data_25118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25118 _Entry.Title ; Chemical shift assignments for human cardiac troponin I, residues 1-73 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-31 _Entry.Accession_date 2014-07-31 _Entry.Last_release_date 2014-09-03 _Entry.Original_release_date 2014-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Hwang . . . 25118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 300 25118 '13C chemical shifts' 227 25118 '15N chemical shifts' 66 25118 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 . . 2014-09-03 2014-07-31 original author . 25118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25119 cTnI[1-73]-cTnC 25118 BMRB 25120 cTnC-cTnI[1-73]-cTnI[144-163] 25118 stop_ save_ ############### # Citations # ############### save_free_cTnI _Citation.Sf_category citations _Citation.Sf_framecode free_cTnI _Citation.Entry_ID 25118 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The intrinsically disordered cardiac-specific N-terminal region of troponin I positions the regulatory domain of troponin C' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Peter Hwang . . . 25118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25118 _Assembly.ID 1 _Assembly.Name cTnI[1-73] _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cTnI[1-73] 1 $cTnI_1-73 A . yes native no no . . . 25118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cTnI_1-73 _Entity.Sf_category entity _Entity.Sf_framecode cTnI_1-73 _Entity.Entry_ID 25118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cTnI[1-73] _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 ; LADGSSDAAREPRPAPAPIR RRSSNYRAYATEPHAKKKSK ISASRKLQLKTLLLQIAKQE LEREAEERRGEKGRHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 25119 . cTnI[1-73] . . . . . 100.00 80 100.00 100.00 5.84e-47 . . . . 25118 1 2 no DBJ BAD97171 . "troponin I, cardiac variant [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 3 no EMBL CAA38102 . "unnamed protein product [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.28e-41 . . . . 25118 1 4 no EMBL CAA62301 . "cardiac troponin I [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 5 no EMBL CAG46782 . "TNNI3 [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 6 no EMBL CAG46809 . "TNNI3 [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 5.34e-41 . . . . 25118 1 7 no GB AAA16157 . "cardiac troponin I [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 8 no GB AAH96165 . "Troponin I type 3 (cardiac) [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 9 no GB AAH96166 . "Troponin I type 3 (cardiac) [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 10 no GB AAH96167 . "Troponin I type 3 (cardiac) [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 11 no GB AAH99631 . "Troponin I type 3 (cardiac) [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 12 no PRF 1616225A . "troponin I" . . . . . 92.50 210 98.65 100.00 6.28e-41 . . . . 25118 1 13 no REF NP_000354 . "troponin I, cardiac muscle [Homo sapiens]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 14 no REF XP_003807165 . "PREDICTED: troponin I, cardiac muscle [Pan paniscus]" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 1 15 no REF XP_004061509 . "PREDICTED: troponin I, cardiac muscle [Gorilla gorilla gorilla]" . . . . . 92.50 171 97.30 98.65 5.97e-39 . . . . 25118 1 16 no REF XP_009434690 . "PREDICTED: troponin I, cardiac muscle [Pan troglodytes]" . . . . . 87.50 239 100.00 100.00 8.21e-37 . . . . 25118 1 17 no SP P19429 . "RecName: Full=Troponin I, cardiac muscle; AltName: Full=Cardiac troponin I" . . . . . 92.50 210 98.65 100.00 6.02e-41 . . . . 25118 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 1 LEU . 25118 1 2 2 ALA . 25118 1 3 3 ASP . 25118 1 4 4 GLY . 25118 1 5 5 SER . 25118 1 6 6 SER . 25118 1 7 7 ASP . 25118 1 8 8 ALA . 25118 1 9 9 ALA . 25118 1 10 10 ARG . 25118 1 11 11 GLU . 25118 1 12 12 PRO . 25118 1 13 13 ARG . 25118 1 14 14 PRO . 25118 1 15 15 ALA . 25118 1 16 16 PRO . 25118 1 17 17 ALA . 25118 1 18 18 PRO . 25118 1 19 19 ILE . 25118 1 20 20 ARG . 25118 1 21 21 ARG . 25118 1 22 22 ARG . 25118 1 23 23 SER . 25118 1 24 24 SER . 25118 1 25 25 ASN . 25118 1 26 26 TYR . 25118 1 27 27 ARG . 25118 1 28 28 ALA . 25118 1 29 29 TYR . 25118 1 30 30 ALA . 25118 1 31 31 THR . 25118 1 32 32 GLU . 25118 1 33 33 PRO . 25118 1 34 34 HIS . 25118 1 35 35 ALA . 25118 1 36 36 LYS . 25118 1 37 37 LYS . 25118 1 38 38 LYS . 25118 1 39 39 SER . 25118 1 40 40 LYS . 25118 1 41 41 ILE . 25118 1 42 42 SER . 25118 1 43 43 ALA . 25118 1 44 44 SER . 25118 1 45 45 ARG . 25118 1 46 46 LYS . 25118 1 47 47 LEU . 25118 1 48 48 GLN . 25118 1 49 49 LEU . 25118 1 50 50 LYS . 25118 1 51 51 THR . 25118 1 52 52 LEU . 25118 1 53 53 LEU . 25118 1 54 54 LEU . 25118 1 55 55 GLN . 25118 1 56 56 ILE . 25118 1 57 57 ALA . 25118 1 58 58 LYS . 25118 1 59 59 GLN . 25118 1 60 60 GLU . 25118 1 61 61 LEU . 25118 1 62 62 GLU . 25118 1 63 63 ARG . 25118 1 64 64 GLU . 25118 1 65 65 ALA . 25118 1 66 66 GLU . 25118 1 67 67 GLU . 25118 1 68 68 ARG . 25118 1 69 69 ARG . 25118 1 70 70 GLY . 25118 1 71 71 GLU . 25118 1 72 72 LYS . 25118 1 73 73 GLY . 25118 1 74 74 ARG . 25118 1 75 75 HIS . 25118 1 76 76 HIS . 25118 1 77 77 HIS . 25118 1 78 78 HIS . 25118 1 79 79 HIS . 25118 1 80 80 HIS . 