data_4285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4285 _Entry.Title ; 1H, 13C and 15N NMR Sequence-Specific Resonance Assignments for Rat Apo-S100A1(aa). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-12-17 _Entry.Accession_date 1999-12-17 _Entry.Last_release_date 1999-10-01 _Entry.Original_release_date 1999-10-01 _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 Donna Baldisseri . M. . 4285 2 Richard Rustandi . R. . 4285 3 Zhongsen Zhong . . . 4285 4 Chun Tang . . . 4285 5 Catherine Bair . L. . 4285 6 Aimee Landar . . . 4285 7 Alexandar Landar . . . 4285 8 Dana Zimmer . B. . 4285 9 David Weber . J. . 4285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 4285 '15N chemical shifts' 115 4285 '1H chemical shifts' 701 4285 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 . . 1999-10-01 1998-12-17 original author . 4285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1K2H 'BMRB Entry Tracking System' 4285 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4285 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99311321 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Baldisseri, D. M., Rustandi, R. R., Zhong, Z., Tang, C., Bair, C. L., Landar, A., Landar, A., Zimmer, D. B., and Weber, D. J., "1H, 13C and 15N NMR Sequence-Specific Resonance Assignments for Rat Apo-S100A1(aa)," J. Biomol. NMR 14, 91-92 (1999). ; _Citation.Title ; 1H, 13C and 15N NMR Sequence-Specific Resonance Assignments for Rat Apo-S100A1(aa). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 14 _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 91 _Citation.Page_last 92 _Citation.Year 1999 _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 Donna Baldisseri . M. . 4285 1 2 Richard Rustandi . R. . 4285 1 3 Zhongsen Zhong . . . 4285 1 4 Chun Tang . . . 4285 1 5 Catherine Bair . L. . 4285 1 6 Aimee Landar . . . 4285 1 7 Alexandar Landar . . . 4285 1 8 Dana Zimmer . B. . 4285 1 9 David Weber . J. . 4285 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heteronuclear NMR' 4285 1 S100A 4285 1 'S100 protein' 4285 1 'sequence-specific assignments' 4285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_S100A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_S100A _Assembly.Entry_ID 4285 _Assembly.ID 1 _Assembly.Name 'S100A dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Comment of annotator. The chemical shifts have been seperated into three tables. The first table contains the shifts reported for the major species or those residues labelled with an a by the author. The second contains a minor species whose residues have been labelled with a b by the author and the MET residue found. This should not imply that the b-labelled residues have the specific shift because of the MET residues' presence. The last contains another minor species whose residues have been labelled with a c by the author. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4285 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 'S100A subunit 1' 1 $S100A . . . native . . 1 . . 4285 1 2 'S100A subunit 2' 1 $S100A . . . native . . 1 . . 4285 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID S100A abbreviation 4285 1 'S100A dimer' system 4285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A _Entity.Sf_category entity _Entity.Sf_framecode S100A _Entity.Entry_ID 4285 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A _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 ; MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKDLLQT ELSSFLDVQKDADAVDKIMK ELDENGDGEVDFQEFVVLVA ALTVACNNFFWENS ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15296 . S100A1-RyR . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 4285 1 2 no BMRB 16050 . S100A1 . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 4285 1 3 no PDB 1K2H . "Three-Dimensional Solution Structure Of Apo-S100a1." . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 4285 1 4 no PDB 1ZFS . "Solution Structure Of S100a1 Bound To Calcium" . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 4285 1 5 no PDB 2K2F . "Solution Structure Of Ca2+-S100a1-Ryrp12" . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 4285 1 6 no PDB 2KBM . "Ca-S100a1 Interacting With Trtk12" . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 4285 1 7 no GB AAB20539 . "S100 alpha, partial [Rattus sp.]" . . . . . 89.36 84 97.62 100.00 9.65e-51 . . . . 4285 1 8 no GB AAB53657 . "S100A1 protein [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 4285 1 9 no GB EDM00555 . "rCG62688, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 4285 1 10 no REF NP_001007637 . "protein S100-A1 [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 4285 1 11 no REF XP_006232665 . "PREDICTED: protein S100-A1 isoform X1 [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 4285 1 12 no SP P35467 . "RecName: Full=Protein S100-A1; AltName: Full=S-100 protein alpha chain; AltName: Full=S-100 protein subunit alpha; AltName: Ful" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 4285 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S100A abbreviation 4285 1 S100A common 4285 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 . 4285 1 2 . GLY . 4285 1 3 . SER . 4285 1 4 . GLU . 4285 1 5 . LEU . 4285 1 6 . GLU . 4285 1 7 . THR . 4285 1 8 . ALA . 4285 1 9 . MET . 4285 1 10 . GLU . 4285 1 11 . THR . 4285 1 12 . LEU . 4285 1 13 . ILE . 4285 1 14 . ASN . 4285 1 15 . VAL . 4285 1 16 . PHE . 4285 1 17 . HIS . 4285 1 18 . ALA . 4285 1 19 . HIS . 4285 1 20 . SER . 4285 1 21 . GLY . 4285 1 22 . LYS . 4285 1 23 . GLU . 4285 1 24 . GLY . 4285 1 25 . ASP . 4285 1 26 . LYS . 4285 1 27 . TYR . 4285 1 28 . LYS . 4285 1 29 . LEU . 4285 1 30 . SER . 4285 1 31 . LYS . 4285 1 32 . LYS . 4285 1 33 . GLU . 4285 1 34 . LEU . 4285 1 35 . LYS . 4285 1 36 . ASP . 4285 1 37 . LEU . 4285 1 38 . LEU . 4285 1 39 . GLN . 4285 1 40 . THR . 4285 1 41 . GLU . 4285 1 42 . LEU . 4285 1 43 . SER . 4285 1 44 . SER . 4285 1 45 . PHE . 4285 1 46 . LEU . 4285 1 47 . ASP . 4285 1 48 . VAL . 4285 1 49 . GLN . 4285 1 50 . LYS . 4285 1 51 . ASP . 4285 1 52 . ALA . 4285 1 53 . ASP . 4285 1 54 . ALA . 4285 1 55 . VAL . 4285 1 56 . ASP . 4285 1 57 . LYS . 4285 1 58 . ILE . 4285 1 59 . MET . 4285 1 60 . LYS . 4285 1 61 . GLU . 4285 1 62 . LEU . 4285 1 63 . ASP . 4285 1 64 . GLU . 4285 1 65 . ASN . 4285 1 66 . GLY . 4285 1 67 . ASP . 4285 1 68 . GLY . 4285 1 69 . GLU . 4285 1 70 . VAL . 4285 1 71 . ASP . 4285 1 72 . PHE . 4285 1 73 . GLN . 4285 1 74 . GLU . 4285 1 75 . PHE . 4285 1 76 . VAL . 4285 1 77 . VAL . 4285 1 78 . LEU . 4285 1 79 . VAL . 4285 1 80 . ALA . 4285 1 81 . ALA . 4285 1 82 . LEU . 4285 1 83 . THR . 4285 1 84 . VAL . 4285 1 85 . ALA . 4285 1 86 . CYS . 4285 1 87 . ASN . 4285 1 88 . ASN . 4285 1 89 . PHE . 4285 1 90 . PHE . 4285 1 91 . TRP . 4285 1 92 . GLU . 4285 1 93 . ASN . 4285 1 94 . SER . 4285 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 4285 1 . GLY 2 2 4285 1 . SER 3 3 4285 1 . GLU 4 4 4285 1 . LEU 5 5 4285 1 . GLU 6 6 4285 1 . THR 7 7 4285 1 . ALA 8 8 4285 1 . MET 9 9 4285 1 . GLU 10 10 4285 1 . THR 11 11 4285 1 . LEU 12 12 4285 1 . ILE 13 13 4285 1 . ASN 14 14 4285 1 . VAL 15 15 4285 1 . PHE 16 16 4285 1 . HIS 17 17 4285 1 . ALA 18 18 4285 1 . HIS 19 19 4285 1 . SER 20 20 4285 1 . GLY 21 21 4285 1 . LYS 22 22 4285 1 . GLU 23 23 4285 1 . GLY 24 24 4285 1 . ASP 25 25 4285 1 . LYS 26 26 4285 1 . TYR 27 27 4285 1 . LYS 28 28 4285 1 . LEU 29 29 4285 1 . SER 30 30 4285 1 . LYS 31 31 4285 1 . LYS 32 32 4285 1 . GLU 33 33 4285 1 . LEU 34 34 4285 1 . LYS 35 35 4285 1 . ASP 36 36 4285 1 . LEU 37 37 4285 1 . LEU 38 38 4285 1 . GLN 39 39 4285 1 . THR 40 40 4285 1 . GLU 41 41 4285 1 . LEU 42 42 4285 1 . SER 43 43 4285 1 . SER 44 44 4285 1 . PHE 45 45 4285 1 . LEU 46 46 4285 1 . ASP 47 47 4285 1 . VAL 48 48 4285 1 . GLN 49 49 4285 1 . LYS 50 50 4285 1 . ASP 51 51 4285 1 . ALA 52 52 4285 1 . ASP 53 53 4285 1 . ALA 54 54 4285 1 . VAL 55 55 4285 1 . ASP 56 56 4285 1 . LYS 57 57 4285 1 . ILE 58 58 4285 1 . MET 59 59 4285 1 . LYS 60 60 4285 1 . GLU 61 61 4285 1 . LEU 62 62 4285 1 . ASP 63 63 4285 1 . GLU 64 64 4285 1 . ASN 65 65 4285 1 . GLY 66 66 4285 1 . ASP 67 67 4285 1 . GLY 68 68 4285 1 . GLU 69 69 4285 1 . VAL 70 70 4285 1 . ASP 71 71 4285 1 . PHE 72 72 4285 1 . GLN 73 73 4285 1 . GLU 74 74 4285 1 . PHE 75 75 4285 1 . VAL 76 76 4285 1 . VAL 77 77 4285 1 . LEU 78 78 4285 1 . VAL 79 79 4285 1 . ALA 80 80 4285 1 . ALA 81 81 4285 1 . LEU 82 82 4285 1 . THR 83 83 4285 1 . VAL 84 84 4285 1 . ALA 85 85 4285 1 . CYS 86 86 4285 1 . ASN 87 87 4285 1 . ASN 88 88 4285 1 . PHE 89 89 4285 1 . PHE 90 90 4285 1 . TRP 91 91 4285 1 . GLU 92 92 4285 1 . ASN 93 93 4285 1 . SER 94 94 4285 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 4285 _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 $S100A . 10116 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4285 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 4285 _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 $S100A . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4285 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4285 _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 S100A '[U-99% 15N]' . . 1 $S100A . . 1.8 . . mM . . . . 4285 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4285 _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 S100A '[U-98% 13C; U-99% 15N]' . . 1 $S100A . . 2.0 . . mM . . . . 4285 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4285 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 4285 1 temperature 310 0.05 K 4285 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4285 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4285 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4285 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 4285 _Experiment_list.ID 1 _Experiment_list.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 4285 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4285 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4285 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4285 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_major _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_major _Assigned_chem_shift_list.Entry_ID 4285 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 $sample_one . 4285 1 . . 2 $sample_two . 4285 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.38 . . 1 . . . . . . . . 4285 1 2 . 1 1 2 2 GLY N N 15 111.50 . . 1 . . . . . . . . 4285 1 3 . 1 1 2 2 GLY HA2 H 1 4.16 . . 1 . . . . . . . . 4285 1 4 . 1 1 2 2 GLY HA3 H 1 4.03 . . 1 . . . . . . . . 