1 13 13 GLY C C 13 175.76 0.02 . 1 . . . . . . . . 4972 1 127 . 1 1 13 13 GLY CA C 13 44.56 0.02 . 1 . . . . . . . . 4972 1 128 . 1 1 13 13 GLY N N 15 107.03 0.02 . 1 . . . . . . . . 4972 1 129 . 1 1 14 14 LEU H H 1 7.97 0.10 . 1 . . . . . . . . 4972 1 130 . 1 1 14 14 LEU HA H 1 4.48 0.10 . 1 . . . . . . . . 4972 1 131 . 1 1 14 14 LEU HB2 H 1 1.41 0.10 . 2 . . . . . . . . 4972 1 132 . 1 1 14 14 LEU HB3 H 1 1.29 0.10 . 2 . . . . . . . . 4972 1 133 . 1 1 14 14 LEU HG H 1 1.22 0.10 . 1 . . . . . . . . 4972 1 134 . 1 1 14 14 LEU HD11 H 1 0.41 0.10 . 1 . . . . . . . . 4972 1 135 . 1 1 14 14 LEU HD12 H 1 0.41 0.10 . 1 . . . . . . . . 4972 1 136 . 1 1 14 14 LEU HD13 H 1 0.41 0.10 . 1 . . . . . . . . 4972 1 137 . 1 1 14 14 LEU HD21 H 1 0.41 0.10 . 1 . . . . . . . . 4972 1 138 . 1 1 14 14 LEU HD22 H 1 0.41 0.10 . 1 . . . . . . . . 4972 1 139 . 1 1 14 14 LEU HD23 H 1 0.41 0.10 . 1 . . . . . . . . 4972 1 140 . 1 1 14 14 LEU C C 13 172.98 0.02 . 1 . . . . . . . . 4972 1 141 . 1 1 14 14 LEU CA C 13 52.38 0.02 . 1 . . . . . . . . 4972 1 142 . 1 1 14 14 LEU CB C 13 40.51 0.02 . 1 . . . . . . . . 4972 1 143 . 1 1 14 14 LEU CG C 13 26.00 0.02 . 1 . . . . . . . . 4972 1 144 . 1 1 14 14 LEU CD1 C 13 23.67 0.02 . 1 . . . . . . . . 4972 1 145 . 1 1 14 14 LEU CD2 C 13 23.67 0.02 . 1 . . . . . . . . 4972 1 146 . 1 1 14 14 LEU N N 15 121.77 0.02 . 1 . . . . . . . . 4972 1 147 . 1 1 15 15 GLN H H 1 6.74 0.10 . 1 . . . . . . . . 4972 1 148 . 1 1 15 15 GLN HA H 1 4.38 0.10 . 1 . . . . . . . . 4972 1 149 . 1 1 15 15 GLN HB2 H 1 1.79 0.10 . 1 . . . . . . . . 4972 1 150 . 1 1 15 15 GLN HB3 H 1 1.79 0.10 . 1 . . . . . . . . 4972 1 151 . 1 1 15 15 GLN HG2 H 1 2.23 0.10 . 1 . . . . . . . . 4972 1 152 . 1 1 15 15 GLN HG3 H 1 2.23 0.10 . 1 . . . . . . . . 4972 1 153 . 1 1 15 15 GLN HE21 H 1 7.18 0.10 . 2 . . . . . . . . 4972 1 154 . 1 1 15 15 GLN HE22 H 1 6.75 0.10 . 2 . . . . . . . . 4972 1 155 . 1 1 15 15 GLN C C 13 174.70 0.02 . 1 . . . . . . . . 4972 1 156 . 1 1 15 15 GLN CA C 13 54.39 0.02 . 1 . . . . . . . . 4972 1 157 . 1 1 15 15 GLN CB C 13 30.90 0.02 . 1 . . . . . . . . 4972 1 158 . 1 1 15 15 GLN CG C 13 33.32 0.02 . 1 . . . . . . . . 4972 1 159 . 1 1 15 15 GLN N N 15 117.85 0.02 . 1 . . . . . . . . 4972 1 160 . 1 1 15 15 GLN NE2 N 15 111.23 0.02 . 2 . . . . . . . . 4972 1 161 . 1 1 16 16 ALA H H 1 8.48 0.10 . 1 . . . . . . . . 4972 1 162 . 1 1 16 16 ALA HA H 1 4.01 0.10 . 1 . . . . . . . . 4972 1 163 . 1 1 16 16 ALA HB1 H 1 1.49 0.10 . 1 . . . . . . . . 4972 1 164 . 1 1 16 16 ALA HB2 H 1 1.49 0.10 . 1 . . . . . . . . 4972 1 165 . 1 1 16 16 ALA HB3 H 1 1.49 0.10 . 1 . . . . . . . . 4972 1 166 . 1 1 16 16 ALA C C 13 173.83 0.02 . 1 . . . . . . . . 4972 1 167 . 1 1 16 16 ALA CA C 13 54.40 0.02 . 1 . . . . . . . . 4972 1 168 . 1 1 16 16 ALA CB C 13 17.46 0.02 . 1 . . . . . . . . 4972 1 169 . 1 1 16 16 ALA N N 15 122.07 0.02 . 1 . . . . . . . . 4972 1 170 . 1 1 17 17 ARG H H 1 8.65 0.10 . 1 . . . . . . . . 4972 1 171 . 1 1 17 17 ARG C C 13 170.99 0.02 . 1 . . . . . . . . 4972 1 172 . 1 1 17 17 ARG CA C 13 53.90 0.02 . 1 . . . . . . . . 4972 1 173 . 1 1 17 17 ARG N N 15 118.66 0.02 . 1 . . . . . . . . 4972 1 174 . 1 1 18 18 PRO HA H 1 4.32 0.10 . 1 . . . . . . . . 4972 1 175 . 1 1 18 18 PRO HB2 H 1 2.39 0.10 . 1 . . . . . . . . 4972 1 176 . 1 1 18 18 PRO HB3 H 1 2.39 0.10 . 1 . . . . . . . . 4972 1 177 . 1 1 18 18 PRO HG2 H 1 2.33 0.10 . 2 . . . . . . . . 4972 1 178 . 1 1 18 18 PRO HG3 H 1 1.97 0.10 . 2 . . . . . . . . 4972 1 179 . 1 1 18 18 PRO HD2 H 1 4.03 0.10 . 2 . . . . . . . . 4972 1 180 . 1 1 18 18 PRO HD3 H 1 3.71 0.10 . 2 . . . . . . . . 4972 1 181 . 1 1 18 18 PRO CA C 13 65.84 0.02 . 1 . . . . . . . . 4972 1 182 . 1 1 18 18 PRO CB C 13 31.41 0.02 . 1 . . . . . . . . 4972 1 183 . 1 1 18 18 PRO CG C 13 28.04 0.02 . 1 . . . . . . . . 4972 1 184 . 1 1 18 18 PRO CD C 13 49.23 0.02 . 1 . . . . . . . . 4972 1 185 . 1 1 19 19 ALA H H 1 7.85 0.10 . 1 . . . . . . . . 4972 1 186 . 1 1 19 19 ALA HA H 1 3.89 0.10 . 1 . . . . . . . . 4972 1 187 . 1 1 19 19 ALA HB1 H 1 1.16 0.10 . 1 . . . . . . . . 4972 1 188 . 1 1 19 19 ALA HB2 H 1 1.16 0.10 . 1 . . . . . . . . 4972 1 189 . 1 1 19 19 ALA HB3 H 1 1.16 0.10 . 1 . . . . . . . . 4972 1 190 . 1 1 19 19 ALA C C 13 179.43 0.02 . 1 . . . . . . . . 4972 1 191 . 1 1 19 19 ALA CA C 13 54.73 0.02 . 1 . . . . . . . . 4972 1 192 . 1 1 19 19 ALA CB C 13 17.18 0.02 . 1 . . . . . . . . 4972 1 193 . 1 1 19 19 ALA N N 15 118.97 0.02 . 1 . . . . . . . . 4972 1 194 . 1 1 20 20 ALA H H 1 7.69 0.10 . 1 . . . . . . . . 4972 1 195 . 1 1 20 20 ALA HA H 1 3.92 0.10 . 1 . . . . . . . . 4972 1 196 . 1 1 20 20 ALA HB1 H 1 1.50 0.10 . 1 . . . . . . . . 4972 1 197 . 1 1 20 20 ALA HB2 H 1 1.50 0.10 . 1 . . . . . . . . 4972 1 198 . 1 1 20 20 ALA HB3 H 1 1.50 0.10 . 1 . . . . . . . . 4972 1 199 . 1 1 20 20 ALA C C 13 177.93 0.02 . 1 . . . . . . . . 4972 1 200 . 1 1 20 20 ALA CA C 13 54.98 0.02 . 1 . . . . . . . . 4972 1 201 . 1 1 20 20 ALA CB C 13 17.25 0.02 . 1 . . . . . . . . 4972 1 202 . 1 1 20 20 ALA N N 15 120.83 0.02 . 1 . . . . . . . . 4972 1 203 . 1 1 21 21 LEU H H 1 8.14 0.10 . 1 . . . . . . . . 4972 1 204 . 1 1 21 21 LEU HA H 1 4.00 0.10 . 1 . . . . . . . . 4972 1 205 . 1 1 21 21 LEU HB2 H 1 1.94 0.10 . 2 . . . . . . . . 4972 1 206 . 1 1 21 21 LEU HB3 H 1 1.58 0.10 . 2 . . . . . . . . 4972 1 207 . 1 1 21 21 LEU HG H 1 1.64 0.10 . 1 . . . . . . . . 4972 1 208 . 1 1 21 21 LEU HD11 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 209 . 1 1 21 21 LEU HD12 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 210 . 1 1 21 21 LEU HD13 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 211 . 1 1 21 21 LEU HD21 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 212 . 1 1 21 21 LEU HD22 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 213 . 1 1 21 21 LEU HD23 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 214 . 1 1 21 21 LEU C C 13 176.57 0.02 . 1 . . . . . . . . 4972 1 215 . 1 1 21 21 LEU CA C 13 57.30 0.02 . 1 . . . . . . . . 4972 1 216 . 1 1 21 21 LEU CB C 13 40.53 0.02 . 1 . . . . . . . . 4972 1 217 . 1 1 21 21 LEU CG C 13 26.96 0.02 . 1 . . . . . . . . 4972 1 218 . 1 1 21 21 LEU CD1 C 13 24.75 0.02 . 1 . . . . . . . . 4972 1 219 . 1 1 21 21 LEU CD2 C 13 24.75 0.02 . 1 . . . . . . . . 4972 1 220 . 1 1 21 21 LEU N N 15 119.28 0.02 . 1 . . . . . . . . 4972 1 221 . 1 1 22 22 PHE H H 1 7.98 0.10 . 1 . . . . . . . . 4972 1 222 . 1 1 22 22 PHE HA H 1 3.43 0.10 . 1 . . . . . . . . 4972 1 223 . 1 1 22 22 PHE HB2 H 1 3.28 0.10 . 2 . . . . . . . . 4972 1 224 . 1 1 22 22 PHE HB3 H 1 2.91 0.10 . 2 . . . . . . . . 4972 1 225 . 1 1 22 22 PHE HD1 H 1 6.98 0.10 . 4 . . . . . . . . 4972 1 226 . 1 1 22 22 PHE HD2 H 1 6.98 0.10 . 4 . . . . . . . . 4972 1 227 . 1 1 22 22 PHE HE1 H 1 7.15 0.10 . 4 . . . . . . . . 4972 1 228 . 1 1 22 22 PHE HE2 H 1 7.15 0.10 . 4 . . . . . . . . 4972 1 229 . 1 1 22 22 PHE C C 13 178.94 0.02 . 1 . . . . . . . . 4972 1 230 . 1 1 22 22 PHE CA C 13 61.48 0.02 . 1 . . . . . . . . 4972 1 231 . 1 1 22 22 PHE CB C 13 38.69 0.02 . 1 . . . . . . . . 4972 1 232 . 1 1 22 22 PHE CD1 C 13 129.52 0.02 . 1 . . . . . . . . 4972 1 233 . 1 1 22 22 PHE CE1 C 13 132.32 0.02 . 1 . . . . . . . . 4972 1 234 . 1 1 22 22 PHE N N 15 122.21 0.02 . 1 . . . . . . . . 4972 1 235 . 1 1 23 23 VAL H H 1 8.11 0.10 . 1 . . . . . . . . 4972 1 236 . 1 1 23 23 VAL HA H 1 3.54 0.10 . 1 . . . . . . . . 4972 1 237 . 1 1 23 23 VAL HB H 1 2.03 0.10 . 1 . . . . . . . . 4972 1 238 . 1 1 23 23 VAL HG11 H 1 1.03 0.10 . 2 . . . . . . . . 4972 1 239 . 1 1 23 23 VAL HG12 H 1 1.03 0.10 . 2 . . . . . . . . 4972 1 240 . 1 1 23 23 VAL HG13 H 1 1.03 0.10 . 2 . . . . . . . . 4972 1 241 . 