data_6489 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6489 _Entry.Title ; Chemical shift assignments for subunit c of the F1Fo ATP Synthase from Bacillus PS3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-04 _Entry.Accession_date 2005-02-04 _Entry.Last_release_date 2006-04-24 _Entry.Original_release_date 2006-04-24 _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 Takayuki Nakano . . . 6489 2 Takahisa Ikegami . . . 6489 3 Toshiharu Suzuki . . . 6489 4 Masasuke Yoshida . . . 6489 5 Hideo Akutsu . . . 6489 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6489 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 508 6489 '13C chemical shifts' 306 6489 '15N chemical shifts' 67 6489 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 . . 2006-04-24 2005-02-04 original author . 6489 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6489 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16497328 _Citation.Full_citation . _Citation.Title ; A New Solution Structure of ATP Synthase Subunit c from Thermophilic Bacillus PS3, Suggesting a Local Conformational Change for H(+)-Translocation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _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 2006 _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 Takayuki Nakano . . . 6489 1 2 Takahisa Ikegami . . . 6489 1 3 Toshiharu Suzuki . . . 6489 1 4 Masasuke Yoshida . . . 6489 1 5 Hideo Akutsu . . . 6489 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ATP synthase' 6489 1 'membrane protein' 6489 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_F1Fo-ATP _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_F1Fo-ATP _Assembly.Entry_ID 6489 _Assembly.ID 1 _Assembly.Name 'F1Fo-ATP synthase subunit c' _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 reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6489 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 F1Fo-c 1 $F1Fo-c . . . native . . . . . 6489 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WU0 . . . . . . 6489 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'F1Fo-ATP synthase subunit c' system 6489 1 'F1Fo-ATP synthase' abbreviation 6489 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F1Fo-c _Entity.Sf_category entity _Entity.Sf_framecode F1Fo-c _Entity.Entry_ID 6489 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'F1Fo-ATP synthase subunit c' _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 ; MSLGVLAAAIAVGLGALGAG IGNGLIVSRTIEGIARQPEL RPVLQTTMFIGVALVEALPI IGVVFSFIYLGR ; _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 72 _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 . _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 11550 . thermophilic_Foc-subunit_ring . . . . . 100.00 72 98.61 98.61 6.63e-38 . . . . 6489 1 2 no PDB 1WU0 . "Solution Structure Of Subunit C Of F1fo-Atp Synthase From The Thermophilic Bacillus Ps3" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 3 no DBJ BAA07244 . "ATPase subunit c [ [[Bacillus] caldotenax]" . . . . . 100.00 72 98.61 98.61 1.97e-37 . . . . 6489 1 4 no DBJ BAA07251 . "ATPase subunit c [Geobacillus stearothermophilus]" . . . . . 100.00 72 98.61 98.61 7.39e-38 . . . . 6489 1 5 no DBJ BAD77648 . "F0F1-type ATP synthaseC chain [Geobacillus kaustophilus HTA426]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 6 no DBJ GAD12918 . "ATP synthase subunitc [Geobacillus kaustophilus GBlys]" . . . . . 81.94 59 98.31 100.00 2.97e-30 . . . . 6489 1 7 no DBJ GAJ57176 . "F0F1 ATP synthase subunit C [Geobacillus thermoleovorans B23]" . . . . . 81.94 59 98.31 100.00 2.97e-30 . . . . 6489 1 8 no EMBL CAA30649 . "unnamed protein product [Bacillus sp. PS3]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 9 no GB ACX79968 . "ATP synthase F0, C subunit [Geobacillus sp. Y412MC61]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 10 no GB ADI28261 . "ATP synthase F0, C subunit [Geobacillus sp. C56-T3]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 11 no GB ADU95796 . "ATP synthase F0, C subunit [Geobacillus sp. Y412MC52]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 12 no GB AEV21076 . "ATP synthase subunit c [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 81.94 59 98.31 100.00 2.97e-30 . . . . 6489 1 13 no GB AGE23948 . "ATP synthase component F0 subunit gamma [Geobacillus sp. GHH01]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 14 no PIR LWHWA3 . "H+-transporting two-sector ATPase (EC 3.6.3.14) lipid-binding protein - thermophilic bacterium PS-3" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 15 no REF WP_011232830 . "MULTISPECIES: F0F1 ATP synthase subunit C [Geobacillus]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 16 no REF WP_014196950 . "F0F1 ATP synthase subunit C [Geobacillus thermoleovorans]" . . . . . 81.94 59 98.31 100.00 2.97e-30 . . . . 6489 1 17 no REF YP_003254450 . "F0F1 ATP synthase subunit C [Geobacillus sp. Y412MC61]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 18 no REF YP_003672838 . "ATP synthase F0 C subunit [Geobacillus sp. C56-T3]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 19 no REF YP_004133939 . "ATP synthase F0 subunit C [Geobacillus sp. Y412MC52]" . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 20 no SP P00845 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 21 no SP P41015 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 72 98.61 98.61 1.97e-37 . . . . 6489 1 22 no SP P42011 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 72 98.61 98.61 7.39e-38 . . . . 6489 1 23 no SP Q5KUI8 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 72 100.00 100.00 1.63e-38 . . . . 6489 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'F1Fo-ATP synthase subunit c' common 6489 1 'F1Fo-ATP synthase' abbreviation 6489 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6489 1 2 . SER . 6489 1 3 . LEU . 6489 1 4 . GLY . 6489 1 5 . VAL . 6489 1 6 . LEU . 6489 1 7 . ALA . 6489 1 8 . ALA . 6489 1 9 . ALA . 6489 1 10 . ILE . 6489 1 11 . ALA . 6489 1 12 . VAL . 6489 1 13 . GLY . 6489 1 14 . LEU . 6489 1 15 . GLY . 6489 1 16 . ALA . 6489 1 17 . LEU . 6489 1 18 . GLY . 6489 1 19 . ALA . 6489 1 20 . GLY . 6489 1 21 . ILE . 6489 1 22 . GLY . 6489 1 23 . ASN . 6489 1 24 . GLY . 6489 1 25 . LEU . 6489 1 26 . ILE . 6489 1 27 . VAL . 6489 1 28 . SER . 6489 1 29 . ARG . 6489 1 30 . THR . 6489 1 31 . ILE . 6489 1 32 . GLU . 6489 1 33 . GLY . 6489 1 34 . ILE . 6489 1 35 . ALA . 6489 1 36 . ARG . 6489 1 37 . GLN . 6489 1 38 . PRO . 6489 1 39 . GLU . 6489 1 40 . LEU . 6489 1 41 . ARG . 6489 1 42 . PRO . 6489 1 43 . VAL . 6489 1 44 . LEU . 6489 1 45 . GLN . 6489 1 46 . THR . 6489 1 47 . THR . 6489 1 48 . MET . 6489 1 49 . PHE . 6489 1 50 . ILE . 6489 1 51 . GLY . 6489 1 52 . VAL . 6489 1 53 . ALA . 6489 1 54 . LEU . 6489 1 55 . VAL . 6489 1 56 . GLU . 6489 1 57 . ALA . 6489 1 58 . LEU . 6489 1 59 . PRO . 