4285 1 5 . 1 1 2 2 GLY CA C 13 45.06 . . 1 . . . . . . . . 4285 1 6 . 1 1 3 3 SER H H 1 8.95 . . 1 . . . . . . . . 4285 1 7 . 1 1 3 3 SER N N 15 118.92 . . 1 . . . . . . . . 4285 1 8 . 1 1 3 3 SER HA H 1 4.66 . . 1 . . . . . . . . 4285 1 9 . 1 1 3 3 SER CA C 13 57.25 . . 1 . . . . . . . . 4285 1 10 . 1 1 3 3 SER HB2 H 1 4.55 . . 1 . . . . . . . . 4285 1 11 . 1 1 3 3 SER HB3 H 1 4.15 . . 1 . . . . . . . . 4285 1 12 . 1 1 3 3 SER CB C 13 65.38 . . 1 . . . . . . . . 4285 1 13 . 1 1 4 4 GLU H H 1 9.11 . . 1 . . . . . . . . 4285 1 14 . 1 1 4 4 GLU N N 15 123.94 . . 1 . . . . . . . . 4285 1 15 . 1 1 4 4 GLU HA H 1 4.17 . . 1 . . . . . . . . 4285 1 16 . 1 1 4 4 GLU CA C 13 60.69 . . 1 . . . . . . . . 4285 1 17 . 1 1 4 4 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 4285 1 18 . 1 1 4 4 GLU HB3 H 1 1.69 . . 1 . . . . . . . . 4285 1 19 . 1 1 4 4 GLU CB C 13 29.12 . . 1 . . . . . . . . 4285 1 20 . 1 1 4 4 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4285 1 21 . 1 1 4 4 GLU HG3 H 1 2.31 . . 1 . . . . . . . . 4285 1 22 . 1 1 4 4 GLU CG C 13 37.37 . . 1 . . . . . . . . 4285 1 23 . 1 1 5 5 LEU H H 1 8.65 . . 1 . . . . . . . . 4285 1 24 . 1 1 5 5 LEU N N 15 120.72 . . 1 . . . . . . . . 4285 1 25 . 1 1 5 5 LEU HA H 1 4.01 . . 1 . . . . . . . . 4285 1 26 . 1 1 5 5 LEU CA C 13 58.19 . . 1 . . . . . . . . 4285 1 27 . 1 1 5 5 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 4285 1 28 . 1 1 5 5 LEU HB3 H 1 1.69 . . 1 . . . . . . . . 4285 1 29 . 1 1 5 5 LEU CB C 13 42.25 . . 1 . . . . . . . . 4285 1 30 . 1 1 5 5 LEU HG H 1 0.8 . . 1 . . . . . . . . 4285 1 31 . 1 1 5 5 LEU CG C 13 25.44 . . 1 . . . . . . . . 4285 1 32 . 1 1 5 5 LEU HD11 H 1 1.43 . . 1 . . . . . . . . 4285 1 33 . 1 1 5 5 LEU HD12 H 1 1.43 . . 1 . . . . . . . . 4285 1 34 . 1 1 5 5 LEU HD13 H 1 1.43 . . 1 . . . . . . . . 4285 1 35 . 1 1 5 5 LEU HD21 H 1 1.01 . . 1 . . . . . . . . 4285 1 36 . 1 1 5 5 LEU HD22 H 1 1.01 . . 1 . . . . . . . . 4285 1 37 . 1 1 5 5 LEU HD23 H 1 1.01 . . 1 . . . . . . . . 4285 1 38 . 1 1 5 5 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4285 1 39 . 1 1 5 5 LEU CD2 C 13 24.25 . . 1 . . . . . . . . 4285 1 40 . 1 1 6 6 GLU H H 1 7.85 . . 1 . . . . . . . . 4285 1 41 . 1 1 6 6 GLU N N 15 118.93 . . 1 . . . . . . . . 4285 1 42 . 1 1 6 6 GLU HA H 1 3.35 . . 1 . . . . . . . . 4285 1 43 . 1 1 6 6 GLU CA C 13 59.75 . . 1 . . . . . . . . 4285 1 44 . 1 1 6 6 GLU HB2 H 1 1.68 . . 1 . . . . . . . . 4285 1 45 . 1 1 6 6 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4285 1 46 . 1 1 6 6 GLU CB C 13 29.12 . . 1 . . . . . . . . 4285 1 47 . 1 1 6 6 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4285 1 48 . 1 1 6 6 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 4285 1 49 . 1 1 6 6 GLU CG C 13 37.37 . . 1 . . . . . . . . 4285 1 50 . 1 1 7 7 THR H H 1 8.43 . . 1 . . . . . . . . 4285 1 51 . 1 1 7 7 THR N N 15 115.97 . . 1 . . . . . . . . 4285 1 52 . 1 1 7 7 THR HA H 1 4.06 . . 1 . . . . . . . . 4285 1 53 . 1 1 7 7 THR CA C 13 66.94 . . 1 . . . . . . . . 4285 1 54 . 1 1 7 7 THR HB H 1 4.38 . . 1 . . . . . . . . 4285 1 55 . 1 1 7 7 THR CB C 13 69.13 . . 1 . . . . . . . . 4285 1 56 . 1 1 7 7 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4285 1 57 . 1 1 7 7 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4285 1 58 . 1 1 7 7 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4285 1 59 . 1 1 7 7 THR CG2 C 13 21.75 . . 1 . . . . . . . . 4285 1 60 . 1 1 8 8 ALA H H 1 8.37 . . 1 . . . . . . . . 4285 1 61 . 1 1 8 8 ALA N N 15 126.74 . . 1 . . . . . . . . 4285 1 62 . 1 1 8 8 ALA HA H 1 4.32 . . 1 . . . . . . . . 4285 1 63 . 1 1 8 8 ALA CA C 13 56 . . 1 . . . . . . . . 4285 1 64 . 1 1 8 8 ALA HB1 H 1 1.7 . . 1 . . . . . . . . 4285 1 65 . 1 1 8 8 ALA HB2 H 1 1.7 . . 1 . . . . . . . . 4285 1 66 . 1 1 8 8 ALA HB3 H 1 1.7 . . 1 . . . . . . . . 4285 1 67 . 1 1 8 8 ALA CB C 13 18.16 . . 1 . . . . . . . . 4285 1 68 . 1 1 9 9 MET H H 1 7.96 . . 1 . . . . . . . . 4285 1 69 . 1 1 9 9 MET N N 15 115.40 . . 1 . . . . . . . . 4285 1 70 . 1 1 9 9 MET HA H 1 4.88 . . 1 . . . . . . . . 4285 1 71 . 1 1 9 9 MET CA C 13 56.94 . . 1 . . . . . . . . 4285 1 72 . 1 1 9 9 MET HB2 H 1 2.25 . . 1 . . . . . . . . 4285 1 73 . 1 1 9 9 MET HB3 H 1 2.49 . . 1 . . . . . . . . 4285 1 74 . 1 1 9 9 MET CB C 13 29.12 . . 1 . . . . . . . . 4285 1 75 . 1 1 9 9 MET HG2 H 1 2.75 . . 1 . . . . . . . . 4285 1 76 . 1 1 9 9 MET HG3 H 1 2.75 . . 1 . . . . . . . . 4285 1 77 . 1 1 9 9 MET CG C 13 31.12 . . 1 . . . . . . . . 4285 1 78 . 1 1 10 10 GLU H H 1 8.77 . . 1 . . . . . . . . 4285 1 79 . 1 1 10 10 GLU N N 15 120.72 . . 1 . . . . . . . . 4285 1 80 . 1 1 10 10 GLU HA H 1 4.01 . . 1 . . . . . . . . 4285 1 81 . 1 1 10 10 GLU CA C 13 60.06 . . 1 . . . . . . . . 4285 1 82 . 1 1 10 10 GLU HB2 H 1 2.20 . . 1 . . . . . . . . 4285 1 83 . 1 1 10 10 GLU HB3 H 1 2.42 . . 1 . . . . . . . . 4285 1 84 . 1 1 10 10 GLU CB C 13 29.12 . . 1 . . . . . . . . 4285 1 85 . 1 1 10 10 GLU HG2 H 1 2.36 . . 1 . . . . . . . . 4285 1 86 . 1 1 10 10 GLU HG3 H 1 2.69 . . 1 . . . . . . . . 4285 1 87 . 1 1 10 10 GLU CG C 13 36.75 . . 1 . . . . . . . . 4285 1 88 . 1 1 11 11 THR H H 1 8.44 . . 1 . . . . . . . . 4285 1 89 . 1 1 11 11 THR N N 15 118.69 . . 1 . . . . . . . . 4285 1 90 . 1 1 11 11 THR HA H 1 4.11 . . 1 . . . . . . . . 4285 1 91 . 1 1 11 11 THR CA C 13 67.56 . . 1 . . . . . . . . 4285 1 92 . 1 1 11 11 THR HB H 1 4.66 . . 1 . . . . . . . . 4285 1 93 . 1 1 11 11 THR CB C 13 69.13 . . 1 . . . . . . . . 4285 1 94 . 1 1 11 11 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4285 1 95 . 1 1 11 11 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4285 1 96 . 1 1 11 11 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4285 1 97 . 1 1 11 11 THR CG2 C 13 22.37 . . 1 . . . . . . . . 4285 1 98 . 1 1 12 12 LEU H H 1 8.2 . . 1 . . . . . . . . 4285 1 99 . 1 1 12 12 LEU N N 15 122.36 . . 1 . . . . . . . . 4285 1 100 . 1 1 12 12 LEU HA H 1 4.11 . . 1 . . . . . . . . 4285 1 101 . 1 1 12 12 LEU CA C 13 60.06 . . 1 . . . . . . . . 4285 1 102 . 1 1 12 12 LEU HB2 H 1 2.58 . . 2 . . . . . . . . 4285 1 103 . 1 1 12 12 LEU CB C 13 42.25 . . 1 . . . . . . . . 4285 1 104 . 1 1 12 12 LEU HG H 1 2.02 . . 1 . . . . . . . . 4285 1 105 . 1 1 12 12 LEU CG C 13 28 . . 1 . . . . . . . . 4285 1 106 . 1 1 12 12 LEU HD11 H 1 0.96 . . 1 . . . . . . . . 4285 1 107 . 1 1 12 12 LEU HD12 H 1 0.96 . . 1 . . . . . . . . 4285 1 108 . 1 1 12 12 LEU HD13 H 1 0.96 . . 1 . . . . . . . . 4285 1 109 . 1 1 12 12 LEU HD21 H 1 0.84 . . 1 . . . . . . . . 4285 1 110 . 1 1 12 12 LEU HD22 H 1 0.84 . . 1 . . . . . . . . 4285 1 111 . 1 1 12 12 LEU HD23 H 1 0.84 . . 1 . . . . . . . . 4285 1 112 . 1 1 12 12 LEU CD1 C 13 25.81 . . 1 . . . . . . . . 4285 1 113 . 1 1 12 12 LEU CD2 C 13 24.87 . . 1 . . . . . . . . 4285 1 114 . 1 1 13 13 ILE H H 1 8.31 . . 1 . . . . . . . . 4285 1 115 . 1 1 13 13 ILE N N 15 120.25 . . 1 . . . . . . . . 4285 1 116 . 1 1 13 13 ILE HA H 1 3.4 . . 1 . . . . . . . . 4285 1 117 . 1 1 13 13 ILE CA C 13 65.73 . . 1 . . . . . . . . 4285 1 118 . 1 1 13 13 ILE HB H 1 1.81 . . 1 . . . . . . . . 4285 1 119 . 1 1 13 13 ILE CB C 13 38.31 . . 1 . . . . . . . . 4285 1 120 . 1 1 13 13 ILE HG12 H 1 1.16 . . 1 . . . . . . . . 4285 1 121 . 1 1 13 13 ILE HG13 H 1 0.01 . . 1 . . . . . . . . 4285 1 122 . 1 1 13 13 ILE CG1 C 13 22.3 . . 1 . . . . . . . . 4285 1 123 . 1 1 13 13 ILE CG2 C 13 16.8 . . 1 . . . . . . . . 4285 1 124 . 1 1 13 13 ILE CD1 C 13 14.41 . . 1 . . . . . . . . 4285 1 125 . 1 1 14 14 ASN H H 1 8.25 . . 1 . . . . . . . . 4285 1 126 . 1 1 14 14 ASN N N 15 119.77 . . 1 . . . . . . . . 4285 1 127 . 1 1 14 14 ASN HA H 1 4.07 . . 1 . . . . . . . . 4285 1 128 . 1 1 14 14 ASN CA C 13 56.35 . . 1 . . . . . . . . 4285 1 129 . 1 1 14 14 ASN HB2 H 1 3.07 . . 1 . . . . . . . . 4285 1 130 . 1 1 14 14 ASN HB3 H 1 2.90 . . 1 . . . . . . . . 4285 1 131 . 1 1 14 14 ASN CB C 13 38.38 . . 1 . . . . . . . . 4285 1 132 . 1 1 14 14 ASN HD21 H 1 6.88 . . 1 . . . . . . . . 4285 1 133 . 1 1 14 14 ASN HD22 H 1 7.70 . . 1 . . . . . . . . 4285 1 134 . 1 1 14 14 ASN ND2 N 15 113.13 . . 1 . . . . . . . . 4285 1 135 . 1 1 15 15 VAL H H 1 8.89 . . 1 . . . . . . . . 4285 1 136 . 1 1 15 15 VAL N N 15 122.94 . . 1 . . . . . . . . 4285 1 137 . 1 1 15 15 VAL HA H 1 3.89 . . 1 . . . . . . . . 4285 1 138 . 1 1 15 15 VAL CA C 13 66.63 . . 1 . . . . . . . . 4285 1 139 . 1 1 15 15 VAL HB H 1 2.31 . . 1 . . . . . . . . 4285 1 140 . 1 1 15 15 VAL CB C 13 32.25 . . 1 . . . . . . . . 4285 1 141 . 1 1 15 15 VAL HG11 H 1 1.21 . . 1 . . . . . . . . 4285 1 142 . 1 1 15 15 VAL HG12 H 1 1.21 . . 1 . . . . . . . . 4285 1 143 . 1 1 15 15 VAL HG13 H 1 1.21 . . 1 . . . . . . . . 4285 1 144 . 1 1 15 15 VAL HG21 H 1 1.03 . . 1 . . . . . . . . 4285 1 145 . 1 1 15 15 VAL HG22 H 1 1.03 . . 1 . . . . . . . . 4285 1 146 . 1 1 15 15 VAL HG23 H 1 1.03 . . 1 . . . . . . . . 4285 1 147 . 1 1 15 15 VAL CG1 C 13 22.69 . . 1 . . . . . . . . 4285 1 148 . 1 1 15 15 VAL CG2 C 13 21.75 . . 1 . . . . . . . . 4285 1 149 . 1 1 16 16 PHE H H 1 8.28 . . 1 . . . . . . . . 4285 1 150 . 1 1 16 16 PHE N N 15 120.35 . . 1 . . . . . . . . 4285 1 151 . 1 1 16 16 PHE HA H 1 3.48 . . 1 . . . . . . . . 4285 1 152 . 1 1 16 16 PHE CA C 13 62.56 . . 1 . . . . . . . . 4285 1 153 . 1 1 16 16 PHE HB2 H 1 2.89 . . 1 . . . . . . . . 4285 1 154 . 1 1 16 16 PHE HB3 H 1 3.29 . . 1 . . . . . . . . 4285 1 155 . 1 1 16 16 PHE CB C 13 39.75 . . 1 . . . . . . . . 4285 1 156 . 1 1 16 16 PHE HD2 H 1 7.36 . . 1 . . . . . . . . 4285 1 157 . 1 1 16 16 PHE CD2 C 13 130.7 . . 1 . . . . . . . . 4285 1 158 . 1 1 16 16 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 4285 1 159 . 1 1 16 16 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 4285 1 160 . 1 1 16 16 PHE HZ H 1 6.48 . . 1 . . . . . . . . 4285 1 161 . 1 1 16 16 PHE CZ C 13 126.9 . . 1 . . . . . . . . 4285 1 162 . 1 1 17 17 HIS H H 1 9.26 . . 1 . . . . . . . . 4285 1 163 . 1 1 17 17 HIS N N 15 118.85 . . 1 . . . . . . . . 4285 1 164 . 1 1 17 17 HIS HA H 1 5.03 . . 1 . . . . . . . . 4285 1 165 . 1 1 17 17 HIS CA C 13 55.69 . . 1 . . . . . . . . 4285 1 166 . 1 1 17 17 HIS HB2 H 1 3.07 . . 1 . . . . . . . . 4285 1 167 . 1 1 17 17 HIS HB3 H 1 2.8 . . 1 . . . . . . . . 4285 1 168 . 1 1 17 17 HIS CB C 13 29.12 . . 1 . . . . . . . . 4285 1 169 . 1 1 18 18 ALA H H 1 8.09 . . 1 . . . . . . . . 4285 1 170 . 1 1 18 18 ALA N N 15 121.75 . . 1 . . . . . . . . 4285 1 171 . 1 1 18 18 ALA HA H 1 3.82 . . 1 . . . . . . . . 4285 1 172 . 1 1 18 18 ALA CA C 13 54.44 . . 1 . . . . . . . . 4285 1 173 . 1 1 18 18 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4285 1 174 . 