1 1 23 23 VAL HG21 H 1 0.77 0.10 . 2 . . . . . . . . 4972 1 242 . 1 1 23 23 VAL HG22 H 1 0.77 0.10 . 2 . . . . . . . . 4972 1 243 . 1 1 23 23 VAL HG23 H 1 0.77 0.10 . 2 . . . . . . . . 4972 1 244 . 1 1 23 23 VAL C C 13 176.57 0.02 . 1 . . . . . . . . 4972 1 245 . 1 1 23 23 VAL CA C 13 66.33 0.02 . 1 . . . . . . . . 4972 1 246 . 1 1 23 23 VAL CB C 13 31.19 0.02 . 1 . . . . . . . . 4972 1 247 . 1 1 23 23 VAL CG1 C 13 23.14 0.02 . 2 . . . . . . . . 4972 1 248 . 1 1 23 23 VAL CG2 C 13 21.14 0.02 . 2 . . . . . . . . 4972 1 249 . 1 1 23 23 VAL N N 15 119.16 0.02 . 1 . . . . . . . . 4972 1 250 . 1 1 24 24 GLN H H 1 7.70 0.10 . 1 . . . . . . . . 4972 1 251 . 1 1 24 24 GLN HA H 1 3.92 0.10 . 1 . . . . . . . . 4972 1 252 . 1 1 24 24 GLN HB2 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 253 . 1 1 24 24 GLN HB3 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 254 . 1 1 24 24 GLN HG2 H 1 2.32 0.10 . 2 . . . . . . . . 4972 1 255 . 1 1 24 24 GLN HG3 H 1 2.22 0.10 . 2 . . . . . . . . 4972 1 256 . 1 1 24 24 GLN HE21 H 1 7.43 0.10 . 2 . . . . . . . . 4972 1 257 . 1 1 24 24 GLN HE22 H 1 6.69 0.10 . 2 . . . . . . . . 4972 1 258 . 1 1 24 24 GLN C C 13 178.41 0.02 . 1 . . . . . . . . 4972 1 259 . 1 1 24 24 GLN CA C 13 58.85 0.02 . 1 . . . . . . . . 4972 1 260 . 1 1 24 24 GLN CB C 13 28.24 0.02 . 1 . . . . . . . . 4972 1 261 . 1 1 24 24 GLN CG C 13 33.66 0.02 . 1 . . . . . . . . 4972 1 262 . 1 1 24 24 GLN N N 15 119.78 0.02 . 1 . . . . . . . . 4972 1 263 . 1 1 24 24 GLN NE2 N 15 111.43 0.02 . 2 . . . . . . . . 4972 1 264 . 1 1 25 25 GLU H H 1 7.53 0.10 . 1 . . . . . . . . 4972 1 265 . 1 1 25 25 GLU HA H 1 3.85 0.10 . 1 . . . . . . . . 4972 1 266 . 1 1 25 25 GLU HB2 H 1 1.57 0.10 . 1 . . . . . . . . 4972 1 267 . 1 1 25 25 GLU HB3 H 1 1.57 0.10 . 1 . . . . . . . . 4972 1 268 . 1 1 25 25 GLU HG2 H 1 2.04 0.10 . 2 . . . . . . . . 4972 1 269 . 1 1 25 25 GLU HG3 H 1 1.72 0.10 . 2 . . . . . . . . 4972 1 270 . 1 1 25 25 GLU C C 13 178.53 0.02 . 1 . . . . . . . . 4972 1 271 . 1 1 25 25 GLU CA C 13 57.90 0.02 . 1 . . . . . . . . 4972 1 272 . 1 1 25 25 GLU CB C 13 28.00 0.02 . 1 . . . . . . . . 4972 1 273 . 1 1 25 25 GLU CG C 13 34.48 0.02 . 1 . . . . . . . . 4972 1 274 . 1 1 25 25 GLU N N 15 118.95 0.02 . 1 . . . . . . . . 4972 1 275 . 1 1 26 26 ALA H H 1 8.60 0.10 . 1 . . . . . . . . 4972 1 276 . 1 1 26 26 ALA HA H 1 3.88 0.10 . 1 . . . . . . . . 4972 1 277 . 1 1 26 26 ALA HB1 H 1 0.97 0.10 . 1 . . . . . . . . 4972 1 278 . 1 1 26 26 ALA HB2 H 1 0.97 0.10 . 1 . . . . . . . . 4972 1 279 . 1 1 26 26 ALA HB3 H 1 0.97 0.10 . 1 . . . . . . . . 4972 1 280 . 1 1 26 26 ALA C C 13 179.11 0.02 . 1 . . . . . . . . 4972 1 281 . 1 1 26 26 ALA CA C 13 54.97 0.02 . 1 . . . . . . . . 4972 1 282 . 1 1 26 26 ALA CB C 13 17.41 0.02 . 1 . . . . . . . . 4972 1 283 . 1 1 26 26 ALA N N 15 121.72 0.02 . 1 . . . . . . . . 4972 1 284 . 1 1 27 27 ASN H H 1 7.85 0.10 . 1 . . . . . . . . 4972 1 285 . 1 1 27 27 ASN HA H 1 4.34 0.10 . 1 . . . . . . . . 4972 1 286 . 1 1 27 27 ASN HB2 H 1 2.70 0.10 . 1 . . . . . . . . 4972 1 287 . 1 1 27 27 ASN HB3 H 1 2.70 0.10 . 1 . . . . . . . . 4972 1 288 . 1 1 27 27 ASN HD21 H 1 7.30 0.10 . 2 . . . . . . . . 4972 1 289 . 1 1 27 27 ASN HD22 H 1 6.96 0.10 . 2 . . . . . . . . 4972 1 290 . 1 1 27 27 ASN C C 13 178.70 0.02 . 1 . . . . . . . . 4972 1 291 . 1 1 27 27 ASN CA C 13 54.70 0.02 . 1 . . . . . . . . 4972 1 292 . 1 1 27 27 ASN CB C 13 39.18 0.02 . 1 . . . . . . . . 4972 1 293 . 1 1 27 27 ASN N N 15 112.27 0.02 . 1 . . . . . . . . 4972 1 294 . 1 1 27 27 ASN ND2 N 15 112.63 0.02 . 2 . . . . . . . . 4972 1 295 . 1 1 28 28 ARG H H 1 7.34 0.10 . 1 . . . . . . . . 4972 1 296 . 1 1 28 28 ARG HA H 1 3.86 0.10 . 1 . . . . . . . . 4972 1 297 . 1 1 28 28 ARG HB2 H 1 1.25 0.10 . 2 . . . . . . . . 4972 1 298 . 1 1 28 28 ARG HB3 H 1 1.10 0.10 . 2 . . . . . . . . 4972 1 299 . 1 1 28 28 ARG HG2 H 1 1.54 0.10 . 2 . . . . . . . . 4972 1 300 . 1 1 28 28 ARG HG3 H 1 1.27 0.10 . 2 . . . . . . . . 4972 1 301 . 1 1 28 28 ARG HD2 H 1 2.90 0.10 . 1 . . . . . . . . 4972 1 302 . 1 1 28 28 ARG HD3 H 1 2.90 0.10 . 1 . . . . . . . . 4972 1 303 . 1 1 28 28 ARG C C 13 175.73 0.02 . 1 . . . . . . . . 4972 1 304 . 1 1 28 28 ARG CA C 13 57.07 0.02 . 1 . . . . . . . . 4972 1 305 . 1 1 28 28 ARG CB C 13 29.06 0.02 . 1 . . . . . . . . 4972 1 306 . 1 1 28 28 ARG CG C 13 27.03 0.02 . 1 . . . . . . . . 4972 1 307 . 1 1 28 28 ARG CD C 13 42.80 0.02 . 1 . . . . . . . . 4972 1 308 . 1 1 28 28 ARG N N 15 118.21 0.02 . 1 . . . . . . . . 4972 1 309 . 1 1 29 29 PHE H H 1 7.19 0.10 . 1 . . . . . . . . 4972 1 310 . 1 1 29 29 PHE HA H 1 4.64 0.10 . 1 . . . . . . . . 4972 1 311 . 1 1 29 29 PHE HB2 H 1 3.31 0.10 . 2 . . . . . . . . 4972 1 312 . 1 1 29 29 PHE HB3 H 1 2.52 0.10 . 2 . . . . . . . . 4972 1 313 . 1 1 29 29 PHE HD1 H 1 6.97 0.10 . 4 . . . . . . . . 4972 1 314 . 1 1 29 29 PHE HD2 H 1 6.97 0.10 . 4 . . . . . . . . 4972 1 315 . 1 1 29 29 PHE HE1 H 1 6.97 0.10 . 4 . . . . . . . . 4972 1 316 . 1 1 29 29 PHE HE2 H 1 6.97 0.10 . 4 . . . . . . . . 4972 1 317 . 1 1 29 29 PHE C C 13 175.69 0.02 . 1 . . . . . . . . 4972 1 318 . 1 1 29 29 PHE CA C 13 57.25 0.02 . 1 . . . . . . . . 4972 1 319 . 1 1 29 29 PHE CB C 13 38.96 0.02 . 1 . . . . . . . . 4972 1 320 . 1 1 29 29 PHE CD1 C 13 132.32 0.02 . 1 . . . . . . . . 4972 1 321 . 1 1 29 29 PHE CE1 C 13 132.32 0.02 . 1 . . . . . . . . 4972 1 322 . 1 1 29 29 PHE N N 15 118.29 0.02 . 1 . . . . . . . . 4972 1 323 . 1 1 30 30 THR H H 1 10.96 0.10 . 1 . . . . . . . . 4972 1 324 . 1 1 30 30 THR HA H 1 4.04 0.10 . 1 . . . . . . . . 4972 1 325 . 1 1 30 30 THR HB H 1 4.13 0.10 . 1 . . . . . . . . 4972 1 326 . 1 1 30 30 THR HG21 H 1 1.18 0.10 . 1 . . . . . . . . 4972 1 327 . 1 1 30 30 THR HG22 H 1 1.18 0.10 . 1 . . . . . . . . 4972 1 328 . 1 1 30 30 THR HG23 H 1 1.18 0.10 . 1 . . . . . . . . 4972 1 329 . 1 1 30 30 THR C C 13 175.80 0.02 . 1 . . . . . . . . 4972 1 330 . 1 1 30 30 THR CA C 13 63.70 0.02 . 1 . . . . . . . . 4972 1 331 . 1 1 30 30 THR CB C 13 68.71 0.02 . 1 . . . . . . . . 4972 1 332 . 1 1 30 30 THR CG2 C 13 21.36 0.02 . 2 . . . . . . . . 4972 1 333 . 1 1 30 30 THR N N 15 120.62 0.02 . 1 . . . . . . . . 4972 1 334 . 1 1 31 31 SER H H 1 9.26 0.10 . 1 . . . . . . . . 4972 1 335 . 1 1 31 31 SER HA H 1 4.27 0.10 . 1 . . . . . . . . 4972 1 336 . 1 1 31 31 SER HB2 H 1 3.51 0.10 . 2 . . . . . . . . 4972 1 337 . 1 1 31 31 SER HB3 H 1 3.05 0.10 . 2 . . . . . . . . 4972 1 338 . 1 1 31 31 SER HG H 1 5.63 0.10 . 1 . . . . . . . . 4972 1 339 . 1 1 31 31 SER C C 13 177.31 0.02 . 1 . . . . . . . . 4972 1 340 . 1 1 31 31 SER CA C 13 61.16 0.02 . 1 . . . . . . . . 4972 1 341 . 1 1 31 31 SER CB C 13 64.68 0.02 . 1 . . . . . . . . 4972 1 342 . 1 1 31 31 SER N N 15 121.38 0.02 . 1 . . . . . . . . 4972 1 343 . 1 1 32 32 ASP H H 1 8.00 0.10 . 1 . . . . . . . . 4972 1 344 . 1 1 32 32 ASP HA H 1 4.38 0.10 . 1 . . . . . . . . 4972 1 345 . 1 1 32 32 ASP HB2 H 1 2.48 0.10 . 2 . . . . . . . . 4972 1 346 . 1 1 32 32 ASP HB3 H 1 2.42 0.10 . 2 . . . . . . . . 4972 1 347 . 1 1 32 32 ASP C C 13 173.73 0.02 . 1 . . . . . . . . 4972 1 348 . 1 1 32 32 ASP CA C 13 54.23 0.02 . 1 . . . . . . . . 4972 1 349 . 1 1 32 32 ASP CB C 13 41.54 0.02 . 1 . . . . . . . . 4972 1 350 . 1 1 32 32 ASP N N 15 121.68 0.02 . 1 . . . . . . . . 4972 1 351 . 1 1 33 33 VAL H H 1 8.42 0.10 . 1 . . . . . . . . 4972 1 352 . 1 1 33 33 VAL HA H 1 4.92 0.10 . 1 . . . . . . . . 4972 1 353 . 1 1 33 33 VAL HB H 1 1.39 0.10 . 1 . . . . . . . . 4972 1 354 . 1 1 33 33 VAL HG11 H 1 0.69 0.10 . 2 . . . . . . . . 4972 1 355 . 1 1 33 33 VAL HG12 H 1 0.69 0.10 . 2 . . . . . . . . 4972 1 356 . 1 1 33 33 VAL HG13 H 1 0.69 0.10 . 2 . . . . . . . . 