25118 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 . LEU 1 1 25118 1 . ALA 2 2 25118 1 . ASP 3 3 25118 1 . GLY 4 4 25118 1 . SER 5 5 25118 1 . SER 6 6 25118 1 . ASP 7 7 25118 1 . ALA 8 8 25118 1 . ALA 9 9 25118 1 . ARG 10 10 25118 1 . GLU 11 11 25118 1 . PRO 12 12 25118 1 . ARG 13 13 25118 1 . PRO 14 14 25118 1 . ALA 15 15 25118 1 . PRO 16 16 25118 1 . ALA 17 17 25118 1 . PRO 18 18 25118 1 . ILE 19 19 25118 1 . ARG 20 20 25118 1 . ARG 21 21 25118 1 . ARG 22 22 25118 1 . SER 23 23 25118 1 . SER 24 24 25118 1 . ASN 25 25 25118 1 . TYR 26 26 25118 1 . ARG 27 27 25118 1 . ALA 28 28 25118 1 . TYR 29 29 25118 1 . ALA 30 30 25118 1 . THR 31 31 25118 1 . GLU 32 32 25118 1 . PRO 33 33 25118 1 . HIS 34 34 25118 1 . ALA 35 35 25118 1 . LYS 36 36 25118 1 . LYS 37 37 25118 1 . LYS 38 38 25118 1 . SER 39 39 25118 1 . LYS 40 40 25118 1 . ILE 41 41 25118 1 . SER 42 42 25118 1 . ALA 43 43 25118 1 . SER 44 44 25118 1 . ARG 45 45 25118 1 . LYS 46 46 25118 1 . LEU 47 47 25118 1 . GLN 48 48 25118 1 . LEU 49 49 25118 1 . LYS 50 50 25118 1 . THR 51 51 25118 1 . LEU 52 52 25118 1 . LEU 53 53 25118 1 . LEU 54 54 25118 1 . GLN 55 55 25118 1 . ILE 56 56 25118 1 . ALA 57 57 25118 1 . LYS 58 58 25118 1 . GLN 59 59 25118 1 . GLU 60 60 25118 1 . LEU 61 61 25118 1 . GLU 62 62 25118 1 . ARG 63 63 25118 1 . GLU 64 64 25118 1 . ALA 65 65 25118 1 . GLU 66 66 25118 1 . GLU 67 67 25118 1 . ARG 68 68 25118 1 . ARG 69 69 25118 1 . GLY 70 70 25118 1 . GLU 71 71 25118 1 . LYS 72 72 25118 1 . GLY 73 73 25118 1 . ARG 74 74 25118 1 . HIS 75 75 25118 1 . HIS 76 76 25118 1 . HIS 77 77 25118 1 . HIS 78 78 25118 1 . HIS 79 79 25118 1 . HIS 80 80 25118 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 25118 _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 $cTnI_1-73 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25118 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 25118 _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 $cTnI_1-73 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-PagP . . . . . . 25118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cTnI[1-73] '[U-100% 13C; U-100% 15N]' . . 1 $cTnI_1-73 . . 0.5 . . mM . . . . 25118 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25118 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25118 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25118 _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 temperature 313 . K 25118 1 pH 6.2 . pH 25118 1 pressure 1 . atm 25118 1 'ionic strength' 0.12 . M 25118 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25118 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25118 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25118 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25118 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25118 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 25118 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25118 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25118 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25118 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details DSS loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25118 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25118 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25118 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25118 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25118 1 2 '3D 1H-13C NOESY' . . . 25118 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU HA H 1 4.408 . . 1 . . . . 1 l HA . 25118 1 2 . 1 1 1 1 LEU HB2 H 1 1.628 . . 2 . . . . 1 l HB2 . 25118 1 3 . 1 1 1 1 LEU HD11 H 1 0.931 . . 2 . . . . 1 l HD11 . 25118 1 4 . 1 1 1 1 LEU HD12 H 1 0.931 . . 2 . . . . 1 l HD12 . 25118 1 5 . 1 1 1 1 LEU HD13 H 1 0.931 . . 2 . . . . 1 l HD13 . 25118 1 6 . 1 1 1 1 LEU CA C 13 53.959 . . 1 . . . . 1 l CA . 25118 1 7 . 1 1 1 1 LEU CB C 13 42.824 . . 1 . . . . 1 l CB . 25118 1 8 . 1 1 2 2 ALA H H 1 8.378 . . 1 . . . . 2 a HN . 25118 1 9 . 1 1 2 2 ALA HB1 H 1 1.427 . . 1 . . . . 2 a HB1 . 25118 1 10 . 1 1 2 2 ALA HB2 H 1 1.427 . . 1 . . . . 2 a HB2 . 25118 1 11 . 1 1 2 2 ALA HB3 H 1 1.427 . . 1 . . . . 2 a HB3 . 25118 1 12 . 1 1 2 2 ALA C C 13 177.437 . . 1 . . . . 2 a C . 25118 1 13 . 1 1 2 2 ALA CA C 13 52.618 . . 1 . . . . 2 a CA . 25118 1 14 . 1 1 2 2 ALA CB C 13 19.097 . . 1 . . . . 2 a CB . 25118 1 15 . 1 1 2 2 ALA N N 15 124.900 . . 1 . . . . 2 a N . 25118 1 16 . 1 1 3 3 ASP H H 1 8.285 . . 1 . . . . 3 d HN . 25118 1 17 . 1 1 3 3 ASP HA H 1 4.606 . . 1 . . . . 3 d HA . 25118 1 18 . 1 1 3 3 ASP HB2 H 1 2.715 . . 2 . . . . 3 d HB2 . 25118 1 19 . 1 1 3 3 ASP C C 13 176.883 . . 9 . . . . 3 d C . 25118 1 20 . 1 1 3 3 ASP CA C 13 54.391 . . 1 . . . . 3 d CA . 25118 1 21 . 1 1 3 3 ASP CB C 13 41.340 . . 1 . . . . 3 d CB . 25118 1 22 . 1 1 3 3 ASP N N 15 120.165 . . 1 . . . . 3 d N . 25118 1 23 . 1 1 4 4 GLY H H 1 8.372 . . 1 . . . . 4 g HN . 25118 1 24 . 1 1 4 4 GLY HA2 H 1 4.017 . . 2 . . . . 4 g HA2 . 25118 1 25 . 1 1 4 4 GLY C C 13 174.650 . . 1 . . . . 4 g C . 25118 1 26 . 1 1 4 4 GLY CA C 13 45.690 . . 1 . . . . 4 g CA . 25118 1 27 . 1 1 4 4 GLY N N 15 109.617 . . 1 . . . . 4 g N . 25118 1 28 . 1 1 5 5 SER H H 1 8.217 . . 1 . . . . 5 s HN . 25118 1 29 . 1 1 5 5 SER HA H 1 4.494 . . 1 . . . . 5 s HA . 25118 1 30 . 1 1 5 5 SER HB2 H 1 3.928 . . 2 . . . . 5 s HB2 . 25118 1 31 . 1 1 5 5 SER C C 13 174.926 . . 1 . . . . 5 s C . 25118 1 32 . 1 1 5 5 SER CA C 13 58.779 . . 1 . . . . 5 s CA . 25118 1 33 . 1 1 5 5 SER CB C 13 64.001 . . 1 . . . . 5 s CB . 25118 1 34 . 1 1 5 5 SER N N 15 115.795 . . 1 . . . . 5 s N . 25118 1 35 . 1 1 6 6 SER H H 1 8.338 . . 1 . . . . 6 s HN . 25118 1 36 . 1 1 6 6 SER HA H 1 4.503 . . 1 . . . . 6 s HA . 25118 1 37 . 1 1 6 6 SER HB2 H 1 3.917 . . 2 . . . . 6 s HB2 . 25118 1 38 . 1 1 6 6 SER C C 13 174.511 . . 1 . . . . 6 s C . 25118 1 39 . 1 1 6 6 SER CA C 13 58.628 . . 1 . . . . 6 s CA . 25118 1 40 . 1 1 6 6 SER CB C 13 63.950 . . 1 . . . . 6 s CB . 25118 1 41 . 1 1 6 6 SER N N 15 117.527 . . 1 . . . . 6 s N . 25118 1 42 . 1 1 7 7 ASP H H 1 8.262 . . 1 . . . . 7 d HN . 25118 1 43 . 1 1 7 7 ASP HA H 1 4.601 . . 1 . . . . 7 d HA . 25118 1 44 . 1 1 7 7 ASP HB2 H 1 2.640 . . 2 . . . . 7 d HB2 . 25118 1 45 . 1 1 7 7 ASP HB3 H 1 2.711 . . 2 . . . . 7 d HB3 . 25118 1 46 . 1 1 7 7 ASP C C 13 176.276 . . 1 . . . . 7 d C . 25118 1 47 . 1 1 7 7 ASP CA C 13 54.719 . . 1 . . . . 7 d CA . 25118 1 48 . 1 1 7 7 ASP CB C 13 41.220 . . 1 . . . . 7 d CB . 25118 1 49 . 1 1 7 7 ASP N N 15 122.378 . . 1 . . . . 7 d N . 25118 1 50 . 1 1 8 8 ALA H H 1 8.063 . . 1 . . . . 8 a HN . 25118 1 51 . 1 1 8 8 ALA HB1 H 1 1.400 . . 1 . . . . 8 a HB1 . 25118 1 52 . 1 1 8 8 ALA HB2 H 1 1.400 . . 