data_6143 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6143 _Entry.Title ; 1H and 15N assignments for human apolipoprotein C-II in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-14 _Entry.Accession_date 2004-03-17 _Entry.Last_release_date 2005-03-14 _Entry.Original_release_date 2005-03-14 _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 Christopher MacRaild . A. . 6143 2 Geoffrey Howlett . J. . 6143 3 Paul Gooley . R. . 6143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 273 6143 '15N chemical shifts' 66 6143 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 . . 2005-03-14 2004-03-14 original author . 6143 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6143 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15209504 _Citation.Full_citation . _Citation.Title 'The Structure and Interactions of Human Apolipoprotein C-II in Dodecyl Phosphocholine' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 25 _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 8084 _Citation.Page_last 8093 _Citation.Year 2004 _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 Christopher MacRaild . A. . 6143 1 2 Geoffrey Howlett . J. . 6143 1 3 Paul Gooley . R. . 6143 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_apolipoprotein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_apolipoprotein _Assembly.Entry_ID 6143 _Assembly.ID 1 _Assembly.Name 'apolipoprotein C-II' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 8916 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6143 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 'apolipoprotein C-II' 1 $apolipoprotein_C-II . . . native . . . . . 6143 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'apolipoprotein C-II' system 6143 1 'apolipoprotein C-II' abbreviation 6143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apolipoprotein_C-II _Entity.Sf_category entity _Entity.Sf_framecode apolipoprotein_C-II _Entity.Entry_ID 6143 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apoC-II _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 ; TQQPQQDEMPSPTFLTQVKE SLSSYWESAKTAAQNLYEKT YLPAVDEKLRDLYSKSTAAM STYTGIFTDQVLSVLKGEE ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8916 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5534 . ApoCII . . . . . 100.00 79 100.00 100.00 1.82e-48 . . . . 6143 1 2 no PDB 1I5J . "Nmr Structure Of Human Apolipoprotein C-Ii In The Presence Of Sds" . . . . . 100.00 79 100.00 100.00 1.82e-48 . . . . 6143 1 3 no PDB 1O8T . "Global Structure And Dynamics Of Human Apolipoprotein Cii In Complex With Micelles: Evidence For Increased Mobility Of The Heli" . . . . . 100.00 79 100.00 100.00 1.82e-48 . . . . 6143 1 4 no PDB 1SOH . "The Structure Of Human Apolipoprotein C-Ii In Dodecyl Phosphocholine" . . . . . 100.00 79 100.00 100.00 1.82e-48 . . . . 6143 1 5 no EMBL CAA25234 . "apoCII protein [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 2.73e-48 . . . . 6143 1 6 no EMBL CAA28798 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 2.73e-48 . . . . 6143 1 7 no GB AAA51743 . "apolipoprotein C-II, partial [Homo sapiens]" . . . . . 100.00 91 100.00 100.00 2.27e-48 . . . . 6143 1 8 no GB AAA98743 . "apolipoprotein CII [Homo sapiens]" . . . . . 78.48 84 100.00 100.00 5.45e-35 . . . . 6143 1 9 no GB AAB21042 . "apolipoprotein CII, apoCII [human, Peptide, 79 aa]" . . . . . 100.00 79 100.00 100.00 1.82e-48 . . . . 6143 1 10 no GB AAB59380 . "apolipoprotein C-II [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 2.73e-48 . . . . 6143 1 11 no GB AAH05348 . "Apolipoprotein C-II [Homo sapiens]" . . . . . 100.00 101 98.73 98.73 2.11e-47 . . . . 6143 1 12 no PRF 1303321A . "apolipoprotein CII" . . . . . 100.00 91 100.00 100.00 2.27e-48 . . . . 6143 1 13 no REF NP_000474 . "apolipoprotein C-II precursor [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 2.73e-48 . . . . 6143 1 14 no REF NP_001230828 . "apolipoprotein C-II precursor [Pan troglodytes]" . . . . . 100.00 101 98.73 98.73 3.75e-47 . . . . 6143 1 15 no REF XP_008969010 . "PREDICTED: apolipoprotein C-II [Pan paniscus]" . . . . . 