4972 1 357 . 1 1 33 33 VAL HG21 H 1 0.58 0.10 . 2 . . . . . . . . 4972 1 358 . 1 1 33 33 VAL HG22 H 1 0.58 0.10 . 2 . . . . . . . . 4972 1 359 . 1 1 33 33 VAL HG23 H 1 0.58 0.10 . 2 . . . . . . . . 4972 1 360 . 1 1 33 33 VAL C C 13 175.68 0.02 . 1 . . . . . . . . 4972 1 361 . 1 1 33 33 VAL CA C 13 59.93 0.02 . 1 . . . . . . . . 4972 1 362 . 1 1 33 33 VAL CB C 13 34.51 0.02 . 1 . . . . . . . . 4972 1 363 . 1 1 33 33 VAL CG1 C 13 21.09 0.02 . 2 . . . . . . . . 4972 1 364 . 1 1 33 33 VAL CG2 C 13 19.77 0.02 . 2 . . . . . . . . 4972 1 365 . 1 1 33 33 VAL N N 15 121.08 0.02 . 1 . . . . . . . . 4972 1 366 . 1 1 34 34 PHE H H 1 9.48 0.10 . 1 . . . . . . . . 4972 1 367 . 1 1 34 34 PHE HA H 1 5.51 0.10 . 1 . . . . . . . . 4972 1 368 . 1 1 34 34 PHE HB2 H 1 2.95 0.10 . 2 . . . . . . . . 4972 1 369 . 1 1 34 34 PHE HB3 H 1 2.57 0.10 . 2 . . . . . . . . 4972 1 370 . 1 1 34 34 PHE HD1 H 1 6.84 0.10 . 4 . . . . . . . . 4972 1 371 . 1 1 34 34 PHE HD2 H 1 6.84 0.10 . 4 . . . . . . . . 4972 1 372 . 1 1 34 34 PHE HE1 H 1 7.16 0.10 . 4 . . . . . . . . 4972 1 373 . 1 1 34 34 PHE HE2 H 1 7.16 0.10 . 4 . . . . . . . . 4972 1 374 . 1 1 34 34 PHE C C 13 173.89 0.02 . 1 . . . . . . . . 4972 1 375 . 1 1 34 34 PHE CA C 13 54.95 0.02 . 1 . . . . . . . . 4972 1 376 . 1 1 34 34 PHE CB C 13 42.64 0.02 . 1 . . . . . . . . 4972 1 377 . 1 1 34 34 PHE CD1 C 13 132.17 0.02 . 1 . . . . . . . . 4972 1 378 . 1 1 34 34 PHE CE1 C 13 132.32 0.02 . 1 . . . . . . . . 4972 1 379 . 1 1 34 34 PHE N N 15 123.34 0.02 . 1 . . . . . . . . 4972 1 380 . 1 1 35 35 LEU H H 1 8.53 0.10 . 1 . . . . . . . . 4972 1 381 . 1 1 35 35 LEU HA H 1 5.32 0.10 . 1 . . . . . . . . 4972 1 382 . 1 1 35 35 LEU HB2 H 1 1.23 0.10 . 1 . . . . . . . . 4972 1 383 . 1 1 35 35 LEU HB3 H 1 1.23 0.10 . 1 . . . . . . . . 4972 1 384 . 1 1 35 35 LEU HG H 1 1.24 0.10 . 1 . . . . . . . . 4972 1 385 . 1 1 35 35 LEU HD11 H 1 1.42 0.10 . 1 . . . . . . . . 4972 1 386 . 1 1 35 35 LEU HD12 H 1 1.42 0.10 . 1 . . . . . . . . 4972 1 387 . 1 1 35 35 LEU HD13 H 1 1.42 0.10 . 1 . . . . . . . . 4972 1 388 . 1 1 35 35 LEU HD21 H 1 0.59 0.10 . 1 . . . . . . . . 4972 1 389 . 1 1 35 35 LEU HD22 H 1 0.59 0.10 . 1 . . . . . . . . 4972 1 390 . 1 1 35 35 LEU HD23 H 1 0.59 0.10 . 1 . . . . . . . . 4972 1 391 . 1 1 35 35 LEU C C 13 174.01 0.02 . 1 . . . . . . . . 4972 1 392 . 1 1 35 35 LEU CA C 13 53.43 0.02 . 1 . . . . . . . . 4972 1 393 . 1 1 35 35 LEU CB C 13 46.18 0.02 . 1 . . . . . . . . 4972 1 394 . 1 1 35 35 LEU CG C 13 26.84 0.02 . 1 . . . . . . . . 4972 1 395 . 1 1 35 35 LEU CD1 C 13 27.42 0.02 . 1 . . . . . . . . 4972 1 396 . 1 1 35 35 LEU CD2 C 13 25.58 0.02 . 1 . . . . . . . . 4972 1 397 . 1 1 35 35 LEU N N 15 120.38 0.02 . 1 . . . . . . . . 4972 1 398 . 1 1 36 36 GLU H H 1 9.17 0.10 . 1 . . . . . . . . 4972 1 399 . 1 1 36 36 GLU HA H 1 5.58 0.10 . 1 . . . . . . . . 4972 1 400 . 1 1 36 36 GLU HB2 H 1 1.89 0.10 . 2 . . . . . . . . 4972 1 401 . 1 1 36 36 GLU HB3 H 1 1.53 0.10 . 2 . . . . . . . . 4972 1 402 . 1 1 36 36 GLU HG2 H 1 1.80 0.10 . 2 . . . . . . . . 4972 1 403 . 1 1 36 36 GLU HG3 H 1 1.75 0.10 . 2 . . . . . . . . 4972 1 404 . 1 1 36 36 GLU C C 13 174.78 0.02 . 1 . . . . . . . . 4972 1 405 . 1 1 36 36 GLU CA C 13 53.68 0.02 . 1 . . . . . . . . 4972 1 406 . 1 1 36 36 GLU CB C 13 33.56 0.02 . 1 . . . . . . . . 4972 1 407 . 1 1 36 36 GLU CG C 13 36.07 0.02 . 1 . . . . . . . . 4972 1 408 . 1 1 36 36 GLU N N 15 124.74 0.02 . 1 . . . . . . . . 4972 1 409 . 1 1 37 37 LYS H H 1 8.43 0.10 . 1 . . . . . . . . 4972 1 410 . 1 1 37 37 LYS HA H 1 4.60 0.10 . 1 . . . . . . . . 4972 1 411 . 1 1 37 37 LYS HB2 H 1 1.72 0.10 . 2 . . . . . . . . 4972 1 412 . 1 1 37 37 LYS HB3 H 1 1.61 0.10 . 2 . . . . . . . . 4972 1 413 . 1 1 37 37 LYS HG2 H 1 1.46 0.10 . 2 . . . . . . . . 4972 1 414 . 1 1 37 37 LYS HG3 H 1 1.25 0.10 . 2 . . . . . . . . 4972 1 415 . 1 1 37 37 LYS HD2 H 1 1.66 0.10 . 2 . . . . . . . . 4972 1 416 . 1 1 37 37 LYS HD3 H 1 1.56 0.10 . 2 . . . . . . . . 4972 1 417 . 1 1 37 37 LYS HE2 H 1 3.02 0.10 . 1 . . . . . . . . 4972 1 418 . 1 1 37 37 LYS HE3 H 1 3.02 0.10 . 1 . . . . . . . . 4972 1 419 . 1 1 37 37 LYS C C 13 174.83 0.02 . 1 . . . . . . . . 4972 1 420 . 1 1 37 37 LYS CA C 13 55.21 0.02 . 1 . . . . . . . . 4972 1 421 . 1 1 37 37 LYS CB C 13 35.84 0.02 . 1 . . . . . . . . 4972 1 422 . 1 1 37 37 LYS CG C 13 24.32 0.02 . 1 . . . . . . . . 4972 1 423 . 1 1 37 37 LYS CD C 13 29.37 0.02 . 1 . . . . . . . . 4972 1 424 . 1 1 37 37 LYS CE C 13 41.85 0.02 . 1 . . . . . . . . 4972 1 425 . 1 1 37 37 LYS N N 15 125.87 0.02 . 1 . . . . . . . . 4972 1 426 . 1 1 38 38 ASP H H 1 9.36 0.10 . 1 . . . . . . . . 4972 1 427 . 1 1 38 38 ASP HA H 1 4.26 0.10 . 1 . . . . . . . . 4972 1 428 . 1 1 38 38 ASP HB2 H 1 2.92 0.10 . 2 . . . . . . . . 4972 1 429 . 1 1 38 38 ASP HB3 H 1 2.65 0.10 . 2 . . . . . . . . 4972 1 430 . 1 1 38 38 ASP C C 13 175.56 0.02 . 1 . . . . . . . . 4972 1 431 . 1 1 38 38 ASP CA C 13 55.44 0.02 . 1 . . . . . . . . 4972 1 432 . 1 1 38 38 ASP CB C 13 39.40 0.02 . 1 . . . . . . . . 4972 1 433 . 1 1 38 38 ASP N N 15 128.48 0.02 . 1 . . . . . . . . 4972 1 434 . 1 1 39 39 GLY H H 1 8.74 0.10 . 1 . . . . . . . . 4972 1 435 . 1 1 39 39 GLY HA2 H 1 4.07 0.10 . 2 . . . . . . . . 4972 1 436 . 1 1 39 39 GLY HA3 H 1 3.51 0.10 . 2 . . . . . . . . 4972 1 437 . 1 1 39 39 GLY C C 13 175.59 0.02 . 1 . . . . . . . . 4972 1 438 . 1 1 39 39 GLY CA C 13 45.07 0.02 . 1 . . . . . . . . 4972 1 439 . 1 1 39 39 GLY N N 15 104.39 0.02 . 1 . . . . . . . . 4972 1 440 . 1 1 40 40 LYS H H 1 7.75 0.10 . 1 . . . . . . . . 4972 1 441 . 1 1 40 40 LYS HA H 1 4.42 0.10 . 1 . . . . . . . . 4972 1 442 . 1 1 40 40 LYS HB2 H 1 1.75 0.10 . 1 . . . . . . . . 4972 1 443 . 1 1 40 40 LYS HB3 H 1 1.75 0.10 . 1 . . . . . . . . 4972 1 444 . 1 1 40 40 LYS HG2 H 1 1.32 0.10 . 2 . . . . . . . . 4972 1 445 . 1 1 40 40 LYS HG3 H 1 1.21 0.10 . 2 . . . . . . . . 4972 1 446 . 1 1 40 40 LYS HD2 H 1 1.60 0.10 . 1 . . . . . . . . 4972 1 447 . 1 1 40 40 LYS HD3 H 1 1.60 0.10 . 1 . . . . . . . . 4972 1 448 . 1 1 40 40 LYS HE2 H 1 2.90 0.10 . 1 . . . . . . . . 4972 1 449 . 1 1 40 40 LYS HE3 H 1 2.90 0.10 . 1 . . . . . . . . 4972 1 450 . 1 1 40 40 LYS C C 13 173.65 0.02 . 1 . . . . . . . . 4972 1 451 . 1 1 40 40 LYS CA C 13 55.08 0.02 . 1 . . . . . . . . 4972 1 452 . 1 1 40 40 LYS CB C 13 32.73 0.02 . 1 . . . . . . . . 4972 1 453 . 1 1 40 40 LYS CG C 13 24.36 0.02 . 1 . . . . . . . . 4972 1 454 . 1 1 40 40 LYS CD C 13 28.60 0.02 . 1 . . . . . . . . 4972 1 455 . 1 1 40 40 LYS CE C 13 41.78 0.02 . 1 . . . . . . . . 4972 1 456 . 1 1 40 40 LYS N N 15 123.17 0.02 . 1 . . . . . . . . 4972 1 457 . 1 1 41 41 LYS H H 1 8.31 0.10 . 1 . . . . . . . . 4972 1 458 . 1 1 41 41 LYS HA H 1 5.17 0.10 . 1 . . . . . . . . 4972 1 459 . 1 1 41 41 LYS HB2 H 1 1.58 0.10 . 2 . . . . . . . . 4972 1 460 . 1 1 41 41 LYS HB3 H 1 1.48 0.10 . 2 . . . . . . . . 4972 1 461 . 1 1 41 41 LYS HG2 H 1 1.12 0.10 . 2 . . . . . . . . 4972 1 462 . 1 1 41 41 LYS HG3 H 1 1.02 0.10 . 2 . . . . . . . . 4972 1 463 . 1 1 41 41 LYS HD2 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 464 . 1 1 41 41 LYS HD3 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 465 . 1 1 41 41 LYS HE2 H 1 2.24 0.10 . 2 . . . . . . . . 4972 1 466 . 1 1 41 41 LYS HE3 H 1 2.15 0.10 . 2 . . . . . . . . 4972 1 467 . 1 1 41 41 LYS C C 13 173.32 0.02 . 1 . . . . . . . . 4972 1 468 . 1 1 41 41 LYS CA C 13 54.51 0.02 . 1 . . . . . . . . 4972 1 469 . 1 1 41 41 LYS CB C 13 34.60 0.02 . 1 . . . . . . . . 4972 1 470 . 1 1 41 41 LYS CG C 13 24.72 0.02 . 1 . . . . . . . . 4972 1 471 . 1 1 41 41 LYS CD C 13 28.83 0.02 . 1 . . . . . . . . 4972 1 472 . 1 1 41 41 LYS CE C 13 40.52 0.02 . 1 . . . . . . . . 