1 1 18 18 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4285 1 175 . 1 1 18 18 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4285 1 176 . 1 1 18 18 ALA CB C 13 17.87 . . 1 . . . . . . . . 4285 1 177 . 1 1 19 19 HIS H H 1 7.31 . . 1 . . . . . . . . 4285 1 178 . 1 1 19 19 HIS N N 15 112.93 . . 1 . . . . . . . . 4285 1 179 . 1 1 19 19 HIS HA H 1 4.44 . . 1 . . . . . . . . 4285 1 180 . 1 1 19 19 HIS CA C 13 56.63 . . 1 . . . . . . . . 4285 1 181 . 1 1 19 19 HIS HB2 H 1 3.18 . . 1 . . . . . . . . 4285 1 182 . 1 1 19 19 HIS HB3 H 1 2.69 . . 1 . . . . . . . . 4285 1 183 . 1 1 19 19 HIS CB C 13 31.28 . . 1 . . . . . . . . 4285 1 184 . 1 1 20 20 SER HA H 1 4.15 . . 1 . . . . . . . . 4285 1 185 . 1 1 20 20 SER CA C 13 60.38 . . 1 . . . . . . . . 4285 1 186 . 1 1 20 20 SER HB2 H 1 3.62 . . 1 . . . . . . . . 4285 1 187 . 1 1 20 20 SER HB3 H 1 2.56 . . 1 . . . . . . . . 4285 1 188 . 1 1 20 20 SER CB C 13 62.25 . . 1 . . . . . . . . 4285 1 189 . 1 1 21 21 GLY H H 1 8.12 . . 1 . . . . . . . . 4285 1 190 . 1 1 21 21 GLY N N 15 107.03 . . 1 . . . . . . . . 4285 1 191 . 1 1 21 21 GLY HA2 H 1 3.84 . . 1 . . . . . . . . 4285 1 192 . 1 1 21 21 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 4285 1 193 . 1 1 21 21 GLY CA C 13 45.37 . . 1 . . . . . . . . 4285 1 194 . 1 1 22 22 LYS H H 1 7.41 . . 1 . . . . . . . . 4285 1 195 . 1 1 22 22 LYS N N 15 120.31 . . 1 . . . . . . . . 4285 1 196 . 1 1 22 22 LYS HA H 1 4.06 . . 1 . . . . . . . . 4285 1 197 . 1 1 22 22 LYS CA C 13 58.5 . . 1 . . . . . . . . 4285 1 198 . 1 1 22 22 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4285 1 199 . 1 1 22 22 LYS CB C 13 32.87 . . 1 . . . . . . . . 4285 1 200 . 1 1 22 22 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4285 1 201 . 1 1 22 22 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4285 1 202 . 1 1 22 22 LYS CG C 13 25.5 . . 1 . . . . . . . . 4285 1 203 . 1 1 22 22 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 4285 1 204 . 1 1 22 22 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 4285 1 205 . 1 1 22 22 LYS CD C 13 29.87 . . 1 . . . . . . . . 4285 1 206 . 1 1 22 22 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 4285 1 207 . 1 1 22 22 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 4285 1 208 . 1 1 22 22 LYS CE C 13 42.05 . . 1 . . . . . . . . 4285 1 209 . 1 1 23 23 GLU H H 1 7.75 . . 1 . . . . . . . . 4285 1 210 . 1 1 23 23 GLU N N 15 117.45 . . 1 . . . . . . . . 4285 1 211 . 1 1 23 23 GLU HA H 1 4.44 . . 1 . . . . . . . . 4285 1 212 . 1 1 23 23 GLU CA C 13 55.37 . . 1 . . . . . . . . 4285 1 213 . 1 1 23 23 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4285 1 214 . 1 1 23 23 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 4285 1 215 . 1 1 23 23 GLU CB C 13 31 . . 1 . . . . . . . . 4285 1 216 . 1 1 23 23 GLU HG2 H 1 2.2 . . 1 . . . . . . . . 4285 1 217 . 1 1 23 23 GLU HG3 H 1 2.2 . . 1 . . . . . . . . 4285 1 218 . 1 1 23 23 GLU CG C 13 35.81 . . 1 . . . . . . . . 4285 1 219 . 1 1 24 24 GLY H H 1 8.19 . . 1 . . . . . . . . 4285 1 220 . 1 1 24 24 GLY N N 15 108.97 . . 1 . . . . . . . . 4285 1 221 . 1 1 24 24 GLY HA2 H 1 4.06 . . 1 . . . . . . . . 4285 1 222 . 1 1 24 24 GLY HA3 H 1 3.73 . . 1 . . . . . . . . 4285 1 223 . 1 1 24 24 GLY CA C 13 46 . . 1 . . . . . . . . 4285 1 224 . 1 1 25 25 ASP H H 1 8.29 . . 1 . . . . . . . . 4285 1 225 . 1 1 25 25 ASP N N 15 124.55 . . 1 . . . . . . . . 4285 1 226 . 1 1 25 25 ASP HA H 1 4.66 . . 1 . . . . . . . . 4285 1 227 . 1 1 25 25 ASP CA C 13 53.81 . . 1 . . . . . . . . 4285 1 228 . 1 1 25 25 ASP HB2 H 1 2.8 . . 1 . . . . . . . . 4285 1 229 . 1 1 25 25 ASP HB3 H 1 2.58 . . 1 . . . . . . . . 4285 1 230 . 1 1 25 25 ASP CB C 13 42.25 . . 1 . . . . . . . . 4285 1 231 . 1 1 26 26 LYS H H 1 8.37 . . 1 . . . . . . . . 4285 1 232 . 1 1 26 26 LYS N N 15 126.11 . . 1 . . . . . . . . 4285 1 233 . 1 1 26 26 LYS HA H 1 4.11 . . 1 . . . . . . . . 4285 1 234 . 1 1 26 26 LYS CA C 13 57.56 . . 1 . . . . . . . . 4285 1 235 . 1 1 26 26 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 4285 1 236 . 1 1 26 26 LYS CB C 13 32.25 . . 1 . . . . . . . . 4285 1 237 . 1 1 26 26 LYS HG2 H 1 1.29 . . 1 . . . . . . . . 4285 1 238 . 1 1 26 26 LYS HG3 H 1 1.29 . . 1 . . . . . . . . 4285 1 239 . 1 1 26 26 LYS CG C 13 22.69 . . 1 . . . . . . . . 4285 1 240 . 1 1 26 26 LYS HD2 H 1 2.09 . . 1 . . . . . . . . 4285 1 241 . 1 1 26 26 LYS HD3 H 1 2.35 . . 1 . . . . . . . . 4285 1 242 . 1 1 26 26 LYS CD C 13 29.87 . . 1 . . . . . . . . 4285 1 243 . 1 1 26 26 LYS HE2 H 1 2.75 . . 1 . . . . . . . . 4285 1 244 . 1 1 26 26 LYS HE3 H 1 2.75 . . 1 . . . . . . . . 4285 1 245 . 1 1 26 26 LYS CE C 13 42.06 . . 1 . . . . . . . . 4285 1 246 . 1 1 27 27 TYR H H 1 8.56 . . 1 . . . . . . . . 4285 1 247 . 1 1 27 27 TYR N N 15 118.35 . . 1 . . . . . . . . 4285 1 248 . 1 1 27 27 TYR HA H 1 5.1 . . 1 . . . . . . . . 4285 1 249 . 1 1 27 27 TYR CA C 13 57.56 . . 1 . . . . . . . . 4285 1 250 . 1 1 27 27 TYR HB2 H 1 3.62 . . 1 . . . . . . . . 4285 1 251 . 1 1 27 27 TYR HB3 H 1 2 . . 1 . . . . . . . . 4285 1 252 . 1 1 27 27 TYR CB C 13 38.19 . . 1 . . . . . . . . 4285 1 253 . 1 1 27 27 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 4285 1 254 . 1 1 27 27 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 4285 1 255 . 1 1 27 27 TYR CD1 C 13 135 . . 1 . . . . . . . . 4285 1 256 . 1 1 27 27 TYR CD2 C 13 135 . . 1 . . . . . . . . 4285 1 257 . 1 1 27 27 TYR HE1 H 1 6.07 . . 1 . . . . . . . . 4285 1 258 . 1 1 27 27 TYR HE2 H 1 6.07 . . 1 . . . . . . . . 4285 1 259 . 1 1 28 28 LYS H H 1 7.8 . . 1 . . . . . . . . 4285 1 260 . 1 1 28 28 LYS N N 15 118.55 . . 1 . . . . . . . . 4285 1 261 . 1 1 28 28 LYS HA H 1 5.42 . . 1 . . . . . . . . 4285 1 262 . 1 1 28 28 LYS CA C 13 54.12 . . 1 . . . . . . . . 4285 1 263 . 1 1 28 28 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 4285 1 264 . 1 1 28 28 LYS HB3 H 1 1.63 . . 1 . . . . . . . . 4285 1 265 . 1 1 28 28 LYS CB C 13 38.5 . . 1 . . . . . . . . 4285 1 266 . 1 1 28 28 LYS HG2 H 1 1.27 . . 1 . . . . . . . . 4285 1 267 . 1 1 28 28 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4285 1 268 . 1 1 28 28 LYS CG C 13 24.87 . . 1 . . . . . . . . 4285 1 269 . 1 1 28 28 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4285 1 270 . 1 1 28 28 LYS HD3 H 1 1.54 . . 1 . . . . . . . . 4285 1 271 . 1 1 28 28 LYS CD C 13 29.25 . . 1 . . . . . . . . 4285 1 272 . 1 1 28 28 LYS HE2 H 1 2.75 . . 1 . . . . . . . . 4285 1 273 . 1 1 28 28 LYS HE3 H 1 2.75 . . 1 . . . . . . . . 4285 1 274 . 1 1 28 28 LYS CE C 13 42.69 . . 1 . . . . . . . . 4285 1 275 . 1 1 29 29 LEU H H 1 8.89 . . 1 . . . . . . . . 4285 1 276 . 1 1 29 29 LEU N N 15 122.76 . . 1 . . . . . . . . 4285 1 277 . 1 1 29 29 LEU HA H 1 4.77 . . 1 . . . . . . . . 4285 1 278 . 1 1 29 29 LEU CA C 13 53.19 . . 1 . . . . . . . . 4285 1 279 . 1 1 29 29 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 4285 1 280 . 1 1 29 29 LEU HB3 H 1 0.94 . . 1 . . . . . . . . 4285 1 281 . 1 1 29 29 LEU CB C 13 46 . . 1 . . . . . . . . 4285 1 282 . 1 1 29 29 LEU HG H 1 1.63 . . 1 . . . . . . . . 4285 1 283 . 1 1 29 29 LEU CG C 13 26.8 . . 1 . . . . . . . . 4285 1 284 . 1 1 29 29 LEU HD11 H 1 0.56 . . 1 . . . . . . . . 4285 1 285 . 1 1 29 29 LEU HD12 H 1 0.56 . . 1 . . . . . . . . 4285 1 286 . 1 1 29 29 LEU HD13 H 1 0.56 . . 1 . . . . . . . . 4285 1 287 . 1 1 29 29 LEU HD21 H 1 0.61 . . 1 . . . . . . . . 4285 1 288 . 1 1 29 29 LEU HD22 H 1 0.61 . . 1 . . . . . . . . 4285 1 289 . 1 1 29 29 LEU HD23 H 1 0.61 . . 1 . . . . . . . . 4285 1 290 . 1 1 29 29 LEU CD1 C 13 27.06 . . 1 . . . . . . . . 4285 1 291 . 1 1 29 29 LEU CD2 C 13 26.12 . . 1 . . . . . . . . 4285 1 292 . 1 1 30 30 SER H H 1 8.81 . . 1 . . . . . . . . 4285 1 293 . 1 1 30 30 SER N N 15 121.80 . . 1 . . . . . . . . 4285 1 294 . 1 1 30 30 SER HA H 1 4.99 . . 1 . . . . . . . . 4285 1 295 . 1 1 30 30 SER CA C 13 58.19 . . 1 . . . . . . . . 4285 1 296 . 1 1 30 30 SER HB2 H 1 4.49 . . 1 . . . . . . . . 4285 1 297 . 1 1 30 30 SER HB3 H 1 4.11 . . 1 . . . . . . . . 4285 1 298 . 1 1 30 30 SER CB C 13 64.75 . . 1 . . . . . . . . 4285 1 299 . 1 1 31 31 LYS H H 1 8.81 . . 1 . . . . . . . . 4285 1 300 . 1 1 31 31 LYS N N 15 125.53 . . 1 . . . . . . . . 4285 1 301 . 1 1 31 31 LYS HA H 1 3.95 . . 1 . . . . . . . . 4285 1 302 . 1 1 31 31 LYS CA C 13 61.63 . . 1 . . . . . . . . 4285 1 303 . 1 1 31 31 LYS HB2 H 1 2.16 . . 1 . . . . . . . . 4285 1 304 . 1 1 31 31 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4285 1 305 . 1 1 31 31 LYS CB C 13 31.94 . . 1 . . . . . . . . 4285 1 306 . 1 1 31 31 LYS HG2 H 1 1.89 . . 1 . . . . . . . . 4285 1 307 . 1 1 31 31 LYS HG3 H 1 1.63 . . 1 . . . . . . . . 4285 1 308 . 1 1 31 31 LYS CG C 13 29.75 . . 1 . . . . . . . . 4285 1 309 . 1 1 31 31 LYS HD2 H 1 1.36 . . 1 . . . . . . . . 4285 1 310 . 1 1 31 31 LYS HD3 H 1 1.03 . . 1 . . . . . . . . 4285 1 311 . 1 1 31 31 LYS CD C 13 30.13 . . 1 . . . . . . . . 4285 1 312 . 1 1 31 31 LYS HE2 H 1 2.69 . . 1 . . . . . . . . 4285 1 313 . 1 1 31 31 LYS HE3 H 1 2.69 . . 1 . . . . . . . . 4285 1 314 . 1 1 31 31 LYS CE C 13 42.37 . . 1 . . . . . . . . 4285 1 315 . 1 1 32 32 LYS H H 1 8.71 . . 1 . . . . . . . . 4285 1 316 . 1 1 32 32 LYS N N 15 121.04 . . 1 . . . . . . . . 4285 1 317 . 1 1 32 32 LYS HA H 1 4.17 . . 1 . . . . . . . . 4285 1 318 . 1 1 32 32 LYS CA C 13 59.44 . . 1 . . . . . . . . 4285 1 319 . 1 1 32 32 LYS HB2 H 1 1.92 . . 1 . . . . . . . . 4285 1 320 . 1 1 32 32 LYS HB3 H 1 1.69 . . 1 . . . . . . . . 4285 1 321 . 1 1 32 32 LYS CB C 13 32.56 . . 1 . . . . . . . . 4285 1 322 . 1 1 32 32 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4285 1 323 . 1 1 32 32 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4285 1 324 . 1 1 32 32 LYS CG C 13 24.56 . . 1 . . . . . . . . 4285 1 325 . 1 1 32 32 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4285 1 326 . 1 1 32 32 LYS HD3 H 1 2.02 . . 1 . . . . . . . . 4285 1 327 . 1 1 32 32 LYS CD C 13 29.56 . . 1 . . . . . . . . 4285 1 328 . 1 1 32 32 LYS HE2 H 1 2.69 . . 1 . . . . . . . . 4285 1 329 . 1 1 32 32 LYS HE3 H 1 2.69 . . 1 . . . . . . . . 4285 1 330 . 1 1 32 32 LYS CE C 13 42.37 . . 1 . . . . . . . . 4285 1 331 . 1 1 33 33 GLU H H 1 7.56 . . 1 . . . . . . . . 4285 1 332 . 1 1 33 33 GLU N N 15 121.40 . . 1 . . . . . . . . 4285 1 333 . 1 1 33 33 GLU HA H 1 4.17 . . 1 . . . . . . . . 4285 1 334 . 1 1 33 33 GLU CA C 13 58.5 . . 1 . . . . . . . . 4285 1 335 . 1 1 33 33 GLU HB2 H 1 2.09 . . 1 . . . . . . . . 4285 1 336 . 1 1 33 33 GLU HB3 H 1 2.22 . . 1 . . . . . . . . 4285 1 337 . 1 1 33 33 GLU CB C 13 29.12 . . 1 . . . . . . . . 4285 1 338 . 