1 . . . . 8 a HB2 . 25118 1 53 . 1 1 8 8 ALA HB3 H 1 1.400 . . 1 . . . . 8 a HB3 . 25118 1 54 . 1 1 8 8 ALA C C 13 177.681 . . 1 . . . . 8 a C . 25118 1 55 . 1 1 8 8 ALA CA C 13 52.997 . . 1 . . . . 8 a CA . 25118 1 56 . 1 1 8 8 ALA CB C 13 19.168 . . 1 . . . . 8 a CB . 25118 1 57 . 1 1 8 8 ALA N N 15 123.972 . . 1 . . . . 8 a N . 25118 1 58 . 1 1 9 9 ALA H H 1 8.065 . . 1 . . . . 9 a HN . 25118 1 59 . 1 1 9 9 ALA HA H 1 3.949 . . 1 . . . . 9 a HA . 25118 1 60 . 1 1 9 9 ALA HB1 H 1 1.400 . . 1 . . . . 9 a HB1 . 25118 1 61 . 1 1 9 9 ALA HB2 H 1 1.400 . . 1 . . . . 9 a HB2 . 25118 1 62 . 1 1 9 9 ALA HB3 H 1 1.400 . . 1 . . . . 9 a HB3 . 25118 1 63 . 1 1 9 9 ALA C C 13 177.692 . . 1 . . . . 9 a C . 25118 1 64 . 1 1 9 9 ALA CA C 13 52.643 . . 1 . . . . 9 a CA . 25118 1 65 . 1 1 9 9 ALA CB C 13 19.121 . . 1 . . . . 9 a CB . 25118 1 66 . 1 1 9 9 ALA N N 15 122.002 . . 1 . . . . 9 a N . 25118 1 67 . 1 1 10 10 ARG H H 1 7.993 . . 1 . . . . 10 r HN . 25118 1 68 . 1 1 10 10 ARG HA H 1 4.331 . . 1 . . . . 10 r HA . 25118 1 69 . 1 1 10 10 ARG HB2 H 1 1.885 . . 2 . . . . 10 r HB2 . 25118 1 70 . 1 1 10 10 ARG HB3 H 1 1.773 . . 2 . . . . 10 r HB3 . 25118 1 71 . 1 1 10 10 ARG HG2 H 1 1.651 . . 2 . . . . 10 r HG2 . 25118 1 72 . 1 1 10 10 ARG HD2 H 1 3.226 . . 2 . . . . 10 r HD2 . 25118 1 73 . 1 1 10 10 ARG C C 13 176.018 . . 1 . . . . 10 r C . 25118 1 74 . 1 1 10 10 ARG CA C 13 55.977 . . 1 . . . . 10 r CA . 25118 1 75 . 1 1 10 10 ARG CB C 13 31.045 . . 1 . . . . 10 r CB . 25118 1 76 . 1 1 10 10 ARG CG C 13 27.255 . . 1 . . . . 10 r CG . 25118 1 77 . 1 1 10 10 ARG CD C 13 43.350 . . 1 . . . . 10 r CD . 25118 1 78 . 1 1 10 10 ARG N N 15 119.389 . . 1 . . . . 10 r N . 25118 1 79 . 1 1 11 11 GLU H H 1 8.151 . . 1 . . . . 11 e HN . 25118 1 80 . 1 1 11 11 GLU C C 13 174.384 . . 1 . . . . 11 e C . 25118 1 81 . 1 1 11 11 GLU CA C 13 54.344 . . 1 . . . . 11 e CA . 25118 1 82 . 1 1 11 11 GLU CB C 13 29.918 . . 1 . . . . 11 e CB . 25118 1 83 . 1 1 11 11 GLU N N 15 122.671 . . 1 . . . . 11 e N . 25118 1 84 . 1 1 12 12 PRO HA H 1 4.439 . . 1 . . . . 12 p HA . 25118 1 85 . 1 1 12 12 PRO HB2 H 1 1.916 . . 2 . . . . 12 p HB2 . 25118 1 86 . 1 1 12 12 PRO HB3 H 1 2.272 . . 2 . . . . 12 p HB3 . 25118 1 87 . 1 1 12 12 PRO HG2 H 1 2.033 . . 2 . . . . 12 p HG2 . 25118 1 88 . 1 1 12 12 PRO HD2 H 1 3.706 . . 2 . . . . 12 p HD2 . 25118 1 89 . 1 1 12 12 PRO HD3 H 1 3.812 . . 2 . . . . 12 p HD3 . 25118 1 90 . 1 1 12 12 PRO C C 13 176.622 . . 1 . . . . 12 p C . 25118 1 91 . 1 1 12 12 PRO CA C 13 63.136 . . 1 . . . . 12 p CA . 25118 1 92 . 1 1 12 12 PRO CB C 13 32.071 . . 1 . . . . 12 p CB . 25118 1 93 . 1 1 12 12 PRO CG C 13 27.565 . . 1 . . . . 12 p CG . 25118 1 94 . 1 1 12 12 PRO CD C 13 50.650 . . 1 . . . . 12 p CD . 25118 1 95 . 1 1 13 13 ARG H H 1 8.272 . . 1 . . . . 13 r HN . 25118 1 96 . 1 1 13 13 ARG C C 13 174.175 . . 1 . . . . 13 r C . 25118 1 97 . 1 1 13 13 ARG CA C 13 53.742 . . 1 . . . . 13 r CA . 25118 1 98 . 1 1 13 13 ARG CB C 13 30.505 . . 1 . . . . 13 r CB . 25118 1 99 . 1 1 13 13 ARG N N 15 122.065 . . 1 . . . . 13 r N . 25118 1 100 . 1 1 14 14 PRO HA H 1 4.422 . . 1 . . . . 14 p HA . 25118 1 101 . 1 1 14 14 PRO HB2 H 1 1.908 . . 2 . . . . 14 p HB2 . 25118 1 102 . 1 1 14 14 PRO HB3 H 1 2.284 . . 2 . . . . 14 p HB3 . 25118 1 103 . 1 1 14 14 PRO HG2 H 1 2.025 . . 2 . . . . 14 p HG2 . 25118 1 104 . 1 1 14 14 PRO HD2 H 1 3.625 . . 2 . . . . 14 p HD2 . 25118 1 105 . 1 1 14 14 PRO HD3 H 1 3.802 . . 2 . . . . 14 p HD3 . 25118 1 106 . 1 1 14 14 PRO C C 13 176.215 . . 1 . . . . 14 p C . 25118 1 107 . 1 1 14 14 PRO CA C 13 62.963 . . 1 . . . . 14 p CA . 25118 1 108 . 1 1 14 14 PRO CB C 13 32.138 . . 1 . . . . 14 p CB . 25118 1 109 . 1 1 14 14 PRO CG C 13 27.428 . . 1 . . . . 14 p CG . 25118 1 110 . 1 1 14 14 PRO CD C 13 50.556 . . 1 . . . . 14 p CD . 25118 1 111 . 1 1 15 15 ALA H H 1 8.279 . . 1 . . . . 15 a HN . 25118 1 112 . 1 1 15 15 ALA C C 13 175.514 . . 1 . . . . 15 a C . 25118 1 113 . 1 1 15 15 ALA CA C 13 50.383 . . 1 . . . . 15 a CA . 25118 1 114 . 1 1 15 15 ALA CB C 13 18.314 . . 1 . . . . 15 a CB . 25118 1 115 . 1 1 15 15 ALA N N 15 125.683 . . 1 . . . . 15 a N . 25118 1 116 . 1 1 16 16 PRO HA H 1 4.414 . . 1 . . . . 16 p HA . 25118 1 117 . 1 1 16 16 PRO HB2 H 1 1.905 . . 2 . . . . 16 p HB2 . 25118 1 118 . 1 1 16 16 PRO HB3 H 1 2.283 . . 2 . . . . 16 p HB3 . 25118 1 119 . 1 1 16 16 PRO HG2 H 1 2.142 . . 2 . . . . 16 p HG2 . 25118 1 120 . 1 1 16 16 PRO HD2 H 1 3.649 . . 2 . . . . 16 p HD2 . 25118 1 121 . 1 1 16 16 PRO HD3 H 1 3.785 . . 2 . . . . 16 p HD3 . 25118 1 122 . 1 1 16 16 PRO C C 13 176.282 . . 1 . . . . 16 p C . 25118 1 123 . 1 1 16 16 PRO CA C 13 62.869 . . 1 . . . . 16 p CA . 25118 1 124 . 1 1 16 16 PRO CB C 13 32.084 . . 1 . . . . 16 p CB . 25118 1 125 . 1 1 16 16 PRO CG C 13 27.487 . . 1 . . . . 16 p CG . 25118 1 126 . 1 1 16 16 PRO CD C 13 50.434 . . 1 . . . . 16 p CD . 25118 1 127 . 1 1 17 17 ALA H H 1 8.212 . . 1 . . . . 17 a HN . 25118 1 128 . 1 1 17 17 ALA C C 13 175.726 . . 1 . . . . 17 a C . 25118 1 129 . 1 1 17 17 ALA CA C 13 50.552 . . 1 . . . . 17 a CA . 25118 1 130 . 1 1 17 17 ALA CB C 13 18.330 . . 1 . . . . 17 a CB . 25118 1 131 . 1 1 17 17 ALA N N 15 125.384 . . 1 . . . . 17 a N . 25118 1 132 . 1 1 18 18 PRO HA H 1 4.445 . . 1 . . . . 18 p HA . 25118 1 133 . 1 1 18 18 PRO HG2 H 1 2.026 . . 2 . . . . 18 p HG2 . 25118 1 134 . 1 1 18 18 PRO HD2 H 1 3.647 . . 2 . . . . 18 p HD2 . 25118 1 135 . 1 1 18 18 PRO HD3 H 1 3.805 . . 2 . . . . 18 p HD3 . 25118 1 136 . 1 1 18 18 PRO CA C 13 63.074 . . 1 . . . . 18 p CA . 25118 1 137 . 1 1 18 18 PRO CB C 13 32.000 . . 1 . . . . 18 p CB . 25118 1 138 . 1 1 18 18 PRO CG C 13 27.499 . . 1 . . . . 18 p CG . 25118 1 139 . 1 1 18 18 PRO CD C 13 50.462 . . 1 . . . . 18 p CD . 25118 1 140 . 1 1 19 19 ILE H H 1 8.062 . . 1 . . . . 19 i HN . 25118 1 141 . 1 1 19 19 ILE HA H 1 4.120 . . 1 . . . . 19 i HA . 25118 1 142 . 1 1 19 19 ILE HB H 1 1.843 . . 1 . . . . 19 i HB . 25118 1 143 . 1 1 19 19 ILE C C 13 176.297 . . 1 . . . . 19 i C . 