6489 1 60 . ILE . 6489 1 61 . ILE . 6489 1 62 . GLY . 6489 1 63 . VAL . 6489 1 64 . VAL . 6489 1 65 . PHE . 6489 1 66 . SER . 6489 1 67 . PHE . 6489 1 68 . ILE . 6489 1 69 . TYR . 6489 1 70 . LEU . 6489 1 71 . GLY . 6489 1 72 . ARG . 6489 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6489 1 . SER 2 2 6489 1 . LEU 3 3 6489 1 . GLY 4 4 6489 1 . VAL 5 5 6489 1 . LEU 6 6 6489 1 . ALA 7 7 6489 1 . ALA 8 8 6489 1 . ALA 9 9 6489 1 . ILE 10 10 6489 1 . ALA 11 11 6489 1 . VAL 12 12 6489 1 . GLY 13 13 6489 1 . LEU 14 14 6489 1 . GLY 15 15 6489 1 . ALA 16 16 6489 1 . LEU 17 17 6489 1 . GLY 18 18 6489 1 . ALA 19 19 6489 1 . GLY 20 20 6489 1 . ILE 21 21 6489 1 . GLY 22 22 6489 1 . ASN 23 23 6489 1 . GLY 24 24 6489 1 . LEU 25 25 6489 1 . ILE 26 26 6489 1 . VAL 27 27 6489 1 . SER 28 28 6489 1 . ARG 29 29 6489 1 . THR 30 30 6489 1 . ILE 31 31 6489 1 . GLU 32 32 6489 1 . GLY 33 33 6489 1 . ILE 34 34 6489 1 . ALA 35 35 6489 1 . ARG 36 36 6489 1 . GLN 37 37 6489 1 . PRO 38 38 6489 1 . GLU 39 39 6489 1 . LEU 40 40 6489 1 . ARG 41 41 6489 1 . PRO 42 42 6489 1 . VAL 43 43 6489 1 . LEU 44 44 6489 1 . GLN 45 45 6489 1 . THR 46 46 6489 1 . THR 47 47 6489 1 . MET 48 48 6489 1 . PHE 49 49 6489 1 . ILE 50 50 6489 1 . GLY 51 51 6489 1 . VAL 52 52 6489 1 . ALA 53 53 6489 1 . LEU 54 54 6489 1 . VAL 55 55 6489 1 . GLU 56 56 6489 1 . ALA 57 57 6489 1 . LEU 58 58 6489 1 . PRO 59 59 6489 1 . ILE 60 60 6489 1 . ILE 61 61 6489 1 . GLY 62 62 6489 1 . VAL 63 63 6489 1 . VAL 64 64 6489 1 . PHE 65 65 6489 1 . SER 66 66 6489 1 . PHE 67 67 6489 1 . ILE 68 68 6489 1 . TYR 69 69 6489 1 . LEU 70 70 6489 1 . GLY 71 71 6489 1 . ARG 72 72 6489 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 6489 _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 $F1Fo-c . 2334 organism . 'Bacillus Bacillus sp. PS3' 'Thermophilic Bacillus PS3' . . Bacteria . Bacillus 'Bacillus sp. PS3' . . . . . . . . . . . . . . . . . . . . . 6489 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 6489 _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 $F1Fo-c . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . Plasmid . . . . . . . . . 6489 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6489 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F1Fo-ATP synthase subunit c' . . . 1 $F1Fo-c . . 2 . . mM . . . . 6489 1 2 CDCl3 [U-2D] . . . . . . 75 . . % . . . . 6489 1 3 CD3OH [U-2D] . . . . . . 25 . . % . . . . 6489 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6489 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F1Fo-ATP synthase subunit c' [U-15N] . . 1 $F1Fo-c . . 2 . . mM . . . . 6489 2 2 CDCl3 [U-2D] . . . . . . 75 . . % . . . . 6489 2 3 CD3OH [U-2D] . . . . . . 25 . . % . . . . 6489 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6489 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'F1Fo-ATP synthase subunit c' '[U-13C; U-15N]' . . 1 $F1Fo-c . . 2 . . mM . . . . 6489 3 2 CDCl3 [U-2D] . . . . . . 75 . . % . . . . 6489 3 3 CD3OH [U-2D] . . . . . . 25 . . % . . . . 6489 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6489 _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 2 0.1 pH 6489 1 temperature 298 0.01 K 6489 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6489 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6489 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6489 _Software.ID 2 _Software.Name Sparky _Software.Version 3.106 _Software.Details 'Goddard, T.D.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6489 2 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 6489 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6489 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6489 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 6489 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 6489 1 2 spectrometer_2 Bruker DRX . 600 . . . 6489 1 3 spectrometer_3 Bruker DRX . 500 . . . 6489 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 6489 _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 15N-1N-HSQC . . . . . . . . . . . 2 $sample_2 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 2 2D_NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 3 CBCA(CO)NH . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 4 CBCANH . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 5 HNCO . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 6 HN(CA)CO . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 7 HBHANH . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 8 HBHA(CO)NH . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 9 H(CCO)NH . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 10 C(CO)NH . . . . . . . . . . . 3 $sample_3 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6489 1 stop_ save_ save_15N-1N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-1N-HSQC _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-1N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 2D_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHANH _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CO)NH _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_H(CCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH _NMR_spec_expt.Entry_ID 6489 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 6489 _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 TMS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . internal . 1 $citation_1 . . 1 $citation_1 6489 1 C 13 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6489 1 N 15 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6489 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_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode list_1 _Assigned_chem_shift_list.Entry_ID 6489 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 . . 2 $sample_2 . 6489 1 . . 1 $sample_1 . 6489 1 . . 3 $sample_3 . 6489 1 1 15N-1N-HSQC . . . 6489 1 2 2D_NOESY . . . 6489 1 3 CBCA(CO)NH . . . 6489 1 4 CBCANH . . . 6489 1 5 HNCO . . . 6489 1 6 HN(CA)CO . . . 6489 1 7 HBHANH . . . 6489 1 8 HBHA(CO)NH . . . 6489 1 9 H(CCO)NH . . . 6489 1 10 C(CO)NH . . . 6489 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU H H 1 9.32 0.02 . 1 . . . . . . . . 6489 1 2 . 1 1 3 3 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 6489 1 3 . 1 1 3 3 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6489 1 4 . 1 1 3 3 LEU HB3 H 1 1.27 0.02 . 2 . . . . . . . . 6489 1 5 . 1 1 3 3 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 6489 1 6 . 1 1 3 3 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 6489 1 7 . 1 1 3 3 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 6489 1 8 . 1 1 3 3 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 6489 1 9 . 1 1 3 3 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 6489 1 10 . 1 1 3 3 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 6489 1 11 . 1 1 3 3 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 6489 1 12 . 