1 1 33 33 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4285 1 339 . 1 1 33 33 GLU HG3 H 1 2.49 . . 1 . . . . . . . . 4285 1 340 . 1 1 33 33 GLU CG C 13 36.44 . . 1 . . . . . . . . 4285 1 341 . 1 1 34 34 LEU H H 1 8.71 . . 1 . . . . . . . . 4285 1 342 . 1 1 34 34 LEU N N 15 121.73 . . 1 . . . . . . . . 4285 1 343 . 1 1 34 34 LEU HA H 1 4 . . 1 . . . . . . . . 4285 1 344 . 1 1 34 34 LEU CA C 13 57.56 . . 1 . . . . . . . . 4285 1 345 . 1 1 34 34 LEU HB2 H 1 2.31 . . 1 . . . . . . . . 4285 1 346 . 1 1 34 34 LEU HB3 H 1 1.43 . . 1 . . . . . . . . 4285 1 347 . 1 1 34 34 LEU CB C 13 41 . . 1 . . . . . . . . 4285 1 348 . 1 1 34 34 LEU HG H 1 1.09 . . 1 . . . . . . . . 4285 1 349 . 1 1 34 34 LEU CG C 13 27.69 . . 1 . . . . . . . . 4285 1 350 . 1 1 34 34 LEU HD11 H 1 0.55 . . 1 . . . . . . . . 4285 1 351 . 1 1 34 34 LEU HD12 H 1 0.55 . . 1 . . . . . . . . 4285 1 352 . 1 1 34 34 LEU HD13 H 1 0.55 . . 1 . . . . . . . . 4285 1 353 . 1 1 34 34 LEU HD21 H 1 0.88 . . 1 . . . . . . . . 4285 1 354 . 1 1 34 34 LEU HD22 H 1 0.88 . . 1 . . . . . . . . 4285 1 355 . 1 1 34 34 LEU HD23 H 1 0.88 . . 1 . . . . . . . . 4285 1 356 . 1 1 34 34 LEU CD1 C 13 27.69 . . 1 . . . . . . . . 4285 1 357 . 1 1 34 34 LEU CD2 C 13 24.56 . . 1 . . . . . . . . 4285 1 358 . 1 1 35 35 LYS H H 1 8.35 . . 1 . . . . . . . . 4285 1 359 . 1 1 35 35 LYS N N 15 121.23 . . 1 . . . . . . . . 4285 1 360 . 1 1 35 35 LYS HA H 1 3.67 . . 1 . . . . . . . . 4285 1 361 . 1 1 35 35 LYS CA C 13 61 . . 1 . . . . . . . . 4285 1 362 . 1 1 35 35 LYS HB2 H 1 2.09 . . 1 . . . . . . . . 4285 1 363 . 1 1 35 35 LYS HB3 H 1 1.82 . . 1 . . . . . . . . 4285 1 364 . 1 1 35 35 LYS CB C 13 31.62 . . 1 . . . . . . . . 4285 1 365 . 1 1 35 35 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4285 1 366 . 1 1 35 35 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4285 1 367 . 1 1 35 35 LYS CG C 13 25.19 . . 1 . . . . . . . . 4285 1 368 . 1 1 35 35 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4285 1 369 . 1 1 35 35 LYS HD3 H 1 1.77 . . 1 . . . . . . . . 4285 1 370 . 1 1 35 35 LYS CD C 13 29.87 . . 1 . . . . . . . . 4285 1 371 . 1 1 35 35 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4285 1 372 . 1 1 35 35 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4285 1 373 . 1 1 35 35 LYS CE C 13 42.37 . . 1 . . . . . . . . 4285 1 374 . 1 1 36 36 ASP H H 1 7.22 . . 1 . . . . . . . . 4285 1 375 . 1 1 36 36 ASP N N 15 118.42 . . 1 . . . . . . . . 4285 1 376 . 1 1 36 36 ASP HA H 1 4.38 . . 1 . . . . . . . . 4285 1 377 . 1 1 36 36 ASP CA C 13 57.56 . . 1 . . . . . . . . 4285 1 378 . 1 1 36 36 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4285 1 379 . 1 1 36 36 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 4285 1 380 . 1 1 36 36 ASP CB C 13 41 . . 1 . . . . . . . . 4285 1 381 . 1 1 37 37 LEU H H 1 8.28 . . 1 . . . . . . . . 4285 1 382 . 1 1 37 37 LEU N N 15 123.24 . . 1 . . . . . . . . 4285 1 383 . 1 1 37 37 LEU HA H 1 4 . . 1 . . . . . . . . 4285 1 384 . 1 1 37 37 LEU CA C 13 58.81 . . 1 . . . . . . . . 4285 1 385 . 1 1 37 37 LEU HB2 H 1 1.81 . . 1 . . . . . . . . 4285 1 386 . 1 1 37 37 LEU HB3 H 1 1.16 . . 1 . . . . . . . . 4285 1 387 . 1 1 37 37 LEU CB C 13 42.25 . . 1 . . . . . . . . 4285 1 388 . 1 1 37 37 LEU HG H 1 1.38 . . 1 . . . . . . . . 4285 1 389 . 1 1 37 37 LEU CG C 13 27.5 . . 1 . . . . . . . . 4285 1 390 . 1 1 37 37 LEU HD11 H 1 0.43 . . 1 . . . . . . . . 4285 1 391 . 1 1 37 37 LEU HD12 H 1 0.43 . . 1 . . . . . . . . 4285 1 392 . 1 1 37 37 LEU HD13 H 1 0.43 . . 1 . . . . . . . . 4285 1 393 . 1 1 37 37 LEU HD21 H 1 0.6 . . 1 . . . . . . . . 4285 1 394 . 1 1 37 37 LEU HD22 H 1 0.6 . . 1 . . . . . . . . 4285 1 395 . 1 1 37 37 LEU HD23 H 1 0.6 . . 1 . . . . . . . . 4285 1 396 . 1 1 37 37 LEU CD1 C 13 26.8 . . 1 . . . . . . . . 4285 1 397 . 1 1 37 37 LEU CD2 C 13 25.66 . . 1 . . . . . . . . 4285 1 398 . 1 1 38 38 LEU H H 1 8.77 . . 1 . . . . . . . . 4285 1 399 . 1 1 38 38 LEU N N 15 120.88 . . 1 . . . . . . . . 4285 1 400 . 1 1 38 38 LEU HA H 1 3.74 . . 1 . . . . . . . . 4285 1 401 . 1 1 38 38 LEU CA C 13 58.5 . . 1 . . . . . . . . 4285 1 402 . 1 1 38 38 LEU HB2 H 1 1.09 . . 1 . . . . . . . . 4285 1 403 . 1 1 38 38 LEU HB3 H 1 1.92 . . 1 . . . . . . . . 4285 1 404 . 1 1 38 38 LEU CB C 13 41.62 . . 1 . . . . . . . . 4285 1 405 . 1 1 38 38 LEU HG H 1 1.1 . . 1 . . . . . . . . 4285 1 406 . 1 1 38 38 LEU CG C 13 25.81 . . 1 . . . . . . . . 4285 1 407 . 1 1 38 38 LEU HD11 H 1 0.72 . . 1 . . . . . . . . 4285 1 408 . 1 1 38 38 LEU HD12 H 1 0.72 . . 1 . . . . . . . . 4285 1 409 . 1 1 38 38 LEU HD13 H 1 0.72 . . 1 . . . . . . . . 4285 1 410 . 1 1 38 38 LEU HD21 H 1 0.64 . . 1 . . . . . . . . 4285 1 411 . 1 1 38 38 LEU HD22 H 1 0.64 . . 1 . . . . . . . . 4285 1 412 . 1 1 38 38 LEU HD23 H 1 0.64 . . 1 . . . . . . . . 4285 1 413 . 1 1 38 38 LEU CD1 C 13 22.7 . . 1 . . . . . . . . 4285 1 414 . 1 1 38 38 LEU CD2 C 13 25.66 . . 1 . . . . . . . . 4285 1 415 . 1 1 39 39 GLN H H 1 7.91 . . 1 . . . . . . . . 4285 1 416 . 1 1 39 39 GLN N N 15 114.22 . . 1 . . . . . . . . 4285 1 417 . 1 1 39 39 GLN HA H 1 3.84 . . 1 . . . . . . . . 4285 1 418 . 1 1 39 39 GLN CA C 13 58.81 . . 1 . . . . . . . . 4285 1 419 . 1 1 39 39 GLN HB2 H 1 2.2 . . 1 . . . . . . . . 4285 1 420 . 1 1 39 39 GLN HB3 H 1 2.14 . . 1 . . . . . . . . 4285 1 421 . 1 1 39 39 GLN CB C 13 28.5 . . 1 . . . . . . . . 4285 1 422 . 1 1 39 39 GLN HG2 H 1 2.63 . . 1 . . . . . . . . 4285 1 423 . 1 1 39 39 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 4285 1 424 . 1 1 39 39 GLN CG C 13 35.19 . . 1 . . . . . . . . 4285 1 425 . 1 1 39 39 GLN HE21 H 1 6.83 . . 1 . . . . . . . . 4285 1 426 . 1 1 39 39 GLN HE22 H 1 7.21 . . 1 . . . . . . . . 4285 1 427 . 1 1 39 39 GLN NE2 N 15 111.3 . . 1 . . . . . . . . 4285 1 428 . 1 1 40 40 THR H H 1 7.57 . . 1 . . . . . . . . 4285 1 429 . 1 1 40 40 THR N N 15 110.03 . . 1 . . . . . . . . 4285 1 430 . 1 1 40 40 THR HA H 1 4.33 . . 1 . . . . . . . . 4285 1 431 . 1 1 40 40 THR CA C 13 64.44 . . 1 . . . . . . . . 4285 1 432 . 1 1 40 40 THR HB H 1 4.22 . . 1 . . . . . . . . 4285 1 433 . 1 1 40 40 THR CB C 13 69.75 . . 1 . . . . . . . . 4285 1 434 . 1 1 40 40 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4285 1 435 . 1 1 40 40 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4285 1 436 . 1 1 40 40 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4285 1 437 . 1 1 40 40 THR CG2 C 13 21.75 . . 1 . . . . . . . . 4285 1 438 . 1 1 41 41 GLU H H 1 8.98 . . 1 . . . . . . . . 4285 1 439 . 1 1 41 41 GLU N N 15 119.30 . . 1 . . . . . . . . 4285 1 440 . 1 1 41 41 GLU HA H 1 4.66 . . 1 . . . . . . . . 4285 1 441 . 1 1 41 41 GLU CA C 13 57.25 . . 1 . . . . . . . . 4285 1 442 . 1 1 41 41 GLU HB2 H 1 1.76 . . 1 . . . . . . . . 4285 1 443 . 1 1 41 41 GLU HB3 H 1 2.36 . . 1 . . . . . . . . 4285 1 444 . 1 1 41 41 GLU CB C 13 30.37 . . 1 . . . . . . . . 4285 1 445 . 1 1 41 41 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 4285 1 446 . 1 1 41 41 GLU HG3 H 1 2.56 . . 1 . . . . . . . . 4285 1 447 . 1 1 41 41 GLU CG C 13 36.12 . . 1 . . . . . . . . 4285 1 448 . 1 1 42 42 LEU H H 1 7.81 . . 1 . . . . . . . . 4285 1 449 . 1 1 42 42 LEU N N 15 121.31 . . 1 . . . . . . . . 4285 1 450 . 1 1 42 42 LEU HA H 1 5.1 . . 1 . . . . . . . . 4285 1 451 . 1 1 42 42 LEU CA C 13 53.5 . . 1 . . . . . . . . 4285 1 452 . 1 1 42 42 LEU HB2 H 1 2.03 . . 1 . . . . . . . . 4285 1 453 . 1 1 42 42 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 4285 1 454 . 1 1 42 42 LEU CB C 13 42.87 . . 1 . . . . . . . . 4285 1 455 . 1 1 42 42 LEU HG H 1 1.54 . . 1 . . . . . . . . 4285 1 456 . 1 1 42 42 LEU CG C 13 28.62 . . 1 . . . . . . . . 4285 1 457 . 1 1 42 42 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4285 1 458 . 1 1 42 42 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4285 1 459 . 1 1 42 42 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4285 1 460 . 1 1 42 42 LEU HD21 H 1 0.67 . . 1 . . . . . . . . 4285 1 461 . 1 1 42 42 LEU HD22 H 1 0.67 . . 1 . . . . . . . . 4285 1 462 . 1 1 42 42 LEU HD23 H 1 0.67 . . 1 . . . . . . . . 4285 1 463 . 1 1 42 42 LEU CD1 C 13 26.75 . . 1 . . . . . . . . 4285 1 464 . 1 1 42 42 LEU CD2 C 13 25.19 . . 1 . . . . . . . . 4285 1 465 . 1 1 43 43 SER H H 1 6.92 . . 1 . . . . . . . . 4285 1 466 . 1 1 43 43 SER N N 15 113.80 . . 1 . . . . . . . . 4285 1 467 . 1 1 43 43 SER HA H 1 3.95 . . 1 . . . . . . . . 4285 1 468 . 1 1 43 43 SER CA C 13 62.25 . . 1 . . . . . . . . 4285 1 469 . 1 1 43 43 SER HB2 H 1 3.89 . . 1 . . . . . . . . 4285 1 470 . 1 1 43 43 SER HB3 H 1 4.22 . . 1 . . . . . . . . 4285 1 471 . 1 1 43 43 SER CB C 13 63.57 . . 1 . . . . . . . . 4285 1 472 . 1 1 44 44 SER H H 1 9.37 . . 1 . . . . . . . . 4285 1 473 . 1 1 44 44 SER N N 15 121.09 . . 1 . . . . . . . . 4285 1 474 . 1 1 44 44 SER HA H 1 4.55 . . 1 . . . . . . . . 4285 1 475 . 1 1 44 44 SER CA C 13 62.25 . . 1 . . . . . . . . 4285 1 476 . 1 1 44 44 SER HB2 H 1 4.17 . . 1 . . . . . . . . 4285 1 477 . 1 1 44 44 SER HB3 H 1 4 . . 1 . . . . . . . . 4285 1 478 . 1 1 44 44 SER CB C 13 62 . . 1 . . . . . . . . 4285 1 479 . 1 1 45 45 PHE H H 1 8.01 . . 1 . . . . . . . . 4285 1 480 . 1 1 45 45 PHE N N 15 123.82 . . 1 . . . . . . . . 4285 1 481 . 1 1 45 45 PHE HA H 1 4.55 . . 1 . . . . . . . . 4285 1 482 . 1 1 45 45 PHE CA C 13 57.88 . . 1 . . . . . . . . 4285 1 483 . 1 1 45 45 PHE HB2 H 1 3.51 . . 1 . . . . . . . . 4285 1 484 . 1 1 45 45 PHE HB3 H 1 3.13 . . 1 . . . . . . . . 4285 1 485 . 1 1 45 45 PHE CB C 13 36.62 . . 1 . . . . . . . . 4285 1 486 . 1 1 45 45 PHE HD1 H 1 7.12 . . 1 . . . . . . . . 4285 1 487 . 1 1 45 45 PHE HD2 H 1 7.12 . . 1 . . . . . . . . 4285 1 488 . 1 1 45 45 PHE CD1 C 13 130.5 . . 1 . . . . . . . . 4285 1 489 . 1 1 45 45 PHE CD2 C 13 130.5 . . 1 . . . . . . . . 4285 1 490 . 1 1 45 45 PHE HZ H 1 7.27 . . 1 . . . . . . . . 4285 1 491 . 1 1 45 45 PHE CZ C 13 138.6 . . 1 . . . . . . . . 4285 1 492 . 1 1 46 46 LEU H H 1 8.35 . . 1 . . . . . . . . 4285 1 493 . 1 1 46 46 LEU N N 15 117.14 . . 1 . . . . . . . . 4285 1 494 . 1 1 46 46 LEU HA H 1 4.17 . . 1 . . . . . . . . 4285 1 495 . 1 1 46 46 LEU CA C 13 57.88 . . 1 . . . . . . . . 4285 1 496 . 1 1 46 46 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 4285 1 497 . 1 1 46 46 LEU HB3 H 1 1.54 . . 1 . . . . . . . . 4285 1 498 . 1 1 46 46 LEU CB C 13 41.31 . . 1 . . . . . . . . 4285 1 499 . 1 1 46 46 LEU HG H 1 1.89 . . 1 . . . . . . . . 4285 1 500 . 1 1 46 46 LEU CG C 13 27.06 . . 1 . . . . . . . . 4285 1 501 . 1 1 46 46 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4285 1 502 . 1 1 46 46 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4285 1 503 . 