25118 1 144 . 1 1 19 19 ILE CA C 13 61.296 . . 1 . . . . 19 i CA . 25118 1 145 . 1 1 19 19 ILE CB C 13 38.779 . . 1 . . . . 19 i CB . 25118 1 146 . 1 1 19 19 ILE CG1 C 13 27.622 . . 1 . . . . 19 i CG1 . 25118 1 147 . 1 1 19 19 ILE CG2 C 13 17.502 . . 1 . . . . 19 i CG2 . 25118 1 148 . 1 1 19 19 ILE N N 15 120.734 . . 1 . . . . 19 i N . 25118 1 149 . 1 1 20 20 ARG H H 1 8.274 . . 1 . . . . 20 r HN . 25118 1 150 . 1 1 20 20 ARG HA H 1 4.377 . . 1 . . . . 20 r HA . 25118 1 151 . 1 1 20 20 ARG HG2 H 1 1.625 . . 2 . . . . 20 r HG2 . 25118 1 152 . 1 1 20 20 ARG HD2 H 1 3.208 . . 2 . . . . 20 r HD2 . 25118 1 153 . 1 1 20 20 ARG C C 13 176.310 . . 1 . . . . 20 r C . 25118 1 154 . 1 1 20 20 ARG CA C 13 55.940 . . 1 . . . . 20 r CA . 25118 1 155 . 1 1 20 20 ARG CB C 13 30.924 . . 1 . . . . 20 r CB . 25118 1 156 . 1 1 20 20 ARG CG C 13 27.193 . . 1 . . . . 20 r CG . 25118 1 157 . 1 1 20 20 ARG CD C 13 32.499 . . 1 . . . . 20 r CD . 25118 1 158 . 1 1 20 20 ARG N N 15 125.105 . . 1 . . . . 20 r N . 25118 1 159 . 1 1 21 21 ARG H H 1 8.267 . . 1 . . . . 21 r HN . 25118 1 160 . 1 1 21 21 ARG HA H 1 4.340 . . 1 . . . . 21 r HA . 25118 1 161 . 1 1 21 21 ARG HB2 H 1 1.830 . . 2 . . . . 21 r HB2 . 25118 1 162 . 1 1 21 21 ARG HG2 H 1 1.631 . . 2 . . . . 21 r HG2 . 25118 1 163 . 1 1 21 21 ARG HD2 H 1 3.195 . . 2 . . . . 21 r HD2 . 25118 1 164 . 1 1 21 21 ARG C C 13 176.106 . . 1 . . . . 21 r C . 25118 1 165 . 1 1 21 21 ARG CA C 13 56.042 . . 1 . . . . 21 r CA . 25118 1 166 . 1 1 21 21 ARG CB C 13 30.962 . . 1 . . . . 21 r CB . 25118 1 167 . 1 1 21 21 ARG CG C 13 27.328 . . 1 . . . . 21 r CG . 25118 1 168 . 1 1 21 21 ARG CD C 13 43.372 . . 1 . . . . 21 r CD . 25118 1 169 . 1 1 21 21 ARG N N 15 122.700 . . 1 . . . . 21 r N . 25118 1 170 . 1 1 22 22 ARG H H 1 8.350 . . 1 . . . . 22 r HN . 25118 1 171 . 1 1 22 22 ARG HA H 1 4.380 . . 1 . . . . 22 r HA . 25118 1 172 . 1 1 22 22 ARG HB2 H 1 1.792 . . 2 . . . . 22 r HB2 . 25118 1 173 . 1 1 22 22 ARG HB3 H 1 1.860 . . 2 . . . . 22 r HB3 . 25118 1 174 . 1 1 22 22 ARG HG2 H 1 1.648 . . 2 . . . . 22 r HG2 . 25118 1 175 . 1 1 22 22 ARG HD2 H 1 3.163 . . 2 . . . . 22 r HD2 . 25118 1 176 . 1 1 22 22 ARG C C 13 176.327 . . 1 . . . . 22 r C . 25118 1 177 . 1 1 22 22 ARG CA C 13 56.283 . . 1 . . . . 22 r CA . 25118 1 178 . 1 1 22 22 ARG CB C 13 31.070 . . 1 . . . . 22 r CB . 25118 1 179 . 1 1 22 22 ARG CG C 13 27.163 . . 1 . . . . 22 r CG . 25118 1 180 . 1 1 22 22 ARG CD C 13 43.332 . . 1 . . . . 22 r CD . 25118 1 181 . 1 1 22 22 ARG N N 15 122.604 . . 1 . . . . 22 r N . 25118 1 182 . 1 1 23 23 SER H H 1 8.297 . . 1 . . . . 23 s HN . 25118 1 183 . 1 1 23 23 SER C C 13 174.716 . . 1 . . . . 23 s C . 25118 1 184 . 1 1 23 23 SER CA C 13 58.317 . . 1 . . . . 23 s CA . 25118 1 185 . 1 1 23 23 SER CB C 13 64.000 . . 1 . . . . 23 s CB . 25118 1 186 . 1 1 23 23 SER N N 15 116.988 . . 1 . . . . 23 s N . 25118 1 187 . 1 1 24 24 SER HB2 H 1 3.882 . . 2 . . . . 24 s HB2 . 25118 1 188 . 1 1 24 24 SER C C 13 174.854 . . 9 . . . . 24 s C . 25118 1 189 . 1 1 24 24 SER CA C 13 58.357 . . 1 . . . . 24 s CA . 25118 1 190 . 1 1 24 24 SER CB C 13 63.984 . . 1 . . . . 24 s CB . 25118 1 191 . 1 1 25 25 ASN H H 1 8.292 . . 1 . . . . 25 n HN . 25118 1 192 . 1 1 25 25 ASN HA H 1 4.720 . . 1 . . . . 25 n HA . 25118 1 193 . 1 1 25 25 ASN HB2 H 1 2.720 . . 2 . . . . 25 n HB2 . 25118 1 194 . 1 1 25 25 ASN HB3 H 1 2.800 . . 2 . . . . 25 n HB3 . 25118 1 195 . 1 1 25 25 ASN C C 13 174.837 . . 1 . . . . 25 n C . 25118 1 196 . 1 1 25 25 ASN CA C 13 53.294 . . 1 . . . . 25 n CA . 25118 1 197 . 1 1 25 25 ASN CB C 13 38.839 . . 1 . . . . 25 n CB . 25118 1 198 . 1 1 25 25 ASN N N 15 120.085 . . 1 . . . . 25 n N . 25118 1 199 . 1 1 26 26 TYR H H 1 7.964 . . 1 . . . . 26 y HN . 25118 1 200 . 1 1 26 26 TYR HA H 1 4.485 . . 1 . . . . 26 y HA . 25118 1 201 . 1 1 26 26 TYR HB2 H 1 3.014 . . 2 . . . . 26 y HB2 . 25118 1 202 . 1 1 26 26 TYR C C 13 175.526 . . 1 . . . . 26 y C . 25118 1 203 . 1 1 26 26 TYR CA C 13 58.457 . . 1 . . . . 26 y CA . 25118 1 204 . 1 1 26 26 TYR CB C 13 38.767 . . 1 . . . . 26 y CB . 25118 1 205 . 1 1 26 26 TYR N N 15 120.814 . . 1 . . . . 26 y N . 25118 1 206 . 1 1 27 27 ARG H H 1 7.949 . . 1 . . . . 27 r HN . 25118 1 207 . 1 1 27 27 ARG HA H 1 4.191 . . 1 . . . . 27 r HA . 25118 1 208 . 1 1 27 27 ARG HB2 H 1 1.671 . . 2 . . . . 27 r HB2 . 25118 1 209 . 1 1 27 27 ARG HG2 H 1 1.480 . . 2 . . . . 27 r HG2 . 25118 1 210 . 1 1 27 27 ARG HD2 H 1 3.149 . . 2 . . . . 27 r HD2 . 25118 1 211 . 1 1 27 27 ARG C C 13 175.321 . . 1 . . . . 27 r C . 25118 1 212 . 1 1 27 27 ARG CA C 13 55.885 . . 1 . . . . 27 r CA . 25118 1 213 . 1 1 27 27 ARG CB C 13 30.921 . . 1 . . . . 27 r CB . 25118 1 214 . 1 1 27 27 ARG CG C 13 27.067 . . 1 . . . . 27 r CG . 25118 1 215 . 1 1 27 27 ARG CD C 13 43.312 . . 1 . . . . 27 r CD . 25118 1 216 . 1 1 27 27 ARG N N 15 123.222 . . 1 . . . . 27 r N . 25118 1 217 . 1 1 28 28 ALA H H 1 7.980 . . 1 . . . . 28 a HN . 25118 1 218 . 1 1 28 28 ALA HA H 1 4.200 . . 1 . . . . 28 a HA . 25118 1 219 . 1 1 28 28 ALA HB1 H 1 1.299 . . 1 . . . . 28 a HB1 . 25118 1 220 . 1 1 28 28 ALA HB2 H 1 1.299 . . 1 . . . . 28 a HB2 . 25118 1 221 . 1 1 28 28 ALA HB3 H 1 1.299 . . 1 . . . . 28 a HB3 . 25118 1 222 . 1 1 28 28 ALA C C 13 177.223 . . 1 . . . . 28 a C . 25118 1 223 . 1 1 28 28 ALA CA C 13 52.578 . . 1 . . . . 28 a CA . 25118 1 224 . 1 1 28 28 ALA CB C 13 19.252 . . 1 . . . . 28 a CB . 25118 1 225 . 1 1 28 28 ALA N N 15 124.679 . . 1 . . . . 28 a N . 25118 1 226 . 1 1 29 29 TYR H H 1 7.861 . . 1 . . . . 29 y HN . 25118 1 227 . 1 1 29 29 TYR HA H 1 4.630 . . 1 . . . . 29 y HA . 25118 1 228 . 1 1 29 29 TYR HB2 H 1 3.075 . . 2 . . . . 29 y HB2 . 25118 1 229 . 1 1 29 29 TYR HB3 H 1 2.950 . . 2 . . . . 29 y HB3 . 25118 1 230 . 1 1 29 29 TYR C C 13 175.492 . . 1 . . . . 29 y C . 25118 1 231 . 1 1 29 29 TYR CA C 13 57.610 . . 1 . . . . 29 y CA . 25118 1 232 . 1 1 29 29 TYR CB C 13 38.881 . . 1 . . . . 29 y CB . 25118 1 233 . 1 1 29 29 TYR N N 15 118.464 . . 1 . . . . 29 y N . 25118 1 234 . 