100.00 101 98.73 98.73 3.75e-47 . . . . 6143 1 16 no SP P02655 . "RecName: Full=Apolipoprotein C-II; Short=Apo-CII; Short=ApoC-II; AltName: Full=Apolipoprotein C2; Contains: RecName: Full=Proap" . . . . . 100.00 101 100.00 100.00 2.73e-48 . . . . 6143 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'blood lipid transport and metabolism' 6143 1 'lipoprotien lipase cofactor' 6143 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID apoC-II common 6143 1 apoC-II abbreviation 6143 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 THR . 6143 1 2 2 GLN . 6143 1 3 3 GLN . 6143 1 4 4 PRO . 6143 1 5 5 GLN . 6143 1 6 6 GLN . 6143 1 7 7 ASP . 6143 1 8 8 GLU . 6143 1 9 9 MET . 6143 1 10 10 PRO . 6143 1 11 11 SER . 6143 1 12 12 PRO . 6143 1 13 13 THR . 6143 1 14 14 PHE . 6143 1 15 15 LEU . 6143 1 16 16 THR . 6143 1 17 17 GLN . 6143 1 18 18 VAL . 6143 1 19 19 LYS . 6143 1 20 20 GLU . 6143 1 21 21 SER . 6143 1 22 22 LEU . 6143 1 23 23 SER . 6143 1 24 24 SER . 6143 1 25 25 TYR . 6143 1 26 26 TRP . 6143 1 27 27 GLU . 6143 1 28 28 SER . 6143 1 29 29 ALA . 6143 1 30 30 LYS . 6143 1 31 31 THR . 6143 1 32 32 ALA . 6143 1 33 33 ALA . 6143 1 34 34 GLN . 6143 1 35 35 ASN . 6143 1 36 36 LEU . 6143 1 37 37 TYR . 6143 1 38 38 GLU . 6143 1 39 39 LYS . 6143 1 40 40 THR . 6143 1 41 41 TYR . 6143 1 42 42 LEU . 6143 1 43 43 PRO . 6143 1 44 44 ALA . 6143 1 45 45 VAL . 6143 1 46 46 ASP . 6143 1 47 47 GLU . 6143 1 48 48 LYS . 6143 1 49 49 LEU . 6143 1 50 50 ARG . 6143 1 51 51 ASP . 6143 1 52 52 LEU . 6143 1 53 53 TYR . 6143 1 54 54 SER . 6143 1 55 55 LYS . 6143 1 56 56 SER . 6143 1 57 57 THR . 6143 1 58 58 ALA . 6143 1 59 59 ALA . 6143 1 60 60 MET . 6143 1 61 61 SER . 6143 1 62 62 THR . 6143 1 63 63 TYR . 6143 1 64 64 THR . 6143 1 65 65 GLY . 6143 1 66 66 ILE . 6143 1 67 67 PHE . 6143 1 68 68 THR . 6143 1 69 69 ASP . 6143 1 70 70 GLN . 6143 1 71 71 VAL . 6143 1 72 72 LEU . 6143 1 73 73 SER . 6143 1 74 74 VAL . 6143 1 75 75 LEU . 6143 1 76 76 LYS . 6143 1 77 77 GLY . 6143 1 78 78 GLU . 6143 1 79 79 GLU . 6143 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 . THR 1 1 6143 1 . GLN 2 2 6143 1 . GLN 3 3 6143 1 . PRO 4 4 6143 1 . GLN 5 5 6143 1 . GLN 6 6 6143 1 . ASP 7 7 6143 1 . GLU 8 8 6143 1 . MET 9 9 6143 1 . PRO 10 10 6143 1 . SER 11 11 6143 1 . PRO 12 12 6143 1 . THR 13 13 6143 1 . PHE 14 14 6143 1 . LEU 15 15 6143 1 . THR 16 16 6143 1 . GLN 17 17 6143 1 . VAL 18 18 6143 1 . LYS 19 19 6143 1 . GLU 20 20 6143 1 . SER 21 21 6143 1 . LEU 22 22 6143 1 . SER 23 23 6143 1 . SER 24 24 6143 1 . TYR 25 25 6143 1 . TRP 26 26 6143 1 . GLU 27 27 6143 1 . SER 28 28 6143 1 . ALA 29 29 6143 1 . LYS 30 30 6143 1 . THR 31 31 6143 1 . ALA 32 32 6143 1 . ALA 33 33 6143 1 . GLN 34 34 6143 1 . ASN 35 35 6143 1 . LEU 36 36 6143 1 . TYR 37 37 6143 1 . GLU 38 38 6143 1 . LYS 39 39 6143 1 . THR 40 40 6143 1 . TYR 41 41 6143 1 . LEU 42 42 6143 1 . PRO 43 43 6143 1 . ALA 44 44 6143 1 . VAL 45 45 6143 1 . ASP 46 46 6143 1 . GLU 47 47 6143 1 . LYS 48 48 6143 1 . LEU 49 49 6143 1 . ARG 50 50 6143 1 . ASP 51 51 6143 1 . LEU 52 52 6143 1 . TYR 53 53 6143 1 . SER 54 54 6143 1 . LYS 55 55 6143 1 . SER 56 56 6143 1 . THR 57 57 6143 1 . ALA 58 58 6143 1 . ALA 59 59 6143 1 . MET 60 60 6143 1 . SER 61 61 6143 1 . THR 62 62 6143 1 . TYR 63 63 6143 1 . THR 64 64 6143 1 . GLY 65 65 6143 1 . ILE 66 66 6143 1 . PHE 67 67 6143 1 . THR 68 68 6143 1 . ASP 69 69 6143 1 . GLN 70 70 6143 1 . VAL 71 71 6143 1 . LEU 72 72 6143 1 . SER 73 73 6143 1 . VAL 74 74 6143 1 . LEU 75 75 6143 1 . LYS 76 76 6143 1 . GLY 77 77 6143 1 . GLU 78 78 6143 1 . GLU 79 79 6143 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 6143 _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 $apolipoprotein_C-II . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6143 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 6143 _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 $apolipoprotein_C-II . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6143 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6143 _Sample.ID 1 _Sample.Type micelle _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 apoC-II [U-15N] . . 