1 1 3 3 LEU C C 13 177.87 0.05 . 1 . . . . . . . . 6489 1 13 . 1 1 3 3 LEU CA C 13 57.75 0.05 . 1 . . . . . . . . 6489 1 14 . 1 1 3 3 LEU CB C 13 42.05 0.05 . 1 . . . . . . . . 6489 1 15 . 1 1 3 3 LEU CG C 13 27.29 0.05 . 1 . . . . . . . . 6489 1 16 . 1 1 3 3 LEU CD1 C 13 25.04 0.05 . 2 . . . . . . . . 6489 1 17 . 1 1 3 3 LEU CD2 C 13 23.93 0.05 . 2 . . . . . . . . 6489 1 18 . 1 1 3 3 LEU N N 15 123.54 0.05 . 1 . . . . . . . . 6489 1 19 . 1 1 4 4 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 6489 1 20 . 1 1 4 4 GLY HA2 H 1 3.82 0.02 . 1 . . . . . . . . 6489 1 21 . 1 1 4 4 GLY HA3 H 1 3.82 0.02 . 1 . . . . . . . . 6489 1 22 . 1 1 4 4 GLY C C 13 175.04 0.05 . 1 . . . . . . . . 6489 1 23 . 1 1 4 4 GLY CA C 13 47.30 0.05 . 1 . . . . . . . . 6489 1 24 . 1 1 4 4 GLY N N 15 105.24 0.05 . 1 . . . . . . . . 6489 1 25 . 1 1 5 5 VAL H H 1 7.28 0.02 . 1 . . . . . . . . 6489 1 26 . 1 1 5 5 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . 6489 1 27 . 1 1 5 5 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 6489 1 28 . 1 1 5 5 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 6489 1 29 . 1 1 5 5 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 6489 1 30 . 1 1 5 5 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 6489 1 31 . 1 1 5 5 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 6489 1 32 . 1 1 5 5 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 6489 1 33 . 1 1 5 5 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 6489 1 34 . 1 1 5 5 VAL C C 13 176.91 0.05 . 1 . . . . . . . . 6489 1 35 . 1 1 5 5 VAL CA C 13 66.19 0.05 . 1 . . . . . . . . 6489 1 36 . 1 1 5 5 VAL CB C 13 31.90 0.05 . 1 . . . . . . . . 6489 1 37 . 1 1 5 5 VAL CG1 C 13 22.61 0.05 . 2 . . . . . . . . 6489 1 38 . 1 1 5 5 VAL CG2 C 13 21.54 0.05 . 2 . . . . . . . . 6489 1 39 . 1 1 5 5 VAL N N 15 119.48 0.05 . 1 . . . . . . . . 6489 1 40 . 1 1 6 6 LEU H H 1 7.34 0.02 . 1 . . . . . . . . 6489 1 41 . 1 1 6 6 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 6489 1 42 . 1 1 6 6 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6489 1 43 . 1 1 6 6 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 6489 1 44 . 1 1 6 6 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 45 . 1 1 6 6 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 6489 1 46 . 1 1 6 6 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 6489 1 47 . 1 1 6 6 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 6489 1 48 . 1 1 6 6 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 6489 1 49 . 1 1 6 6 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 6489 1 50 . 1 1 6 6 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 6489 1 51 . 1 1 6 6 LEU C C 13 177.80 0.05 . 1 . . . . . . . . 6489 1 52 . 1 1 6 6 LEU CA C 13 58.02 0.05 . 1 . . . . . . . . 6489 1 53 . 1 1 6 6 LEU CB C 13 41.73 0.05 . 1 . . . . . . . . 6489 1 54 . 1 1 6 6 LEU CG C 13 27.28 0.05 . 1 . . . . . . . . 6489 1 55 . 1 1 6 6 LEU CD1 C 13 24.71 0.05 . 2 . . . . . . . . 6489 1 56 . 1 1 6 6 LEU CD2 C 13 24.34 0.05 . 2 . . . . . . . . 6489 1 57 . 1 1 6 6 LEU N N 15 119.26 0.05 . 1 . . . . . . . . 6489 1 58 . 1 1 7 7 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 6489 1 59 . 1 1 7 7 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 6489 1 60 . 1 1 7 7 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 6489 1 61 . 1 1 7 7 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 6489 1 62 . 1 1 7 7 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 6489 1 63 . 1 1 7 7 ALA C C 13 179.40 0.05 . 1 . . . . . . . . 6489 1 64 . 1 1 7 7 ALA CA C 13 55.45 0.05 . 1 . . . . . . . . 6489 1 65 . 1 1 7 7 ALA CB C 13 18.46 0.05 . 1 . . . . . . . . 6489 1 66 . 1 1 7 7 ALA N N 15 118.97 0.05 . 1 . . . . . . . . 6489 1 67 . 1 1 8 8 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 6489 1 68 . 1 1 8 8 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 6489 1 69 . 1 1 8 8 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 70 . 1 1 8 8 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 71 . 1 1 8 8 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 72 . 1 1 8 8 ALA C C 13 178.33 0.05 . 1 . . . . . . . . 6489 1 73 . 1 1 8 8 ALA CA C 13 55.25 0.05 . 1 . . . . . . . . 6489 1 74 . 1 1 8 8 ALA CB C 13 18.40 0.05 . 1 . . . . . . . . 6489 1 75 . 1 1 8 8 ALA N N 15 119.26 0.05 . 1 . . . . . . . . 6489 1 76 . 1 1 9 9 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 6489 1 77 . 1 1 9 9 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 6489 1 78 . 1 1 9 9 ALA HB1 H 1 1.61 0.02 . 1 . . . . . . . . 6489 1 79 . 1 1 9 9 ALA HB2 H 1 1.61 0.02 . 1 . . . . . . . . 6489 1 80 . 1 1 9 9 ALA HB3 H 1 1.61 0.02 . 1 . . . . . . . . 6489 1 81 . 1 1 9 9 ALA C C 13 180.55 0.05 . 1 . . . . . . . . 6489 1 82 . 1 1 9 9 ALA CA C 13 55.54 0.05 . 1 . . . . . . . . 6489 1 83 . 1 1 9 9 ALA CB C 13 18.37 0.05 . 1 . . . . . . . . 6489 1 84 . 1 1 9 9 ALA N N 15 119.82 0.05 . 1 . . . . . . . . 6489 1 85 . 1 1 10 10 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 6489 1 86 . 1 1 10 10 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 6489 1 87 . 1 1 10 10 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 6489 1 88 . 1 1 10 10 ILE HG12 H 1 1.88 0.02 . 2 . . . . . . . . 6489 1 89 . 1 1 10 10 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 6489 1 90 . 1 1 10 10 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 91 . 1 1 10 10 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 92 . 1 1 10 10 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 93 . 1 1 10 10 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 6489 1 94 . 1 1 10 10 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 6489 1 95 . 1 1 10 10 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 6489 1 96 . 1 1 10 10 ILE C C 13 177.42 0.05 . 1 . . . . . . . . 6489 1 97 . 1 1 10 10 ILE CA C 13 65.10 0.05 . 1 . . . . . . . . 6489 1 98 . 1 1 10 10 ILE CB C 13 37.89 0.05 . 1 . . . . . . . . 6489 1 99 . 1 1 10 10 ILE CG1 C 13 29.50 0.05 . 1 . . . . . . . . 6489 1 100 . 1 1 10 10 ILE CG2 C 13 17.61 0.05 . 1 . . . . . . . . 6489 1 101 . 1 1 10 10 ILE CD1 C 13 13.58 0.05 . 1 . . . . . . . . 6489 1 102 . 1 1 10 10 ILE N N 15 118.69 0.05 . 1 . . . . . . . . 6489 1 103 . 1 1 11 11 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 6489 1 104 . 1 1 11 11 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 6489 1 105 . 1 1 11 11 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 6489 1 106 . 1 1 11 11 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 6489 1 107 . 1 1 11 11 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 6489 1 108 . 1 1 11 11 ALA C C 13 180.39 0.05 . 1 . . . . . . . . 6489 1 109 . 1 1 11 11 ALA CA C 13 56.05 0.05 . 1 . . . . . . . . 6489 1 110 . 1 1 11 11 ALA CB C 13 18.50 0.05 . 1 . . . . . . . . 6489 1 111 . 1 1 11 11 ALA N N 15 121.91 0.05 . 1 . . . . . . . . 6489 1 112 . 1 1 12 12 VAL H H 1 8.53 0.02 . 