1 1 30 30 ALA H H 1 8.074 . . 1 . . . . 30 a HN . 25118 1 235 . 1 1 30 30 ALA HA H 1 4.378 . . 1 . . . . 30 a HA . 25118 1 236 . 1 1 30 30 ALA HB1 H 1 1.211 . . 1 . . . . 30 a HB1 . 25118 1 237 . 1 1 30 30 ALA HB2 H 1 1.211 . . 1 . . . . 30 a HB2 . 25118 1 238 . 1 1 30 30 ALA HB3 H 1 1.211 . . 1 . . . . 30 a HB3 . 25118 1 239 . 1 1 30 30 ALA C C 13 177.463 . . 1 . . . . 30 a C . 25118 1 240 . 1 1 30 30 ALA CA C 13 52.563 . . 1 . . . . 30 a CA . 25118 1 241 . 1 1 30 30 ALA CB C 13 19.594 . . 1 . . . . 30 a CB . 25118 1 242 . 1 1 30 30 ALA N N 15 124.862 . . 1 . . . . 30 a N . 25118 1 243 . 1 1 31 31 THR H H 1 7.934 . . 1 . . . . 31 t HN . 25118 1 244 . 1 1 31 31 THR HA H 1 4.325 . . 1 . . . . 31 t HA . 25118 1 245 . 1 1 31 31 THR HB H 1 4.213 . . 1 . . . . 31 t HB . 25118 1 246 . 1 1 31 31 THR HG21 H 1 1.208 . . 1 . . . . 31 t HG21 . 25118 1 247 . 1 1 31 31 THR HG22 H 1 1.208 . . 1 . . . . 31 t HG22 . 25118 1 248 . 1 1 31 31 THR HG23 H 1 1.208 . . 1 . . . . 31 t HG23 . 25118 1 249 . 1 1 31 31 THR C C 13 174.661 . . 1 . . . . 31 t C . 25118 1 250 . 1 1 31 31 THR CA C 13 61.664 . . 1 . . . . 31 t CA . 25118 1 251 . 1 1 31 31 THR CB C 13 69.939 . . 1 . . . . 31 t CB . 25118 1 252 . 1 1 31 31 THR N N 15 112.640 . . 1 . . . . 31 t N . 25118 1 253 . 1 1 32 32 GLU H H 1 8.246 . . 1 . . . . 32 e HN . 25118 1 254 . 1 1 32 32 GLU C C 13 174.661 . . 1 . . . . 32 e C . 25118 1 255 . 1 1 32 32 GLU CA C 13 54.573 . . 1 . . . . 32 e CA . 25118 1 256 . 1 1 32 32 GLU CB C 13 29.238 . . 1 . . . . 32 e CB . 25118 1 257 . 1 1 32 32 GLU N N 15 124.399 . . 1 . . . . 32 e N . 25118 1 258 . 1 1 33 33 PRO HA H 1 4.362 . . 1 . . . . 33 p HA . 25118 1 259 . 1 1 33 33 PRO HB2 H 1 2.240 . . 2 . . . . 33 p HB2 . 25118 1 260 . 1 1 33 33 PRO HB3 H 1 1.811 . . 2 . . . . 33 p HB3 . 25118 1 261 . 1 1 33 33 PRO HG2 H 1 1.980 . . 2 . . . . 33 p HG2 . 25118 1 262 . 1 1 33 33 PRO HD2 H 1 3.779 . . 2 . . . . 33 p HD2 . 25118 1 263 . 1 1 33 33 PRO C C 13 176.984 . . 1 . . . . 33 p C . 25118 1 264 . 1 1 33 33 PRO CA C 13 63.389 . . 1 . . . . 33 p CA . 25118 1 265 . 1 1 33 33 PRO CB C 13 31.982 . . 1 . . . . 33 p CB . 25118 1 266 . 1 1 34 34 HIS H H 1 8.347 . . 1 . . . . 34 h HN . 25118 1 267 . 1 1 34 34 HIS HA H 1 4.645 . . 1 . . . . 34 h HA . 25118 1 268 . 1 1 34 34 HIS HB2 H 1 3.195 . . 2 . . . . 34 h HB2 . 25118 1 269 . 1 1 34 34 HIS C C 13 174.802 . . 1 . . . . 34 h C . 25118 1 270 . 1 1 34 34 HIS CA C 13 55.834 . . 1 . . . . 34 h CA . 25118 1 271 . 1 1 34 34 HIS CB C 13 29.729 . . 1 . . . . 34 h CB . 25118 1 272 . 1 1 34 34 HIS N N 15 118.220 . . 1 . . . . 34 h N . 25118 1 273 . 1 1 35 35 ALA H H 1 8.080 . . 1 . . . . 35 a HN . 25118 1 274 . 1 1 35 35 ALA HB1 H 1 1.397 . . 1 . . . . 35 a HB1 . 25118 1 275 . 1 1 35 35 ALA HB2 H 1 1.397 . . 1 . . . . 35 a HB2 . 25118 1 276 . 1 1 35 35 ALA HB3 H 1 1.397 . . 1 . . . . 35 a HB3 . 25118 1 277 . 1 1 35 35 ALA C C 13 177.686 . . 1 . . . . 35 a C . 25118 1 278 . 1 1 35 35 ALA CA C 13 52.721 . . 1 . . . . 35 a CA . 25118 1 279 . 1 1 35 35 ALA CB C 13 19.471 . . 1 . . . . 35 a CB . 25118 1 280 . 1 1 35 35 ALA N N 15 124.498 . . 1 . . . . 35 a N . 25118 1 281 . 1 1 36 36 LYS H H 1 8.226 . . 1 . . . . 36 k HN . 25118 1 282 . 1 1 36 36 LYS HA H 1 4.324 . . 1 . . . . 36 k HA . 25118 1 283 . 1 1 36 36 LYS HB2 H 1 1.826 . . 2 . . . . 36 k HB2 . 25118 1 284 . 1 1 36 36 LYS HG2 H 1 1.458 . . 2 . . . . 36 k HG2 . 25118 1 285 . 1 1 36 36 LYS HD2 H 1 1.710 . . 2 . . . . 36 k HD2 . 25118 1 286 . 1 1 36 36 LYS HE2 H 1 3.019 . . 2 . . . . 36 k HE2 . 25118 1 287 . 1 1 36 36 LYS C C 13 176.696 . . 1 . . . . 36 k C . 25118 1 288 . 1 1 36 36 LYS CA C 13 56.466 . . 1 . . . . 36 k CA . 25118 1 289 . 1 1 36 36 LYS CB C 13 32.900 . . 1 . . . . 36 k CB . 25118 1 290 . 1 1 36 36 LYS N N 15 120.648 . . 1 . . . . 36 k N . 25118 1 291 . 1 1 37 37 LYS H H 1 8.294 . . 1 . . . . 37 k HN . 25118 1 292 . 1 1 37 37 LYS HA H 1 4.301 . . 1 . . . . 37 k HA . 25118 1 293 . 1 1 37 37 LYS HB2 H 1 1.838 . . 2 . . . . 37 k HB2 . 25118 1 294 . 1 1 37 37 LYS HG2 H 1 1.470 . . 2 . . . . 37 k HG2 . 25118 1 295 . 1 1 37 37 LYS HD2 H 1 1.728 . . 2 . . . . 37 k HD2 . 25118 1 296 . 1 1 37 37 LYS HE2 H 1 3.027 . . 2 . . . . 37 k HE2 . 25118 1 297 . 1 1 37 37 LYS CA C 13 56.463 . . 1 . . . . 37 k CA . 25118 1 298 . 1 1 37 37 LYS CB C 13 33.195 . . 1 . . . . 37 k CB . 25118 1 299 . 1 1 37 37 LYS N N 15 122.856 . . 1 . . . . 37 k N . 25118 1 300 . 1 1 38 38 LYS H H 1 8.187 . . 1 . . . . 38 k HN . 25118 1 301 . 1 1 38 38 LYS HA H 1 4.351 . . 1 . . . . 38 k HA . 25118 1 302 . 1 1 38 38 LYS HB2 H 1 1.852 . . 2 . . . . 38 k HB2 . 25118 1 303 . 1 1 38 38 LYS HG2 H 1 1.465 . . 2 . . . . 38 k HG2 . 25118 1 304 . 1 1 38 38 LYS HD2 H 1 1.727 . . 2 . . . . 38 k HD2 . 25118 1 305 . 1 1 38 38 LYS HE2 H 1 3.034 . . 2 . . . . 38 k HE2 . 25118 1 306 . 1 1 38 38 LYS C C 13 176.602 . . 1 . . . . 38 k C . 25118 1 307 . 1 1 38 38 LYS CA C 13 56.489 . . 1 . . . . 38 k CA . 25118 1 308 . 1 1 38 38 LYS CB C 13 33.176 . . 1 . . . . 38 k CB . 25118 1 309 . 1 1 38 38 LYS N N 15 122.407 . . 1 . . . . 38 k N . 25118 1 310 . 1 1 39 39 SER H H 1 8.239 . . 1 . . . . 39 s HN . 25118 1 311 . 1 1 39 39 SER HA H 1 4.472 . . 1 . . . . 39 s HA . 25118 1 312 . 1 1 39 39 SER HB2 H 1 3.876 . . 2 . . . . 39 s HB2 . 25118 1 313 . 1 1 39 39 SER C C 13 174.458 . . 1 . . . . 39 s C . 25118 1 314 . 1 1 39 39 SER CA C 13 58.346 . . 1 . . . . 39 s CA . 25118 1 315 . 1 1 39 39 SER CB C 13 64.106 . . 1 . . . . 39 s CB . 25118 1 316 . 1 1 39 39 SER N N 15 117.277 . . 1 . . . . 39 s N . 25118 1 317 . 1 1 40 40 LYS H H 1 8.338 . . 1 . . . . 40 k HN . 25118 1 318 . 1 1 40 40 LYS HA H 1 4.382 . . 1 . . . . 40 k HA . 25118 1 319 . 1 1 40 40 LYS HB2 H 1 1.860 . . 2 . . . . 40 k HB2 . 25118 1 320 . 1 1 40 40 LYS HG2 H 1 1.503 . . 2 . . . . 40 k HG2 . 25118 1 321 . 1 1 40 40 LYS HD2 H 1 1.728 . . 2 . . . . 40 k HD2 . 25118 1 322 . 1 1 40 40 LYS HE2 H 1 3.031 . . 2 . . . . 40 k HE2 . 25118 1 323 . 1 1 40 40 LYS C C 13 176.583 . . 1 . . . . 40 k C . 25118 1 324 . 