1 1 46 46 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4285 1 504 . 1 1 46 46 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 4285 1 505 . 1 1 46 46 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 4285 1 506 . 1 1 46 46 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 4285 1 507 . 1 1 46 46 LEU CD1 C 13 23.62 . . 1 . . . . . . . . 4285 1 508 . 1 1 46 46 LEU CD2 C 13 26.12 . . 1 . . . . . . . . 4285 1 509 . 1 1 47 47 ASP H H 1 7.75 . . 1 . . . . . . . . 4285 1 510 . 1 1 47 47 ASP N N 15 119.37 . . 1 . . . . . . . . 4285 1 511 . 1 1 47 47 ASP HA H 1 4.6 . . 1 . . . . . . . . 4285 1 512 . 1 1 47 47 ASP CA C 13 57.25 . . 1 . . . . . . . . 4285 1 513 . 1 1 47 47 ASP HB2 H 1 2.91 . . 1 . . . . . . . . 4285 1 514 . 1 1 47 47 ASP HB3 H 1 2.74 . . 1 . . . . . . . . 4285 1 515 . 1 1 47 47 ASP CB C 13 41.62 . . 1 . . . . . . . . 4285 1 516 . 1 1 48 48 VAL H H 1 7.47 . . 1 . . . . . . . . 4285 1 517 . 1 1 48 48 VAL N N 15 113.44 . . 1 . . . . . . . . 4285 1 518 . 1 1 48 48 VAL HA H 1 4.53 . . 1 . . . . . . . . 4285 1 519 . 1 1 48 48 VAL CA C 13 59.75 . . 1 . . . . . . . . 4285 1 520 . 1 1 48 48 VAL CB C 13 31.62 . . 1 . . . . . . . . 4285 1 521 . 1 1 48 48 VAL HG11 H 1 1.05 . . 1 . . . . . . . . 4285 1 522 . 1 1 48 48 VAL HG12 H 1 1.05 . . 1 . . . . . . . . 4285 1 523 . 1 1 48 48 VAL HG13 H 1 1.05 . . 1 . . . . . . . . 4285 1 524 . 1 1 48 48 VAL HG21 H 1 0.93 . . 1 . . . . . . . . 4285 1 525 . 1 1 48 48 VAL HG22 H 1 0.93 . . 1 . . . . . . . . 4285 1 526 . 1 1 48 48 VAL HG23 H 1 0.93 . . 1 . . . . . . . . 4285 1 527 . 1 1 48 48 VAL CG1 C 13 18.94 . . 1 . . . . . . . . 4285 1 528 . 1 1 48 48 VAL CG2 C 13 21.75 . . 1 . . . . . . . . 4285 1 529 . 1 1 49 49 GLN H H 1 7.33 . . 1 . . . . . . . . 4285 1 530 . 1 1 49 49 GLN N N 15 119.12 . . 1 . . . . . . . . 4285 1 531 . 1 1 49 49 GLN HA H 1 4.17 . . 1 . . . . . . . . 4285 1 532 . 1 1 49 49 GLN CA C 13 56.63 . . 1 . . . . . . . . 4285 1 533 . 1 1 49 49 GLN HB2 H 1 2.14 . . 1 . . . . . . . . 4285 1 534 . 1 1 49 49 GLN HB3 H 1 1.76 . . 1 . . . . . . . . 4285 1 535 . 1 1 49 49 GLN CB C 13 31 . . 1 . . . . . . . . 4285 1 536 . 1 1 49 49 GLN HG2 H 1 2.52 . . 1 . . . . . . . . 4285 1 537 . 1 1 49 49 GLN HG3 H 1 2.16 . . 1 . . . . . . . . 4285 1 538 . 1 1 49 49 GLN CG C 13 33.31 . . 1 . . . . . . . . 4285 1 539 . 1 1 49 49 GLN HE21 H 1 7.62 . . 1 . . . . . . . . 4285 1 540 . 1 1 49 49 GLN HE22 H 1 6.53 . . 1 . . . . . . . . 4285 1 541 . 1 1 49 49 GLN NE2 N 15 108.5 . . 1 . . . . . . . . 4285 1 542 . 1 1 50 50 LYS H H 1 8.06 . . 1 . . . . . . . . 4285 1 543 . 1 1 50 50 LYS N N 15 122.94 . . 1 . . . . . . . . 4285 1 544 . 1 1 50 50 LYS HA H 1 4.11 . . 1 . . . . . . . . 4285 1 545 . 1 1 50 50 LYS CA C 13 56.31 . . 1 . . . . . . . . 4285 1 546 . 1 1 50 50 LYS CB C 13 31.31 . . 1 . . . . . . . . 4285 1 547 . 1 1 50 50 LYS HG2 H 1 1.03 . . 1 . . . . . . . . 4285 1 548 . 1 1 50 50 LYS HG3 H 1 0.89 . . 1 . . . . . . . . 4285 1 549 . 1 1 50 50 LYS CG C 13 24.87 . . 1 . . . . . . . . 4285 1 550 . 1 1 50 50 LYS HD2 H 1 1.29 . . 1 . . . . . . . . 4285 1 551 . 1 1 50 50 LYS HD3 H 1 1.29 . . 1 . . . . . . . . 4285 1 552 . 1 1 50 50 LYS CD C 13 28.31 . . 1 . . . . . . . . 4285 1 553 . 1 1 50 50 LYS HE2 H 1 2.69 . . 1 . . . . . . . . 4285 1 554 . 1 1 50 50 LYS HE3 H 1 2.69 . . 1 . . . . . . . . 4285 1 555 . 1 1 50 50 LYS CE C 13 42.69 . . 1 . . . . . . . . 4285 1 556 . 1 1 51 51 ASP H H 1 7.38 . . 1 . . . . . . . . 4285 1 557 . 1 1 51 51 ASP N N 15 119.45 . . 1 . . . . . . . . 4285 1 558 . 1 1 51 51 ASP HA H 1 4.71 . . 1 . . . . . . . . 4285 1 559 . 1 1 51 51 ASP CA C 13 51.62 . . 1 . . . . . . . . 4285 1 560 . 1 1 51 51 ASP HB2 H 1 2.63 . . 1 . . . . . . . . 4285 1 561 . 1 1 51 51 ASP HB3 H 1 3.07 . . 1 . . . . . . . . 4285 1 562 . 1 1 51 51 ASP CB C 13 40.37 . . 1 . . . . . . . . 4285 1 563 . 1 1 52 52 ALA H H 1 7.97 . . 1 . . . . . . . . 4285 1 564 . 1 1 52 52 ALA N N 15 126.06 . . 1 . . . . . . . . 4285 1 565 . 1 1 52 52 ALA HA H 1 4.28 . . 1 . . . . . . . . 4285 1 566 . 1 1 52 52 ALA CA C 13 54.44 . . 1 . . . . . . . . 4285 1 567 . 1 1 52 52 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4285 1 568 . 1 1 52 52 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4285 1 569 . 1 1 52 52 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4285 1 570 . 1 1 52 52 ALA CB C 13 19.12 . . 1 . . . . . . . . 4285 1 571 . 1 1 53 53 ASP H H 1 8.13 . . 1 . . . . . . . . 4285 1 572 . 1 1 53 53 ASP N N 15 118.26 . . 1 . . . . . . . . 4285 1 573 . 1 1 53 53 ASP HA H 1 4.38 . . 1 . . . . . . . . 4285 1 574 . 1 1 53 53 ASP CA C 13 57.56 . . 1 . . . . . . . . 4285 1 575 . 1 1 53 53 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 4285 1 576 . 1 1 53 53 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4285 1 577 . 1 1 53 53 ASP CB C 13 41 . . 1 . . . . . . . . 4285 1 578 . 1 1 54 54 ALA H H 1 7.51 . . 1 . . . . . . . . 4285 1 579 . 1 1 54 54 ALA N N 15 122.94 . . 1 . . . . . . . . 4285 1 580 . 1 1 54 54 ALA HA H 1 4.06 . . 1 . . . . . . . . 4285 1 581 . 1 1 54 54 ALA CA C 13 54.75 . . 1 . . . . . . . . 4285 1 582 . 1 1 54 54 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4285 1 583 . 1 1 54 54 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4285 1 584 . 1 1 54 54 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4285 1 585 . 1 1 54 54 ALA CB C 13 18.52 . . 1 . . . . . . . . 4285 1 586 . 1 1 55 55 VAL H H 1 7.21 . . 1 . . . . . . . . 4285 1 587 . 1 1 55 55 VAL N N 15 117.60 . . 1 . . . . . . . . 4285 1 588 . 1 1 55 55 VAL HA H 1 3.35 . . 1 . . . . . . . . 4285 1 589 . 1 1 55 55 VAL CA C 13 66.63 . . 1 . . . . . . . . 4285 1 590 . 1 1 55 55 VAL HB H 1 2.09 . . 1 . . . . . . . . 4285 1 591 . 1 1 55 55 VAL CB C 13 31.62 . . 1 . . . . . . . . 4285 1 592 . 1 1 55 55 VAL HG11 H 1 0.83 . . 1 . . . . . . . . 4285 1 593 . 1 1 55 55 VAL HG12 H 1 0.83 . . 1 . . . . . . . . 4285 1 594 . 1 1 55 55 VAL HG13 H 1 0.83 . . 1 . . . . . . . . 4285 1 595 . 1 1 55 55 VAL HG21 H 1 1.69 . . 1 . . . . . . . . 4285 1 596 . 1 1 55 55 VAL HG22 H 1 1.69 . . 1 . . . . . . . . 4285 1 597 . 1 1 55 55 VAL HG23 H 1 1.69 . . 1 . . . . . . . . 4285 1 598 . 1 1 55 55 VAL CG1 C 13 22.69 . . 1 . . . . . . . . 4285 1 599 . 1 1 55 55 VAL CG2 C 13 26.5 . . 1 . . . . . . . . 4285 1 600 . 1 1 56 56 ASP H H 1 8.41 . . 1 . . . . . . . . 4285 1 601 . 1 1 56 56 ASP N N 15 119.90 . . 1 . . . . . . . . 4285 1 602 . 1 1 56 56 ASP HA H 1 4.33 . . 1 . . . . . . . . 4285 1 603 . 1 1 56 56 ASP CA C 13 57.56 . . 1 . . . . . . . . 4285 1 604 . 1 1 56 56 ASP HB2 H 1 2.63 . . 1 . . . . . . . . 4285 1 605 . 1 1 56 56 ASP HB3 H 1 2.8 . . 1 . . . . . . . . 4285 1 606 . 1 1 56 56 ASP CB C 13 41.31 . . 1 . . . . . . . . 4285 1 607 . 1 1 57 57 LYS H H 1 7.9 . . 1 . . . . . . . . 4285 1 608 . 1 1 57 57 LYS N N 15 118.34 . . 1 . . . . . . . . 4285 1 609 . 1 1 57 57 LYS HA H 1 3.95 . . 1 . . . . . . . . 4285 1 610 . 1 1 57 57 LYS CA C 13 60.06 . . 1 . . . . . . . . 4285 1 611 . 1 1 57 57 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 4285 1 612 . 1 1 57 57 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 4285 1 613 . 1 1 57 57 LYS CB C 13 32.87 . . 1 . . . . . . . . 4285 1 614 . 1 1 57 57 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4285 1 615 . 1 1 57 57 LYS HG3 H 1 1.56 . . 1 . . . . . . . . 4285 1 616 . 1 1 57 57 LYS CG C 13 25.19 . . 1 . . . . . . . . 4285 1 617 . 1 1 57 57 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 4285 1 618 . 1 1 57 57 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 4285 1 619 . 1 1 57 57 LYS CD C 13 29.87 . . 1 . . . . . . . . 4285 1 620 . 1 1 57 57 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4285 1 621 . 1 1 57 57 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4285 1 622 . 1 1 57 57 LYS CE C 13 42.37 . . 1 . . . . . . . . 4285 1 623 . 1 1 58 58 ILE H H 1 7.34 . . 1 . . . . . . . . 4285 1 624 . 1 1 58 58 ILE N N 15 120.60 . . 1 . . . . . . . . 4285 1 625 . 1 1 58 58 ILE HA H 1 3.78 . . 1 . . . . . . . . 4285 1 626 . 1 1 58 58 ILE CA C 13 65.38 . . 1 . . . . . . . . 4285 1 627 . 1 1 58 58 ILE HB H 1 1.92 . . 1 . . . . . . . . 4285 1 628 . 1 1 58 58 ILE CB C 13 38.5 . . 1 . . . . . . . . 4285 1 629 . 1 1 58 58 ILE HG12 H 1 1.06 . . 1 . . . . . . . . 4285 1 630 . 1 1 58 58 ILE HG13 H 1 0.88 . . 1 . . . . . . . . 4285 1 631 . 1 1 58 58 ILE CG1 C 13 30.19 . . 1 . . . . . . . . 4285 1 632 . 1 1 58 58 ILE CG2 C 13 16.44 . . 1 . . . . . . . . 4285 1 633 . 1 1 58 58 ILE HD11 H 1 0.72 . . 1 . . . . . . . . 4285 1 634 . 1 1 58 58 ILE HD12 H 1 0.72 . . 1 . . . . . . . . 4285 1 635 . 1 1 58 58 ILE HD13 H 1 0.72 . . 1 . . . . . . . . 4285 1 636 . 1 1 58 58 ILE CD1 C 13 13.62 . . 1 . . . . . . . . 4285 1 637 . 1 1 59 59 MET H H 1 8.49 . . 1 . . . . . . . . 4285 1 638 . 1 1 59 59 MET N N 15 117.62 . . 1 . . . . . . . . 4285 1 639 . 1 1 59 59 MET HA H 1 4.17 . . 1 . . . . . . . . 4285 1 640 . 1 1 59 59 MET CA C 13 57.88 . . 1 . . . . . . . . 4285 1 641 . 1 1 59 59 MET HB2 H 1 1.92 . . 1 . . . . . . . . 4285 1 642 . 1 1 59 59 MET HB3 H 1 2.29 . . 1 . . . . . . . . 4285 1 643 . 1 1 59 59 MET CB C 13 31 . . 1 . . . . . . . . 4285 1 644 . 1 1 59 59 MET HG3 H 1 2.85 . . 1 . . . . . . . . 4285 1 645 . 1 1 59 59 MET CG C 13 33.62 . . 1 . . . . . . . . 4285 1 646 . 1 1 60 60 LYS H H 1 8.56 . . 1 . . . . . . . . 4285 1 647 . 1 1 60 60 LYS N N 15 119.63 . . 1 . . . . . . . . 4285 1 648 . 1 1 60 60 LYS HA H 1 4.06 . . 1 . . . . . . . . 4285 1 649 . 1 1 60 60 LYS CA C 13 59.13 . . 1 . . . . . . . . 4285 1 650 . 1 1 60 60 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 4285 1 651 . 1 1 60 60 LYS CB C 13 32.25 . . 1 . . . . . . . . 4285 1 652 . 1 1 60 60 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4285 1 653 . 1 1 60 60 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4285 1 654 . 1 1 60 60 LYS CG C 13 25.5 . . 1 . . . . . . . . 4285 1 655 . 1 1 60 60 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 4285 1 656 . 1 1 60 60 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 4285 1 657 . 1 1 60 60 LYS CD C 13 29.56 . . 1 . . . . . . . . 4285 1 658 . 1 1 60 60 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4285 1 659 . 1 1 60 60 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4285 1 660 . 1 1 60 60 LYS CE C 13 42.37 . . 1 . . . . . . . . 4285 1 661 . 1 1 61 61 GLU H H 1 7.46 . . 1 . . . . . . . . 4285 1 662 . 1 1 61 61 GLU N N 15 120.95 . . 1 . . . . . . . . 4285 1 663 . 1 1 61 61 GLU HA H 1 4.06 . . 1 . . . . . . . . 4285 1 664 . 1 1 61 61 GLU CA C 13 60.06 . . 1 . . . . . . . . 4285 1 665 . 1 1 61 61 GLU HB2 H 1 2.09 . . 1 . . . . . . . . 4285 1 666 . 1 1 61 61 GLU HB3 H 1 2.25 . . 1 . . . . . . . . 