1 . . . . . . . . 6489 1 113 . 1 1 12 12 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . 6489 1 114 . 1 1 12 12 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 6489 1 115 . 1 1 12 12 VAL HG11 H 1 0.99 0.02 . 1 . . . . . . . . 6489 1 116 . 1 1 12 12 VAL HG12 H 1 0.99 0.02 . 1 . . . . . . . . 6489 1 117 . 1 1 12 12 VAL HG13 H 1 0.99 0.02 . 1 . . . . . . . . 6489 1 118 . 1 1 12 12 VAL HG21 H 1 1.13 0.02 . 1 . . . . . . . . 6489 1 119 . 1 1 12 12 VAL HG22 H 1 1.13 0.02 . 1 . . . . . . . . 6489 1 120 . 1 1 12 12 VAL HG23 H 1 1.13 0.02 . 1 . . . . . . . . 6489 1 121 . 1 1 12 12 VAL C C 13 178.30 0.05 . 1 . . . . . . . . 6489 1 122 . 1 1 12 12 VAL CA C 13 66.68 0.05 . 1 . . . . . . . . 6489 1 123 . 1 1 12 12 VAL CB C 13 31.71 0.05 . 1 . . . . . . . . 6489 1 124 . 1 1 12 12 VAL CG1 C 13 21.72 0.05 . 1 . . . . . . . . 6489 1 125 . 1 1 12 12 VAL CG2 C 13 23.32 0.05 . 1 . . . . . . . . 6489 1 126 . 1 1 12 12 VAL N N 15 117.74 0.05 . 1 . . . . . . . . 6489 1 127 . 1 1 13 13 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 6489 1 128 . 1 1 13 13 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 6489 1 129 . 1 1 13 13 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 6489 1 130 . 1 1 13 13 GLY C C 13 175.74 0.05 . 1 . . . . . . . . 6489 1 131 . 1 1 13 13 GLY CA C 13 48.04 0.05 . 1 . . . . . . . . 6489 1 132 . 1 1 13 13 GLY N N 15 107.83 0.05 . 1 . . . . . . . . 6489 1 133 . 1 1 14 14 LEU H H 1 8.84 0.02 . 1 . . . . . . . . 6489 1 134 . 1 1 14 14 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 6489 1 135 . 1 1 14 14 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 6489 1 136 . 1 1 14 14 LEU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6489 1 137 . 1 1 14 14 LEU HG H 1 1.96 0.02 . 1 . . . . . . . . 6489 1 138 . 1 1 14 14 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 6489 1 139 . 1 1 14 14 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 6489 1 140 . 1 1 14 14 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 6489 1 141 . 1 1 14 14 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 6489 1 142 . 1 1 14 14 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 6489 1 143 . 1 1 14 14 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 6489 1 144 . 1 1 14 14 LEU C C 13 180.13 0.05 . 1 . . . . . . . . 6489 1 145 . 1 1 14 14 LEU CA C 13 58.01 0.05 . 1 . . . . . . . . 6489 1 146 . 1 1 14 14 LEU CB C 13 41.83 0.05 . 1 . . . . . . . . 6489 1 147 . 1 1 14 14 LEU CG C 13 27.03 0.05 . 1 . . . . . . . . 6489 1 148 . 1 1 14 14 LEU CD1 C 13 26.22 0.05 . 1 . . . . . . . . 6489 1 149 . 1 1 14 14 LEU CD2 C 13 23.10 0.05 . 1 . . . . . . . . 6489 1 150 . 1 1 14 14 LEU N N 15 121.48 0.05 . 1 . . . . . . . . 6489 1 151 . 1 1 15 15 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 6489 1 152 . 1 1 15 15 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . 6489 1 153 . 1 1 15 15 GLY C C 13 175.48 0.05 . 1 . . . . . . . . 6489 1 154 . 1 1 15 15 GLY CA C 13 47.65 0.05 . 1 . . . . . . . . 6489 1 155 . 1 1 15 15 GLY N N 15 107.83 0.05 . 1 . . . . . . . . 6489 1 156 . 1 1 16 16 ALA H H 1 8.65 0.02 . 1 . . . . . . . . 6489 1 157 . 1 1 16 16 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 6489 1 158 . 1 1 16 16 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . 6489 1 159 . 1 1 16 16 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . 6489 1 160 . 1 1 16 16 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . 6489 1 161 . 1 1 16 16 ALA C C 13 180.13 0.05 . 1 . . . . . . . . 6489 1 162 . 1 1 16 16 ALA CA C 13 55.38 0.05 . 1 . . . . . . . . 6489 1 163 . 1 1 16 16 ALA CB C 13 18.46 0.05 . 1 . . . . . . . . 6489 1 164 . 1 1 16 16 ALA N N 15 124.94 0.05 . 1 . . . . . . . . 6489 1 165 . 1 1 17 17 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 6489 1 166 . 1 1 17 17 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 6489 1 167 . 1 1 17 17 LEU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 6489 1 168 . 1 1 17 17 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 6489 1 169 . 1 1 17 17 LEU HG H 1 2.00 0.02 . 1 . . . . . . . . 6489 1 170 . 1 1 17 17 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 6489 1 171 . 1 1 17 17 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 6489 1 172 . 1 1 17 17 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 6489 1 173 . 1 1 17 17 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 6489 1 174 . 1 1 17 17 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 6489 1 175 . 1 1 17 17 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 6489 1 176 . 1 1 17 17 LEU C C 13 179.13 0.05 . 1 . . . . . . . . 6489 1 177 . 1 1 17 17 LEU CA C 13 55.21 0.05 . 1 . . . . . . . . 6489 1 178 . 1 1 17 17 LEU CB C 13 42.03 0.05 . 1 . . . . . . . . 6489 1 179 . 1 1 17 17 LEU CG C 13 27.29 0.05 . 1 . . . . . . . . 6489 1 180 . 1 1 17 17 LEU CD1 C 13 24.82 0.05 . 2 . . . . . . . . 6489 1 181 . 1 1 17 17 LEU N N 15 120.08 0.05 . 1 . . . . . . . . 6489 1 182 . 1 1 18 18 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 6489 1 183 . 1 1 18 18 GLY HA2 H 1 3.80 0.02 . 2 . . . . . . . . 6489 1 184 . 1 1 18 18 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 6489 1 185 . 1 1 18 18 GLY C C 13 175.91 0.05 . 1 . . . . . . . . 6489 1 186 . 1 1 18 18 GLY CA C 13 47.87 0.05 . 1 . . . . . . . . 6489 1 187 . 1 1 18 18 GLY N N 15 105.63 0.05 . 1 . . . . . . . . 6489 1 188 . 1 1 19 19 ALA H H 1 8.50 0.02 . 1 . . . . . . . . 6489 1 189 . 1 1 19 19 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 6489 1 190 . 1 1 19 19 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 6489 1 191 . 1 1 19 19 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 6489 1 192 . 1 1 19 19 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 6489 1 193 . 1 1 19 19 ALA C C 13 180.05 0.05 . 1 . . . . . . . . 6489 1 194 . 1 1 19 19 ALA CA C 13 55.00 0.05 . 1 . . . . . . . . 6489 1 195 . 1 1 19 19 ALA CB C 13 18.22 0.05 . 1 . . . . . . . . 6489 1 196 . 1 1 19 19 ALA N N 15 123.73 0.05 . 1 . . . . . . . . 6489 1 197 . 1 1 20 20 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 6489 1 198 . 1 1 20 20 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 6489 1 199 . 1 1 20 20 GLY C C 13 176.25 0.05 . 1 . . . . . . . . 6489 1 200 . 1 1 20 20 GLY CA C 13 47.71 0.05 . 1 . . . . . . . . 6489 1 201 . 1 1 20 20 GLY N N 15 107.11 0.05 . 1 . . . . . . . . 6489 1 202 . 1 1 21 21 ILE H H 1 8.59 0.02 . 1 . . . . . . . . 6489 1 203 . 1 1 21 21 ILE HA H 1 3.81 0.02 . 1 . . . . . . . . 6489 1 204 . 1 1 21 21 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 6489 1 205 . 1 1 21 21 ILE HG12 H 1 1.13 0.02 . 2 . . . . . . . . 6489 1 206 . 1 1 21 21 ILE HG13 H 1 1.84 0.02 . 2 . . . . . . . . 6489 1 207 . 1 1 21 21 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 208 . 1 1 21 21 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 209 . 1 1 21 21 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 210 . 