1 1 40 40 LYS CA C 13 56.643 . . 1 . . . . 40 k CA . 25118 1 325 . 1 1 40 40 LYS CB C 13 33.130 . . 1 . . . . 40 k CB . 25118 1 326 . 1 1 40 40 LYS N N 15 123.487 . . 1 . . . . 40 k N . 25118 1 327 . 1 1 41 41 ILE H H 1 8.078 . . 1 . . . . 41 i HN . 25118 1 328 . 1 1 41 41 ILE HA H 1 4.206 . . 1 . . . . 41 i HA . 25118 1 329 . 1 1 41 41 ILE C C 13 176.309 . . 1 . . . . 41 i C . 25118 1 330 . 1 1 41 41 ILE CA C 13 61.244 . . 1 . . . . 41 i CA . 25118 1 331 . 1 1 41 41 ILE CB C 13 38.877 . . 1 . . . . 41 i CB . 25118 1 332 . 1 1 41 41 ILE N N 15 121.758 . . 1 . . . . 41 i N . 25118 1 333 . 1 1 42 42 SER H H 1 8.292 . . 1 . . . . 42 s HN . 25118 1 334 . 1 1 42 42 SER HA H 1 4.462 . . 1 . . . . 42 s HA . 25118 1 335 . 1 1 42 42 SER HB2 H 1 3.917 . . 2 . . . . 42 s HB2 . 25118 1 336 . 1 1 42 42 SER C C 13 174.500 . . 1 . . . . 42 s C . 25118 1 337 . 1 1 42 42 SER CA C 13 58.387 . . 1 . . . . 42 s CA . 25118 1 338 . 1 1 42 42 SER CB C 13 63.999 . . 1 . . . . 42 s CB . 25118 1 339 . 1 1 42 42 SER N N 15 120.088 . . 1 . . . . 42 s N . 25118 1 340 . 1 1 43 43 ALA H H 1 8.325 . . 1 . . . . 43 a HN . 25118 1 341 . 1 1 43 43 ALA HA H 1 4.352 . . 1 . . . . 43 a HA . 25118 1 342 . 1 1 43 43 ALA HB1 H 1 1.451 . . 1 . . . . 43 a HB1 . 25118 1 343 . 1 1 43 43 ALA HB2 H 1 1.451 . . 1 . . . . 43 a HB2 . 25118 1 344 . 1 1 43 43 ALA HB3 H 1 1.451 . . 1 . . . . 43 a HB3 . 25118 1 345 . 1 1 43 43 ALA C C 13 178.141 . . 1 . . . . 43 a C . 25118 1 346 . 1 1 43 43 ALA CA C 13 53.106 . . 1 . . . . 43 a CA . 25118 1 347 . 1 1 43 43 ALA CB C 13 19.295 . . 1 . . . . 43 a CB . 25118 1 348 . 1 1 43 43 ALA N N 15 126.209 . . 1 . . . . 43 a N . 25118 1 349 . 1 1 44 44 SER H H 1 8.172 . . 1 . . . . 44 s HN . 25118 1 350 . 1 1 44 44 SER HA H 1 4.414 . . 1 . . . . 44 s HA . 25118 1 351 . 1 1 44 44 SER HB2 H 1 3.913 . . 2 . . . . 44 s HB2 . 25118 1 352 . 1 1 44 44 SER C C 13 175.125 . . 1 . . . . 44 s C . 25118 1 353 . 1 1 44 44 SER CA C 13 58.910 . . 1 . . . . 44 s CA . 25118 1 354 . 1 1 44 44 SER CB C 13 63.700 . . 1 . . . . 44 s CB . 25118 1 355 . 1 1 44 44 SER N N 15 114.438 . . 1 . . . . 44 s N . 25118 1 356 . 1 1 45 45 ARG H H 1 8.192 . . 1 . . . . 45 r HN . 25118 1 357 . 1 1 45 45 ARG HA H 1 4.333 . . 1 . . . . 45 r HA . 25118 1 358 . 1 1 45 45 ARG HB2 H 1 1.918 . . 2 . . . . 45 r HB2 . 25118 1 359 . 1 1 45 45 ARG HB3 H 1 1.815 . . 2 . . . . 45 r HB3 . 25118 1 360 . 1 1 45 45 ARG HG2 H 1 1.681 . . 2 . . . . 45 r HG2 . 25118 1 361 . 1 1 45 45 ARG HD2 H 1 3.239 . . 2 . . . . 45 r HD2 . 25118 1 362 . 1 1 45 45 ARG C C 13 176.667 . . 1 . . . . 45 r C . 25118 1 363 . 1 1 45 45 ARG CA C 13 56.850 . . 1 . . . . 45 r CA . 25118 1 364 . 1 1 45 45 ARG CB C 13 32.898 . . 1 . . . . 45 r CB . 25118 1 365 . 1 1 45 45 ARG N N 15 123.220 . . 1 . . . . 45 r N . 25118 1 366 . 1 1 46 46 LYS H H 1 8.170 . . 1 . . . . 46 k HN . 25118 1 367 . 1 1 46 46 LYS HA H 1 4.229 . . 1 . . . . 46 k HA . 25118 1 368 . 1 1 46 46 LYS HB2 H 1 1.826 . . 2 . . . . 46 k HB2 . 25118 1 369 . 1 1 46 46 LYS HG2 H 1 1.455 . . 2 . . . . 46 k HG2 . 25118 1 370 . 1 1 46 46 LYS HD2 H 1 1.710 . . 2 . . . . 46 k HD2 . 25118 1 371 . 1 1 46 46 LYS HE2 H 1 3.017 . . 2 . . . . 46 k HE2 . 25118 1 372 . 1 1 46 46 LYS C C 13 177.891 . . 1 . . . . 46 k C . 25118 1 373 . 1 1 46 46 LYS CA C 13 57.302 . . 1 . . . . 46 k CA . 25118 1 374 . 1 1 46 46 LYS CB C 13 32.864 . . 1 . . . . 46 k CB . 25118 1 375 . 1 1 46 46 LYS N N 15 121.427 . . 1 . . . . 46 k N . 25118 1 376 . 1 1 47 47 LEU H H 1 8.018 . . 1 . . . . 47 l HN . 25118 1 377 . 1 1 47 47 LEU HA H 1 4.317 . . 1 . . . . 47 l HA . 25118 1 378 . 1 1 47 47 LEU HB2 H 1 1.647 . . 2 . . . . 47 l HB2 . 25118 1 379 . 1 1 47 47 LEU HD21 H 1 0.929 . . 2 . . . . 47 l HD21 . 25118 1 380 . 1 1 47 47 LEU HD22 H 1 0.929 . . 2 . . . . 47 l HD22 . 25118 1 381 . 1 1 47 47 LEU HD23 H 1 0.929 . . 2 . . . . 47 l HD23 . 25118 1 382 . 1 1 47 47 LEU C C 13 177.605 . . 1 . . . . 47 l C . 25118 1 383 . 1 1 47 47 LEU CA C 13 55.802 . . 1 . . . . 47 l CA . 25118 1 384 . 1 1 47 47 LEU CB C 13 42.412 . . 1 . . . . 47 l CB . 25118 1 385 . 1 1 47 47 LEU N N 15 122.312 . . 1 . . . . 47 l N . 25118 1 386 . 1 1 48 48 GLN H H 1 8.220 . . 1 . . . . 48 q HN . 25118 1 387 . 1 1 48 48 GLN HB2 H 1 2.141 . . 2 . . . . 48 q HB2 . 25118 1 388 . 1 1 48 48 GLN HG2 H 1 2.411 . . 2 . . . . 48 q HG2 . 25118 1 389 . 1 1 48 48 GLN C C 13 176.448 . . 1 . . . . 48 q C . 25118 1 390 . 1 1 48 48 GLN CA C 13 56.283 . . 1 . . . . 48 q CA . 25118 1 391 . 1 1 48 48 GLN CB C 13 29.276 . . 1 . . . . 48 q CB . 25118 1 392 . 1 1 48 48 GLN N N 15 121.161 . . 1 . . . . 48 q N . 25118 1 393 . 1 1 49 49 LEU H H 1 8.129 . . 1 . . . . 49 l HN . 25118 1 394 . 1 1 49 49 LEU HA H 1 4.268 . . 1 . . . . 49 l HA . 25118 1 395 . 1 1 49 49 LEU HD21 H 1 0.924 . . 2 . . . . 49 l HD21 . 25118 1 396 . 1 1 49 49 LEU HD22 H 1 0.924 . . 2 . . . . 49 l HD22 . 25118 1 397 . 1 1 49 49 LEU HD23 H 1 0.924 . . 2 . . . . 49 l HD23 . 25118 1 398 . 1 1 49 49 LEU C C 13 177.756 . . 1 . . . . 49 l C . 25118 1 399 . 1 1 49 49 LEU CA C 13 56.283 . . 1 . . . . 49 l CA . 25118 1 400 . 1 1 49 49 LEU CB C 13 42.364 . . 1 . . . . 49 l CB . 25118 1 401 . 1 1 49 49 LEU N N 15 122.762 . . 1 . . . . 49 l N . 25118 1 402 . 1 1 50 50 LYS H H 1 8.202 . . 1 . . . . 50 k HN . 25118 1 403 . 1 1 50 50 LYS HA H 1 4.238 . . 1 . . . . 50 k HA . 25118 1 404 . 1 1 50 50 LYS HB2 H 1 1.891 . . 2 . . . . 50 k HB2 . 25118 1 405 . 1 1 50 50 LYS HG2 H 1 1.498 . . 2 . . . . 50 k HG2 . 25118 1 406 . 1 1 50 50 LYS HD2 H 1 1.725 . . 2 . . . . 50 k HD2 . 25118 1 407 . 1 1 50 50 LYS HE2 H 1 3.016 . . 2 . . . . 50 k HE2 . 25118 1 408 . 1 1 50 50 LYS C C 13 177.377 . . 1 . . . . 50 k C . 25118 1 409 . 1 1 50 50 LYS CA C 13 57.825 . . 1 . . . . 50 k CA . 25118 1 410 . 1 1 50 50 LYS CB C 13 32.728 . . 1 . . . . 50 k CB . 25118 1 411 . 1 1 50 50 LYS N N 15 120.548 . . 1 . . . . 50 k N . 25118 1 412 . 1 1 51 51 THR H H 1 7.861 . . 1 . . . . 51 t HN . 25118 1 413 . 1 1 51 51 THR HA H 1 4.205 . . 1 . . . . 51 t HA . 25118 1 414 . 