4285 1 667 . 1 1 61 61 GLU CB C 13 28.94 . . 1 . . . . . . . . 4285 1 668 . 1 1 61 61 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4285 1 669 . 1 1 61 61 GLU HG3 H 1 2.4 . . 1 . . . . . . . . 4285 1 670 . 1 1 61 61 GLU CG C 13 36.44 . . 1 . . . . . . . . 4285 1 671 . 1 1 62 62 LEU H H 1 7.59 . . 1 . . . . . . . . 4285 1 672 . 1 1 62 62 LEU N N 15 117.60 . . 1 . . . . . . . . 4285 1 673 . 1 1 62 62 LEU HA H 1 3.95 . . 1 . . . . . . . . 4285 1 674 . 1 1 62 62 LEU CA C 13 57.56 . . 1 . . . . . . . . 4285 1 675 . 1 1 62 62 LEU HB2 H 1 1.92 . . 1 . . . . . . . . 4285 1 676 . 1 1 62 62 LEU HB3 H 1 1.49 . . 1 . . . . . . . . 4285 1 677 . 1 1 62 62 LEU CB C 13 41 . . 1 . . . . . . . . 4285 1 678 . 1 1 62 62 LEU HG H 1 2.25 . . 1 . . . . . . . . 4285 1 679 . 1 1 62 62 LEU CG C 13 26.12 . . 1 . . . . . . . . 4285 1 680 . 1 1 62 62 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4285 1 681 . 1 1 62 62 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4285 1 682 . 1 1 62 62 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4285 1 683 . 1 1 62 62 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 4285 1 684 . 1 1 62 62 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 4285 1 685 . 1 1 62 62 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 4285 1 686 . 1 1 62 62 LEU CD1 C 13 22.69 . . 1 . . . . . . . . 4285 1 687 . 1 1 62 62 LEU CD2 C 13 26.52 . . 1 . . . . . . . . 4285 1 688 . 1 1 63 63 ASP H H 1 7.49 . . 1 . . . . . . . . 4285 1 689 . 1 1 63 63 ASP N N 15 116.33 . . 1 . . . . . . . . 4285 1 690 . 1 1 63 63 ASP HA H 1 4.49 . . 1 . . . . . . . . 4285 1 691 . 1 1 63 63 ASP CA C 13 56.31 . . 1 . . . . . . . . 4285 1 692 . 1 1 63 63 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4285 1 693 . 1 1 63 63 ASP HB3 H 1 2.72 . . 1 . . . . . . . . 4285 1 694 . 1 1 63 63 ASP CB C 13 42.25 . . 1 . . . . . . . . 4285 1 695 . 1 1 64 64 GLU H H 1 8.18 . . 1 . . . . . . . . 4285 1 696 . 1 1 64 64 GLU N N 15 119.30 . . 1 . . . . . . . . 4285 1 697 . 1 1 64 64 GLU HA H 1 4.11 . . 1 . . . . . . . . 4285 1 698 . 1 1 64 64 GLU CA C 13 58.19 . . 1 . . . . . . . . 4285 1 699 . 1 1 64 64 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4285 1 700 . 1 1 64 64 GLU CB C 13 30.37 . . 1 . . . . . . . . 4285 1 701 . 1 1 64 64 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 4285 1 702 . 1 1 64 64 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4285 1 703 . 1 1 64 64 GLU CG C 13 36.44 . . 1 . . . . . . . . 4285 1 704 . 1 1 65 65 ASN H H 1 7.71 . . 1 . . . . . . . . 4285 1 705 . 1 1 65 65 ASN N N 15 118.26 . . 1 . . . . . . . . 4285 1 706 . 1 1 65 65 ASN HA H 1 5.2 . . 1 . . . . . . . . 4285 1 707 . 1 1 65 65 ASN CA C 13 51.94 . . 1 . . . . . . . . 4285 1 708 . 1 1 65 65 ASN HB2 H 1 2.91 . . 1 . . . . . . . . 4285 1 709 . 1 1 65 65 ASN HB3 H 1 2.69 . . 1 . . . . . . . . 4285 1 710 . 1 1 65 65 ASN CB C 13 39.12 . . 1 . . . . . . . . 4285 1 711 . 1 1 65 65 ASN HD21 H 1 8.10 . . 1 . . . . . . . . 4285 1 712 . 1 1 65 65 ASN HD22 H 1 6.99 . . 1 . . . . . . . . 4285 1 713 . 1 1 65 65 ASN ND2 N 15 115.61 . . 1 . . . . . . . . 4285 1 714 . 1 1 66 66 GLY H H 1 7.59 . . 1 . . . . . . . . 4285 1 715 . 1 1 66 66 GLY N N 15 107.63 . . 1 . . . . . . . . 4285 1 716 . 1 1 66 66 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 4285 1 717 . 1 1 66 66 GLY HA3 H 1 4 . . 1 . . . . . . . . 4285 1 718 . 1 1 66 66 GLY CA C 13 48.19 . . 1 . . . . . . . . 4285 1 719 . 1 1 67 67 ASP H H 1 8.29 . . 1 . . . . . . . . 4285 1 720 . 1 1 67 67 ASP N N 15 116.22 . . 1 . . . . . . . . 4285 1 721 . 1 1 67 67 ASP HA H 1 4.82 . . 1 . . . . . . . . 4285 1 722 . 1 1 67 67 ASP CA C 13 54.12 . . 1 . . . . . . . . 4285 1 723 . 1 1 67 67 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4285 1 724 . 1 1 67 67 ASP HB3 H 1 2.8 . . 1 . . . . . . . . 4285 1 725 . 1 1 67 67 ASP CB C 13 40.69 . . 1 . . . . . . . . 4285 1 726 . 1 1 68 68 GLY H H 1 8.23 . . 1 . . . . . . . . 4285 1 727 . 1 1 68 68 GLY N N 15 109.71 . . 1 . . . . . . . . 4285 1 728 . 1 1 68 68 GLY HA2 H 1 4.29 . . 1 . . . . . . . . 4285 1 729 . 1 1 68 68 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 4285 1 730 . 1 1 68 68 GLY CA C 13 44.88 . . 1 . . . . . . . . 4285 1 731 . 1 1 69 69 GLU H H 1 8.43 . . 1 . . . . . . . . 4285 1 732 . 1 1 69 69 GLU N N 15 117.68 . . 1 . . . . . . . . 4285 1 733 . 1 1 69 69 GLU HA H 1 5.26 . . 1 . . . . . . . . 4285 1 734 . 1 1 69 69 GLU CA C 13 55.06 . . 1 . . . . . . . . 4285 1 735 . 1 1 69 69 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 4285 1 736 . 1 1 69 69 GLU HB3 H 1 1.84 . . 1 . . . . . . . . 4285 1 737 . 1 1 69 69 GLU CB C 13 34.12 . . 1 . . . . . . . . 4285 1 738 . 1 1 69 69 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 4285 1 739 . 1 1 69 69 GLU HG2 H 1 2.1 . . 1 . . . . . . . . 4285 1 740 . 1 1 69 69 GLU CG C 13 35.811 . . 1 . . . . . . . . 4285 1 741 . 1 1 70 70 VAL H H 1 9.12 . . 1 . . . . . . . . 4285 1 742 . 1 1 70 70 VAL N N 15 115.40 . . 1 . . . . . . . . 4285 1 743 . 1 1 70 70 VAL HA H 1 5.04 . . 1 . . . . . . . . 4285 1 744 . 1 1 70 70 VAL CA C 13 59.44 . . 1 . . . . . . . . 4285 1 745 . 1 1 70 70 VAL HB H 1 2.47 . . 1 . . . . . . . . 4285 1 746 . 1 1 70 70 VAL CB C 13 35.37 . . 1 . . . . . . . . 4285 1 747 . 1 1 70 70 VAL HG11 H 1 1.05 . . 1 . . . . . . . . 4285 1 748 . 1 1 70 70 VAL HG12 H 1 1.05 . . 1 . . . . . . . . 4285 1 749 . 1 1 70 70 VAL HG13 H 1 1.05 . . 1 . . . . . . . . 4285 1 750 . 1 1 70 70 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 4285 1 751 . 1 1 70 70 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 4285 1 752 . 1 1 70 70 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 4285 1 753 . 1 1 70 70 VAL CG1 C 13 19.87 . . 1 . . . . . . . . 4285 1 754 . 1 1 70 70 VAL CG2 C 13 22.06 . . 1 . . . . . . . . 4285 1 755 . 1 1 71 71 ASP H H 1 8.34 . . 1 . . . . . . . . 4285 1 756 . 1 1 71 71 ASP N N 15 122.17 . . 1 . . . . . . . . 4285 1 757 . 1 1 71 71 ASP HA H 1 5.59 . . 1 . . . . . . . . 4285 1 758 . 1 1 71 71 ASP CA C 13 51.31 . . 1 . . . . . . . . 4285 1 759 . 1 1 71 71 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 4285 1 760 . 1 1 71 71 ASP HB3 H 1 3.56 . . 1 . . . . . . . . 4285 1 761 . 1 1 71 71 ASP CB C 13 42.87 . . 1 . . . . . . . . 4285 1 762 . 1 1 72 72 PHE H H 1 9.4 . . 1 . . . . . . . . 4285 1 763 . 1 1 72 72 PHE N N 15 120.14 . . 1 . . . . . . . . 4285 1 764 . 1 1 72 72 PHE HA H 1 3.32 . . 1 . . . . . . . . 4285 1 765 . 1 1 72 72 PHE CA C 13 61.94 . . 1 . . . . . . . . 4285 1 766 . 1 1 72 72 PHE HB2 H 1 2.72 . . 1 . . . . . . . . 4285 1 767 . 1 1 72 72 PHE HB3 H 1 2.6 . . 1 . . . . . . . . 4285 1 768 . 1 1 72 72 PHE CB C 13 40.37 . . 1 . . . . . . . . 4285 1 769 . 1 1 72 72 PHE HD1 H 1 6.54 . . 2 . . . . . . . . 4285 1 770 . 1 1 72 72 PHE HE1 H 1 7.01 . . 2 . . . . . . . . 4285 1 771 . 1 1 72 72 PHE HZ H 1 7.3 . . 1 . . . . . . . . 4285 1 772 . 1 1 73 73 GLN H H 1 7.93 . . 1 . . . . . . . . 4285 1 773 . 1 1 73 73 GLN N N 15 116.99 . . 1 . . . . . . . . 4285 1 774 . 1 1 73 73 GLN HA H 1 3.45 . . 1 . . . . . . . . 4285 1 775 . 1 1 73 73 GLN CA C 13 60.69 . . 1 . . . . . . . . 4285 1 776 . 1 1 73 73 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 4285 1 777 . 1 1 73 73 GLN CB C 13 28.81 . . 1 . . . . . . . . 4285 1 778 . 1 1 73 73 GLN HG2 H 1 2.25 . . 1 . . . . . . . . 4285 1 779 . 1 1 73 73 GLN HG3 H 1 2.09 . . 1 . . . . . . . . 4285 1 780 . 1 1 73 73 GLN CG C 13 36.44 . . 1 . . . . . . . . 4285 1 781 . 1 1 73 73 GLN HE21 H 1 6.83 . . 1 . . . . . . . . 4285 1 782 . 1 1 73 73 GLN HE22 H 1 7.63 . . 1 . . . . . . . . 4285 1 783 . 1 1 73 73 GLN NE2 N 15 111.7 . . 1 . . . . . . . . 4285 1 784 . 1 1 74 74 GLU H H 1 8.25 . . 1 . . . . . . . . 4285 1 785 . 1 1 74 74 GLU N N 15 120.30 . . 1 . . . . . . . . 4285 1 786 . 1 1 74 74 GLU HA H 1 3.95 . . 1 . . . . . . . . 4285 1 787 . 1 1 74 74 GLU CA C 13 59.44 . . 1 . . . . . . . . 4285 1 788 . 1 1 74 74 GLU HB2 H 1 2.31 . . 1 . . . . . . . . 4285 1 789 . 1 1 74 74 GLU HB3 H 1 1.96 . . 1 . . . . . . . . 4285 1 790 . 1 1 74 74 GLU CB C 13 30.37 . . 1 . . . . . . . . 4285 1 791 . 1 1 74 74 GLU HG2 H 1 2.53 . . 1 . . . . . . . . 4285 1 792 . 1 1 74 74 GLU HG3 H 1 1.98 . . 1 . . . . . . . . 4285 1 793 . 1 1 74 74 GLU CG C 13 36.75 . . 1 . . . . . . . . 4285 1 794 . 1 1 75 75 PHE H H 1 8.44 . . 1 . . . . . . . . 4285 1 795 . 1 1 75 75 PHE N N 15 120.85 . . 1 . . . . . . . . 4285 1 796 . 1 1 75 75 PHE HA H 1 4.22 . . 1 . . . . . . . . 4285 1 797 . 1 1 75 75 PHE CA C 13 61 . . 1 . . . . . . . . 4285 1 798 . 1 1 75 75 PHE HB2 H 1 3.51 . . 1 . . . . . . . . 4285 1 799 . 1 1 75 75 PHE HB3 H 1 3.18 . . 1 . . . . . . . . 4285 1 800 . 1 1 75 75 PHE CB C 13 39.12 . . 1 . . . . . . . . 4285 1 801 . 1 1 75 75 PHE HD2 H 1 7.06 . . 1 . . . . . . . . 4285 1 802 . 1 1 75 75 PHE CD2 C 13 137.2 . . 1 . . . . . . . . 4285 1 803 . 1 1 75 75 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4285 1 804 . 1 1 75 75 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4285 1 805 . 1 1 75 75 PHE HZ H 1 7.36 . . 1 . . . . . . . . 4285 1 806 . 1 1 76 76 VAL H H 1 7.9 . . 1 . . . . . . . . 4285 1 807 . 1 1 76 76 VAL N N 15 118.34 . . 1 . . . . . . . . 4285 1 808 . 1 1 76 76 VAL HA H 1 2.8 . . 1 . . . . . . . . 4285 1 809 . 1 1 76 76 VAL CA C 13 67.25 . . 1 . . . . . . . . 4285 1 810 . 1 1 76 76 VAL HB H 1 1.64 . . 1 . . . . . . . . 4285 1 811 . 1 1 76 76 VAL CB C 13 30.37 . . 1 . . . . . . . . 4285 1 812 . 1 1 76 76 VAL HG11 H 1 0.45 . . 1 . . . . . . . . 4285 1 813 . 1 1 76 76 VAL HG12 H 1 0.45 . . 1 . . . . . . . . 4285 1 814 . 1 1 76 76 VAL HG13 H 1 0.45 . . 1 . . . . . . . . 4285 1 815 . 1 1 76 76 VAL HG21 H 1 0.28 . . 1 . . . . . . . . 4285 1 816 . 1 1 76 76 VAL HG22 H 1 0.28 . . 1 . . . . . . . . 4285 1 817 . 1 1 76 76 VAL HG23 H 1 0.28 . . 1 . . . . . . . . 4285 1 818 . 1 1 76 76 VAL CG1 C 13 22.69 . . 1 . . . . . . . . 4285 1 819 . 1 1 76 76 VAL CG2 C 13 23.31 . . 1 . . . . . . . . 4285 1 820 . 1 1 77 77 VAL H H 1 7.61 . . 1 . . . . . . . . 4285 1 821 . 1 1 77 77 VAL N N 15 120.34 . . 1 . . . . . . . . 4285 1 822 . 1 1 77 77 VAL HA H 1 3.4 . . 1 . . . . . . . . 4285 1 823 . 1 1 77 77 VAL CA C 13 66.94 . . 1 . . . . . . . . 4285 1 824 . 1 1 77 77 VAL HB H 1 2.14 . . 1 . . . . . . . . 4285 1 825 . 1 1 77 77 VAL CB C 13 31.31 . . 1 . . . . . . . . 4285 1 826 . 1 1 77 77 VAL HG11 H 1 0.99 . . 1 . . . . . . . . 4285 1 827 . 1 1 77 77 VAL HG12 H 1 0.99 . . 1 . . . . . . . . 4285 1 828 . 1 1 77 77 VAL HG13 H 1 0.99 . . 1 . . . . . . . . 4285 1 829 . 1 1 77 77 VAL HG21 H 1 0.88 . . 1 . . . . . . . . 4285 1 830 . 1 1 77 77 VAL HG22 H 1 0.88 . . 1 . . . . . . . . 