1 $apolipoprotein_C-II . . 1.8 . . mM . . . . 6143 1 2 DPC . . . . . . . 85 . . mM . . . . 6143 1 3 'sodium acetate' . . . . . . . 20 . . mM . . . . 6143 1 4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 6143 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6143 _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 5.0 0.1 pH 6143 1 temperature 308 0.1 K 6143 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6143 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6143 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Inova . 500 . . . 6143 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 6143 _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 HMQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6143 1 2 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6143 1 3 '1H-15C TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6143 1 4 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6143 1 5 HNHB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6143 1 stop_ 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 6143 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6143 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6143 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6143 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6143 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 13 13 THR H H 1 8.272 0.003 . 1 . . . . 13 . . . 6143 1 2 . 1 1 13 13 THR N N 15 113.482 0.002 . 1 . . . . 13 . . . 6143 1 3 . 1 1 13 13 THR HA H 1 4.447 0.002 . 1 . . . . 13 . . . 6143 1 4 . 1 1 13 13 THR HB H 1 4.638 0.011 . 1 . . . . 13 . . . 6143 1 5 . 1 1 13 13 THR HG21 H 1 1.374 0.013 . 1 . . . . 13 . . . 6143 1 6 . 1 1 13 13 THR HG22 H 1 1.374 0.013 . 1 . . . . 13 . . . 6143 1 7 . 1 1 13 13 THR HG23 H 1 1.374 0.013 . 1 . . . . 13 . . . 6143 1 8 . 1 1 14 14 PHE H H 1 8.859 0.003 . 1 . . . . 14 . . . 6143 1 9 . 1 1 14 14 PHE N N 15 123.438 0.002 . 1 . . . . 14 . . . 6143 1 10 . 1 1 14 14 PHE HA H 1 4.488 0.008 . 1 . . . . 14 . . . 6143 1 11 . 1 1 14 14 PHE HB2 H 1 3.170 0.002 . 2 . . . . 14 . . . 6143 1 12 . 1 1 15 15 LEU H H 1 8.501 0.002 . 1 . . . . 15 . . . 6143 1 13 . 1 1 15 15 LEU N N 15 118.271 0.002 . 1 . . . . 15 . . . 6143 1 14 . 1 1 15 15 LEU HA H 1 3.922 0.002 . 1 . . . . 15 . . . 6143 1 15 . 1 1 15 15 LEU HB2 H 1 1.641 0.006 . 2 . . . . 15 . . . 6143 1 16 . 1 1 15 15 LEU HD11 H 1 1.015 0.005 . 1 . . . . 15 . . . 6143 1 17 . 1 1 15 15 LEU HD12 H 1 1.015 0.005 . 1 . . . . 15 . . . 6143 1 18 . 1 1 15 15 LEU HD13 H 1 1.015 0.005 . 1 . . . . 15 . . . 6143 1 19 . 1 1 15 15 LEU HG H 1 1.831 0.006 . 1 . . . . 15 . . . 6143 1 20 . 1 1 16 16 THR H H 1 7.828 0.003 . 1 . . . . 16 . . . 6143 1 21 . 1 1 16 16 THR N N 15 115.759 0.002 . 1 . . . . 16 . . . 6143 1 22 . 1 1 16 16 THR HA H 1 3.907 0.010 . 1 . . . . 16 . . . 6143 1 23 . 1 1 16 16 THR HB H 1 4.357 0.009 . 1 . . . . 16 . . . 6143 1 24 . 1 1 16 16 THR HG21 H 1 1.329 0.001 . 1 . . . . 16 . . . 6143 1 25 . 1 1 16 16 THR HG22 H 1 1.329 0.001 . 1 . . . . 16 . . . 6143 1 26 . 1 1 16 16 THR HG23 H 1 1.329 0.001 . 1 . . . . 16 . . . 6143 1 27 . 1 1 17 17 GLN H H 1 7.996 0.001 . 1 . . . . 17 . . . 6143 1 28 . 1 1 17 17 GLN N N 15 121.322 0.001 . 1 . . . . 17 . . . 6143 1 29 . 1 1 17 17 GLN HA H 1 4.173 0.003 . 1 . . . . 17 . . . 6143 1 30 . 1 1 17 17 GLN HB2 H 1 2.149 0.002 . 2 . . . . 17 . . . 6143 1 31 . 1 1 18 18 VAL H H 1 8.243 0.001 . 1 . . . . 18 . . . 6143 1 32 . 1 1 18 18 VAL N N 15 120.709 0.004 . 1 . . . . 18 . . . 6143 1 33 . 1 1 18 18 VAL HA H 1 3.590 0.007 . 1 . . . . 18 . . . 6143 1 34 . 1 1 18 18 VAL HB H 1 2.126 0.020 . 1 . . . . 18 . . . 6143 1 35 . 1 1 18 18 VAL HG11 H 1 0.719 0.009 . 2 . . . . 18 . . . 6143 1 36 . 1 1 18 18 VAL HG12 H 1 0.719 0.009 . 2 . . . . 18 . . . 6143 1 37 . 1 1 18 18 VAL HG13 H 1 0.719 0.009 . 2 . . . . 18 . . . 6143 1 38 . 1 1 18 18 VAL HG21 H 1 0.895 0.011 . 2 . . . . 18 . . . 6143 1 39 . 1 1 18 18 VAL HG22 H 1 0.895 0.011 . 2 . . . . 18 . . . 6143 1 40 . 