1 1 51 51 THR HG21 H 1 1.248 . . 1 . . . . 51 t HG21 . 25118 1 415 . 1 1 51 51 THR HG22 H 1 1.248 . . 1 . . . . 51 t HG22 . 25118 1 416 . 1 1 51 51 THR HG23 H 1 1.248 . . 1 . . . . 51 t HG23 . 25118 1 417 . 1 1 51 51 THR C C 13 175.138 . . 1 . . . . 51 t C . 25118 1 418 . 1 1 51 51 THR CA C 13 63.507 . . 1 . . . . 51 t CA . 25118 1 419 . 1 1 51 51 THR CB C 13 69.355 . . 1 . . . . 51 t CB . 25118 1 420 . 1 1 51 51 THR N N 15 114.095 . . 1 . . . . 51 t N . 25118 1 421 . 1 1 52 52 LEU H H 1 7.979 . . 1 . . . . 52 l HN . 25118 1 422 . 1 1 52 52 LEU HB2 H 1 1.695 . . 2 . . . . 52 l HB2 . 25118 1 423 . 1 1 52 52 LEU HD21 H 1 0.926 . . 2 . . . . 52 l HD21 . 25118 1 424 . 1 1 52 52 LEU HD22 H 1 0.926 . . 2 . . . . 52 l HD22 . 25118 1 425 . 1 1 52 52 LEU HD23 H 1 0.926 . . 2 . . . . 52 l HD23 . 25118 1 426 . 1 1 52 52 LEU C C 13 177.738 . . 1 . . . . 52 l C . 25118 1 427 . 1 1 52 52 LEU CA C 13 56.462 . . 1 . . . . 52 l CA . 25118 1 428 . 1 1 52 52 LEU CB C 13 42.307 . . 1 . . . . 52 l CB . 25118 1 429 . 1 1 52 52 LEU N N 15 123.936 . . 1 . . . . 52 l N . 25118 1 430 . 1 1 53 53 LEU H H 1 8.073 . . 1 . . . . 53 l HN . 25118 1 431 . 1 1 53 53 LEU HA H 1 4.243 . . 1 . . . . 53 l HA . 25118 1 432 . 1 1 53 53 LEU HB2 H 1 1.731 . . 2 . . . . 53 l HB2 . 25118 1 433 . 1 1 53 53 LEU HG H 1 1.598 . . 1 . . . . 53 l HG . 25118 1 434 . 1 1 53 53 LEU HD11 H 1 0.911 . . 2 . . . . 53 l HD11 . 25118 1 435 . 1 1 53 53 LEU HD12 H 1 0.911 . . 2 . . . . 53 l HD12 . 25118 1 436 . 1 1 53 53 LEU HD13 H 1 0.911 . . 2 . . . . 53 l HD13 . 25118 1 437 . 1 1 53 53 LEU C C 13 178.134 . . 1 . . . . 53 l C . 25118 1 438 . 1 1 53 53 LEU CA C 13 56.356 . . 1 . . . . 53 l CA . 25118 1 439 . 1 1 53 53 LEU CB C 13 42.073 . . 1 . . . . 53 l CB . 25118 1 440 . 1 1 53 53 LEU N N 15 120.839 . . 1 . . . . 53 l N . 25118 1 441 . 1 1 54 54 LEU H H 1 7.915 . . 1 . . . . 54 l HN . 25118 1 442 . 1 1 54 54 LEU HA H 1 4.285 . . 1 . . . . 54 l HA . 25118 1 443 . 1 1 54 54 LEU HB2 H 1 1.762 . . 2 . . . . 54 l HB2 . 25118 1 444 . 1 1 54 54 LEU HG H 1 1.622 . . 1 . . . . 54 l HG . 25118 1 445 . 1 1 54 54 LEU HD11 H 1 0.928 . . 2 . . . . 54 l HD11 . 25118 1 446 . 1 1 54 54 LEU HD12 H 1 0.928 . . 2 . . . . 54 l HD12 . 25118 1 447 . 1 1 54 54 LEU HD13 H 1 0.928 . . 2 . . . . 54 l HD13 . 25118 1 448 . 1 1 54 54 LEU C C 13 177.943 . . 1 . . . . 54 l C . 25118 1 449 . 1 1 54 54 LEU CA C 13 56.224 . . 1 . . . . 54 l CA . 25118 1 450 . 1 1 54 54 LEU CB C 13 42.334 . . 1 . . . . 54 l CB . 25118 1 451 . 1 1 54 54 LEU N N 15 121.226 . . 1 . . . . 54 l N . 25118 1 452 . 1 1 55 55 GLN H H 1 8.086 . . 1 . . . . 55 q HN . 25118 1 453 . 1 1 55 55 GLN HA H 1 4.272 . . 1 . . . . 55 q HA . 25118 1 454 . 1 1 55 55 GLN HB2 H 1 2.148 . . 2 . . . . 55 q HB2 . 25118 1 455 . 1 1 55 55 GLN HG2 H 1 2.411 . . 2 . . . . 55 q HG2 . 25118 1 456 . 1 1 55 55 GLN CA C 13 57.020 . . 1 . . . . 55 q CA . 25118 1 457 . 1 1 55 55 GLN CB C 13 29.103 . . 1 . . . . 55 q CB . 25118 1 458 . 1 1 55 55 GLN N N 15 120.265 . . 1 . . . . 55 q N . 25118 1 459 . 1 1 56 56 ILE H H 1 8.008 . . 1 . . . . 56 i HN . 25118 1 460 . 1 1 56 56 ILE HA H 1 4.048 . . 1 . . . . 56 i HA . 25118 1 461 . 1 1 56 56 ILE HB H 1 1.898 . . 1 . . . . 56 i HB . 25118 1 462 . 1 1 56 56 ILE HG12 H 1 1.213 . . 2 . . . . 56 i HG12 . 25118 1 463 . 1 1 56 56 ILE HG13 H 1 1.564 . . 2 . . . . 56 i HG13 . 25118 1 464 . 1 1 56 56 ILE HG21 H 1 0.933 . . 1 . . . . 56 i HG21 . 25118 1 465 . 1 1 56 56 ILE HG22 H 1 0.933 . . 1 . . . . 56 i HG22 . 25118 1 466 . 1 1 56 56 ILE HG23 H 1 0.933 . . 1 . . . . 56 i HG23 . 25118 1 467 . 1 1 56 56 ILE C C 13 176.677 . . 1 . . . . 56 i C . 25118 1 468 . 1 1 56 56 ILE CA C 13 62.426 . . 1 . . . . 56 i CA . 25118 1 469 . 1 1 56 56 ILE CB C 13 38.666 . . 1 . . . . 56 i CB . 25118 1 470 . 1 1 56 56 ILE N N 15 120.887 . . 1 . . . . 56 i N . 25118 1 471 . 1 1 57 57 ALA H H 1 8.126 . . 1 . . . . 57 a HN . 25118 1 472 . 1 1 57 57 ALA HA H 1 4.301 . . 1 . . . . 57 a HA . 25118 1 473 . 1 1 57 57 ALA HB1 H 1 1.462 . . 1 . . . . 57 a HB1 . 25118 1 474 . 1 1 57 57 ALA HB2 H 1 1.462 . . 1 . . . . 57 a HB2 . 25118 1 475 . 1 1 57 57 ALA HB3 H 1 1.462 . . 1 . . . . 57 a HB3 . 25118 1 476 . 1 1 57 57 ALA C C 13 178.533 . . 1 . . . . 57 a C . 25118 1 477 . 1 1 57 57 ALA CA C 13 53.444 . . 1 . . . . 57 a CA . 25118 1 478 . 1 1 57 57 ALA CB C 13 18.962 . . 1 . . . . 57 a CB . 25118 1 479 . 1 1 57 57 ALA N N 15 125.704 . . 1 . . . . 57 a N . 25118 1 480 . 1 1 58 58 LYS H H 1 8.079 . . 1 . . . . 58 k HN . 25118 1 481 . 1 1 58 58 LYS HA H 1 4.194 . . 1 . . . . 58 k HA . 25118 1 482 . 1 1 58 58 LYS HB2 H 1 1.881 . . 2 . . . . 58 k HB2 . 25118 1 483 . 1 1 58 58 LYS HG2 H 1 1.475 . . 2 . . . . 58 k HG2 . 25118 1 484 . 1 1 58 58 LYS HD2 H 1 1.710 . . 2 . . . . 58 k HD2 . 25118 1 485 . 1 1 58 58 LYS HE2 H 1 3.016 . . 2 . . . . 58 k HE2 . 25118 1 486 . 1 1 58 58 LYS C C 13 177.457 . . 1 . . . . 58 k C . 25118 1 487 . 1 1 58 58 LYS CA C 13 57.782 . . 1 . . . . 58 k CA . 25118 1 488 . 1 1 58 58 LYS CB C 13 32.888 . . 1 . . . . 58 k CB . 25118 1 489 . 1 1 58 58 LYS N N 15 119.790 . . 1 . . . . 58 k N . 25118 1 490 . 1 1 59 59 GLN H H 1 8.236 . . 1 . . . . 59 q HN . 25118 1 491 . 1 1 59 59 GLN HA H 1 4.263 . . 1 . . . . 59 q HA . 25118 1 492 . 1 1 59 59 GLN HB2 H 1 2.141 . . 2 . . . . 59 q HB2 . 25118 1 493 . 1 1 59 59 GLN HG2 H 1 2.433 . . 2 . . . . 59 q HG2 . 25118 1 494 . 1 1 59 59 GLN C C 13 177.147 . . 1 . . . . 59 q C . 25118 1 495 . 1 1 59 59 GLN CA C 13 57.285 . . 1 . . . . 59 q CA . 25118 1 496 . 1 1 59 59 GLN CB C 13 29.147 . . 1 . . . . 59 q CB . 25118 1 497 . 1 1 59 59 GLN N N 15 120.059 . . 1 . . . . 59 q N . 25118 1 498 . 1 1 60 60 GLU H H 1 8.292 . . 1 . . . . 60 e HN . 25118 1 499 . 1 1 60 60 GLU HA H 1 4.255 . . 1 . . . . 60 e HA . 25118 1 500 . 1 1 60 60 GLU HB2 H 1 2.069 . . 2 . . . . 60 e HB2 . 25118 1 501 . 1 1 60 60 GLU HG2 H 1 2.323 . . 2 . . . . 60 e HG2 . 25118 1 502 . 1 1 60 60 GLU C C 13 177.412 . . 1 . . . . 60 e C . 25118 1 503 . 1 1 60 60 GLU CA C 13 57.730 . . 1 . . . . 60 e CA . 