4972 1 473 . 1 1 41 41 LYS N N 15 125.85 0.02 . 1 . . . . . . . . 4972 1 474 . 1 1 42 42 VAL H H 1 9.06 0.10 . 1 . . . . . . . . 4972 1 475 . 1 1 42 42 VAL HA H 1 4.74 0.10 . 1 . . . . . . . . 4972 1 476 . 1 1 42 42 VAL HB H 1 1.97 0.10 . 1 . . . . . . . . 4972 1 477 . 1 1 42 42 VAL HG11 H 1 0.78 0.10 . 2 . . . . . . . . 4972 1 478 . 1 1 42 42 VAL HG12 H 1 0.78 0.10 . 2 . . . . . . . . 4972 1 479 . 1 1 42 42 VAL HG13 H 1 0.78 0.10 . 2 . . . . . . . . 4972 1 480 . 1 1 42 42 VAL HG21 H 1 0.68 0.10 . 2 . . . . . . . . 4972 1 481 . 1 1 42 42 VAL HG22 H 1 0.68 0.10 . 2 . . . . . . . . 4972 1 482 . 1 1 42 42 VAL HG23 H 1 0.68 0.10 . 2 . . . . . . . . 4972 1 483 . 1 1 42 42 VAL C C 13 176.29 0.02 . 1 . . . . . . . . 4972 1 484 . 1 1 42 42 VAL CA C 13 58.12 0.02 . 1 . . . . . . . . 4972 1 485 . 1 1 42 42 VAL CB C 13 35.06 0.02 . 1 . . . . . . . . 4972 1 486 . 1 1 42 42 VAL CG1 C 13 20.32 0.02 . 2 . . . . . . . . 4972 1 487 . 1 1 42 42 VAL CG2 C 13 17.77 0.02 . 2 . . . . . . . . 4972 1 488 . 1 1 42 42 VAL N N 15 119.05 0.02 . 1 . . . . . . . . 4972 1 489 . 1 1 43 43 ASN H H 1 8.57 0.10 . 1 . . . . . . . . 4972 1 490 . 1 1 43 43 ASN HA H 1 4.41 0.10 . 1 . . . . . . . . 4972 1 491 . 1 1 43 43 ASN HB2 H 1 2.94 0.10 . 2 . . . . . . . . 4972 1 492 . 1 1 43 43 ASN HB3 H 1 2.80 0.10 . 2 . . . . . . . . 4972 1 493 . 1 1 43 43 ASN HD21 H 1 6.87 0.10 . 2 . . . . . . . . 4972 1 494 . 1 1 43 43 ASN HD22 H 1 7.55 0.10 . 2 . . . . . . . . 4972 1 495 . 1 1 43 43 ASN C C 13 174.26 0.02 . 1 . . . . . . . . 4972 1 496 . 1 1 43 43 ASN CA C 13 53.10 0.02 . 1 . . . . . . . . 4972 1 497 . 1 1 43 43 ASN CB C 13 37.66 0.02 . 1 . . . . . . . . 4972 1 498 . 1 1 43 43 ASN N N 15 121.02 0.02 . 1 . . . . . . . . 4972 1 499 . 1 1 43 43 ASN ND2 N 15 111.04 0.02 . 2 . . . . . . . . 4972 1 500 . 1 1 44 44 ALA H H 1 8.94 0.10 . 1 . . . . . . . . 4972 1 501 . 1 1 44 44 ALA HA H 1 4.05 0.10 . 1 . . . . . . . . 4972 1 502 . 1 1 44 44 ALA HB1 H 1 1.16 0.10 . 1 . . . . . . . . 4972 1 503 . 1 1 44 44 ALA HB2 H 1 1.16 0.10 . 1 . . . . . . . . 4972 1 504 . 1 1 44 44 ALA HB3 H 1 1.16 0.10 . 1 . . . . . . . . 4972 1 505 . 1 1 44 44 ALA C C 13 175.52 0.02 . 1 . . . . . . . . 4972 1 506 . 1 1 44 44 ALA CA C 13 52.10 0.02 . 1 . . . . . . . . 4972 1 507 . 1 1 44 44 ALA CB C 13 18.49 0.02 . 1 . . . . . . . . 4972 1 508 . 1 1 44 44 ALA N N 15 129.89 0.02 . 1 . . . . . . . . 4972 1 509 . 1 1 45 45 LYS H H 1 7.75 0.10 . 1 . . . . . . . . 4972 1 510 . 1 1 45 45 LYS HA H 1 4.13 0.10 . 1 . . . . . . . . 4972 1 511 . 1 1 45 45 LYS HB2 H 1 2.08 0.10 . 1 . . . . . . . . 4972 1 512 . 1 1 45 45 LYS HB3 H 1 2.08 0.10 . 1 . . . . . . . . 4972 1 513 . 1 1 45 45 LYS HG2 H 1 1.62 0.10 . 1 . . . . . . . . 4972 1 514 . 1 1 45 45 LYS HG3 H 1 1.62 0.10 . 1 . . . . . . . . 4972 1 515 . 1 1 45 45 LYS HD2 H 1 1.25 0.10 . 2 . . . . . . . . 4972 1 516 . 1 1 45 45 LYS HD3 H 1 0.73 0.10 . 2 . . . . . . . . 4972 1 517 . 1 1 45 45 LYS HE2 H 1 3.02 0.10 . 1 . . . . . . . . 4972 1 518 . 1 1 45 45 LYS HE3 H 1 3.02 0.10 . 1 . . . . . . . . 4972 1 519 . 1 1 45 45 LYS C C 13 174.21 0.02 . 1 . . . . . . . . 4972 1 520 . 1 1 45 45 LYS CA C 13 55.37 0.02 . 1 . . . . . . . . 4972 1 521 . 1 1 45 45 LYS CB C 13 31.27 0.02 . 1 . . . . . . . . 4972 1 522 . 1 1 45 45 LYS CG C 13 26.66 0.02 . 1 . . . . . . . . 4972 1 523 . 1 1 45 45 LYS CD C 13 29.33 0.02 . 1 . . . . . . . . 4972 1 524 . 1 1 45 45 LYS CE C 13 42.07 0.02 . 1 . . . . . . . . 4972 1 525 . 1 1 45 45 LYS N N 15 109.29 0.02 . 1 . . . . . . . . 4972 1 526 . 1 1 46 46 SER H H 1 7.30 0.10 . 1 . . . . . . . . 4972 1 527 . 1 1 46 46 SER HA H 1 4.72 0.10 . 1 . . . . . . . . 4972 1 528 . 1 1 46 46 SER HB2 H 1 4.08 0.10 . 2 . . . . . . . . 4972 1 529 . 1 1 46 46 SER HB3 H 1 3.76 0.10 . 2 . . . . . . . . 4972 1 530 . 1 1 46 46 SER C C 13 175.84 0.02 . 1 . . . . . . . . 4972 1 531 . 1 1 46 46 SER CA C 13 54.20 0.02 . 1 . . . . . . . . 4972 1 532 . 1 1 46 46 SER CB C 13 64.11 0.02 . 1 . . . . . . . . 4972 1 533 . 1 1 46 46 SER N N 15 113.69 0.02 . 1 . . . . . . . . 4972 1 534 . 1 1 47 47 ILE H H 1 9.06 0.10 . 1 . . . . . . . . 4972 1 535 . 1 1 47 47 ILE HA H 1 3.82 0.10 . 1 . . . . . . . . 4972 1 536 . 1 1 47 47 ILE HB H 1 1.82 0.10 . 1 . . . . . . . . 4972 1 537 . 1 1 47 47 ILE HG12 H 1 1.47 0.10 . 2 . . . . . . . . 4972 1 538 . 1 1 47 47 ILE HG13 H 1 1.18 0.10 . 2 . . . . . . . . 4972 1 539 . 1 1 47 47 ILE HG21 H 1 0.93 0.10 . 1 . . . . . . . . 4972 1 540 . 1 1 47 47 ILE HG22 H 1 0.93 0.10 . 1 . . . . . . . . 4972 1 541 . 1 1 47 47 ILE HG23 H 1 0.93 0.10 . 1 . . . . . . . . 4972 1 542 . 1 1 47 47 ILE HD11 H 1 0.88 0.10 . 1 . . . . . . . . 4972 1 543 . 1 1 47 47 ILE HD12 H 1 0.88 0.10 . 1 . . . . . . . . 4972 1 544 . 1 1 47 47 ILE HD13 H 1 0.88 0.10 . 1 . . . . . . . . 4972 1 545 . 1 1 47 47 ILE C C 13 174.70 0.02 . 1 . . . . . . . . 4972 1 546 . 1 1 47 47 ILE CA C 13 63.55 0.02 . 1 . . . . . . . . 4972 1 547 . 1 1 47 47 ILE CB C 13 37.63 0.02 . 1 . . . . . . . . 4972 1 548 . 1 1 47 47 ILE CG1 C 13 28.93 0.02 . 1 . . . . . . . . 4972 1 549 . 1 1 47 47 ILE CG2 C 13 17.21 0.02 . 1 . . . . . . . . 4972 1 550 . 1 1 47 47 ILE CD1 C 13 13.18 0.02 . 1 . . . . . . . . 4972 1 551 . 1 1 47 47 ILE N N 15 129.99 0.02 . 1 . . . . . . . . 4972 1 552 . 1 1 48 48 MET H H 1 8.10 0.10 . 1 . . . . . . . . 4972 1 553 . 1 1 48 48 MET HA H 1 4.16 0.10 . 1 . . . . . . . . 4972 1 554 . 1 1 48 48 MET HB2 H 1 2.62 0.10 . 2 . . . . . . . . 4972 1 555 . 1 1 48 48 MET HB3 H 1 2.51 0.10 . 2 . . . . . . . . 4972 1 556 . 1 1 48 48 MET HG2 H 1 1.95 0.10 . 1 . . . . . . . . 4972 1 557 . 1 1 48 48 MET HG3 H 1 1.95 0.10 . 1 . . . . . . . . 4972 1 558 . 1 1 48 48 MET HE1 H 1 1.95 0.10 . 1 . . . . . . . . 4972 1 559 . 1 1 48 48 MET HE2 H 1 1.95 0.10 . 1 . . . . . . . . 4972 1 560 . 1 1 48 48 MET HE3 H 1 1.95 0.10 . 1 . . . . . . . . 4972 1 561 . 1 1 48 48 MET C C 13 176.90 0.02 . 1 . . . . . . . . 4972 1 562 . 1 1 48 48 MET CA C 13 57.87 0.02 . 1 . . . . . . . . 4972 1 563 . 1 1 48 48 MET CB C 13 31.70 0.02 . 1 . . . . . . . . 4972 1 564 . 1 1 48 48 MET CG C 13 31.44 0.02 . 1 . . . . . . . . 4972 1 565 . 1 1 48 48 MET CE C 13 16.38 0.02 . 1 . . . . . . . . 4972 1 566 . 1 1 48 48 MET N N 15 119.54 0.02 . 1 . . . . . . . . 4972 1 567 . 1 1 49 49 GLY H H 1 8.11 0.10 . 1 . . . . . . . . 4972 1 568 . 1 1 49 49 GLY HA2 H 1 3.79 0.10 . 1 . . . . . . . . 4972 1 569 . 1 1 49 49 GLY HA3 H 1 3.79 0.10 . 1 . . . . . . . . 4972 1 570 . 1 1 49 49 GLY C C 13 179.70 0.02 . 1 . . . . . . . . 4972 1 571 . 1 1 49 49 GLY CA C 13 46.88 0.02 . 1 . . . . . . . . 4972 1 572 . 1 1 49 49 GLY N N 15 108.81 0.02 . 1 . . . . . . . . 4972 1 573 . 1 1 50 50 LEU H H 1 8.19 0.10 . 1 . . . . . . . . 4972 1 574 . 1 1 50 50 LEU HA H 1 3.80 0.10 . 1 . . . . . . . . 4972 1 575 . 1 1 50 50 LEU HB2 H 1 1.74 0.10 . 2 . . . . . . . . 4972 1 576 . 1 1 50 50 LEU HB3 H 1 1.38 0.10 . 2 . . . . . . . . 4972 1 577 . 1 1 50 50 LEU HG H 1 1.65 0.10 . 1 . . . . . . . . 4972 1 578 . 1 1 50 50 LEU HD11 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 579 . 1 1 50 50 LEU HD12 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 580 . 1 1 50 50 LEU HD13 H 1 0.76 0.10 . 1 . . . . . . . . 4972 1 581 . 1 1 50 50 LEU HD21 H 1 0.67 0.10 . 1 . . . . . . . . 4972 1 582 . 1 1 50 50 LEU HD22 H 1 0.67 0.10 . 1 . . . . . . . . 4972 1 583 . 1 1 50 50 LEU HD23 H 1 0.67 0.10 . 1 . . . . . . . . 4972 1 584 . 1 1 50 50 LEU C C 13 176.49 0.02 . 1 . . . . . . . . 4972 1 585 . 1 1 50 50 LEU CA C 13 58.09 0.02 . 1 . . . . . . . . 4972 1 586 . 1 1 50 50 LEU CB C 13 41.82 0.02 . 1 . . . . . . . . 4972 1 587 . 1 1 50 50 LEU CG C 13 26.79 0.02 . 1 . . . . . . . . 4972 1 588 . 1 1 50 50 LEU CD1 C 13 25.67 0.02 . 