1 1 18 18 VAL HG23 H 1 0.895 0.011 . 2 . . . . 18 . . . 6143 1 41 . 1 1 19 19 LYS H H 1 8.240 0.002 . 1 . . . . 19 . . . 6143 1 42 . 1 1 19 19 LYS N N 15 119.943 0.002 . 1 . . . . 19 . . . 6143 1 43 . 1 1 19 19 LYS HA H 1 3.826 0.006 . 1 . . . . 19 . . . 6143 1 44 . 1 1 19 19 LYS HB2 H 1 1.982 0.008 . 2 . . . . 19 . . . 6143 1 45 . 1 1 20 20 GLU H H 1 8.339 0.003 . 1 . . . . 20 . . . 6143 1 46 . 1 1 20 20 GLU N N 15 118.180 0.005 . 1 . . . . 20 . . . 6143 1 47 . 1 1 20 20 GLU HA H 1 4.171 0.002 . 1 . . . . 20 . . . 6143 1 48 . 1 1 20 20 GLU HB2 H 1 2.205 0.009 . 2 . . . . 20 . . . 6143 1 49 . 1 1 20 20 GLU HG2 H 1 2.591 0.001 . 2 . . . . 20 . . . 6143 1 50 . 1 1 21 21 SER H H 1 8.233 0.002 . 1 . . . . 21 . . . 6143 1 51 . 1 1 21 21 SER N N 15 116.687 0.002 . 1 . . . . 21 . . . 6143 1 52 . 1 1 21 21 SER HA H 1 4.449 0.002 . 1 . . . . 21 . . . 6143 1 53 . 1 1 21 21 SER HB2 H 1 3.960 0.008 . 2 . . . . 21 . . . 6143 1 54 . 1 1 21 21 SER HB3 H 1 4.104 0.013 . 2 . . . . 21 . . . 6143 1 55 . 1 1 22 22 LEU H H 1 8.370 0.001 . 1 . . . . 22 . . . 6143 1 56 . 1 1 22 22 LEU N N 15 120.693 0.002 . 1 . . . . 22 . . . 6143 1 57 . 1 1 22 22 LEU HA H 1 4.394 0.014 . 1 . . . . 22 . . . 6143 1 58 . 1 1 22 22 LEU HB2 H 1 1.678 0.002 . 2 . . . . 22 . . . 6143 1 59 . 1 1 22 22 LEU HD11 H 1 0.941 0.003 . 2 . . . . 22 . . . 6143 1 60 . 1 1 22 22 LEU HD12 H 1 0.941 0.003 . 2 . . . . 22 . . . 6143 1 61 . 1 1 22 22 LEU HD13 H 1 0.941 0.003 . 2 . . . . 22 . . . 6143 1 62 . 1 1 22 22 LEU HG H 1 1.973 0.003 . 1 . . . . 22 . . . 6143 1 63 . 1 1 23 23 SER H H 1 8.260 0.002 . 1 . . . . 23 . . . 6143 1 64 . 1 1 23 23 SER N N 15 113.863 0.002 . 1 . . . . 23 . . . 6143 1 65 . 1 1 23 23 SER HA H 1 4.284 0.009 . 1 . . . . 23 . . . 6143 1 66 . 1 1 23 23 SER HB2 H 1 4.148 0.005 . 2 . . . . 23 . . . 6143 1 67 . 1 1 24 24 SER H H 1 8.145 0.002 . 1 . . . . 24 . . . 6143 1 68 . 1 1 24 24 SER N N 15 116.649 0.002 . 1 . . . . 24 . . . 6143 1 69 . 1 1 24 24 SER HA H 1 4.403 0.007 . 1 . . . . 24 . . . 6143 1 70 . 1 1 24 24 SER HB2 H 1 3.944 0.003 . 2 . . . . 24 . . . 6143 1 71 . 1 1 25 25 TYR H H 1 8.136 0.001 . 1 . . . . 25 . . . 6143 1 72 . 1 1 25 25 TYR N N 15 120.926 0.002 . 1 . . . . 25 . . . 6143 1 73 . 1 1 25 25 TYR HA H 1 4.539 0.009 . 1 . . . . 25 . . . 6143 1 74 . 1 1 25 25 TYR HB2 H 1 3.184 0.016 . 2 . . . . 25 . . . 6143 1 75 . 1 1 26 26 TRP H H 1 8.391 0.003 . 1 . . . . 26 . . . 6143 1 76 . 1 1 26 26 TRP N N 15 121.409 0.002 . 1 . . . . 26 . . . 6143 1 77 . 1 1 26 26 TRP HA H 1 4.678 0.002 . 1 . . . . 26 . . . 6143 1 78 . 1 1 26 26 TRP HB2 H 1 2.739 0.002 . 2 . . . . 26 . . . 6143 1 79 . 1 1 27 27 GLU H H 1 8.498 0.002 . 1 . . . . 27 . . . 6143 1 80 . 1 1 27 27 GLU N N 15 116.882 0.001 . 1 . . . . 27 . . . 6143 1 81 . 1 1 27 27 GLU HA H 1 3.862 0.007 . 1 . . . . 27 . . . 6143 1 82 . 1 1 27 27 GLU HB2 H 1 2.204 0.002 . 2 . . . . 27 . . . 6143 1 83 . 1 1 28 28 SER H H 1 8.113 0.001 . 1 . . . . 28 . . . 6143 1 84 . 1 1 28 28 SER N N 15 115.857 0.002 . 1 . . . . 28 . . . 6143 1 85 . 1 1 28 28 SER HA H 1 4.296 0.022 . 1 . . . . 28 . . . 6143 1 86 . 1 1 28 28 SER HB2 H 1 4.003 0.002 . 2 . . . . 28 . . . 6143 1 87 . 1 1 28 28 SER HB3 H 1 4.097 0.002 . 2 . . . . 28 . . . 6143 1 88 . 1 1 29 29 ALA H H 1 8.539 0.003 . 1 . . . . 29 . . . 6143 1 89 . 1 1 29 29 ALA N N 15 111.068 0.002 . 1 . . . . 29 . . . 6143 1 90 . 1 1 29 29 ALA HA H 1 4.057 0.021 . 1 . . . . 29 . . . 6143 1 91 . 1 1 29 29 ALA HB1 H 1 1.495 0.014 . 1 . . . . 29 . . . 6143 1 92 . 1 1 29 29 ALA HB2 H 1 1.495 0.014 . 1 . . . . 29 . . . 6143 1 93 . 1 1 29 29 ALA HB3 H 1 1.495 0.014 . 1 . . . . 29 . . . 6143 1 94 . 1 1 30 30 LYS H H 1 8.202 0.006 . 1 . . . . 30 . . . 6143 1 95 . 1 1 30 30 LYS N N 15 117.620 0.002 . 1 . . . . 30 . . . 6143 1 96 . 1 1 30 30 LYS HA H 1 3.590 0.006 . 1 . . . . 30 . . . 6143 1 97 . 1 1 30 30 LYS HB2 H 1 1.420 0.002 . 2 . . . . 30 . . . 6143 1 98 . 1 1 31 31 THR H H 1 7.864 0.007 . 1 . . . . 31 . . . 6143 1 99 . 1 1 31 31 THR N N 15 115.548 0.002 . 1 . . . . 31 . . . 6143 1 100 . 1 1 31 31 THR HA H 1 3.976 0.002 . 1 . . . . 31 . . . 