25118 1 504 . 1 1 60 60 GLU CB C 13 29.923 . . 1 . . . . 60 e CB . 25118 1 505 . 1 1 60 60 GLU N N 15 121.051 . . 1 . . . . 60 e N . 25118 1 506 . 1 1 61 61 LEU H H 1 8.023 . . 1 . . . . 61 l HN . 25118 1 507 . 1 1 61 61 LEU HA H 1 4.268 . . 1 . . . . 61 l HA . 25118 1 508 . 1 1 61 61 LEU CA C 13 56.463 . . 1 . . . . 61 l CA . 25118 1 509 . 1 1 61 61 LEU CB C 13 42.364 . . 1 . . . . 61 l CB . 25118 1 510 . 1 1 61 61 LEU N N 15 121.594 . . 1 . . . . 61 l N . 25118 1 511 . 1 1 62 62 GLU H H 1 8.202 . . 1 . . . . 62 e HN . 25118 1 512 . 1 1 62 62 GLU HA H 1 4.164 . . 1 . . . . 62 e HA . 25118 1 513 . 1 1 62 62 GLU HB2 H 1 2.330 . . 2 . . . . 62 e HB2 . 25118 1 514 . 1 1 62 62 GLU HG2 H 1 2.330 . . 2 . . . . 62 e HG2 . 25118 1 515 . 1 1 62 62 GLU CA C 13 57.800 . . 1 . . . . 62 e CA . 25118 1 516 . 1 1 62 62 GLU CB C 13 29.961 . . 1 . . . . 62 e CB . 25118 1 517 . 1 1 62 62 GLU CG C 13 36.218 . . 1 . . . . 62 e CG . 25118 1 518 . 1 1 62 62 GLU N N 15 120.548 . . 1 . . . . 62 e N . 25118 1 519 . 1 1 63 63 ARG H H 1 8.265 . . 1 . . . . 63 r HN . 25118 1 520 . 1 1 63 63 ARG HB2 H 1 1.679 . . 2 . . . . 63 r HB2 . 25118 1 521 . 1 1 63 63 ARG HD2 H 1 3.232 . . 2 . . . . 63 r HD2 . 25118 1 522 . 1 1 63 63 ARG CA C 13 57.736 . . 1 . . . . 63 r CA . 25118 1 523 . 1 1 63 63 ARG N N 15 120.603 . . 1 . . . . 63 r N . 25118 1 524 . 1 1 64 64 GLU H H 1 8.247 . . 1 . . . . 64 e HN . 25118 1 525 . 1 1 64 64 GLU HA H 1 4.185 . . 1 . . . . 64 e HA . 25118 1 526 . 1 1 64 64 GLU HB2 H 1 2.286 . . 2 . . . . 64 e HB2 . 25118 1 527 . 1 1 64 64 GLU HG2 H 1 2.286 . . 2 . . . . 64 e HG2 . 25118 1 528 . 1 1 64 64 GLU HG3 H 1 2.375 . . 2 . . . . 64 e HG3 . 25118 1 529 . 1 1 64 64 GLU C C 13 177.225 . . 1 . . . . 64 e C . 25118 1 530 . 1 1 64 64 GLU CA C 13 57.844 . . 1 . . . . 64 e CA . 25118 1 531 . 1 1 64 64 GLU CB C 13 29.921 . . 1 . . . . 64 e CB . 25118 1 532 . 1 1 64 64 GLU N N 15 120.591 . . 1 . . . . 64 e N . 25118 1 533 . 1 1 65 65 ALA H H 1 8.059 . . 1 . . . . 65 a HN . 25118 1 534 . 1 1 65 65 ALA HA H 1 4.219 . . 1 . . . . 65 a HA . 25118 1 535 . 1 1 65 65 ALA HB1 H 1 1.462 . . 1 . . . . 65 a HB1 . 25118 1 536 . 1 1 65 65 ALA HB2 H 1 1.462 . . 1 . . . . 65 a HB2 . 25118 1 537 . 1 1 65 65 ALA HB3 H 1 1.462 . . 1 . . . . 65 a HB3 . 25118 1 538 . 1 1 65 65 ALA C C 13 178.882 . . 1 . . . . 65 a C . 25118 1 539 . 1 1 65 65 ALA CA C 13 53.710 . . 1 . . . . 65 a CA . 25118 1 540 . 1 1 65 65 ALA CB C 13 18.958 . . 1 . . . . 65 a CB . 25118 1 541 . 1 1 65 65 ALA N N 15 123.070 . . 1 . . . . 65 a N . 25118 1 542 . 1 1 66 66 GLU H H 1 8.141 . . 1 . . . . 66 e HN . 25118 1 543 . 1 1 66 66 GLU CA C 13 57.797 . . 1 . . . . 66 e CA . 25118 1 544 . 1 1 66 66 GLU CB C 13 30.119 . . 1 . . . . 66 e CB . 25118 1 545 . 1 1 66 66 GLU N N 15 119.225 . . 1 . . . . 66 e N . 25118 1 546 . 1 1 67 67 GLU HG2 H 1 2.261 . . 2 . . . . 67 e HG2 . 25118 1 547 . 1 1 67 67 GLU CA C 13 57.672 . . 1 . . . . 67 e CA . 25118 1 548 . 1 1 68 68 ARG H H 1 8.107 . . 1 . . . . 68 r HN . 25118 1 549 . 1 1 68 68 ARG HD2 H 1 3.214 . . 2 . . . . 68 r HD2 . 25118 1 550 . 1 1 68 68 ARG CA C 13 56.812 . . 1 . . . . 68 r CA . 25118 1 551 . 1 1 68 68 ARG N N 15 120.175 . . 1 . . . . 68 r N . 25118 1 552 . 1 1 69 69 ARG H H 1 8.049 . . 1 . . . . 69 r HN . 25118 1 553 . 1 1 69 69 ARG HA H 1 4.295 . . 1 . . . . 69 r HA . 25118 1 554 . 1 1 69 69 ARG HB2 H 1 1.875 . . 2 . . . . 69 r HB2 . 25118 1 555 . 1 1 69 69 ARG HG2 H 1 1.875 . . 2 . . . . 69 r HG2 . 25118 1 556 . 1 1 69 69 ARG HD2 H 1 3.224 . . 2 . . . . 69 r HD2 . 25118 1 557 . 1 1 69 69 ARG C C 13 177.233 . . 1 . . . . 69 r C . 25118 1 558 . 1 1 69 69 ARG CA C 13 57.091 . . 1 . . . . 69 r CA . 25118 1 559 . 1 1 69 69 ARG CB C 13 30.728 . . 1 . . . . 69 r CB . 25118 1 560 . 1 1 69 69 ARG N N 15 120.553 . . 1 . . . . 69 r N . 25118 1 561 . 1 1 70 70 GLY H H 1 8.243 . . 1 . . . . 70 g HN . 25118 1 562 . 1 1 70 70 GLY HA2 H 1 3.980 . . 2 . . . . 70 g HA2 . 25118 1 563 . 1 1 70 70 GLY C C 13 174.458 . . 1 . . . . 70 g C . 25118 1 564 . 1 1 70 70 GLY CA C 13 45.614 . . 1 . . . . 70 g CA . 25118 1 565 . 1 1 70 70 GLY N N 15 108.959 . . 1 . . . . 70 g N . 25118 1 566 . 1 1 71 71 GLU H H 1 8.160 . . 1 . . . . 71 e HN . 25118 1 567 . 1 1 71 71 GLU HB2 H 1 1.981 . . 2 . . . . 71 e HB2 . 25118 1 568 . 1 1 71 71 GLU HB3 H 1 2.082 . . 2 . . . . 71 e HB3 . 25118 1 569 . 1 1 71 71 GLU HG2 H 1 2.281 . . 2 . . . . 71 e HG2 . 25118 1 570 . 1 1 71 71 GLU C C 13 177.386 . . 1 . . . . 71 e C . 25118 1 571 . 1 1 71 71 GLU CA C 13 56.976 . . 1 . . . . 71 e CA . 25118 1 572 . 1 1 71 71 GLU CB C 13 30.335 . . 1 . . . . 71 e CB . 25118 1 573 . 1 1 71 71 GLU N N 15 120.713 . . 1 . . . . 71 e N . 25118 1 574 . 1 1 72 72 LYS H H 1 8.284 . . 1 . . . . 72 k HN . 25118 1 575 . 1 1 72 72 LYS HA H 1 4.291 . . 1 . . . . 72 k HA . 25118 1 576 . 1 1 72 72 LYS HB2 H 1 1.840 . . 2 . . . . 72 k HB2 . 25118 1 577 . 1 1 72 72 LYS HG2 H 1 1.468 . . 2 . . . . 72 k HG2 . 25118 1 578 . 1 1 72 72 LYS HD2 H 1 1.695 . . 2 . . . . 72 k HD2 . 25118 1 579 . 1 1 72 72 LYS HE2 H 1 3.016 . . 2 . . . . 72 k HE2 . 25118 1 580 . 1 1 72 72 LYS C C 13 177.382 . . 1 . . . . 72 k C . 25118 1 581 . 1 1 72 72 LYS CA C 13 56.979 . . 1 . . . . 72 k CA . 25118 1 582 . 1 1 72 72 LYS CB C 13 32.801 . . 1 . . . . 72 k CB . 25118 1 583 . 1 1 72 72 LYS N N 15 121.262 . . 1 . . . . 72 k N . 25118 1 584 . 1 1 73 73 GLY H H 1 8.321 . . 1 . . . . 73 g HN . 25118 1 585 . 1 1 73 73 GLY HA2 H 1 3.950 . . 2 . . . . 73 g HA2 . 25118 1 586 . 1 1 73 73 GLY C C 13 174.271 . . 1 . . . . 73 g C . 25118 1 587 . 1 1 73 73 GLY CA C 13 45.542 . . 1 . . . . 73 g CA . 25118 1 588 . 1 1 73 73 GLY N N 15 109.067 . . 1 . . . . 73 g N . 25118 1 589 . 1 1 74 74 ARG H H 1 7.973 . . 1 . . . . 74 r HN . 25118 1 590 . 1 1 74 74 ARG C C 13 176.195 . . 1 . . . . 74 r C . 25118 1 591 . 1 1 74 74 ARG CA C 13 56.325 . . 1 . . . . 74 r CA . 25118 1 592 . 1 1 74 74 ARG CB C 13 30.750 . . 1 . . . . 74 r CB . 25118 1 593 . 1 1 74 74 ARG N N 15 119.883 . . 1 . . . . 74 r N . 25118 1 stop_ save_