1 . . . . . . . . 4972 1 589 . 1 1 50 50 LEU CD2 C 13 24.75 0.02 . 1 . . . . . . . . 4972 1 590 . 1 1 50 50 LEU N N 15 123.41 0.02 . 1 . . . . . . . . 4972 1 591 . 1 1 51 51 MET H H 1 8.50 0.10 . 1 . . . . . . . . 4972 1 592 . 1 1 51 51 MET HA H 1 4.25 0.10 . 1 . . . . . . . . 4972 1 593 . 1 1 51 51 MET HB2 H 1 2.72 0.10 . 2 . . . . . . . . 4972 1 594 . 1 1 51 51 MET HB3 H 1 2.50 0.10 . 2 . . . . . . . . 4972 1 595 . 1 1 51 51 MET HG2 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 596 . 1 1 51 51 MET HG3 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 597 . 1 1 51 51 MET HE1 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 598 . 1 1 51 51 MET HE2 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 599 . 1 1 51 51 MET HE3 H 1 2.11 0.10 . 1 . . . . . . . . 4972 1 600 . 1 1 51 51 MET C C 13 180.59 0.02 . 1 . . . . . . . . 4972 1 601 . 1 1 51 51 MET CA C 13 57.57 0.02 . 1 . . . . . . . . 4972 1 602 . 1 1 51 51 MET CB C 13 31.70 0.02 . 1 . . . . . . . . 4972 1 603 . 1 1 51 51 MET CG C 13 31.20 0.02 . 1 . . . . . . . . 4972 1 604 . 1 1 51 51 MET N N 15 117.67 0.02 . 1 . . . . . . . . 4972 1 605 . 1 1 52 52 SER H H 1 7.75 0.10 . 1 . . . . . . . . 4972 1 606 . 1 1 52 52 SER HA H 1 4.23 0.10 . 1 . . . . . . . . 4972 1 607 . 1 1 52 52 SER HB2 H 1 4.03 0.10 . 2 . . . . . . . . 4972 1 608 . 1 1 52 52 SER HB3 H 1 3.97 0.10 . 2 . . . . . . . . 4972 1 609 . 1 1 52 52 SER C C 13 179.11 0.02 . 1 . . . . . . . . 4972 1 610 . 1 1 52 52 SER CA C 13 60.64 0.02 . 1 . . . . . . . . 4972 1 611 . 1 1 52 52 SER CB C 13 62.78 0.02 . 1 . . . . . . . . 4972 1 612 . 1 1 52 52 SER N N 15 115.23 0.02 . 1 . . . . . . . . 4972 1 613 . 1 1 53 53 LEU H H 1 7.09 0.10 . 1 . . . . . . . . 4972 1 614 . 1 1 53 53 LEU HA H 1 4.20 0.10 . 1 . . . . . . . . 4972 1 615 . 1 1 53 53 LEU HB2 H 1 1.62 0.10 . 2 . . . . . . . . 4972 1 616 . 1 1 53 53 LEU HB3 H 1 1.45 0.10 . 2 . . . . . . . . 4972 1 617 . 1 1 53 53 LEU HG H 1 1.69 0.10 . 1 . . . . . . . . 4972 1 618 . 1 1 53 53 LEU HD11 H 1 0.77 0.10 . 1 . . . . . . . . 4972 1 619 . 1 1 53 53 LEU HD12 H 1 0.77 0.10 . 1 . . . . . . . . 4972 1 620 . 1 1 53 53 LEU HD13 H 1 0.77 0.10 . 1 . . . . . . . . 4972 1 621 . 1 1 53 53 LEU HD21 H 1 0.71 0.10 . 1 . . . . . . . . 4972 1 622 . 1 1 53 53 LEU HD22 H 1 0.71 0.10 . 1 . . . . . . . . 4972 1 623 . 1 1 53 53 LEU HD23 H 1 0.71 0.10 . 1 . . . . . . . . 4972 1 624 . 1 1 53 53 LEU C C 13 174.83 0.02 . 1 . . . . . . . . 4972 1 625 . 1 1 53 53 LEU CA C 13 54.57 0.02 . 1 . . . . . . . . 4972 1 626 . 1 1 53 53 LEU CB C 13 43.59 0.02 . 1 . . . . . . . . 4972 1 627 . 1 1 53 53 LEU CG C 13 25.77 0.02 . 1 . . . . . . . . 4972 1 628 . 1 1 53 53 LEU CD1 C 13 25.53 0.02 . 1 . . . . . . . . 4972 1 629 . 1 1 53 53 LEU CD2 C 13 23.14 0.02 . 1 . . . . . . . . 4972 1 630 . 1 1 53 53 LEU N N 15 121.15 0.02 . 1 . . . . . . . . 4972 1 631 . 1 1 54 54 ALA H H 1 7.55 0.10 . 1 . . . . . . . . 4972 1 632 . 1 1 54 54 ALA HA H 1 3.90 0.10 . 1 . . . . . . . . 4972 1 633 . 1 1 54 54 ALA HB1 H 1 1.21 0.10 . 1 . . . . . . . . 4972 1 634 . 1 1 54 54 ALA HB2 H 1 1.21 0.10 . 1 . . . . . . . . 4972 1 635 . 1 1 54 54 ALA HB3 H 1 1.21 0.10 . 1 . . . . . . . . 4972 1 636 . 1 1 54 54 ALA C C 13 175.96 0.02 . 1 . . . . . . . . 4972 1 637 . 1 1 54 54 ALA CA C 13 52.30 0.02 . 1 . . . . . . . . 4972 1 638 . 1 1 54 54 ALA CB C 13 16.46 0.02 . 1 . . . . . . . . 4972 1 639 . 1 1 54 54 ALA N N 15 121.18 0.02 . 1 . . . . . . . . 4972 1 640 . 1 1 55 55 VAL H H 1 8.96 0.10 . 1 . . . . . . . . 4972 1 641 . 1 1 55 55 VAL HA H 1 3.64 0.10 . 1 . . . . . . . . 4972 1 642 . 1 1 55 55 VAL HB H 1 1.94 0.10 . 1 . . . . . . . . 4972 1 643 . 1 1 55 55 VAL HG11 H 1 0.75 0.10 . 1 . . . . . . . . 4972 1 644 . 1 1 55 55 VAL HG12 H 1 0.75 0.10 . 1 . . . . . . . . 4972 1 645 . 1 1 55 55 VAL HG13 H 1 0.75 0.10 . 1 . . . . . . . . 4972 1 646 . 1 1 55 55 VAL HG21 H 1 0.75 0.10 . 1 . . . . . . . . 4972 1 647 . 1 1 55 55 VAL HG22 H 1 0.75 0.10 . 1 . . . . . . . . 4972 1 648 . 1 1 55 55 VAL HG23 H 1 0.75 0.10 . 1 . . . . . . . . 4972 1 649 . 1 1 55 55 VAL C C 13 176.17 0.02 . 1 . . . . . . . . 4972 1 650 . 1 1 55 55 VAL CA C 13 63.27 0.02 . 1 . . . . . . . . 4972 1 651 . 1 1 55 55 VAL CB C 13 30.92 0.02 . 1 . . . . . . . . 4972 1 652 . 1 1 55 55 VAL CG1 C 13 22.11 0.02 . 2 . . . . . . . . 4972 1 653 . 1 1 55 55 VAL CG2 C 13 21.76 0.02 . 2 . . . . . . . . 4972 1 654 . 1 1 55 55 VAL N N 15 120.94 0.02 . 1 . . . . . . . . 4972 1 655 . 1 1 56 56 SER H H 1 8.14 0.10 . 1 . . . . . . . . 4972 1 656 . 1 1 56 56 SER HA H 1 4.59 0.10 . 1 . . . . . . . . 4972 1 657 . 1 1 56 56 SER HB2 H 1 3.87 0.10 . 2 . . . . . . . . 4972 1 658 . 1 1 56 56 SER HB3 H 1 3.84 0.10 . 2 . . . . . . . . 4972 1 659 . 1 1 56 56 SER CA C 13 56.97 0.02 . 1 . . . . . . . . 4972 1 660 . 1 1 56 56 SER CB C 13 64.78 0.02 . 1 . . . . . . . . 4972 1 661 . 1 1 56 56 SER N N 15 124.54 0.02 . 1 . . . . . . . . 4972 1 662 . 1 1 57 57 THR H H 1 8.46 0.10 . 1 . . . . . . . . 4972 1 663 . 1 1 57 57 THR HA H 1 3.74 0.10 . 1 . . . . . . . . 4972 1 664 . 1 1 57 57 THR HB H 1 3.85 0.10 . 1 . . . . . . . . 4972 1 665 . 1 1 57 57 THR HG21 H 1 1.09 0.10 . 1 . . . . . . . . 4972 1 666 . 1 1 57 57 THR HG22 H 1 1.09 0.10 . 1 . . . . . . . . 4972 1 667 . 1 1 57 57 THR HG23 H 1 1.09 0.10 . 1 . . . . . . . . 4972 1 668 . 1 1 57 57 THR C C 13 174.62 0.02 . 1 . . . . . . . . 4972 1 669 . 1 1 57 57 THR CA C 13 64.81 0.02 . 1 . . . . . . . . 4972 1 670 . 1 1 57 57 THR CB C 13 68.49 0.02 . 1 . . . . . . . . 4972 1 671 . 1 1 57 57 THR CG2 C 13 20.29 0.02 . 2 . . . . . . . . 4972 1 672 . 1 1 57 57 THR N N 15 117.79 0.02 . 1 . . . . . . . . 4972 1 673 . 1 1 58 58 GLY H H 1 9.14 0.10 . 1 . . . . . . . . 4972 1 674 . 1 1 58 58 GLY HA2 H 1 4.16 0.10 . 2 . . . . . . . . 4972 1 675 . 1 1 58 58 GLY HA3 H 1 3.77 0.10 . 2 . . . . . . . . 4972 1 676 . 1 1 58 58 GLY C C 13 174.66 0.02 . 1 . . . . . . . . 4972 1 677 . 1 1 58 58 GLY CA C 13 45.00 0.02 . 1 . . . . . . . . 4972 1 678 . 1 1 58 58 GLY N N 15 115.61 0.02 . 1 . . . . . . . . 4972 1 679 . 1 1 59 59 THR H H 1 7.32 0.10 . 1 . . . . . . . . 4972 1 680 . 1 1 59 59 THR HA H 1 4.21 0.10 . 1 . . . . . . . . 4972 1 681 . 1 1 59 59 THR HB H 1 4.01 0.10 . 1 . . . . . . . . 4972 1 682 . 1 1 59 59 THR HG21 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 683 . 1 1 59 59 THR HG22 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 684 . 1 1 59 59 THR HG23 H 1 1.17 0.10 . 1 . . . . . . . . 4972 1 685 . 1 1 59 59 THR C C 13 174.05 0.02 . 1 . . . . . . . . 4972 1 686 . 1 1 59 59 THR CA C 13 62.26 0.02 . 1 . . . . . . . . 4972 1 687 . 1 1 59 59 THR CB C 13 69.65 0.02 . 1 . . . . . . . . 4972 1 688 . 1 1 59 59 THR CG2 C 13 21.46 0.02 . 2 . . . . . . . . 4972 1 689 . 1 1 59 59 THR N N 15 115.01 0.02 . 1 . . . . . . . . 4972 1 690 . 1 1 60 60 GLU H H 1 8.60 0.10 . 1 . . . . . . . . 4972 1 691 . 1 1 60 60 GLU HA H 1 5.06 0.10 . 1 . . . . . . . . 4972 1 692 . 1 1 60 60 GLU HB2 H 1 2.15 0.10 . 2 . . . . . . . . 4972 1 693 . 1 1 60 60 GLU HB3 H 1 1.87 0.10 . 2 . . . . . . . . 4972 1 694 . 1 1 60 60 GLU HG2 H 1 1.92 0.10 . 2 . . . . . . . . 4972 1 695 . 1 1 60 60 GLU HG3 H 1 1.87 0.10 . 2 . . . . . . . . 4972 1 696 . 1 1 60 60 GLU C C 13 172.91 0.02 . 1 . . . . . . . . 4972 1 697 . 1 1 60 60 GLU CA C 13 55.02 0.02 . 1 . . . . . . . . 4972 1 698 . 1 1 60 60 GLU CB C 13 30.90 0.02 . 1 . . . . . . . . 4972 1 699 . 1 1 60 60 GLU CG C 13 36.89 0.02 . 1 . . . . . . . . 4972 1 700 . 1 1 60 60 GLU N N 15 125.63 0.02 . 1 . . . . . . . . 4972 1 701 . 1 1 61 61 VAL H H 1 8.80 0.10 . 1 . . . . . . . . 4972 1 702 . 1 1 61 61 VAL HA H 1 4.88 0.10 . 1 . . . . . . . . 4972 1 703 . 1 1 61 61 VAL HB H 1 2.01 0.10 . 