1 1 21 21 ILE HD11 H 1 0.89 0.02 . 1 . . . . . . . . 6489 1 211 . 1 1 21 21 ILE HD12 H 1 0.89 0.02 . 1 . . . . . . . . 6489 1 212 . 1 1 21 21 ILE HD13 H 1 0.89 0.02 . 1 . . . . . . . . 6489 1 213 . 1 1 21 21 ILE C C 13 178.32 0.05 . 1 . . . . . . . . 6489 1 214 . 1 1 21 21 ILE CA C 13 65.08 0.05 . 1 . . . . . . . . 6489 1 215 . 1 1 21 21 ILE CB C 13 37.95 0.05 . 1 . . . . . . . . 6489 1 216 . 1 1 21 21 ILE CG1 C 13 29.24 0.05 . 1 . . . . . . . . 6489 1 217 . 1 1 21 21 ILE CG2 C 13 17.36 0.05 . 1 . . . . . . . . 6489 1 218 . 1 1 21 21 ILE CD1 C 13 13.34 0.05 . 1 . . . . . . . . 6489 1 219 . 1 1 21 21 ILE N N 15 123.22 0.05 . 1 . . . . . . . . 6489 1 220 . 1 1 22 22 GLY H H 1 8.63 0.02 . 1 . . . . . . . . 6489 1 221 . 1 1 22 22 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 6489 1 222 . 1 1 22 22 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 6489 1 223 . 1 1 22 22 GLY C C 13 175.27 0.05 . 1 . . . . . . . . 6489 1 224 . 1 1 22 22 GLY CA C 13 48.08 0.05 . 1 . . . . . . . . 6489 1 225 . 1 1 22 22 GLY N N 15 106.71 0.05 . 1 . . . . . . . . 6489 1 226 . 1 1 23 23 ASN H H 1 8.47 0.02 . 1 . . . . . . . . 6489 1 227 . 1 1 23 23 ASN HA H 1 4.52 0.02 . 1 . . . . . . . . 6489 1 228 . 1 1 23 23 ASN HB2 H 1 2.96 0.02 . 2 . . . . . . . . 6489 1 229 . 1 1 23 23 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 6489 1 230 . 1 1 23 23 ASN HD21 H 1 6.25 0.02 . 2 . . . . . . . . 6489 1 231 . 1 1 23 23 ASN HD22 H 1 7.37 0.02 . 2 . . . . . . . . 6489 1 232 . 1 1 23 23 ASN C C 13 177.46 0.05 . 1 . . . . . . . . 6489 1 233 . 1 1 23 23 ASN CA C 13 56.86 0.05 . 1 . . . . . . . . 6489 1 234 . 1 1 23 23 ASN CB C 13 39.14 0.05 . 1 . . . . . . . . 6489 1 235 . 1 1 23 23 ASN N N 15 118.68 0.05 . 1 . . . . . . . . 6489 1 236 . 1 1 24 24 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 6489 1 237 . 1 1 24 24 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 6489 1 238 . 1 1 24 24 GLY C C 13 176.65 0.05 . 1 . . . . . . . . 6489 1 239 . 1 1 24 24 GLY CA C 13 47.73 0.05 . 1 . . . . . . . . 6489 1 240 . 1 1 24 24 GLY N N 15 106.99 0.05 . 1 . . . . . . . . 6489 1 241 . 1 1 25 25 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 6489 1 242 . 1 1 25 25 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 6489 1 243 . 1 1 25 25 LEU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6489 1 244 . 1 1 25 25 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 6489 1 245 . 1 1 25 25 LEU HG H 1 1.89 0.02 . 1 . . . . . . . . 6489 1 246 . 1 1 25 25 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 6489 1 247 . 1 1 25 25 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 6489 1 248 . 1 1 25 25 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 6489 1 249 . 1 1 25 25 LEU HD21 H 1 0.91 0.02 . 1 . . . . . . . . 6489 1 250 . 1 1 25 25 LEU HD22 H 1 0.91 0.02 . 1 . . . . . . . . 6489 1 251 . 1 1 25 25 LEU HD23 H 1 0.91 0.02 . 1 . . . . . . . . 6489 1 252 . 1 1 25 25 LEU C C 13 178.61 0.05 . 1 . . . . . . . . 6489 1 253 . 1 1 25 25 LEU CA C 13 58.55 0.05 . 1 . . . . . . . . 6489 1 254 . 1 1 25 25 LEU CB C 13 41.80 0.05 . 1 . . . . . . . . 6489 1 255 . 1 1 25 25 LEU CG C 13 26.80 0.05 . 1 . . . . . . . . 6489 1 256 . 1 1 25 25 LEU CD1 C 13 25.72 0.05 . 1 . . . . . . . . 6489 1 257 . 1 1 25 25 LEU CD2 C 13 23.42 0.05 . 1 . . . . . . . . 6489 1 258 . 1 1 25 25 LEU N N 15 124.69 0.05 . 1 . . . . . . . . 6489 1 259 . 1 1 26 26 ILE H H 1 8.00 0.02 . 1 . . . . . . . . 6489 1 260 . 1 1 26 26 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 6489 1 261 . 1 1 26 26 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 6489 1 262 . 1 1 26 26 ILE HG12 H 1 1.15 0.02 . 2 . . . . . . . . 6489 1 263 . 1 1 26 26 ILE HG13 H 1 1.84 0.02 . 2 . . . . . . . . 6489 1 264 . 1 1 26 26 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 265 . 1 1 26 26 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 266 . 1 1 26 26 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 267 . 1 1 26 26 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 268 . 1 1 26 26 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 269 . 1 1 26 26 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 270 . 1 1 26 26 ILE C C 13 179.80 0.05 . 1 . . . . . . . . 6489 1 271 . 1 1 26 26 ILE CA C 13 65.48 0.05 . 1 . . . . . . . . 6489 1 272 . 1 1 26 26 ILE CB C 13 37.83 0.05 . 1 . . . . . . . . 6489 1 273 . 1 1 26 26 ILE CG1 C 13 29.21 0.05 . 1 . . . . . . . . 6489 1 274 . 1 1 26 26 ILE CG2 C 13 17.48 0.05 . 1 . . . . . . . . 6489 1 275 . 1 1 26 26 ILE CD1 C 13 13.22 0.05 . 1 . . . . . . . . 6489 1 276 . 1 1 26 26 ILE N N 15 119.57 0.05 . 1 . . . . . . . . 6489 1 277 . 1 1 27 27 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 6489 1 278 . 1 1 27 27 VAL HA H 1 3.58 0.02 . 1 . . . . . . . . 6489 1 279 . 1 1 27 27 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 6489 1 280 . 1 1 27 27 VAL HG11 H 1 1.00 0.02 . 1 . . . . . . . . 6489 1 281 . 1 1 27 27 VAL HG12 H 1 1.00 0.02 . 1 . . . . . . . . 6489 1 282 . 1 1 27 27 VAL HG13 H 1 1.00 0.02 . 1 . . . . . . . . 6489 1 283 . 1 1 27 27 VAL HG21 H 1 1.13 0.02 . 1 . . . . . . . . 6489 1 284 . 1 1 27 27 VAL HG22 H 1 1.13 0.02 . 1 . . . . . . . . 6489 1 285 . 1 1 27 27 VAL HG23 H 1 1.13 0.02 . 1 . . . . . . . . 6489 1 286 . 1 1 27 27 VAL C C 13 177.93 0.05 . 1 . . . . . . . . 6489 1 287 . 1 1 27 27 VAL CA C 13 67.73 0.05 . 1 . . . . . . . . 6489 1 288 . 1 1 27 27 VAL CB C 13 31.88 0.05 . 1 . . . . . . . . 6489 1 289 . 1 1 27 27 VAL CG1 C 13 21.75 0.05 . 1 . . . . . . . . 6489 1 290 . 1 1 27 27 VAL CG2 C 13 23.27 0.05 . 1 . . . . . . . . 6489 1 291 . 1 1 27 27 VAL N N 15 122.55 0.05 . 1 . . . . . . . . 6489 1 292 . 1 1 28 28 SER H H 1 8.31 0.02 . 1 . . . . . . . . 6489 1 293 . 1 1 28 28 SER HA H 1 4.10 0.02 . 1 . . . . . . . . 6489 1 294 . 1 1 28 28 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 6489 1 295 . 1 1 28 28 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 6489 1 296 . 1 1 28 28 SER HG H 1 4.38 0.02 . 1 . . . . . . . . 6489 1 297 . 1 1 28 28 SER C C 13 175.95 0.05 . 1 . . . . . . . . 6489 1 298 . 1 1 28 28 SER CA C 13 62.31 0.05 . 1 . . . . . . . . 6489 1 299 . 1 1 28 28 SER CB C 13 63.09 0.05 . 1 . . . . . . . . 6489 1 300 . 1 1 28 28 SER N N 15 114.83 0.05 . 1 . . . . . . . . 6489 1 301 . 1 1 29 29 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 6489 1 302 . 1 1 29 29 ARG HA H 1 4.10 0.02 . 1 . . . . . . . . 6489 1 303 . 1 1 29 29 ARG HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6489 1 304 . 1 1 29 29 ARG HB3 H 1 1.80 0.02 . 2 . . . . . . . . 6489 1 305 . 1 1 29 29 ARG HG2 H 1 1.27 0.02 . 2 . . . . . . . . 6489 1 306 . 1 1 29 29 ARG HG3 H 1 1.25 0.02 . 2 . . . . . . . . 6489 1 307 . 1 1 29 29 ARG HD2 H 1 3.27 0.02 . 2 . . . . . . . . 6489 1 308 . 1 1 29 29 ARG HD3 H 1 3.14 0.02 . 2 . . . . . . . . 6489 1 309 . 1 1 29 29 ARG C C 13 178.64 0.05 . 1 . . . . . . . . 6489 1 310 . 1 1 29 29 ARG CA C 13 58.55 0.05 . 