6143 1 101 . 1 1 31 31 THR HG21 H 1 1.314 0.006 . 1 . . . . 31 . . . 6143 1 102 . 1 1 31 31 THR HG22 H 1 1.314 0.006 . 1 . . . . 31 . . . 6143 1 103 . 1 1 31 31 THR HG23 H 1 1.314 0.006 . 1 . . . . 31 . . . 6143 1 104 . 1 1 32 32 ALA H H 1 8.078 0.002 . 1 . . . . 32 . . . 6143 1 105 . 1 1 32 32 ALA N N 15 124.564 0.002 . 1 . . . . 32 . . . 6143 1 106 . 1 1 32 32 ALA HA H 1 4.254 0.007 . 1 . . . . 32 . . . 6143 1 107 . 1 1 32 32 ALA HB1 H 1 1.561 0.002 . 1 . . . . 32 . . . 6143 1 108 . 1 1 32 32 ALA HB2 H 1 1.561 0.002 . 1 . . . . 32 . . . 6143 1 109 . 1 1 32 32 ALA HB3 H 1 1.561 0.002 . 1 . . . . 32 . . . 6143 1 110 . 1 1 33 33 ALA H H 1 8.495 0.011 . 1 . . . . 33 . . . 6143 1 111 . 1 1 33 33 ALA N N 15 120.094 0.001 . 1 . . . . 33 . . . 6143 1 112 . 1 1 33 33 ALA HA H 1 4.049 0.004 . 1 . . . . 33 . . . 6143 1 113 . 1 1 33 33 ALA HB1 H 1 1.536 0.018 . 1 . . . . 33 . . . 6143 1 114 . 1 1 33 33 ALA HB2 H 1 1.536 0.018 . 1 . . . . 33 . . . 6143 1 115 . 1 1 33 33 ALA HB3 H 1 1.536 0.018 . 1 . . . . 33 . . . 6143 1 116 . 1 1 34 34 GLN H H 1 8.157 0.001 . 1 . . . . 34 . . . 6143 1 117 . 1 1 34 34 GLN N N 15 117.041 0.002 . 1 . . . . 34 . . . 6143 1 118 . 1 1 34 34 GLN HA H 1 4.006 0.005 . 1 . . . . 34 . . . 6143 1 119 . 1 1 34 34 GLN HB2 H 1 2.250 0.020 . 2 . . . . 34 . . . 6143 1 120 . 1 1 34 34 GLN HG2 H 1 2.554 0.004 . 2 . . . . 34 . . . 6143 1 121 . 1 1 35 35 ASN H H 1 8.154 0.001 . 1 . . . . 35 . . . 6143 1 122 . 1 1 35 35 ASN N N 15 117.556 0.003 . 1 . . . . 35 . . . 6143 1 123 . 1 1 35 35 ASN HA H 1 4.587 0.006 . 1 . . . . 35 . . . 6143 1 124 . 1 1 35 35 ASN HB2 H 1 2.868 0.002 . 2 . . . . 35 . . . 6143 1 125 . 1 1 35 35 ASN HB3 H 1 2.994 0.003 . 2 . . . . 35 . . . 6143 1 126 . 1 1 36 36 LEU H H 1 8.146 0.001 . 1 . . . . 36 . . . 6143 1 127 . 1 1 36 36 LEU N N 15 120.139 0.005 . 1 . . . . 36 . . . 6143 1 128 . 1 1 36 36 LEU HA H 1 4.209 0.002 . 1 . . . . 36 . . . 6143 1 129 . 1 1 36 36 LEU HB2 H 1 1.703 0.008 . 2 . . . . 36 . . . 6143 1 130 . 1 1 36 36 LEU HD11 H 1 0.958 0.003 . 1 . . . . 36 . . . 6143 1 131 . 1 1 36 36 LEU HD12 H 1 0.958 0.003 . 1 . . . . 36 . . . 6143 1 132 . 1 1 36 36 LEU HD13 H 1 0.958 0.003 . 1 . . . . 36 . . . 6143 1 133 . 1 1 36 36 LEU HG H 1 1.897 0.007 . 1 . . . . 36 . . . 6143 1 134 . 1 1 37 37 TYR H H 1 8.403 0.004 . 1 . . . . 37 . . . 6143 1 135 . 1 1 37 37 TYR N N 15 119.843 0.003 . 1 . . . . 37 . . . 6143 1 136 . 1 1 37 37 TYR HA H 1 4.226 0.007 . 1 . . . . 37 . . . 6143 1 137 . 1 1 37 37 TYR HB2 H 1 3.275 0.011 . 2 . . . . 37 . . . 6143 1 138 . 1 1 38 38 GLU H H 1 8.082 0.003 . 1 . . . . 38 . . . 6143 1 139 . 1 1 38 38 GLU N N 15 116.779 0.002 . 1 . . . . 38 . . . 6143 1 140 . 1 1 38 38 GLU HA H 1 4.080 0.018 . 1 . . . . 38 . . . 6143 1 141 . 1 1 38 38 GLU HB2 H 1 2.199 0.019 . 2 . . . . 38 . . . 6143 1 142 . 1 1 39 39 LYS H H 1 7.841 0.004 . 1 . . . . 39 . . . 6143 1 143 . 1 1 39 39 LYS N N 15 117.137 0.002 . 1 . . . . 39 . . . 6143 1 144 . 1 1 39 39 LYS HA H 1 4.376 0.007 . 1 . . . . 39 . . . 6143 1 145 . 1 1 39 39 LYS HB2 H 1 1.981 0.007 . 2 . . . . 39 . . . 6143 1 146 . 1 1 40 40 THR H H 1 7.679 0.003 . 1 . . . . 40 . . . 6143 1 147 . 1 1 40 40 THR N N 15 113.116 0.003 . 1 . . . . 40 . . . 6143 1 148 . 1 1 40 40 THR HA H 1 4.209 0.006 . 1 . . . . 40 . . . 6143 1 149 . 1 1 40 40 THR HG21 H 1 1.180 0.001 . 1 . . . . 40 . . . 6143 1 150 . 1 1 40 40 THR HG22 H 1 1.180 0.001 . 1 . . . . 40 . . . 6143 1 151 . 1 1 40 40 THR HG23 H 1 1.180 0.001 . 1 . . . . 40 . . . 6143 1 152 . 1 1 41 41 TYR H H 1 7.930 0.002 . 1 . . . . 41 . . . 6143 1 153 . 1 1 41 41 TYR N N 15 121.410 0.002 . 1 . . . . 41 . . . 6143 1 154 . 1 1 41 41 TYR HA H 1 4.640 0.006 . 1 . . . . 41 . . . 6143 1 155 . 1 1 41 41 TYR HB2 H 1 2.991 0.002 . 2 . . . . 41 . . . 6143 1 156 . 1 1 41 41 TYR HB3 H 1 3.118 0.013 . 2 . . . . 41 . . . 6143 1 157 . 1 1 42 42 LEU H H 1 8.242 0.002 . 1 . . . . 42 . . . 6143 1 158 . 1 1 42 42 LEU N N 15 124.029 0.002 . 1 . . . . 42 . . . 6143 1 159 . 1 1 42 42 LEU HA H 1 4.470 0.003 . 1 . . . . 42 . . . 6143 1 160 . 1 1 44 44 ALA H H 1 7.984 0.002 . 1 . . . . 