4285 1 831 . 1 1 77 77 VAL HG23 H 1 0.88 . . 1 . . . . . . . . 4285 1 832 . 1 1 77 77 VAL CG1 C 13 23.62 . . 1 . . . . . . . . 4285 1 833 . 1 1 77 77 VAL CG2 C 13 20.81 . . 1 . . . . . . . . 4285 1 834 . 1 1 78 78 LEU H H 1 7.78 . . 1 . . . . . . . . 4285 1 835 . 1 1 78 78 LEU N N 15 122.09 . . 1 . . . . . . . . 4285 1 836 . 1 1 78 78 LEU HA H 1 4.11 . . 1 . . . . . . . . 4285 1 837 . 1 1 78 78 LEU CA C 13 58.5 . . 1 . . . . . . . . 4285 1 838 . 1 1 78 78 LEU HB2 H 1 1.98 . . 1 . . . . . . . . 4285 1 839 . 1 1 78 78 LEU HB3 H 1 1.32 . . 1 . . . . . . . . 4285 1 840 . 1 1 78 78 LEU CB C 13 42.25 . . 1 . . . . . . . . 4285 1 841 . 1 1 78 78 LEU HG H 1 1.85 . . 1 . . . . . . . . 4285 1 842 . 1 1 78 78 LEU CG C 13 27.37 . . 1 . . . . . . . . 4285 1 843 . 1 1 78 78 LEU HD11 H 1 0.93 . . 1 . . . . . . . . 4285 1 844 . 1 1 78 78 LEU HD12 H 1 0.93 . . 1 . . . . . . . . 4285 1 845 . 1 1 78 78 LEU HD13 H 1 0.93 . . 1 . . . . . . . . 4285 1 846 . 1 1 78 78 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4285 1 847 . 1 1 78 78 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4285 1 848 . 1 1 78 78 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4285 1 849 . 1 1 78 78 LEU CD1 C 13 26.44 . . 1 . . . . . . . . 4285 1 850 . 1 1 78 78 LEU CD2 C 13 23.94 . . 1 . . . . . . . . 4285 1 851 . 1 1 79 79 VAL H H 1 8.22 . . 1 . . . . . . . . 4285 1 852 . 1 1 79 79 VAL N N 15 118.92 . . 1 . . . . . . . . 4285 1 853 . 1 1 79 79 VAL HA H 1 3.45 . . 1 . . . . . . . . 4285 1 854 . 1 1 79 79 VAL CA C 13 67.25 . . 1 . . . . . . . . 4285 1 855 . 1 1 79 79 VAL HB H 1 1.76 . . 1 . . . . . . . . 4285 1 856 . 1 1 79 79 VAL CB C 13 31.62 . . 1 . . . . . . . . 4285 1 857 . 1 1 79 79 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 4285 1 858 . 1 1 79 79 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 4285 1 859 . 1 1 79 79 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 4285 1 860 . 1 1 79 79 VAL HG21 H 1 0.5 . . 1 . . . . . . . . 4285 1 861 . 1 1 79 79 VAL HG22 H 1 0.5 . . 1 . . . . . . . . 4285 1 862 . 1 1 79 79 VAL HG23 H 1 0.5 . . 1 . . . . . . . . 4285 1 863 . 1 1 79 79 VAL CG1 C 13 23.00 . . 1 . . . . . . . . 4285 1 864 . 1 1 79 79 VAL CG2 C 13 23.62 . . 1 . . . . . . . . 4285 1 865 . 1 1 80 80 ALA H H 1 9.02 . . 1 . . . . . . . . 4285 1 866 . 1 1 80 80 ALA N N 15 126.42 . . 1 . . . . . . . . 4285 1 867 . 1 1 80 80 ALA HA H 1 4.06 . . 1 . . . . . . . . 4285 1 868 . 1 1 80 80 ALA CA C 13 55.69 . . 1 . . . . . . . . 4285 1 869 . 1 1 80 80 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4285 1 870 . 1 1 80 80 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4285 1 871 . 1 1 80 80 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4285 1 872 . 1 1 80 80 ALA CB C 13 17.87 . . 1 . . . . . . . . 4285 1 873 . 1 1 81 81 ALA H H 1 8.15 . . 1 . . . . . . . . 4285 1 874 . 1 1 81 81 ALA N N 15 122.31 . . 1 . . . . . . . . 4285 1 875 . 1 1 81 81 ALA HA H 1 4 . . 1 . . . . . . . . 4285 1 876 . 1 1 81 81 ALA CA C 13 55.37 . . 1 . . . . . . . . 4285 1 877 . 1 1 81 81 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4285 1 878 . 1 1 81 81 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4285 1 879 . 1 1 81 81 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4285 1 880 . 1 1 81 81 ALA CB C 13 17.87 . . 1 . . . . . . . . 4285 1 881 . 1 1 82 82 LEU H H 1 8.09 . . 1 . . . . . . . . 4285 1 882 . 1 1 82 82 LEU N N 15 119.03 . . 1 . . . . . . . . 4285 1 883 . 1 1 82 82 LEU HA H 1 4 . . 1 . . . . . . . . 4285 1 884 . 1 1 82 82 LEU CA C 13 57.88 . . 1 . . . . . . . . 4285 1 885 . 1 1 82 82 LEU HB2 H 1 1.98 . . 2 . . . . . . . . 4285 1 886 . 1 1 82 82 LEU CB C 13 42.25 . . 1 . . . . . . . . 4285 1 887 . 1 1 82 82 LEU HG H 1 1.38 . . 1 . . . . . . . . 4285 1 888 . 1 1 82 82 LEU CG C 13 27.37 . . 1 . . . . . . . . 4285 1 889 . 1 1 82 82 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4285 1 890 . 1 1 82 82 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4285 1 891 . 1 1 82 82 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4285 1 892 . 1 1 82 82 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 4285 1 893 . 1 1 82 82 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 4285 1 894 . 1 1 82 82 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 4285 1 895 . 1 1 82 82 LEU CD1 C 13 28 . . 1 . . . . . . . . 4285 1 896 . 1 1 82 82 LEU CD2 C 13 25.81 . . 1 . . . . . . . . 4285 1 897 . 1 1 83 83 THR H H 1 8.34 . . 1 . . . . . . . . 4285 1 898 . 1 1 83 83 THR N N 15 118.14 . . 1 . . . . . . . . 4285 1 899 . 1 1 83 83 THR HA H 1 3.67 . . 1 . . . . . . . . 4285 1 900 . 1 1 83 83 THR CA C 13 69.13 . . 1 . . . . . . . . 4285 1 901 . 1 1 83 83 THR HB H 1 4.66 . . 1 . . . . . . . . 4285 1 902 . 1 1 83 83 THR CB C 13 67.84 . . 1 . . . . . . . . 4285 1 903 . 1 1 83 83 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4285 1 904 . 1 1 83 83 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4285 1 905 . 1 1 83 83 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4285 1 906 . 1 1 83 83 THR CG2 C 13 22.06 . . 1 . . . . . . . . 4285 1 907 . 1 1 84 84 VAL H H 1 7.96 . . 1 . . . . . . . . 4285 1 908 . 1 1 84 84 VAL N N 15 122.18 . . 1 . . . . . . . . 4285 1 909 . 1 1 84 84 VAL HA H 1 3.24 . . 1 . . . . . . . . 4285 1 910 . 1 1 84 84 VAL CA C 13 65.38 . . 1 . . . . . . . . 4285 1 911 . 1 1 84 84 VAL HB H 1 1.81 . . 1 . . . . . . . . 4285 1 912 . 1 1 84 84 VAL CB C 13 31 . . 1 . . . . . . . . 4285 1 913 . 1 1 84 84 VAL HG11 H 1 0.5 . . 1 . . . . . . . . 4285 1 914 . 1 1 84 84 VAL HG12 H 1 0.5 . . 1 . . . . . . . . 4285 1 915 . 1 1 84 84 VAL HG13 H 1 0.5 . . 1 . . . . . . . . 4285 1 916 . 1 1 84 84 VAL HG21 H 1 0.45 . . 1 . . . . . . . . 4285 1 917 . 1 1 84 84 VAL HG22 H 1 0.45 . . 1 . . . . . . . . 4285 1 918 . 1 1 84 84 VAL HG23 H 1 0.45 . . 1 . . . . . . . . 4285 1 919 . 1 1 84 84 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4285 1 920 . 1 1 84 84 VAL CG2 C 13 22.06 . . 1 . . . . . . . . 4285 1 921 . 1 1 85 85 ALA H H 1 7.16 . . 1 . . . . . . . . 4285 1 922 . 1 1 85 85 ALA N N 15 118.11 . . 1 . . . . . . . . 4285 1 923 . 1 1 85 85 ALA HA H 1 4.55 . . 1 . . . . . . . . 4285 1 924 . 1 1 85 85 ALA CA C 13 54.13 . . 1 . . . . . . . . 4285 1 925 . 1 1 85 85 ALA HB1 H 1 1.7 . . 1 . . . . . . . . 4285 1 926 . 1 1 85 85 ALA HB2 H 1 1.7 . . 1 . . . . . . . . 4285 1 927 . 1 1 85 85 ALA HB3 H 1 1.7 . . 1 . . . . . . . . 4285 1 928 . 1 1 85 85 ALA CB C 13 20.37 . . 1 . . . . . . . . 4285 1 929 . 1 1 86 86 CYS H H 1 7.43 . . 1 . . . . . . . . 4285 1 930 . 1 1 86 86 CYS N N 15 112.93 . . 1 . . . . . . . . 4285 1 931 . 1 1 86 86 CYS HA H 1 4.49 . . 1 . . . . . . . . 4285 1 932 . 1 1 86 86 CYS CA C 13 60.69 . . 1 . . . . . . . . 4285 1 933 . 1 1 86 86 CYS HB2 H 1 3.07 . . 2 . . . . . . . . 4285 1 934 . 1 1 86 86 CYS CB C 13 32.25 . . 1 . . . . . . . . 4285 1 935 . 1 1 87 87 ASN H H 1 8.4 . . 1 . . . . . . . . 4285 1 936 . 1 1 87 87 ASN N N 15 118.85 . . 1 . . . . . . . . 4285 1 937 . 1 1 87 87 ASN HA H 1 4.44 . . 1 . . . . . . . . 4285 1 938 . 1 1 87 87 ASN CA C 13 54.5 . . 1 . . . . . . . . 4285 1 939 . 1 1 87 87 ASN HB2 H 1 2.69 . . 1 . . . . . . . . 4285 1 940 . 1 1 87 87 ASN HB3 H 1 2.14 . . 1 . . . . . . . . 4285 1 941 . 1 1 87 87 ASN CB C 13 42.06 . . 1 . . . . . . . . 4285 1 942 . 1 1 88 88 ASN H H 1 8.99 . . 1 . . . . . . . . 4285 1 943 . 1 1 88 88 ASN N N 15 124.89 . . 1 . . . . . . . . 4285 1 944 . 1 1 88 88 ASN HA H 1 4.25 . . 1 . . . . . . . . 4285 1 945 . 1 1 88 88 ASN CA C 13 56.31 . . 1 . . . . . . . . 4285 1 946 . 1 1 88 88 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 4285 1 947 . 1 1 88 88 ASN CB C 13 38.5 . . 1 . . . . . . . . 4285 1 948 . 1 1 88 88 ASN HD21 H 1 6.86 . . 1 . . . . . . . . 4285 1 949 . 1 1 88 88 ASN HD22 H 1 7.52 . . 1 . . . . . . . . 4285 1 950 . 1 1 88 88 ASN ND2 N 15 112.57 . . 1 . . . . . . . . 4285 1 951 . 1 1 89 89 PHE H H 1 8.65 . . 1 . . . . . . . . 4285 1 952 . 1 1 89 89 PHE N N 15 121.04 . . 1 . . . . . . . . 4285 1 953 . 1 1 89 89 PHE HA H 1 4.07 . . 1 . . . . . . . . 4285 1 954 . 1 1 89 89 PHE CA C 13 59.13 . . 1 . . . . . . . . 4285 1 955 . 1 1 89 89 PHE HB2 H 1 3.13 . . 1 . . . . . . . . 4285 1 956 . 1 1 89 89 PHE HB3 H 1 2.03 . . 1 . . . . . . . . 4285 1 957 . 1 1 89 89 PHE CB C 13 39.5 . . 1 . . . . . . . . 4285 1 958 . 1 1 89 89 PHE HD1 H 1 7.42 . . 1 . . . . . . . . 4285 1 959 . 1 1 89 89 PHE HD2 H 1 7.42 . . 1 . . . . . . . . 4285 1 960 . 1 1 89 89 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4285 1 961 . 1 1 89 89 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4285 1 962 . 1 1 90 90 PHE HA H 1 4.38 . . 1 . . . . . . . . 4285 1 963 . 1 1 90 90 PHE CA C 13 59.31 . . 1 . . . . . . . . 4285 1 964 . 1 1 90 90 PHE HB2 H 1 3.13 . . 1 . . . . . . . . 4285 1 965 . 1 1 90 90 PHE HB3 H 1 2.91 . . 1 . . . . . . . . 4285 1 966 . 1 1 90 90 PHE CB C 13 39.12 . . 1 . . . . . . . . 4285 1 967 . 1 1 91 91 TRP H H 1 7.4 . . 1 . . . . . . . . 4285 1 968 . 1 1 91 91 TRP N N 15 119.70 . . 1 . . . . . . . . 4285 1 969 . 1 1 91 91 TRP HA H 1 4.6 . . 1 . . . . . . . . 4285 1 970 . 1 1 91 91 TRP CA C 13 56.63 . . 1 . . . . . . . . 4285 1 971 . 1 1 91 91 TRP HB2 H 1 3.51 . . 1 . . . . . . . . 4285 1 972 . 1 1 91 91 TRP HB3 H 1 2.69 . . 1 . . . . . . . . 4285 1 973 . 1 1 91 91 TRP CB C 13 31.25 . . 1 . . . . . . . . 4285 1 974 . 1 1 91 91 TRP NE1 N 15 130.06 . . 1 . . . . . . . . 4285 1 975 . 1 1 92 92 GLU H H 1 7.73 . . 1 . . . . . . . . 4285 1 976 . 1 1 92 92 GLU N N 15 121.97 . . 1 . . . . . . . . 4285 1 977 . 1 1 92 92 GLU HA H 1 4.38 . . 1 . . . . . . . . 4285 1 978 . 1 1 92 92 GLU CA C 13 56.63 . . 1 . . . . . . . . 4285 1 979 . 1 1 92 92 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 4285 1 980 . 1 1 92 92 GLU CB C 13 30.37 . . 1 . . . . . . . . 4285 1 981 . 1 1 92 92 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4285 1 982 . 1 1 92 92 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4285 1 983 . 1 1 92 92 GLU CG C 13 36.12 . . 1 . . . . . . . . 4285 1 984 . 1 1 93 93 ASN H H 1 8.48 . . 1 . . . . . . . . 4285 1 985 . 1 1 93 93 ASN N N 15 121.13 . . 1 . . . . . . . . 4285 1 986 . 1 1 93 93 ASN HA H 1 4.82 . . 1 . . . . . . . . 4285 1 987 . 1 1 93 93 ASN CA C 13 53.5 . . 1 . . . . . . . . 4285 1 988 . 1 1 93 93 ASN HB2 H 1 2.91 . . 1 . . . . . . . . 4285 1 989 . 1 1 93 93 ASN HB3 H 1 2.74 . . 1 . . . . . . . . 4285 1 990 . 1 1 93 93 ASN CB C 13 39.12 . . 1 . . . . . . . . 4285 1 991 . 1 1 93 93 ASN HD21 H 1 7.50 . . 1 . . . . . . . . 4285 1 992 . 1 1 93 93 ASN HD22 H 1 6.84 . . 1 . . . . . . . . 4285 1 993 . 1 1 93 93 ASN ND2 N 15 113.31 . . 1 . . . . . . . . 