1 . . . . . . . . 4972 1 704 . 1 1 61 61 VAL HG11 H 1 0.76 0.10 . 2 . . . . . . . . 4972 1 705 . 1 1 61 61 VAL HG12 H 1 0.76 0.10 . 2 . . . . . . . . 4972 1 706 . 1 1 61 61 VAL HG13 H 1 0.76 0.10 . 2 . . . . . . . . 4972 1 707 . 1 1 61 61 VAL HG21 H 1 0.60 0.10 . 2 . . . . . . . . 4972 1 708 . 1 1 61 61 VAL HG22 H 1 0.60 0.10 . 2 . . . . . . . . 4972 1 709 . 1 1 61 61 VAL HG23 H 1 0.60 0.10 . 2 . . . . . . . . 4972 1 710 . 1 1 61 61 VAL C C 13 173.77 0.02 . 1 . . . . . . . . 4972 1 711 . 1 1 61 61 VAL CA C 13 58.55 0.02 . 1 . . . . . . . . 4972 1 712 . 1 1 61 61 VAL CB C 13 34.81 0.02 . 1 . . . . . . . . 4972 1 713 . 1 1 61 61 VAL CG1 C 13 22.36 0.02 . 2 . . . . . . . . 4972 1 714 . 1 1 61 61 VAL CG2 C 13 18.23 0.02 . 2 . . . . . . . . 4972 1 715 . 1 1 61 61 VAL N N 15 117.74 0.02 . 1 . . . . . . . . 4972 1 716 . 1 1 62 62 THR H H 1 8.79 0.10 . 1 . . . . . . . . 4972 1 717 . 1 1 62 62 THR HA H 1 4.87 0.10 . 1 . . . . . . . . 4972 1 718 . 1 1 62 62 THR HB H 1 4.01 0.10 . 1 . . . . . . . . 4972 1 719 . 1 1 62 62 THR HG21 H 1 0.94 0.10 . 1 . . . . . . . . 4972 1 720 . 1 1 62 62 THR HG22 H 1 0.94 0.10 . 1 . . . . . . . . 4972 1 721 . 1 1 62 62 THR HG23 H 1 0.94 0.10 . 1 . . . . . . . . 4972 1 722 . 1 1 62 62 THR C C 13 175.92 0.02 . 1 . . . . . . . . 4972 1 723 . 1 1 62 62 THR CA C 13 62.22 0.02 . 1 . . . . . . . . 4972 1 724 . 1 1 62 62 THR CB C 13 69.25 0.02 . 1 . . . . . . . . 4972 1 725 . 1 1 62 62 THR CG2 C 13 21.21 0.02 . 2 . . . . . . . . 4972 1 726 . 1 1 62 62 THR N N 15 117.47 0.02 . 1 . . . . . . . . 4972 1 727 . 1 1 63 63 LEU H H 1 8.78 0.10 . 1 . . . . . . . . 4972 1 728 . 1 1 63 63 LEU HA H 1 5.00 0.10 . 1 . . . . . . . . 4972 1 729 . 1 1 63 63 LEU HB2 H 1 1.51 0.10 . 2 . . . . . . . . 4972 1 730 . 1 1 63 63 LEU HB3 H 1 1.43 0.10 . 2 . . . . . . . . 4972 1 731 . 1 1 63 63 LEU HG H 1 1.29 0.10 . 1 . . . . . . . . 4972 1 732 . 1 1 63 63 LEU HD11 H 1 0.82 0.10 . 1 . . . . . . . . 4972 1 733 . 1 1 63 63 LEU HD12 H 1 0.82 0.10 . 1 . . . . . . . . 4972 1 734 . 1 1 63 63 LEU HD13 H 1 0.82 0.10 . 1 . . . . . . . . 4972 1 735 . 1 1 63 63 LEU HD21 H 1 0.82 0.10 . 1 . . . . . . . . 4972 1 736 . 1 1 63 63 LEU HD22 H 1 0.82 0.10 . 1 . . . . . . . . 4972 1 737 . 1 1 63 63 LEU HD23 H 1 0.82 0.10 . 1 . . . . . . . . 4972 1 738 . 1 1 63 63 LEU C C 13 173.36 0.02 . 1 . . . . . . . . 4972 1 739 . 1 1 63 63 LEU CA C 13 53.54 0.02 . 1 . . . . . . . . 4972 1 740 . 1 1 63 63 LEU CB C 13 44.87 0.02 . 1 . . . . . . . . 4972 1 741 . 1 1 63 63 LEU CG C 13 27.04 0.02 . 1 . . . . . . . . 4972 1 742 . 1 1 63 63 LEU CD1 C 13 24.95 0.02 . 1 . . . . . . . . 4972 1 743 . 1 1 63 63 LEU CD2 C 13 24.95 0.02 . 1 . . . . . . . . 4972 1 744 . 1 1 63 63 LEU N N 15 129.67 0.02 . 1 . . . . . . . . 4972 1 745 . 1 1 64 64 ILE H H 1 8.60 0.10 . 1 . . . . . . . . 4972 1 746 . 1 1 64 64 ILE HA H 1 4.80 0.10 . 1 . . . . . . . . 4972 1 747 . 1 1 64 64 ILE HB H 1 1.59 0.10 . 1 . . . . . . . . 4972 1 748 . 1 1 64 64 ILE HG12 H 1 1.36 0.10 . 2 . . . . . . . . 4972 1 749 . 1 1 64 64 ILE HG13 H 1 0.90 0.10 . 2 . . . . . . . . 4972 1 750 . 1 1 64 64 ILE HG21 H 1 0.87 0.10 . 1 . . . . . . . . 4972 1 751 . 1 1 64 64 ILE HG22 H 1 0.87 0.10 . 1 . . . . . . . . 4972 1 752 . 1 1 64 64 ILE HG23 H 1 0.87 0.10 . 1 . . . . . . . . 4972 1 753 . 1 1 64 64 ILE HD11 H 1 0.64 0.10 . 1 . . . . . . . . 4972 1 754 . 1 1 64 64 ILE HD12 H 1 0.64 0.10 . 1 . . . . . . . . 4972 1 755 . 1 1 64 64 ILE HD13 H 1 0.64 0.10 . 1 . . . . . . . . 4972 1 756 . 1 1 64 64 ILE C C 13 174.66 0.02 . 1 . . . . . . . . 4972 1 757 . 1 1 64 64 ILE CA C 13 59.73 0.02 . 1 . . . . . . . . 4972 1 758 . 1 1 64 64 ILE CB C 13 42.31 0.02 . 1 . . . . . . . . 4972 1 759 . 1 1 64 64 ILE CG1 C 13 27.59 0.02 . 1 . . . . . . . . 4972 1 760 . 1 1 64 64 ILE CG2 C 13 17.67 0.02 . 1 . . . . . . . . 4972 1 761 . 1 1 64 64 ILE CD1 C 13 14.60 0.02 . 1 . . . . . . . . 4972 1 762 . 1 1 64 64 ILE N N 15 123.35 0.02 . 1 . . . . . . . . 4972 1 763 . 1 1 65 65 ALA H H 1 8.95 0.10 . 1 . . . . . . . . 4972 1 764 . 1 1 65 65 ALA HA H 1 5.64 0.10 . 1 . . . . . . . . 4972 1 765 . 1 1 65 65 ALA HB1 H 1 1.11 0.10 . 1 . . . . . . . . 4972 1 766 . 1 1 65 65 ALA HB2 H 1 1.11 0.10 . 1 . . . . . . . . 4972 1 767 . 1 1 65 65 ALA HB3 H 1 1.11 0.10 . 1 . . . . . . . . 4972 1 768 . 1 1 65 65 ALA C C 13 174.17 0.02 . 1 . . . . . . . . 4972 1 769 . 1 1 65 65 ALA CA C 13 50.02 0.02 . 1 . . . . . . . . 4972 1 770 . 1 1 65 65 ALA CB C 13 22.67 0.02 . 1 . . . . . . . . 4972 1 771 . 1 1 65 65 ALA N N 15 127.00 0.02 . 1 . . . . . . . . 4972 1 772 . 1 1 66 66 GLN H H 1 8.78 0.10 . 1 . . . . . . . . 4972 1 773 . 1 1 66 66 GLN HA H 1 5.35 0.10 . 1 . . . . . . . . 4972 1 774 . 1 1 66 66 GLN HB2 H 1 2.05 0.10 . 2 . . . . . . . . 4972 1 775 . 1 1 66 66 GLN HB3 H 1 1.86 0.10 . 2 . . . . . . . . 4972 1 776 . 1 1 66 66 GLN HG2 H 1 2.30 0.10 . 1 . . . . . . . . 4972 1 777 . 1 1 66 66 GLN HG3 H 1 2.30 0.10 . 1 . . . . . . . . 4972 1 778 . 1 1 66 66 GLN HE21 H 1 7.59 0.10 . 2 . . . . . . . . 4972 1 779 . 1 1 66 66 GLN HE22 H 1 6.67 0.10 . 2 . . . . . . . . 4972 1 780 . 1 1 66 66 GLN C C 13 174.86 0.02 . 1 . . . . . . . . 4972 1 781 . 1 1 66 66 GLN CA C 13 53.47 0.02 . 1 . . . . . . . . 4972 1 782 . 1 1 66 66 GLN CB C 13 31.90 0.02 . 1 . . . . . . . . 4972 1 783 . 1 1 66 66 GLN CG C 13 33.56 0.02 . 1 . . . . . . . . 4972 1 784 . 1 1 66 66 GLN N N 15 119.70 0.02 . 1 . . . . . . . . 4972 1 785 . 1 1 66 66 GLN NE2 N 15 111.50 0.02 . 2 . . . . . . . . 4972 1 786 . 1 1 67 67 GLY H H 1 10.37 0.10 . 1 . . . . . . . . 4972 1 787 . 1 1 67 67 GLY HA2 H 1 4.75 0.10 . 2 . . . . . . . . 4972 1 788 . 1 1 67 67 GLY HA3 H 1 3.84 0.10 . 2 . . . . . . . . 4972 1 789 . 1 1 67 67 GLY C C 13 174.01 0.02 . 1 . . . . . . . . 4972 1 790 . 1 1 67 67 GLY CA C 13 45.28 0.02 . 1 . . . . . . . . 4972 1 791 . 1 1 67 67 GLY N N 15 119.44 0.02 . 1 . . . . . . . . 4972 1 792 . 1 1 68 68 GLU H H 1 8.92 0.10 . 1 . . . . . . . . 4972 1 793 . 1 1 68 68 GLU HA H 1 3.95 0.10 . 1 . . . . . . . . 4972 1 794 . 1 1 68 68 GLU HB2 H 1 1.91 0.10 . 1 . . . . . . . . 4972 1 795 . 1 1 68 68 GLU HB3 H 1 1.91 0.10 . 1 . . . . . . . . 4972 1 796 . 1 1 68 68 GLU HG2 H 1 2.25 0.10 . 1 . . . . . . . . 4972 1 797 . 1 1 68 68 GLU HG3 H 1 2.25 0.10 . 1 . . . . . . . . 4972 1 798 . 1 1 68 68 GLU C C 13 175.16 0.02 . 1 . . . . . . . . 4972 1 799 . 1 1 68 68 GLU CA C 13 59.17 0.02 . 1 . . . . . . . . 4972 1 800 . 1 1 68 68 GLU CB C 13 29.41 0.02 . 1 . . . . . . . . 4972 1 801 . 1 1 68 68 GLU CG C 13 35.84 0.02 . 1 . . . . . . . . 4972 1 802 . 1 1 68 68 GLU N N 15 118.75 0.02 . 1 . . . . . . . . 4972 1 803 . 1 1 69 69 ASP H H 1 7.18 0.10 . 1 . . . . . . . . 4972 1 804 . 1 1 69 69 ASP HA H 1 4.92 0.10 . 1 . . . . . . . . 4972 1 805 . 1 1 69 69 ASP HB2 H 1 3.37 0.10 . 2 . . . . . . . . 4972 1 806 . 1 1 69 69 ASP HB3 H 1 2.59 0.10 . 2 . . . . . . . . 4972 1 807 . 1 1 69 69 ASP C C 13 177.23 0.02 . 1 . . . . . . . . 4972 1 808 . 1 1 69 69 ASP CA C 13 51.05 0.02 . 1 . . . . . . . . 4972 1 809 . 1 1 69 69 ASP CB C 13 39.20 0.02 . 1 . . . . . . . . 4972 1 810 . 1 1 69 69 ASP N N 15 114.74 0.02 . 1 . . . . . . . . 4972 1 811 . 1 1 70 70 GLU H H 1 6.83 0.10 . 1 . . . . . . . . 4972 1 812 . 1 1 70 70 GLU HA H 1 3.62 0.10 . 1 . . . . . . . . 4972 1 813 . 1 1 70 70 GLU HB2 H 1 2.32 0.10 . 2 . . . . . . . . 4972 1 814 . 1 1 70 70 GLU HB3 H 1 1.66 0.10 . 2 . . . . . . . . 4972 1 815 . 1 1 70 70 GLU HG2 H 1 2.62 0.10 . 2 . . . . . . . . 4972 1 816 . 1 1 70 70 GLU HG3 H 1 2.00 0.10 . 2 . . . . . . . . 4972 1 817 . 1 1 70 70 GLU C C 13 176.30 0.02 . 1 . . . . . . . . 4972 1 818 . 1 1 70 70 GLU CA C 13 59.13 0.02 . 1 . . . . . . . . 4972 1 819 . 1 1 70 70 GLU CB C 13 26.52 0.02 . 