44 . . . 6143 1 161 . 1 1 44 44 ALA N N 15 119.259 0.002 . 1 . . . . 44 . . . 6143 1 162 . 1 1 44 44 ALA HA H 1 4.373 0.005 . 1 . . . . 44 . . . 6143 1 163 . 1 1 44 44 ALA HB1 H 1 1.576 0.006 . 1 . . . . 44 . . . 6143 1 164 . 1 1 44 44 ALA HB2 H 1 1.576 0.006 . 1 . . . . 44 . . . 6143 1 165 . 1 1 44 44 ALA HB3 H 1 1.576 0.006 . 1 . . . . 44 . . . 6143 1 166 . 1 1 45 45 VAL H H 1 7.819 0.003 . 1 . . . . 45 . . . 6143 1 167 . 1 1 45 45 VAL N N 15 118.558 0.002 . 1 . . . . 45 . . . 6143 1 168 . 1 1 45 45 VAL HA H 1 3.812 0.003 . 1 . . . . 45 . . . 6143 1 169 . 1 1 45 45 VAL HB H 1 2.358 0.002 . 1 . . . . 45 . . . 6143 1 170 . 1 1 45 45 VAL HG11 H 1 1.086 0.002 . 2 . . . . 45 . . . 6143 1 171 . 1 1 45 45 VAL HG12 H 1 1.086 0.002 . 2 . . . . 45 . . . 6143 1 172 . 1 1 45 45 VAL HG13 H 1 1.086 0.002 . 2 . . . . 45 . . . 6143 1 173 . 1 1 45 45 VAL HG21 H 1 0.991 0.013 . 2 . . . . 45 . . . 6143 1 174 . 1 1 45 45 VAL HG22 H 1 0.991 0.013 . 2 . . . . 45 . . . 6143 1 175 . 1 1 45 45 VAL HG23 H 1 0.991 0.013 . 2 . . . . 45 . . . 6143 1 176 . 1 1 46 46 ASP H H 1 8.289 0.003 . 1 . . . . 46 . . . 6143 1 177 . 1 1 46 46 ASP N N 15 118.951 0.003 . 1 . . . . 46 . . . 6143 1 178 . 1 1 46 46 ASP HA H 1 4.040 0.001 . 1 . . . . 46 . . . 6143 1 179 . 1 1 46 46 ASP HB2 H 1 2.000 0.007 . 2 . . . . 46 . . . 6143 1 180 . 1 1 47 47 GLU H H 1 8.240 0.001 . 1 . . . . 47 . . . 6143 1 181 . 1 1 47 47 GLU N N 15 118.293 0.002 . 1 . . . . 47 . . . 6143 1 182 . 1 1 47 47 GLU HA H 1 4.039 0.006 . 1 . . . . 47 . . . 6143 1 183 . 1 1 47 47 GLU HB2 H 1 2.180 0.010 . 2 . . . . 47 . . . 6143 1 184 . 1 1 48 48 LYS H H 1 7.853 0.004 . 1 . . . . 48 . . . 6143 1 185 . 1 1 48 48 LYS N N 15 119.393 0.002 . 1 . . . . 48 . . . 6143 1 186 . 1 1 48 48 LYS HA H 1 4.325 0.006 . 1 . . . . 48 . . . 6143 1 187 . 1 1 48 48 LYS HB2 H 1 2.040 0.002 . 2 . . . . 48 . . . 6143 1 188 . 1 1 49 49 LEU H H 1 8.452 0.004 . 1 . . . . 49 . . . 6143 1 189 . 1 1 49 49 LEU N N 15 119.577 0.002 . 1 . . . . 49 . . . 6143 1 190 . 1 1 49 49 LEU HA H 1 4.159 0.005 . 1 . . . . 49 . . . 6143 1 191 . 1 1 50 50 ARG H H 1 8.328 0.004 . 1 . . . . 50 . . . 6143 1 192 . 1 1 50 50 ARG N N 15 122.389 0.002 . 1 . . . . 50 . . . 6143 1 193 . 1 1 50 50 ARG HA H 1 4.821 0.002 . 1 . . . . 50 . . . 6143 1 194 . 1 1 50 50 ARG HB2 H 1 2.084 0.002 . 2 . . . . 50 . . . 6143 1 195 . 1 1 50 50 ARG HG2 H 1 2.686 0.002 . 2 . . . . 50 . . . 6143 1 196 . 1 1 50 50 ARG HD2 H 1 4.692 0.002 . 2 . . . . 50 . . . 6143 1 197 . 1 1 51 51 ASP H H 1 8.180 0.004 . 1 . . . . 51 . . . 6143 1 198 . 1 1 51 51 ASP N N 15 120.996 0.002 . 1 . . . . 51 . . . 6143 1 199 . 1 1 51 51 ASP HA H 1 4.569 0.004 . 1 . . . . 51 . . . 6143 1 200 . 1 1 51 51 ASP HB2 H 1 2.911 0.003 . 2 . . . . 51 . . . 6143 1 201 . 1 1 52 52 LEU H H 1 8.335 0.002 . 1 . . . . 52 . . . 6143 1 202 . 1 1 52 52 LEU N N 15 120.293 0.002 . 1 . . . . 52 . . . 6143 1 203 . 1 1 52 52 LEU HA H 1 4.157 0.002 . 1 . . . . 52 . . . 6143 1 204 . 1 1 52 52 LEU HB2 H 1 1.715 0.010 . 2 . . . . 52 . . . 6143 1 205 . 1 1 53 53 TYR H H 1 8.711 0.002 . 1 . . . . 53 . . . 6143 1 206 . 1 1 53 53 TYR N N 15 120.792 0.002 . 1 . . . . 53 . . . 6143 1 207 . 1 1 53 53 TYR HA H 1 4.201 0.002 . 1 . . . . 53 . . . 6143 1 208 . 1 1 53 53 TYR HB2 H 1 3.177 0.003 . 2 . . . . 53 . . . 6143 1 209 . 1 1 53 53 TYR HB3 H 1 3.316 0.002 . 2 . . . . 53 . . . 6143 1 210 . 1 1 54 54 SER H H 1 8.416 0.001 . 1 . . . . 54 . . . 6143 1 211 . 1 1 54 54 SER N N 15 115.895 0.001 . 1 . . . . 54 . . . 6143 1 212 . 1 1 54 54 SER HA H 1 4.158 0.010 . 1 . . . . 54 . . . 6143 1 213 . 1 1 55 55 LYS H H 1 8.122 0.005 . 1 . . . . 55 . . . 6143 1 214 . 1 1 55 55 LYS N N 15 120.647 0.007 . 1 . . . . 55 . . . 6143 1 215 . 1 1 55 55 LYS HA H 1 4.334 0.002 . 1 . . . . 55 . . . 6143 1 216 . 1 1 55 55 LYS HB2 H 1 1.977 0.008 . 2 . . . . 55 . . . 6143 1 217 . 1 1 56 56 SER H H 1 8.090 0.002 . 1 . . . . 56 . . . 6143 1 218 . 1 1 56 56 SER N N 15 115.976 0.006 . 1 . . . . 56 . . . 6143 1 219 . 1 1 56 56 SER HA H 1 4.358 0.004 . 1 . . . . 56 . . . 6143 1 220 . 1 1 56 56 SER HB2 H 1 3.958 0.012 . 