1 . . . . . . . . 6489 1 311 . 1 1 29 29 ARG CB C 13 29.64 0.05 . 1 . . . . . . . . 6489 1 312 . 1 1 29 29 ARG CG C 13 28.03 0.05 . 1 . . . . . . . . 6489 1 313 . 1 1 29 29 ARG CD C 13 42.82 0.05 . 1 . . . . . . . . 6489 1 314 . 1 1 29 29 ARG N N 15 120.75 0.05 . 1 . . . . . . . . 6489 1 315 . 1 1 30 30 THR H H 1 8.05 0.02 . 1 . . . . . . . . 6489 1 316 . 1 1 30 30 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 6489 1 317 . 1 1 30 30 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 6489 1 318 . 1 1 30 30 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 6489 1 319 . 1 1 30 30 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 6489 1 320 . 1 1 30 30 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 6489 1 321 . 1 1 30 30 THR C C 13 175.93 0.05 . 1 . . . . . . . . 6489 1 322 . 1 1 30 30 THR CA C 13 67.28 0.05 . 1 . . . . . . . . 6489 1 323 . 1 1 30 30 THR CB C 13 68.14 0.05 . 1 . . . . . . . . 6489 1 324 . 1 1 30 30 THR CG2 C 13 21.27 0.05 . 1 . . . . . . . . 6489 1 325 . 1 1 30 30 THR N N 15 117.59 0.05 . 1 . . . . . . . . 6489 1 326 . 1 1 31 31 ILE H H 1 8.27 0.02 . 1 . . . . . . . . 6489 1 327 . 1 1 31 31 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 6489 1 328 . 1 1 31 31 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 6489 1 329 . 1 1 31 31 ILE HG12 H 1 1.81 0.02 . 2 . . . . . . . . 6489 1 330 . 1 1 31 31 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 6489 1 331 . 1 1 31 31 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 332 . 1 1 31 31 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 333 . 1 1 31 31 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 334 . 1 1 31 31 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 6489 1 335 . 1 1 31 31 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 6489 1 336 . 1 1 31 31 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 6489 1 337 . 1 1 31 31 ILE C C 13 177.66 0.05 . 1 . . . . . . . . 6489 1 338 . 1 1 31 31 ILE CA C 13 65.52 0.05 . 1 . . . . . . . . 6489 1 339 . 1 1 31 31 ILE CB C 13 37.70 0.05 . 1 . . . . . . . . 6489 1 340 . 1 1 31 31 ILE CG1 C 13 28.88 0.05 . 1 . . . . . . . . 6489 1 341 . 1 1 31 31 ILE CG2 C 13 17.42 0.05 . 1 . . . . . . . . 6489 1 342 . 1 1 31 31 ILE CD1 C 13 13.41 0.05 . 1 . . . . . . . . 6489 1 343 . 1 1 31 31 ILE N N 15 121.15 0.05 . 1 . . . . . . . . 6489 1 344 . 1 1 32 32 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 6489 1 345 . 1 1 32 32 GLU HA H 1 3.91 0.02 . 1 . . . . . . . . 6489 1 346 . 1 1 32 32 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 6489 1 347 . 1 1 32 32 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 6489 1 348 . 1 1 32 32 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 6489 1 349 . 1 1 32 32 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 6489 1 350 . 1 1 32 32 GLU C C 13 177.87 0.05 . 1 . . . . . . . . 6489 1 351 . 1 1 32 32 GLU CA C 13 59.23 0.05 . 1 . . . . . . . . 6489 1 352 . 1 1 32 32 GLU CB C 13 27.58 0.05 . 1 . . . . . . . . 6489 1 353 . 1 1 32 32 GLU CG C 13 33.14 0.05 . 1 . . . . . . . . 6489 1 354 . 1 1 32 32 GLU N N 15 117.55 0.05 . 1 . . . . . . . . 6489 1 355 . 1 1 33 33 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 6489 1 356 . 1 1 33 33 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 6489 1 357 . 1 1 33 33 GLY C C 13 175.84 0.05 . 1 . . . . . . . . 6489 1 358 . 1 1 33 33 GLY CA C 13 47.36 0.05 . 1 . . . . . . . . 6489 1 359 . 1 1 33 33 GLY N N 15 105.01 0.05 . 1 . . . . . . . . 6489 1 360 . 1 1 34 34 ILE H H 1 7.82 0.02 . 1 . . . . . . . . 6489 1 361 . 1 1 34 34 ILE HA H 1 3.75 0.02 . 1 . . . . . . . . 6489 1 362 . 1 1 34 34 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 6489 1 363 . 1 1 34 34 ILE HG12 H 1 1.23 0.02 . 2 . . . . . . . . 6489 1 364 . 1 1 34 34 ILE HG13 H 1 1.13 0.02 . 2 . . . . . . . . 6489 1 365 . 1 1 34 34 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 366 . 1 1 34 34 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 367 . 1 1 34 34 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 368 . 1 1 34 34 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 369 . 1 1 34 34 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 370 . 1 1 34 34 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 371 . 1 1 34 34 ILE C C 13 177.98 0.05 . 1 . . . . . . . . 6489 1 372 . 1 1 34 34 ILE CA C 13 64.94 0.05 . 1 . . . . . . . . 6489 1 373 . 1 1 34 34 ILE CB C 13 38.12 0.05 . 1 . . . . . . . . 6489 1 374 . 1 1 34 34 ILE CG1 C 13 28.92 0.05 . 1 . . . . . . . . 6489 1 375 . 1 1 34 34 ILE CG2 C 13 17.72 0.05 . 1 . . . . . . . . 6489 1 376 . 1 1 34 34 ILE CD1 C 13 13.78 0.05 . 1 . . . . . . . . 6489 1 377 . 1 1 34 34 ILE N N 15 122.14 0.05 . 1 . . . . . . . . 6489 1 378 . 1 1 35 35 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 6489 1 379 . 1 1 35 35 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 6489 1 380 . 1 1 35 35 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 6489 1 381 . 1 1 35 35 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 6489 1 382 . 1 1 35 35 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 6489 1 383 . 1 1 35 35 ALA C C 13 178.12 0.05 . 1 . . . . . . . . 6489 1 384 . 1 1 35 35 ALA CA C 13 54.52 0.05 . 1 . . . . . . . . 6489 1 385 . 1 1 35 35 ALA CB C 13 18.84 0.05 . 1 . . . . . . . . 6489 1 386 . 1 1 35 35 ALA N N 15 119.63 0.05 . 1 . . . . . . . . 6489 1 387 . 1 1 36 36 ARG H H 1 7.53 0.02 . 1 . . . . . . . . 6489 1 388 . 1 1 36 36 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 6489 1 389 . 1 1 36 36 ARG HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6489 1 390 . 1 1 36 36 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 6489 1 391 . 1 1 36 36 ARG HG2 H 1 1.93 0.02 . 2 . . . . . . . . 6489 1 392 . 1 1 36 36 ARG HG3 H 1 1.74 0.02 . 2 . . . . . . . . 6489 1 393 . 1 1 36 36 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 6489 1 394 . 1 1 36 36 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 6489 1 395 . 1 1 36 36 ARG C C 13 176.33 0.05 . 1 . . . . . . . . 6489 1 396 . 1 1 36 36 ARG CA C 13 56.25 0.05 . 1 . . . . . . . . 6489 1 397 . 1 1 36 36 ARG CB C 13 30.75 0.05 . 1 . . . . . . . . 6489 1 398 . 1 1 36 36 ARG CG C 13 27.80 0.05 . 1 . . . . . . . . 6489 1 399 . 1 1 36 36 ARG CD C 13 43.60 0.05 . 1 . . . . . . . . 6489 1 400 . 1 1 36 36 ARG N N 15 112.12 0.05 . 1 . . . . . . . . 6489 1 401 . 1 1 37 37 GLN H H 1 7.80 0.02 . 1 . . . . . . . . 6489 1 402 . 1 1 37 37 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 6489 1 403 . 1 1 37 37 GLN HB2 H 1 2.21 0.02 . 1 . . . . . . . . 6489 1 404 . 1 1 37 37 GLN HB3 H 1 2.21 0.02 . 1 . . . . . . . . 6489 1 405 . 1 1 37 37 GLN HG2 H 1 2.47 0.02 . 2 . . . . . . . . 6489 1 406 . 1 1 37 37 GLN HG3 H 1 2.79 0.02 . 2 . . . . . . . . 6489 1 407 . 1 1 37 37 GLN HE21 H 1 6.39 0.02 . 2 . . . . . . . . 6489 1 408 . 1 1 37 37 GLN HE22 H 1 7.72 0.02 . 2 . . . . . . . . 6489 1 409 . 