1 . . . . . . . . 4972 1 820 . 1 1 70 70 GLU CG C 13 33.77 0.02 . 1 . . . . . . . . 4972 1 821 . 1 1 70 70 GLU N N 15 117.49 0.02 . 1 . . . . . . . . 4972 1 822 . 1 1 71 71 GLN H H 1 8.00 0.10 . 1 . . . . . . . . 4972 1 823 . 1 1 71 71 GLN HA H 1 3.83 0.10 . 1 . . . . . . . . 4972 1 824 . 1 1 71 71 GLN HB2 H 1 1.96 0.10 . 1 . . . . . . . . 4972 1 825 . 1 1 71 71 GLN HB3 H 1 1.96 0.10 . 1 . . . . . . . . 4972 1 826 . 1 1 71 71 GLN HG2 H 1 2.31 0.10 . 1 . . . . . . . . 4972 1 827 . 1 1 71 71 GLN HG3 H 1 2.31 0.10 . 1 . . . . . . . . 4972 1 828 . 1 1 71 71 GLN HE21 H 1 7.80 0.10 . 2 . . . . . . . . 4972 1 829 . 1 1 71 71 GLN HE22 H 1 6.66 0.10 . 2 . . . . . . . . 4972 1 830 . 1 1 71 71 GLN C C 13 176.13 0.02 . 1 . . . . . . . . 4972 1 831 . 1 1 71 71 GLN CA C 13 58.62 0.02 . 1 . . . . . . . . 4972 1 832 . 1 1 71 71 GLN CB C 13 27.32 0.02 . 1 . . . . . . . . 4972 1 833 . 1 1 71 71 GLN CG C 13 33.37 0.02 . 1 . . . . . . . . 4972 1 834 . 1 1 71 71 GLN N N 15 119.37 0.02 . 1 . . . . . . . . 4972 1 835 . 1 1 71 71 GLN NE2 N 15 112.55 0.02 . 2 . . . . . . . . 4972 1 836 . 1 1 72 72 GLU H H 1 7.85 0.10 . 1 . . . . . . . . 4972 1 837 . 1 1 72 72 GLU HA H 1 3.84 0.10 . 1 . . . . . . . . 4972 1 838 . 1 1 72 72 GLU HB2 H 1 1.96 0.10 . 1 . . . . . . . . 4972 1 839 . 1 1 72 72 GLU HB3 H 1 1.96 0.10 . 1 . . . . . . . . 4972 1 840 . 1 1 72 72 GLU HG2 H 1 2.28 0.10 . 1 . . . . . . . . 4972 1 841 . 1 1 72 72 GLU HG3 H 1 2.28 0.10 . 1 . . . . . . . . 4972 1 842 . 1 1 72 72 GLU C C 13 177.85 0.02 . 1 . . . . . . . . 4972 1 843 . 1 1 72 72 GLU CA C 13 58.62 0.02 . 1 . . . . . . . . 4972 1 844 . 1 1 72 72 GLU CB C 13 27.32 0.02 . 1 . . . . . . . . 4972 1 845 . 1 1 72 72 GLU CG C 13 36.32 0.02 . 1 . . . . . . . . 4972 1 846 . 1 1 72 72 GLU N N 15 121.19 0.02 . 1 . . . . . . . . 4972 1 847 . 1 1 73 73 ALA H H 1 8.04 0.10 . 1 . . . . . . . . 4972 1 848 . 1 1 73 73 ALA HA H 1 1.85 0.10 . 1 . . . . . . . . 4972 1 849 . 1 1 73 73 ALA HB1 H 1 0.45 0.10 . 1 . . . . . . . . 4972 1 850 . 1 1 73 73 ALA HB2 H 1 0.45 0.10 . 1 . . . . . . . . 4972 1 851 . 1 1 73 73 ALA HB3 H 1 0.45 0.10 . 1 . . . . . . . . 4972 1 852 . 1 1 73 73 ALA C C 13 177.84 0.02 . 1 . . . . . . . . 4972 1 853 . 1 1 73 73 ALA CA C 13 53.49 0.02 . 1 . . . . . . . . 4972 1 854 . 1 1 73 73 ALA CB C 13 17.43 0.02 . 1 . . . . . . . . 4972 1 855 . 1 1 73 73 ALA N N 15 121.63 0.02 . 1 . . . . . . . . 4972 1 856 . 1 1 74 74 LEU H H 1 7.58 0.10 . 1 . . . . . . . . 4972 1 857 . 1 1 74 74 LEU HA H 1 3.55 0.10 . 1 . . . . . . . . 4972 1 858 . 1 1 74 74 LEU HB2 H 1 1.65 0.10 . 2 . . . . . . . . 4972 1 859 . 1 1 74 74 LEU HB3 H 1 1.37 0.10 . 2 . . . . . . . . 4972 1 860 . 1 1 74 74 LEU HG H 1 1.43 0.10 . 1 . . . . . . . . 4972 1 861 . 1 1 74 74 LEU HD11 H 1 0.69 0.10 . 1 . . . . . . . . 4972 1 862 . 1 1 74 74 LEU HD12 H 1 0.69 0.10 . 1 . . . . . . . . 4972 1 863 . 1 1 74 74 LEU HD13 H 1 0.69 0.10 . 1 . . . . . . . . 4972 1 864 . 1 1 74 74 LEU HD21 H 1 0.69 0.10 . 1 . . . . . . . . 4972 1 865 . 1 1 74 74 LEU HD22 H 1 0.69 0.10 . 1 . . . . . . . . 4972 1 866 . 1 1 74 74 LEU HD23 H 1 0.69 0.10 . 1 . . . . . . . . 4972 1 867 . 1 1 74 74 LEU C C 13 178.57 0.02 . 1 . . . . . . . . 4972 1 868 . 1 1 74 74 LEU CA C 13 57.70 0.02 . 1 . . . . . . . . 4972 1 869 . 1 1 74 74 LEU CB C 13 41.60 0.02 . 1 . . . . . . . . 4972 1 870 . 1 1 74 74 LEU CG C 13 25.53 0.02 . 1 . . . . . . . . 4972 1 871 . 1 1 74 74 LEU CD1 C 13 25.28 0.02 . 1 . . . . . . . . 4972 1 872 . 1 1 74 74 LEU CD2 C 13 24.27 0.02 . 1 . . . . . . . . 4972 1 873 . 1 1 74 74 LEU N N 15 115.82 0.02 . 1 . . . . . . . . 4972 1 874 . 1 1 75 75 GLU H H 1 7.62 0.10 . 1 . . . . . . . . 4972 1 875 . 1 1 75 75 GLU HA H 1 3.81 0.10 . 1 . . . . . . . . 4972 1 876 . 1 1 75 75 GLU HB2 H 1 2.00 0.10 . 2 . . . . . . . . 4972 1 877 . 1 1 75 75 GLU HB3 H 1 1.95 0.10 . 2 . . . . . . . . 4972 1 878 . 1 1 75 75 GLU HG2 H 1 2.38 0.10 . 2 . . . . . . . . 4972 1 879 . 1 1 75 75 GLU HG3 H 1 2.13 0.10 . 2 . . . . . . . . 4972 1 880 . 1 1 75 75 GLU C C 13 178.13 0.02 . 1 . . . . . . . . 4972 1 881 . 1 1 75 75 GLU CA C 13 58.91 0.02 . 1 . . . . . . . . 4972 1 882 . 1 1 75 75 GLU CB C 13 29.35 0.02 . 1 . . . . . . . . 4972 1 883 . 1 1 75 75 GLU CG C 13 35.88 0.02 . 1 . . . . . . . . 4972 1 884 . 1 1 75 75 GLU N N 15 115.75 0.02 . 1 . . . . . . . . 4972 1 885 . 1 1 76 76 LYS H H 1 8.04 0.10 . 1 . . . . . . . . 4972 1 886 . 1 1 76 76 LYS HA H 1 4.09 0.10 . 1 . . . . . . . . 4972 1 887 . 1 1 76 76 LYS HB2 H 1 1.96 0.10 . 2 . . . . . . . . 4972 1 888 . 1 1 76 76 LYS HB3 H 1 1.87 0.10 . 2 . . . . . . . . 4972 1 889 . 1 1 76 76 LYS HG2 H 1 1.68 0.10 . 2 . . . . . . . . 4972 1 890 . 1 1 76 76 LYS HG3 H 1 1.50 0.10 . 2 . . . . . . . . 4972 1 891 . 1 1 76 76 LYS HD2 H 1 1.78 0.10 . 1 . . . . . . . . 4972 1 892 . 1 1 76 76 LYS HD3 H 1 1.78 0.10 . 1 . . . . . . . . 4972 1 893 . 1 1 76 76 LYS HE2 H 1 2.95 0.10 . 1 . . . . . . . . 4972 1 894 . 1 1 76 76 LYS HE3 H 1 2.95 0.10 . 1 . . . . . . . . 4972 1 895 . 1 1 76 76 LYS C C 13 180.28 0.02 . 1 . . . . . . . . 4972 1 896 . 1 1 76 76 LYS CA C 13 58.15 0.02 . 1 . . . . . . . . 4972 1 897 . 1 1 76 76 LYS CB C 13 31.70 0.02 . 1 . . . . . . . . 4972 1 898 . 1 1 76 76 LYS CG C 13 24.97 0.02 . 1 . . . . . . . . 4972 1 899 . 1 1 76 76 LYS CD C 13 28.07 0.02 . 1 . . . . . . . . 4972 1 900 . 1 1 76 76 LYS CE C 13 41.80 0.02 . 1 . . . . . . . . 4972 1 901 . 1 1 76 76 LYS N N 15 118.30 0.02 . 1 . . . . . . . . 4972 1 902 . 1 1 77 77 LEU H H 1 8.24 0.10 . 1 . . . . . . . . 4972 1 903 . 1 1 77 77 LEU HA H 1 4.13 0.10 . 1 . . . . . . . . 4972 1 904 . 1 1 77 77 LEU HB2 H 1 1.75 0.10 . 2 . . . . . . . . 4972 1 905 . 1 1 77 77 LEU HB3 H 1 1.27 0.10 . 2 . . . . . . . . 4972 1 906 . 1 1 77 77 LEU HG H 1 1.75 0.10 . 1 . . . . . . . . 4972 1 907 . 1 1 77 77 LEU HD11 H 1 0.51 0.10 . 1 . . . . . . . . 4972 1 908 . 1 1 77 77 LEU HD12 H 1 0.51 0.10 . 1 . . . . . . . . 4972 1 909 . 1 1 77 77 LEU HD13 H 1 0.51 0.10 . 1 . . . . . . . . 4972 1 910 . 1 1 77 77 LEU HD21 H 1 0.11 0.10 . 1 . . . . . . . . 4972 1 911 . 1 1 77 77 LEU HD22 H 1 0.11 0.10 . 1 . . . . . . . . 4972 1 912 . 1 1 77 77 LEU HD23 H 1 0.11 0.10 . 1 . . . . . . . . 4972 1 913 . 1 1 77 77 LEU C C 13 179.63 0.02 . 1 . . . . . . . . 4972 1 914 . 1 1 77 77 LEU CA C 13 57.29 0.02 . 1 . . . . . . . . 4972 1 915 . 1 1 77 77 LEU CB C 13 40.28 0.02 . 1 . . . . . . . . 4972 1 916 . 1 1 77 77 LEU CG C 13 26.24 0.02 . 1 . . . . . . . . 4972 1 917 . 1 1 77 77 LEU CD1 C 13 26.02 0.02 . 1 . . . . . . . . 4972 1 918 . 1 1 77 77 LEU CD2 C 13 19.81 0.02 . 1 . . . . . . . . 4972 1 919 . 1 1 77 77 LEU N N 15 119.63 0.02 . 1 . . . . . . . . 4972 1 920 . 1 1 78 78 ALA H H 1 8.64 0.10 . 1 . . . . . . . . 4972 1 921 . 1 1 78 78 ALA HA H 1 3.86 0.10 . 1 . . . . . . . . 4972 1 922 . 1 1 78 78 ALA HB1 H 1 1.26 0.10 . 1 . . . . . . . . 4972 1 923 . 1 1 78 78 ALA HB2 H 1 1.26 0.10 . 1 . . . . . . . . 4972 1 924 . 1 1 78 78 ALA HB3 H 1 1.26 0.10 . 1 . . . . . . . . 4972 1 925 . 1 1 78 78 ALA C C 13 178.70 0.02 . 1 . . . . . . . . 4972 1 926 . 1 1 78 78 ALA CA C 13 55.01 0.02 . 1 . . . . . . . . 4972 1 927 . 1 1 78 78 ALA CB C 13 17.23 0.02 . 1 . . . . . . . . 4972 1 928 . 1 1 78 78 ALA N N 15 121.42 0.02 . 1 . . . . . . . . 4972 1 929 . 1 1 79 79 ALA H H 1 7.25 0.10 . 1 . . . . . . . . 4972 1 930 . 1 1 79 79 ALA HA H 1 4.09 0.10 . 1 . . . . . . . . 4972 1 931 . 1 1 79 79 ALA HB1 H 1 1.47 0.10 . 1 . . . . . . . . 4972 1 932 . 1 1 79 79 ALA HB2 H 1 1.47 0.10 . 1 . . . . . . . . 4972 1 933 . 1 1 79 79 ALA HB3 H 1 1.47 0.10 . 1 . . . . . . . . 4972 1 934 . 1 1 79 79 ALA C C 13 179.63 0.02 . 1 . . . . . . . . 4972 1 935 . 1 1 79 79 ALA CA C 13 54.62 0.02 . 1 . . . . . . . . 