2 . . . . 56 . . . 6143 1 221 . 1 1 57 57 THR H H 1 8.027 0.002 . 1 . . . . 57 . . . 6143 1 222 . 1 1 57 57 THR N N 15 114.613 0.002 . 1 . . . . 57 . . . 6143 1 223 . 1 1 57 57 THR HA H 1 4.093 0.003 . 1 . . . . 57 . . . 6143 1 224 . 1 1 57 57 THR HB H 1 4.258 0.002 . 1 . . . . 57 . . . 6143 1 225 . 1 1 57 57 THR HG21 H 1 1.141 0.012 . 1 . . . . 57 . . . 6143 1 226 . 1 1 57 57 THR HG22 H 1 1.141 0.012 . 1 . . . . 57 . . . 6143 1 227 . 1 1 57 57 THR HG23 H 1 1.141 0.012 . 1 . . . . 57 . . . 6143 1 228 . 1 1 58 58 ALA H H 1 7.975 0.002 . 1 . . . . 58 . . . 6143 1 229 . 1 1 58 58 ALA N N 15 124.988 0.001 . 1 . . . . 58 . . . 6143 1 230 . 1 1 58 58 ALA HA H 1 4.273 0.008 . 1 . . . . 58 . . . 6143 1 231 . 1 1 58 58 ALA HB1 H 1 1.531 0.002 . 1 . . . . 58 . . . 6143 1 232 . 1 1 58 58 ALA HB2 H 1 1.531 0.002 . 1 . . . . 58 . . . 6143 1 233 . 1 1 58 58 ALA HB3 H 1 1.531 0.002 . 1 . . . . 58 . . . 6143 1 234 . 1 1 59 59 ALA H H 1 8.024 0.003 . 1 . . . . 59 . . . 6143 1 235 . 1 1 59 59 ALA N N 15 120.990 0.001 . 1 . . . . 59 . . . 6143 1 236 . 1 1 59 59 ALA HA H 1 4.365 0.002 . 1 . . . . 59 . . . 6143 1 237 . 1 1 59 59 ALA HB1 H 1 1.565 0.006 . 1 . . . . 59 . . . 6143 1 238 . 1 1 59 59 ALA HB2 H 1 1.565 0.006 . 1 . . . . 59 . . . 6143 1 239 . 1 1 59 59 ALA HB3 H 1 1.565 0.006 . 1 . . . . 59 . . . 6143 1 240 . 1 1 60 60 MET H H 1 8.211 0.002 . 1 . . . . 60 . . . 6143 1 241 . 1 1 60 60 MET N N 15 116.928 0.002 . 1 . . . . 60 . . . 6143 1 242 . 1 1 60 60 MET HA H 1 4.413 0.002 . 1 . . . . 60 . . . 6143 1 243 . 1 1 60 60 MET HB2 H 1 2.234 0.005 . 2 . . . . 60 . . . 6143 1 244 . 1 1 61 61 SER H H 1 8.159 0.003 . 1 . . . . 61 . . . 6143 1 245 . 1 1 61 61 SER N N 15 114.638 0.001 . 1 . . . . 61 . . . 6143 1 246 . 1 1 61 61 SER HA H 1 4.409 0.007 . 1 . . . . 61 . . . 6143 1 247 . 1 1 61 61 SER HB2 H 1 4.069 0.010 . 2 . . . . 61 . . . 6143 1 248 . 1 1 62 62 THR H H 1 7.899 0.002 . 1 . . . . 62 . . . 6143 1 249 . 1 1 62 62 THR N N 15 115.716 0.002 . 1 . . . . 62 . . . 6143 1 250 . 1 1 62 62 THR HA H 1 4.217 0.001 . 1 . . . . 62 . . . 6143 1 251 . 1 1 62 62 THR HB H 1 4.145 0.001 . 1 . . . . 62 . . . 6143 1 252 . 1 1 62 62 THR HG21 H 1 1.087 0.002 . 1 . . . . 62 . . . 6143 1 253 . 1 1 62 62 THR HG22 H 1 1.087 0.002 . 1 . . . . 62 . . . 6143 1 254 . 1 1 62 62 THR HG23 H 1 1.087 0.002 . 1 . . . . 62 . . . 6143 1 255 . 1 1 63 63 TYR H H 1 8.026 0.003 . 1 . . . . 63 . . . 6143 1 256 . 1 1 63 63 TYR N N 15 120.517 0.002 . 1 . . . . 63 . . . 6143 1 257 . 1 1 63 63 TYR HA H 1 4.609 0.005 . 1 . . . . 63 . . . 6143 1 258 . 1 1 63 63 TYR HB2 H 1 3.048 0.002 . 2 . . . . 63 . . . 6143 1 259 . 1 1 63 63 TYR HB3 H 1 3.246 0.004 . 2 . . . . 63 . . . 6143 1 260 . 1 1 64 64 THR H H 1 8.067 0.004 . 1 . . . . 64 . . . 6143 1 261 . 1 1 64 64 THR N N 15 112.674 0.002 . 1 . . . . 64 . . . 6143 1 262 . 1 1 64 64 THR HA H 1 4.191 0.008 . 1 . . . . 64 . . . 6143 1 263 . 1 1 64 64 THR HB H 1 4.384 0.002 . 1 . . . . 64 . . . 6143 1 264 . 1 1 64 64 THR HG21 H 1 1.341 0.013 . 1 . . . . 64 . . . 6143 1 265 . 1 1 64 64 THR HG22 H 1 1.341 0.013 . 1 . . . . 64 . . . 6143 1 266 . 1 1 64 64 THR HG23 H 1 1.341 0.013 . 1 . . . . 64 . . . 6143 1 267 . 1 1 65 65 GLY H H 1 8.257 0.002 . 1 . . . . 65 . . . 6143 1 268 . 1 1 65 65 GLY N N 15 110.910 0.002 . 1 . . . . 65 . . . 6143 1 269 . 1 1 65 65 GLY HA2 H 1 4.033 0.009 . 2 . . . . 65 . . . 6143 1 270 . 1 1 66 66 ILE H H 1 7.794 0.004 . 1 . . . . 66 . . . 6143 1 271 . 1 1 66 66 ILE N N 15 119.815 0.008 . 1 . . . . 66 . . . 6143 1 272 . 1 1 66 66 ILE HA H 1 4.145 0.012 . 1 . . . . 66 . . . 6143 1 273 . 1 1 67 67 PHE H H 1 8.240 0.002 . 1 . . . . 67 . . . 6143 1 274 . 1 1 67 67 PHE N N 15 120.212 0.002 . 1 . . . . 67 . . . 6143 1 275 . 1 1 67 67 PHE HA H 1 4.531 0.007 . 1 . . . . 67 . . . 6143 1 276 . 1 1 67 67 PHE HB2 H 1 3.256 0.006 . 2 . . . . 67 . . . 6143 1 277 . 1 1 68 68 THR H H 1 8.226 0.002 . 1 . . . . 68 . . . 6143 1 278 . 1 1 68 68 THR N N 15 113.498 0.002 . 1 . . . . 68 . . . 6143 1 279 . 1 1 68 68 THR HA H 1 4.011 0.010 . 1 . . . . 68 . . . 6143 1 280 . 1 1 68 68 THR HB H 1 4.459 0.002 . 