4285 1 994 . 1 1 94 94 SER H H 1 7.83 . . 1 . . . . . . . . 4285 1 995 . 1 1 94 94 SER N N 15 122.14 . . 1 . . . . . . . . 4285 1 996 . 1 1 94 94 SER HA H 1 4.28 . . 1 . . . . . . . . 4285 1 997 . 1 1 94 94 SER CA C 13 60.06 . . 1 . . . . . . . . 4285 1 998 . 1 1 94 94 SER HB2 H 1 3.89 . . 2 . . . . . . . . 4285 1 999 . 1 1 94 94 SER CB C 13 65.03 . . 1 . . . . . . . . 4285 1 stop_ save_ save_assigned_chemical_shifts_minor_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_minor_one _Assigned_chem_shift_list.Entry_ID 4285 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 $sample_one . 4285 2 . . 2 $sample_two . 4285 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.4 . . 1 . . . . . . . . 4285 2 2 . 1 1 1 1 MET N N 15 128.88 . . 1 . . . . . . . . 4285 2 3 . 1 1 1 1 MET HA H 1 4.66 . . 1 . . . . . . . . 4285 2 4 . 1 1 1 1 MET CA C 13 54.13 . . 1 . . . . . . . . 4285 2 5 . 1 1 1 1 MET HB2 H 1 2.63 . . 2 . . . . . . . . 4285 2 6 . 1 1 1 1 MET CB C 13 33.5 . . 1 . . . . . . . . 4285 2 7 . 1 1 1 1 MET HG2 H 1 2.20 . . 1 . . . . . . . . 4285 2 8 . 1 1 1 1 MET HG3 H 1 2.03 . . 1 . . . . . . . . 4285 2 9 . 1 1 1 1 MET CG C 13 32.06 . . 1 . . . . . . . . 4285 2 10 . 1 1 3 3 SER H H 1 9.08 . . 1 . . . . . . . . 4285 2 11 . 1 1 3 3 SER N N 15 119.50 . . 1 . . . . . . . . 4285 2 12 . 1 1 3 3 SER HA H 1 4.66 . . 1 . . . . . . . . 4285 2 13 . 1 1 3 3 SER CA C 13 57.25 . . 1 . . . . . . . . 4285 2 14 . 1 1 3 3 SER HB2 H 1 4.55 . . 1 . . . . . . . . 4285 2 15 . 1 1 3 3 SER HB3 H 1 4.15 . . 1 . . . . . . . . 4285 2 16 . 1 1 3 3 SER CB C 13 65.38 . . 1 . . . . . . . . 4285 2 17 . 1 1 4 4 GLU H H 1 9.18 . . 1 . . . . . . . . 4285 2 18 . 1 1 4 4 GLU N N 15 123.50 . . 1 . . . . . . . . 4285 2 19 . 1 1 4 4 GLU HA H 1 4.17 . . 1 . . . . . . . . 4285 2 20 . 1 1 4 4 GLU CA C 13 60.69 . . 1 . . . . . . . . 4285 2 21 . 1 1 4 4 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 4285 2 22 . 1 1 4 4 GLU HB3 H 1 1.69 . . 1 . . . . . . . . 4285 2 23 . 1 1 4 4 GLU CB C 13 29.12 . . 1 . . . . . . . . 4285 2 24 . 1 1 4 4 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4285 2 25 . 1 1 4 4 GLU HG3 H 1 2.31 . . 1 . . . . . . . . 4285 2 26 . 1 1 4 4 GLU CG C 13 37.37 . . 1 . . . . . . . . 4285 2 27 . 1 1 6 6 GLU H H 1 7.84 . . 1 . . . . . . . . 4285 2 28 . 1 1 6 6 GLU N N 15 118.92 . . 1 . . . . . . . . 4285 2 29 . 1 1 6 6 GLU HA H 1 3.35 . . 1 . . . . . . . . 4285 2 30 . 1 1 6 6 GLU CA C 13 59.75 . . 1 . . . . . . . . 4285 2 31 . 1 1 6 6 GLU HB2 H 1 1.68 . . 1 . . . . . . . . 4285 2 32 . 1 1 6 6 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4285 2 33 . 1 1 6 6 GLU CB C 13 29.12 . . 1 . . . . . . . . 4285 2 34 . 1 1 6 6 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4285 2 35 . 1 1 6 6 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 4285 2 36 . 1 1 6 6 GLU CG C 13 37.37 . . 1 . . . . . . . . 4285 2 37 . 1 1 7 7 THR H H 1 8.48 . . 1 . . . . . . . . 4285 2 38 . 1 1 7 7 THR N N 15 116.71 . . 1 . . . . . . . . 4285 2 39 . 1 1 7 7 THR HA H 1 4.06 . . 1 . . . . . . . . 4285 2 40 . 1 1 7 7 THR CA C 13 66.94 . . 1 . . . . . . . . 4285 2 41 . 1 1 7 7 THR HB H 1 4.38 . . 1 . . . . . . . . 4285 2 42 . 1 1 7 7 THR CB C 13 69.13 . . 1 . . . . . . . . 4285 2 43 . 1 1 7 7 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4285 2 44 . 1 1 7 7 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4285 2 45 . 1 1 7 7 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4285 2 46 . 1 1 7 7 THR CG2 C 13 21.75 . . 1 . . . . . . . . 4285 2 47 . 1 1 11 11 THR H H 1 8.5 . . 1 . . . . . . . . 4285 2 48 . 1 1 11 11 THR N N 15 118.82 . . 1 . . . . . . . . 4285 2 49 . 1 1 11 11 THR HA H 1 4.11 . . 1 . . . . . . . . 4285 2 50 . 1 1 11 11 THR CA C 13 67.56 . . 1 . . . . . . . . 4285 2 51 . 1 1 11 11 THR HB H 1 4.66 . . 1 . . . . . . . . 4285 2 52 . 1 1 11 11 THR CB C 13 69.13 . . 1 . . . . . . . . 4285 2 53 . 1 1 11 11 THR HG21 H 1 1.27 . . 2 . . . . . . . . 4285 2 54 . 1 1 11 11 THR HG22 H 1 1.27 . . 2 . . . . . . . . 4285 2 55 . 1 1 11 11 THR HG23 H 1 1.27 . . 2 . . . . . . . . 4285 2 56 . 1 1 11 11 THR CG2 C 13 22.37 . . 1 . . . . . . . . 4285 2 57 . 1 1 41 41 GLU H H 1 9.01 . . 1 . . . . . . . . 4285 2 58 . 1 1 41 41 GLU N N 15 119.24 . . 1 . . . . . . . . 4285 2 59 . 1 1 41 41 GLU HA H 1 4.66 . . 1 . . . . . . . . 4285 2 60 . 1 1 41 41 GLU CA C 13 57.25 . . 1 . . . . . . . . 4285 2 61 . 1 1 41 41 GLU HB2 H 1 1.76 . . 1 . . . . . . . . 4285 2 62 . 1 1 41 41 GLU HB3 H 1 2.36 . . 1 . . . . . . . . 4285 2 63 . 1 1 41 41 GLU CB C 13 30.37 . . 1 . . . . . . . . 4285 2 64 . 1 1 41 41 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 4285 2 65 . 1 1 41 41 GLU HG3 H 1 2.56 . . 1 . . . . . . . . 4285 2 66 . 1 1 41 41 GLU CG C 13 36.12 . . 1 . . . . . . . . 4285 2 67 . 1 1 42 42 LEU H H 1 7.83 . . 1 . . . . . . . . 4285 2 68 . 1 1 42 42 LEU N N 15 121.08 . . 1 . . . . . . . . 4285 2 69 . 1 1 42 42 LEU HA H 1 5.1 . . 1 . . . . . . . . 4285 2 70 . 1 1 42 42 LEU CA C 13 53.5 . . 1 . . . . . . . . 4285 2 71 . 1 1 42 42 LEU HB2 H 1 2.03 . . 1 . . . . . . . . 4285 2 72 . 1 1 42 42 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 4285 2 73 . 1 1 42 42 LEU CB C 13 42.87 . . 1 . . . . . . . . 4285 2 74 . 1 1 42 42 LEU HG H 1 1.54 . . 1 . . . . . . . . 4285 2 75 . 1 1 42 42 LEU CG C 13 28.62 . . 1 . . . . . . . . 4285 2 76 . 1 1 42 42 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4285 2 77 . 1 1 42 42 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4285 2 78 . 1 1 42 42 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4285 2 79 . 1 1 42 42 LEU HD21 H 1 0.67 . . 1 . . . . . . . . 4285 2 80 . 1 1 42 42 LEU HD22 H 1 0.67 . . 1 . . . . . . . . 4285 2 81 . 1 1 42 42 LEU HD23 H 1 0.67 . . 1 . . . . . . . . 4285 2 82 . 1 1 42 42 LEU CD1 C 13 26.75 . . 1 . . . . . . . . 4285 2 83 . 1 1 42 42 LEU CD2 C 13 25.19 . . 1 . . . . . . . . 4285 2 84 . 1 1 43 43 SER H H 1 6.84 . . 1 . . . . . . . . 4285 2 85 . 1 1 43 43 SER N N 15 113.46 . . 1 . . . . . . . . 4285 2 86 . 1 1 43 43 SER HA H 1 3.95 . . 1 . . . . . . . . 4285 2 87 . 1 1 43 43 SER CA C 13 62.25 . . 1 . . . . . . . . 4285 2 88 . 1 1 43 43 SER HB2 H 1 3.89 . . 1 . . . . . . . . 4285 2 89 . 1 1 43 43 SER HB3 H 1 4.22 . . 1 . . . . . . . . 4285 2 90 . 1 1 43 43 SER CB C 13 63.57 . . 1 . . . . . . . . 4285 2 91 . 1 1 44 44 SER H H 1 9.34 . . 1 . . . . . . . . 4285 2 92 . 1 1 44 44 SER N N 15 121.07 . . 1 . . . . . . . . 4285 2 93 . 1 1 44 44 SER HA H 1 4.55 . . 1 . . . . . . . . 4285 2 94 . 1 1 44 44 SER CA C 13 62.25 . . 1 . . . . . . . . 4285 2 95 . 1 1 44 44 SER HB2 H 1 4.17 . . 1 . . . . . . . . 4285 2 96 . 1 1 44 44 SER HB3 H 1 4 . . 1 . . . . . . . . 4285 2 97 . 1 1 44 44 SER CB C 13 62 . . 1 . . . . . . . . 4285 2 98 . 1 1 45 45 PHE H H 1 8.06 . . 1 . . . . . . . . 4285 2 99 . 1 1 45 45 PHE N N 15 124.08 . . 1 . . . . . . . . 4285 2 100 . 1 1 45 45 PHE HA H 1 4.55 . . 1 . . . . . . . . 4285 2 101 . 1 1 45 45 PHE CA C 13 57.88 . . 1 . . . . . . . . 4285 2 102 . 1 1 45 45 PHE HB2 H 1 3.51 . . 1 . . . . . . . . 4285 2 103 . 1 1 45 45 PHE HB3 H 1 3.13 . . 1 . . . . . . . . 4285 2 104 . 1 1 45 45 PHE CB C 13 36.62 . . 1 . . . . . . . . 4285 2 105 . 1 1 45 45 PHE HD2 H 1 7.12 . . 1 . . . . . . . . 4285 2 106 . 1 1 45 45 PHE CD2 C 13 130.5 . . 1 . . . . . . . . 4285 2 107 . 1 1 45 45 PHE HZ H 1 7.27 . . 1 . . . . . . . . 4285 2 108 . 1 1 45 45 PHE CZ C 13 138.6 . . 1 . . . . . . . . 4285 2 109 . 1 1 46 46 LEU H H 1 8.41 . . 1 . . . . . . . . 4285 2 110 . 1 1 46 46 LEU N N 15 117.05 . . 1 . . . . . . . . 4285 2 111 . 1 1 46 46 LEU HA H 1 4.17 . . 1 . . . . . . . . 4285 2 112 . 1 1 46 46 LEU CA C 13 57.88 . . 1 . . . . . . . . 4285 2 113 . 1 1 46 46 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 4285 2 114 . 1 1 46 46 LEU HB3 H 1 1.54 . . 1 . . . . . . . . 4285 2 115 . 1 1 46 46 LEU CB C 13 41.31 . . 1 . . . . . . . . 4285 2 116 . 1 1 46 46 LEU HG H 1 1.89 . . 1 . . . . . . . . 4285 2 117 . 1 1 46 46 LEU CG C 13 27.06 . . 1 . . . . . . . . 4285 2 118 . 1 1 46 46 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4285 2 119 . 1 1 46 46 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4285 2 120 . 1 1 46 46 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4285 2 121 . 1 1 46 46 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 4285 2 122 . 1 1 46 46 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 4285 2 123 . 1 1 46 46 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 4285 2 124 . 1 1 46 46 LEU CD1 C 13 23.62 . . 1 . . . . . . . . 4285 2 125 . 1 1 46 46 LEU CD2 C 13 26.12 . . 1 . . . . . . . . 4285 2 126 . 1 1 87 87 ASN H H 1 8.33 . . 1 . . . . . . . . 4285 2 127 . 1 1 87 87 ASN N N 15 118.76 . . 1 . . . . . . . . 4285 2 128 . 1 1 87 87 ASN HA H 1 4.49 . . 1 . . . . . . . . 4285 2 129 . 1 1 87 87 ASN HB2 H 1 2.63 . . 1 . . . . . . . . 4285 2 130 . 1 1 87 87 ASN HB3 H 1 2.24 . . 1 . . . . . . . . 4285 2 131 . 1 1 94 94 SER H H 1 7.84 . . 1 . . . . . . . . 4285 2 132 . 1 1 94 94 SER N N 15 122.30 . . 1 . . . . . . . . 4285 2 133 . 1 1 94 94 SER HA H 1 4.28 . . 1 . . . . . . . . 4285 2 134 . 1 1 94 94 SER CA C 13 60.06 . . 1 . . . . . . . . 4285 2 135 . 1 1 94 94 SER HB2 H 1 3.89 . . 2 . . . . . . . . 4285 2 136 . 1 1 94 94 SER CB C 13 65.03 . . 1 . . . . . . . . 4285 2 stop_ save_ save_assigned_chemical_shifts_minor_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_minor_two _Assigned_chem_shift_list.Entry_ID 4285 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 $sample_one . 4285 3 . . 2 $sample_two . 4285 3 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 SER H H 1 9.47 . . 1 . . . . . . . . 4285 3 2 . 1 1 3 3 SER N N 15 119.88 . . 1 . . . . . . . . 4285 3 3 . 1 1 3 3 SER HA H 1 4.66 . . 1 . . . . . . . . 4285 3 4 . 1 1 3 3 SER CA C 13 57.25 . . 1 . . . . . . . . 4285 3 5 . 1 1 3 3 SER HB2 H 1 4.55 . . 1 . . . . . . . . 4285 3 6 . 1 1 3 3 SER HB3 H 1 4.15 . . 1 . . . . . . . . 4285 3 7 . 1 1 3 3 SER CB C 13 65.38 . . 1 . . . . . . . . 4285 3 8 . 1 1 7 7 THR H H 1 8.45 . . 1 . . . . . . . . 4285 3 9 . 1 1 7 7 THR N N 15 116.15 . . 1 . . . . . . . . 4285 3 10 . 1 1 7 7 THR HA H 1 4.06 . . 1 . . . . . . . . 4285 3 11 . 1 1 7 7 THR CA C 13 66.94 . . 1 . . . . . . . . 4285 3 12 . 1 1 7 7 THR HB H 1 4.38 . . 1 . . . . . . . . 4285 3 13 . 1 1 7 7 THR CB C 13 69.13 . . 1 . . . . . . . . 4285 3 14 . 1 1 7 7 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4285 3 15 . 1 1 7 7 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4285 3 16 . 1 1 7 7 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4285 3 17 . 1 1 7 7 THR CG2 C 13 21.75 . . 1 . . . . . . . . 4285 3 stop_ save_