4972 1 936 . 1 1 79 79 ALA CB C 13 17.71 0.02 . 1 . . . . . . . . 4972 1 937 . 1 1 79 79 ALA N N 15 118.24 0.02 . 1 . . . . . . . . 4972 1 938 . 1 1 80 80 TYR H H 1 7.78 0.10 . 1 . . . . . . . . 4972 1 939 . 1 1 80 80 TYR HA H 1 4.16 0.10 . 1 . . . . . . . . 4972 1 940 . 1 1 80 80 TYR HB2 H 1 3.36 0.10 . 2 . . . . . . . . 4972 1 941 . 1 1 80 80 TYR HB3 H 1 3.25 0.10 . 2 . . . . . . . . 4972 1 942 . 1 1 80 80 TYR HD1 H 1 7.08 0.10 . 1 . . . . . . . . 4972 1 943 . 1 1 80 80 TYR HD2 H 1 7.08 0.10 . 1 . . . . . . . . 4972 1 944 . 1 1 80 80 TYR HE1 H 1 6.71 0.10 . 1 . . . . . . . . 4972 1 945 . 1 1 80 80 TYR HE2 H 1 6.71 0.10 . 1 . . . . . . . . 4972 1 946 . 1 1 80 80 TYR C C 13 180.22 0.02 . 1 . . . . . . . . 4972 1 947 . 1 1 80 80 TYR CA C 13 61.39 0.02 . 1 . . . . . . . . 4972 1 948 . 1 1 80 80 TYR CB C 13 38.39 0.02 . 1 . . . . . . . . 4972 1 949 . 1 1 80 80 TYR CD1 C 13 132.75 0.02 . 2 . . . . . . . . 4972 1 950 . 1 1 80 80 TYR CE1 C 13 118.31 0.02 . 2 . . . . . . . . 4972 1 951 . 1 1 80 80 TYR N N 15 117.99 0.02 . 1 . . . . . . . . 4972 1 952 . 1 1 81 81 VAL H H 1 7.63 0.10 . 1 . . . . . . . . 4972 1 953 . 1 1 81 81 VAL HA H 1 4.08 0.10 . 1 . . . . . . . . 4972 1 954 . 1 1 81 81 VAL HB H 1 2.35 0.10 . 1 . . . . . . . . 4972 1 955 . 1 1 81 81 VAL HG11 H 1 1.05 0.10 . 1 . . . . . . . . 4972 1 956 . 1 1 81 81 VAL HG12 H 1 1.05 0.10 . 1 . . . . . . . . 4972 1 957 . 1 1 81 81 VAL HG13 H 1 1.05 0.10 . 1 . . . . . . . . 4972 1 958 . 1 1 81 81 VAL HG21 H 1 1.05 0.10 . 1 . . . . . . . . 4972 1 959 . 1 1 81 81 VAL HG22 H 1 1.05 0.10 . 1 . . . . . . . . 4972 1 960 . 1 1 81 81 VAL HG23 H 1 1.05 0.10 . 1 . . . . . . . . 4972 1 961 . 1 1 81 81 VAL C C 13 178.17 0.02 . 1 . . . . . . . . 4972 1 962 . 1 1 81 81 VAL CA C 13 63.06 0.02 . 1 . . . . . . . . 4972 1 963 . 1 1 81 81 VAL CB C 13 31.40 0.02 . 1 . . . . . . . . 4972 1 964 . 1 1 81 81 VAL CG1 C 13 22.68 0.02 . 2 . . . . . . . . 4972 1 965 . 1 1 81 81 VAL CG2 C 13 19.82 0.02 . 2 . . . . . . . . 4972 1 966 . 1 1 81 81 VAL N N 15 107.74 0.02 . 1 . . . . . . . . 4972 1 967 . 1 1 82 82 GLN H H 1 7.50 0.10 . 1 . . . . . . . . 4972 1 968 . 1 1 82 82 GLN HA H 1 4.25 0.10 . 1 . . . . . . . . 4972 1 969 . 1 1 82 82 GLN HB2 H 1 2.27 0.10 . 2 . . . . . . . . 4972 1 970 . 1 1 82 82 GLN HB3 H 1 2.06 0.10 . 2 . . . . . . . . 4972 1 971 . 1 1 82 82 GLN HG2 H 1 2.67 0.10 . 2 . . . . . . . . 4972 1 972 . 1 1 82 82 GLN HG3 H 1 2.52 0.10 . 2 . . . . . . . . 4972 1 973 . 1 1 82 82 GLN HE21 H 1 7.20 0.10 . 2 . . . . . . . . 4972 1 974 . 1 1 82 82 GLN HE22 H 1 6.84 0.10 . 2 . . . . . . . . 4972 1 975 . 1 1 82 82 GLN C C 13 175.84 0.02 . 1 . . . . . . . . 4972 1 976 . 1 1 82 82 GLN CA C 13 56.48 0.02 . 1 . . . . . . . . 4972 1 977 . 1 1 82 82 GLN CB C 13 29.96 0.02 . 1 . . . . . . . . 4972 1 978 . 1 1 82 82 GLN CG C 13 35.51 0.02 . 1 . . . . . . . . 4972 1 979 . 1 1 82 82 GLN N N 15 117.28 0.02 . 1 . . . . . . . . 4972 1 980 . 1 1 82 82 GLN NE2 N 15 111.24 0.02 . 2 . . . . . . . . 4972 1 981 . 1 1 83 83 GLU H H 1 7.30 0.10 . 1 . . . . . . . . 4972 1 982 . 1 1 83 83 GLU HA H 1 4.09 0.10 . 1 . . . . . . . . 4972 1 983 . 1 1 83 83 GLU HB2 H 1 2.02 0.10 . 2 . . . . . . . . 4972 1 984 . 1 1 83 83 GLU HB3 H 1 1.82 0.10 . 2 . . . . . . . . 4972 1 985 . 1 1 83 83 GLU HG2 H 1 2.15 0.10 . 1 . . . . . . . . 4972 1 986 . 1 1 83 83 GLU HG3 H 1 2.15 0.10 . 1 . . . . . . . . 4972 1 987 . 1 1 83 83 GLU C C 13 174.58 0.02 . 1 . . . . . . . . 4972 1 988 . 1 1 83 83 GLU CA C 13 56.06 0.02 . 1 . . . . . . . . 4972 1 989 . 1 1 83 83 GLU CB C 13 29.12 0.02 . 1 . . . . . . . . 4972 1 990 . 1 1 83 83 GLU CG C 13 36.06 0.02 . 1 . . . . . . . . 4972 1 991 . 1 1 83 83 GLU N N 15 119.18 0.02 . 1 . . . . . . . . 4972 1 992 . 1 1 84 84 GLU H H 1 8.24 0.10 . 1 . . . . . . . . 4972 1 993 . 1 1 84 84 GLU HA H 1 4.23 0.10 . 1 . . . . . . . . 4972 1 994 . 1 1 84 84 GLU HB2 H 1 1.95 0.10 . 2 . . . . . . . . 4972 1 995 . 1 1 84 84 GLU HB3 H 1 1.83 0.10 . 2 . . . . . . . . 4972 1 996 . 1 1 84 84 GLU HG2 H 1 2.21 0.10 . 2 . . . . . . . . 4972 1 997 . 1 1 84 84 GLU HG3 H 1 2.11 0.10 . 2 . . . . . . . . 4972 1 998 . 1 1 84 84 GLU C C 13 175.19 0.02 . 1 . . . . . . . . 4972 1 999 . 1 1 84 84 GLU CA C 13 56.57 0.02 . 1 . . . . . . . . 4972 1 1000 . 1 1 84 84 GLU CB C 13 30.42 0.02 . 1 . . . . . . . . 4972 1 1001 . 1 1 84 84 GLU CG C 13 36.39 0.02 . 1 . . . . . . . . 4972 1 1002 . 1 1 84 84 GLU N N 15 119.08 0.02 . 1 . . . . . . . . 4972 1 1003 . 1 1 85 85 VAL H H 1 7.87 0.10 . 1 . . . . . . . . 4972 1 1004 . 1 1 85 85 VAL HA H 1 4.06 0.10 . 1 . . . . . . . . 4972 1 1005 . 1 1 85 85 VAL HB H 1 1.92 0.10 . 1 . . . . . . . . 4972 1 1006 . 1 1 85 85 VAL HG11 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 1007 . 1 1 85 85 VAL HG12 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 1008 . 1 1 85 85 VAL HG13 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 1009 . 1 1 85 85 VAL HG21 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 1010 . 1 1 85 85 VAL HG22 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 1011 . 1 1 85 85 VAL HG23 H 1 0.81 0.10 . 1 . . . . . . . . 4972 1 1012 . 1 1 85 85 VAL C C 13 176.86 0.02 . 1 . . . . . . . . 4972 1 1013 . 1 1 85 85 VAL CA C 13 61.22 0.02 . 1 . . . . . . . . 4972 1 1014 . 1 1 85 85 VAL CB C 13 33.03 0.02 . 1 . . . . . . . . 4972 1 1015 . 1 1 85 85 VAL CG1 C 13 20.31 0.02 . 1 . . . . . . . . 4972 1 1016 . 1 1 85 85 VAL CG2 C 13 20.31 0.02 . 1 . . . . . . . . 4972 1 1017 . 1 1 85 85 VAL N N 15 118.92 0.02 . 1 . . . . . . . . 4972 1 1018 . 1 1 86 86 LEU H H 1 8.21 0.10 . 1 . . . . . . . . 4972 1 1019 . 1 1 86 86 LEU HA H 1 4.23 0.10 . 1 . . . . . . . . 4972 1 1020 . 1 1 86 86 LEU HB2 H 1 1.46 0.10 . 2 . . . . . . . . 4972 1 1021 . 1 1 86 86 LEU HB3 H 1 1.37 0.10 . 2 . . . . . . . . 4972 1 1022 . 1 1 86 86 LEU HG H 1 1.45 0.10 . 1 . . . . . . . . 4972 1 1023 . 1 1 86 86 LEU HD11 H 1 0.79 0.10 . 1 . . . . . . . . 4972 1 1024 . 1 1 86 86 LEU HD12 H 1 0.79 0.10 . 1 . . . . . . . . 4972 1 1025 . 1 1 86 86 LEU HD13 H 1 0.79 0.10 . 1 . . . . . . . . 4972 1 1026 . 1 1 86 86 LEU HD21 H 1 0.67 0.10 . 1 . . . . . . . . 4972 1 1027 . 1 1 86 86 LEU HD22 H 1 0.67 0.10 . 1 . . . . . . . . 4972 1 1028 . 1 1 86 86 LEU HD23 H 1 0.67 0.10 . 1 . . . . . . . . 4972 1 1029 . 1 1 86 86 LEU C C 13 175.40 0.02 . 1 . . . . . . . . 4972 1 1030 . 1 1 86 86 LEU CA C 13 54.49 0.02 . 1 . . . . . . . . 4972 1 1031 . 1 1 86 86 LEU CB C 13 41.98 0.02 . 1 . . . . . . . . 4972 1 1032 . 1 1 86 86 LEU CG C 13 26.27 0.02 . 1 . . . . . . . . 4972 1 1033 . 1 1 86 86 LEU CD1 C 13 24.66 0.02 . 1 . . . . . . . . 4972 1 1034 . 1 1 86 86 LEU CD2 C 13 23.12 0.02 . 1 . . . . . . . . 4972 1 1035 . 1 1 86 86 LEU N N 15 125.93 0.02 . 1 . . . . . . . . 4972 1 1036 . 1 1 87 87 GLN H H 1 8.35 0.10 . 1 . . . . . . . . 4972 1 1037 . 1 1 87 87 GLN HA H 1 4.20 0.10 . 1 . . . . . . . . 4972 1 1038 . 1 1 87 87 GLN HB2 H 1 1.88 0.10 . 2 . . . . . . . . 4972 1 1039 . 1 1 87 87 GLN HB3 H 1 1.78 0.10 . 2 . . . . . . . . 4972 1 1040 . 1 1 87 87 GLN HG2 H 1 2.19 0.10 . 1 . . . . . . . . 4972 1 1041 . 1 1 87 87 GLN HG3 H 1 2.19 0.10 . 1 . . . . . . . . 4972 1 1042 . 1 1 87 87 GLN HE21 H 1 7.40 0.10 . 2 . . . . . . . . 4972 1 1043 . 1 1 87 87 GLN HE22 H 1 6.72 0.10 . 2 . . . . . . . . 4972 1 1044 . 1 1 87 87 GLN C C 13 176.99 0.02 . 1 . . . . . . . . 4972 1 1045 . 1 1 87 87 GLN CA C 13 55.43 0.02 . 1 . . . . . . . . 4972 1 1046 . 1 1 87 87 GLN CB C 13 28.89 0.02 . 1 . . . . . . . . 4972 1 1047 . 1 1 87 87 GLN CG C 13 33.07 0.02 . 1 . . . . . . . . 4972 1 1048 . 1 1 87 87 GLN N N 15 121.66 0.02 . 1 . . . . . . . . 4972 1 1049 . 1 1 87 87 GLN NE2 N 15 112.44 0.02 . 2 . . . . . . . . 4972 1 stop_ save_