1 . . . . 68 . . . 6143 1 281 . 1 1 68 68 THR HG21 H 1 1.345 0.012 . 1 . . . . 68 . . . 6143 1 282 . 1 1 68 68 THR HG22 H 1 1.345 0.012 . 1 . . . . 68 . . . 6143 1 283 . 1 1 68 68 THR HG23 H 1 1.345 0.012 . 1 . . . . 68 . . . 6143 1 284 . 1 1 69 69 ASP H H 1 8.439 0.005 . 1 . . . . 69 . . . 6143 1 285 . 1 1 69 69 ASP N N 15 120.550 0.002 . 1 . . . . 69 . . . 6143 1 286 . 1 1 69 69 ASP HA H 1 4.485 0.005 . 1 . . . . 69 . . . 6143 1 287 . 1 1 69 69 ASP HB2 H 1 2.838 0.028 . 2 . . . . 69 . . . 6143 1 288 . 1 1 70 70 GLN H H 1 8.205 0.002 . 1 . . . . 70 . . . 6143 1 289 . 1 1 70 70 GLN N N 15 119.048 0.002 . 1 . . . . 70 . . . 6143 1 290 . 1 1 70 70 GLN HA H 1 4.225 0.009 . 1 . . . . 70 . . . 6143 1 291 . 1 1 70 70 GLN HB2 H 1 2.215 0.002 . 2 . . . . 70 . . . 6143 1 292 . 1 1 70 70 GLN HG2 H 1 2.480 0.005 . 2 . . . . 70 . . . 6143 1 293 . 1 1 71 71 VAL H H 1 7.948 0.003 . 1 . . . . 71 . . . 6143 1 294 . 1 1 71 71 VAL N N 15 119.577 0.002 . 1 . . . . 71 . . . 6143 1 295 . 1 1 71 71 VAL HA H 1 3.678 0.010 . 1 . . . . 71 . . . 6143 1 296 . 1 1 71 71 VAL HB H 1 2.180 0.009 . 1 . . . . 71 . . . 6143 1 297 . 1 1 71 71 VAL HG11 H 1 0.939 0.014 . 1 . . . . 71 . . . 6143 1 298 . 1 1 71 71 VAL HG12 H 1 0.939 0.014 . 1 . . . . 71 . . . 6143 1 299 . 1 1 71 71 VAL HG13 H 1 0.939 0.014 . 1 . . . . 71 . . . 6143 1 300 . 1 1 72 72 LEU H H 1 8.297 0.003 . 1 . . . . 72 . . . 6143 1 301 . 1 1 72 72 LEU N N 15 118.651 0.002 . 1 . . . . 72 . . . 6143 1 302 . 1 1 72 72 LEU HA H 1 4.060 0.002 . 1 . . . . 72 . . . 6143 1 303 . 1 1 72 72 LEU HB2 H 1 1.640 0.014 . 2 . . . . 72 . . . 6143 1 304 . 1 1 73 73 SER H H 1 7.964 0.003 . 1 . . . . 73 . . . 6143 1 305 . 1 1 73 73 SER N N 15 113.886 0.001 . 1 . . . . 73 . . . 6143 1 306 . 1 1 73 73 SER HA H 1 4.226 0.001 . 1 . . . . 73 . . . 6143 1 307 . 1 1 73 73 SER HB2 H 1 4.060 0.005 . 2 . . . . 73 . . . 6143 1 308 . 1 1 74 74 VAL H H 1 7.635 0.003 . 1 . . . . 74 . . . 6143 1 309 . 1 1 74 74 VAL N N 15 120.878 0.002 . 1 . . . . 74 . . . 6143 1 310 . 1 1 74 74 VAL HA H 1 3.985 0.002 . 1 . . . . 74 . . . 6143 1 311 . 1 1 74 74 VAL HB H 1 2.329 0.003 . 1 . . . . 74 . . . 6143 1 312 . 1 1 74 74 VAL HG11 H 1 1.165 0.002 . 2 . . . . 74 . . . 6143 1 313 . 1 1 74 74 VAL HG12 H 1 1.165 0.002 . 2 . . . . 74 . . . 6143 1 314 . 1 1 74 74 VAL HG13 H 1 1.165 0.002 . 2 . . . . 74 . . . 6143 1 315 . 1 1 74 74 VAL HG21 H 1 1.039 0.008 . 2 . . . . 74 . . . 6143 1 316 . 1 1 74 74 VAL HG22 H 1 1.039 0.008 . 2 . . . . 74 . . . 6143 1 317 . 1 1 74 74 VAL HG23 H 1 1.039 0.008 . 2 . . . . 74 . . . 6143 1 318 . 1 1 75 75 LEU H H 1 7.921 0.002 . 1 . . . . 75 . . . 6143 1 319 . 1 1 75 75 LEU N N 15 119.352 0.002 . 1 . . . . 75 . . . 6143 1 320 . 1 1 75 75 LEU HA H 1 4.172 0.002 . 1 . . . . 75 . . . 6143 1 321 . 1 1 76 76 LYS H H 1 7.996 0.002 . 1 . . . . 76 . . . 6143 1 322 . 1 1 76 76 LYS N N 15 116.770 0.003 . 1 . . . . 76 . . . 6143 1 323 . 1 1 76 76 LYS HA H 1 4.222 0.016 . 1 . . . . 76 . . . 6143 1 324 . 1 1 76 76 LYS HB2 H 1 1.939 0.011 . 2 . . . . 76 . . . 6143 1 325 . 1 1 77 77 GLY H H 1 7.975 0.002 . 1 . . . . 77 . . . 6143 1 326 . 1 1 77 77 GLY N N 15 122.540 0.002 . 1 . . . . 77 . . . 6143 1 327 . 1 1 77 77 GLY HA2 H 1 4.057 0.002 . 2 . . . . 77 . . . 6143 1 328 . 1 1 78 78 GLU H H 1 8.114 0.003 . 1 . . . . 78 . . . 6143 1 329 . 1 1 78 78 GLU N N 15 119.518 0.004 . 1 . . . . 78 . . . 6143 1 330 . 1 1 78 78 GLU HA H 1 4.445 0.002 . 1 . . . . 78 . . . 6143 1 331 . 1 1 78 78 GLU HB2 H 1 2.024 0.002 . 2 . . . . 78 . . . 6143 1 332 . 1 1 78 78 GLU HB3 H 1 2.251 0.012 . 2 . . . . 78 . . . 6143 1 333 . 1 1 78 78 GLU HG2 H 1 2.422 0.002 . 2 . . . . 78 . . . 6143 1 334 . 1 1 79 79 GLU H H 1 7.870 0.002 . 1 . . . . 79 . . . 6143 1 335 . 1 1 79 79 GLU N N 15 124.695 0.002 . 1 . . . . 79 . . . 6143 1 336 . 1 1 79 79 GLU HA H 1 4.215 0.002 . 1 . . . . 79 . . . 6143 1 337 . 1 1 79 79 GLU HB2 H 1 2.006 0.002 . 2 . . . . 79 . . . 6143 1 338 . 1 1 79 79 GLU HB3 H 1 2.145 0.002 . 2 . . . . 79 . . . 6143 1 339 . 1 1 79 79 GLU HG2 H 1 2.405 0.002 . 2 . . . . 79 . . . 6143 1 stop_ save_