1 1 37 37 GLN C C 13 174.92 0.05 . 1 . . . . . . . . 6489 1 410 . 1 1 37 37 GLN CA C 13 56.17 0.05 . 1 . . . . . . . . 6489 1 411 . 1 1 37 37 GLN CB C 13 27.52 0.05 . 1 . . . . . . . . 6489 1 412 . 1 1 37 37 GLN CG C 13 33.85 0.05 . 1 . . . . . . . . 6489 1 413 . 1 1 37 37 GLN N N 15 118.02 0.05 . 1 . . . . . . . . 6489 1 414 . 1 1 38 38 PRO HA H 1 4.24 0.02 . 1 . . . . . . . . 6489 1 415 . 1 1 38 38 PRO HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6489 1 416 . 1 1 38 38 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 6489 1 417 . 1 1 38 38 PRO HG2 H 1 2.02 0.02 . 2 . . . . . . . . 6489 1 418 . 1 1 38 38 PRO HG3 H 1 1.92 0.02 . 2 . . . . . . . . 6489 1 419 . 1 1 38 38 PRO HD2 H 1 3.87 0.02 . 2 . . . . . . . . 6489 1 420 . 1 1 38 38 PRO HD3 H 1 3.72 0.02 . 2 . . . . . . . . 6489 1 421 . 1 1 38 38 PRO C C 13 176.94 0.05 . 1 . . . . . . . . 6489 1 422 . 1 1 38 38 PRO CA C 13 65.54 0.05 . 1 . . . . . . . . 6489 1 423 . 1 1 38 38 PRO CB C 13 31.80 0.05 . 1 . . . . . . . . 6489 1 424 . 1 1 38 38 PRO CG C 13 28.16 0.05 . 1 . . . . . . . . 6489 1 425 . 1 1 38 38 PRO CD C 13 50.49 0.05 . 1 . . . . . . . . 6489 1 426 . 1 1 39 39 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 6489 1 427 . 1 1 39 39 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6489 1 428 . 1 1 39 39 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 6489 1 429 . 1 1 39 39 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6489 1 430 . 1 1 39 39 GLU HG2 H 1 2.54 0.02 . 2 . . . . . . . . 6489 1 431 . 1 1 39 39 GLU HG3 H 1 2.69 0.02 . 2 . . . . . . . . 6489 1 432 . 1 1 39 39 GLU C C 13 175.49 0.05 . 1 . . . . . . . . 6489 1 433 . 1 1 39 39 GLU CA C 13 57.84 0.05 . 1 . . . . . . . . 6489 1 434 . 1 1 39 39 GLU CB C 13 27.25 0.05 . 1 . . . . . . . . 6489 1 435 . 1 1 39 39 GLU CG C 13 33.26 0.05 . 1 . . . . . . . . 6489 1 436 . 1 1 39 39 GLU N N 15 113.32 0.05 . 1 . . . . . . . . 6489 1 437 . 1 1 40 40 LEU H H 1 7.78 0.02 . 1 . . . . . . . . 6489 1 438 . 1 1 40 40 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 6489 1 439 . 1 1 40 40 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6489 1 440 . 1 1 40 40 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 6489 1 441 . 1 1 40 40 LEU HD11 H 1 0.97 0.02 . 2 . . . . . . . . 6489 1 442 . 1 1 40 40 LEU HD12 H 1 0.97 0.02 . 2 . . . . . . . . 6489 1 443 . 1 1 40 40 LEU HD13 H 1 0.97 0.02 . 2 . . . . . . . . 6489 1 444 . 1 1 40 40 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 6489 1 445 . 1 1 40 40 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 6489 1 446 . 1 1 40 40 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 6489 1 447 . 1 1 40 40 LEU C C 13 178.10 0.05 . 1 . . . . . . . . 6489 1 448 . 1 1 40 40 LEU CA C 13 55.57 0.05 . 1 . . . . . . . . 6489 1 449 . 1 1 40 40 LEU CB C 13 42.88 0.05 . 1 . . . . . . . . 6489 1 450 . 1 1 40 40 LEU CD1 C 13 25.24 0.05 . 2 . . . . . . . . 6489 1 451 . 1 1 40 40 LEU CD2 C 13 23.40 0.05 . 2 . . . . . . . . 6489 1 452 . 1 1 40 40 LEU N N 15 116.7 0.05 . 1 . . . . . . . . 6489 1 453 . 1 1 41 41 ARG H H 1 8.05 0.02 . 1 . . . . . . . . 6489 1 454 . 1 1 41 41 ARG HA H 1 4.37 0.02 . 1 . . . . . . . . 6489 1 455 . 1 1 41 41 ARG HB2 H 1 2.19 0.02 . 2 . . . . . . . . 6489 1 456 . 1 1 41 41 ARG HB3 H 1 1.98 0.02 . 2 . . . . . . . . 6489 1 457 . 1 1 41 41 ARG HG2 H 1 1.98 0.02 . 2 . . . . . . . . 6489 1 458 . 1 1 41 41 ARG HG3 H 1 1.63 0.02 . 2 . . . . . . . . 6489 1 459 . 1 1 41 41 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 6489 1 460 . 1 1 41 41 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 6489 1 461 . 1 1 41 41 ARG HE H 1 7.60 0.02 . 1 . . . . . . . . 6489 1 462 . 1 1 41 41 ARG HH11 H 1 6.84 0.02 . 1 . . . . . . . . 6489 1 463 . 1 1 41 41 ARG HH12 H 1 6.84 0.02 . 1 . . . . . . . . 6489 1 464 . 1 1 41 41 ARG HH21 H 1 7.25 0.02 . 1 . . . . . . . . 6489 1 465 . 1 1 41 41 ARG HH22 H 1 7.25 0.02 . 1 . . . . . . . . 6489 1 466 . 1 1 41 41 ARG C C 13 174.53 0.05 . 1 . . . . . . . . 6489 1 467 . 1 1 41 41 ARG CA C 13 56.23 0.05 . 1 . . . . . . . . 6489 1 468 . 1 1 41 41 ARG CB C 13 31.66 0.05 . 1 . . . . . . . . 6489 1 469 . 1 1 41 41 ARG CG C 13 28.15 0.05 . 1 . . . . . . . . 6489 1 470 . 1 1 41 41 ARG CD C 13 43.15 0.05 . 1 . . . . . . . . 6489 1 471 . 1 1 41 41 ARG N N 15 119.04 0.05 . 1 . . . . . . . . 6489 1 472 . 1 1 42 42 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 6489 1 473 . 1 1 42 42 PRO HB2 H 1 2.34 0.02 . 1 . . . . . . . . 6489 1 474 . 1 1 42 42 PRO HB3 H 1 2.34 0.02 . 1 . . . . . . . . 6489 1 475 . 1 1 42 42 PRO HG2 H 1 1.86 0.02 . 1 . . . . . . . . 6489 1 476 . 1 1 42 42 PRO HG3 H 1 1.86 0.02 . 1 . . . . . . . . 6489 1 477 . 1 1 42 42 PRO HD2 H 1 3.78 0.02 . 2 . . . . . . . . 6489 1 478 . 1 1 42 42 PRO HD3 H 1 3.62 0.02 . 2 . . . . . . . . 6489 1 479 . 1 1 42 42 PRO C C 13 179.14 0.05 . 1 . . . . . . . . 6489 1 480 . 1 1 42 42 PRO CA C 13 66.08 0.05 . 1 . . . . . . . . 6489 1 481 . 1 1 42 42 PRO CB C 13 31.29 0.05 . 1 . . . . . . . . 6489 1 482 . 1 1 42 42 PRO CG C 13 28.34 0.05 . 1 . . . . . . . . 6489 1 483 . 1 1 42 42 PRO CD C 13 50.19 0.05 . 1 . . . . . . . . 6489 1 484 . 1 1 43 43 VAL H H 1 7.35 0.02 . 1 . . . . . . . . 6489 1 485 . 1 1 43 43 VAL HA H 1 3.70 0.02 . 1 . . . . . . . . 6489 1 486 . 1 1 43 43 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 6489 1 487 . 1 1 43 43 VAL HG11 H 1 1.01 0.02 . 1 . . . . . . . . 6489 1 488 . 1 1 43 43 VAL HG12 H 1 1.01 0.02 . 1 . . . . . . . . 6489 1 489 . 1 1 43 43 VAL HG13 H 1 1.01 0.02 . 1 . . . . . . . . 6489 1 490 . 1 1 43 43 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 6489 1 491 . 1 1 43 43 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 6489 1 492 . 1 1 43 43 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 6489 1 493 . 1 1 43 43 VAL C C 13 178.68 0.05 . 1 . . . . . . . . 6489 1 494 . 1 1 43 43 VAL CA C 13 66.45 0.05 . 1 . . . . . . . . 6489 1 495 . 1 1 43 43 VAL CB C 13 31.88 0.05 . 1 . . . . . . . . 6489 1 496 . 1 1 43 43 VAL CG1 C 13 21.53 0.05 . 1 . . . . . . . . 6489 1 497 . 1 1 43 43 VAL CG2 C 13 22.43 0.05 . 1 . . . . . . . . 6489 1 498 . 1 1 43 43 VAL N N 15 118.48 0.05 . 1 . . . . . . . . 6489 1 499 . 1 1 44 44 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 6489 1 500 . 1 1 44 44 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 6489 1 501 . 1 1 44 44 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6489 1 502 . 1 1 44 44 LEU HB3 H 1 1.66 0.02 . 2 . . . . . . . . 6489 1 503 . 1 1 44 44 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 6489 1 504 . 1 1 44 44 LEU HD11 H 1 0.97 0.02 . 2 . . . . . . . . 6489 1 505 . 1 1 44 44 LEU HD12 H 1 0.97 0.02 . 2 . . . . . . . . 6489 1 506 . 1 1 44 44 LEU HD13 H 1 0.97 0.02 . 2 . . . . . . . . 6489 1 507 . 1 1 44 44 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 6489 1 508 . 1 1 44 44 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 6489 1 509 . 1 1 44 44 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 6489 1 510 . 1 1 44 44 LEU C C 13 178.57 0.05 . 1 . . . . . . . . 6489 1 511 . 1 1 44 44 LEU CA C 13 58.36 0.05 . 1 . . . . . . . . 6489 1 512 . 1 1 44 44 LEU CB C 13 41.77 0.05 . 1 . . . . . . . . 6489 1 513 . 1 1 44 44 LEU CG C 13 27.38 0.05 . 1 . . . . . . . . 6489 1 514 . 1 1 44 44 LEU CD1 C 13 25.16 0.05 . 2 . . . . . . . . 6489 1 515 . 1 1 44 44 LEU CD2 C 13 23.96 0.05 . 2 . . . . . . . . 6489 1 516 . 1 1 44 44 LEU N N 15 123.28 0.05 . 1 . . . . . . . . 6489 1 517 . 1 1 45 45 GLN H H 1 8.62 0.02 . 1 . . . . . . . . 6489 1 518 . 1 1 45 45 GLN HA H 1 3.93 0.02 . 1 . . . . . . . . 6489 1 519 . 1 1 45 45 GLN HB2 H 1 2.03 0.02 . 1 . . . . . . . . 6489 1 520 . 1 1 45 45 GLN HB3 H 1 2.03 0.02 . 1 . . . . . . . . 6489 1 521 . 1 1 45 45 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 6489 1 522 . 1 1 45 45 GLN HG3 H 1 2.26 0.02 . 2 . . . . . . . . 6489 1 523 . 1 1 45 45 GLN HE21 H 1 6.98 0.02 . 2 . . . . . . . . 6489 1 524 . 1 1 45 45 GLN HE22 H 1 6.37 0.02 . 2 . . . . . . . . 6489 1 525 . 1 1 45 45 GLN C C 13 177.86 0.05 . 1 . . . . . . . . 6489 1 526 . 1 1 45 45 GLN CA C 13 59.60 0.05 . 1 . . . . . . . . 6489 1 527 . 1 1 45 45 GLN CB C 13 28.87 0.05 . 1 . . . . . . . . 6489 1 528 . 1 1 45 45 GLN CG C 13 34.70 0.05 . 1 . . . . . . . . 6489 1 529 . 1 1 45 45 GLN N N 15 117.00 0.05 . 1 . . . . . . . . 6489 1 530 . 1 1 46 46 THR H H 1 7.90 0.02 . 1 . . . . . . . . 6489 1 531 . 1 1 46 46 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 6489 1 532 . 1 1 46 46 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 6489 1 533 . 1 1 46 46 THR HG21 H 1 1.35 0.02 . 1 . . . . . . . . 6489 1 534 . 1 1 46 46 THR HG22 H 1 1.35 0.02 . 1 . . . . . . . . 6489 1 535 . 1 1 46 46 THR HG23 H 1 1.35 0.02 . 1 . . . . . . . . 6489 1 536 . 1 1 46 46 THR C C 13 175.58 0.05 . 1 . . . . . . . . 6489 1 537 . 1 1 46 46 THR CA C 13 66.55 0.05 . 1 . . . . . . . . 6489 1 538 . 1 1 46 46 THR CB C 13 68.39 0.05 . 1 . . . . . . . . 6489 1 539 . 1 1 46 46 THR CG2 C 13 21.80 0.05 . 1 . . . . . . . . 6489 1 540 . 1 1 46 46 THR N N 15 114.51 0.05 . 1 . . . . . . . . 6489 1 541 . 1 1 47 47 THR H H 1 7.95 0.02 . 1 . . . . . . . . 6489 1 542 . 1 1 47 47 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 6489 1 543 . 1 1 47 47 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 6489 1 544 . 1 1 47 47 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 6489 1 545 . 1 1 47 47 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 6489 1 546 . 1 1 47 47 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 6489 1 547 . 1 1 47 47 THR C C 13 174.95 0.05 . 1 . . . . . . . . 6489 1 548 . 1 1 47 47 THR CA C 13 67.55 0.05 . 1 . . . . . . . . 6489 1 549 . 1 1 47 47 THR CB C 13 68.62 0.05 . 1 . . . . . . . . 6489 1 550 . 1 1 47 47 THR CG2 C 13 21.83 0.05 . 1 . . . . . . . . 6489 1 551 . 1 1 47 47 THR N N 15 116.39 0.05 . 1 . . . . . . . . 6489 1 552 . 1 1 48 48 MET H H 1 7.95 0.02 . 1 . . . . . . . . 6489 1 553 . 1 1 48 48 MET HA H 1 4.16 0.02 . 1 . . . . . . . . 6489 1 554 . 1 1 48 48 MET HB2 H 1 2.45 0.02 . 2 . . . . . . . . 6489 1 555 . 1 1 48 48 MET HB3 H 1 2.28 0.02 . 2 . . . . . . . . 6489 1 556 . 1 1 48 48 MET C C 13 177.17 0.05 . 1 . . . . . . . . 6489 1 557 . 1 1 48 48 MET CA C 13 59.11 0.05 . 1 . . . . . . . . 6489 1 558 . 1 1 48 48 MET CB C 13 32.67 0.05 . 1 . . . . . . . . 6489 1 559 . 1 1 48 48 MET N N 15 118.66 0.05 . 1 . . . . . . . . 6489 1 560 . 1 1 49 49 PHE H H 1 8.08 0.02 . 1 . . . . . . . . 6489 1 561 . 1 1 49 49 PHE HA H 1 4.27 0.02 . 1 . . . . . . . . 6489 1 562 . 1 1 49 49 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 6489 1 563 . 1 1 49 49 PHE HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6489 1 564 . 1 1 49 49 PHE HD1 H 1 7.25 0.02 . 1 . . . . . . . . 6489 1 565 . 1 1 49 49 PHE HD2 H 1 7.25 0.02 . 1 . . . . . . . . 6489 1 566 . 1 1 49 49 PHE HE1 H 1 7.29 0.02 . 1 . . . . . . . . 6489 1 567 . 1 1 49 49 PHE HE2 H 1 7.29 0.02 . 1 . . . . . . . . 6489 1 568 . 1 1 49 49 PHE C C 13 177.04 0.05 . 1 . . . . . . . . 6489 1 569 . 1 1 49 49 PHE CA C 13 61.48 0.05 . 1 . . . . . . . . 6489 1 570 . 1 1 49 49 PHE CB C 13 39.08 0.05 . 1 . . . . . . . . 6489 1 571 . 1 1 49 49 PHE CD1 C 13 131.00 0.05 . 1 . . . . . . . . 6489 1 572 . 1 1 49 49 PHE CD2 C 13 131.00 0.05 . 1 . . . . . . . . 6489 1 573 . 1 1 49 49 PHE CE1 C 13 130.94 0.05 . 1 . . . . . . . . 6489 1 574 . 1 1 49 49 PHE CE2 C 13 130.94 0.05 . 1 . . . . . . . . 6489 1 575 . 1 1 49 49 PHE N N 15 118.39 0.05 . 1 . . . . . . . . 6489 1 576 . 1 1 50 50 ILE H H 1 8.24 0.02 . 1 . . . . . . . . 6489 1 577 . 1 1 50 50 ILE HA H 1 3.64 0.02 . 1 . . . . . . . . 6489 1 578 . 1 1 50 50 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 6489 1 579 . 1 1 50 50 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 6489 1 580 . 1 1 50 50 ILE HG13 H 1 2.00 0.02 . 2 . . . . . . . . 6489 1 581 . 1 1 50 50 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 6489 1 582 . 1 1 50 50 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 6489 1 583 . 1 1 50 50 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 6489 1 584 . 1 1 50 50 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 585 . 1 1 50 50 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 586 . 1 1 50 50 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 587 . 1 1 50 50 ILE C C 13 177.37 0.05 . 1 . . . . . . . . 6489 1 588 . 1 1 50 50 ILE CA C 13 64.99 0.05 . 1 . . . . . . . . 6489 1 589 . 1 1 50 50 ILE CB C 13 37.79 0.05 . 1 . . . . . . . . 6489 1 590 . 1 1 50 50 ILE CG1 C 13 29.66 0.05 . 1 . . . . . . . . 6489 1 591 . 1 1 50 50 ILE CG2 C 13 17.39 0.05 . 1 . . . . . . . . 6489 1 592 . 1 1 50 50 ILE CD1 C 13 13.52 0.05 . 1 . . . . . . . . 6489 1 593 . 1 1 50 50 ILE N N 15 118.26 0.05 . 1 . . . . . . . . 6489 1 594 . 1 1 51 51 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 6489 1 595 . 1 1 51 51 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 6489 1 596 . 1 1 51 51 GLY C C 13 175.06 0.05 . 1 . . . . . . . . 6489 1 597 . 1 1 51 51 GLY CA C 13 48.13 0.05 . 1 . . . . . . . . 6489 1 598 . 1 1 51 51 GLY N N 15 105.72 0.05 . 1 . . . . . . . . 6489 1 599 . 1 1 52 52 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 6489 1 600 . 1 1 52 52 VAL HA H 1 3.59 0.02 . 1 . . . . . . . . 6489 1 601 . 1 1 52 52 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 6489 1 602 . 1 1 52 52 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 603 . 1 1 52 52 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 604 . 1 1 52 52 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 6489 1 605 . 1 1 52 52 VAL HG21 H 1 1.10 0.02 . 1 . . . . . . . . 6489 1 606 . 1 1 52 52 VAL HG22 H 1 1.10 0.02 . 1 . . . . . . . . 6489 1 607 . 1 1 52 52 VAL HG23 H 1 1.10 0.02 . 1 . . . . . . . . 6489 1 608 . 1 1 52 52 VAL C C 13 177.20 0.05 . 1 . . . . . . . . 6489 1 609 . 1 1 52 52 VAL CA C 13 66.71 0.05 . 1 . . . . . . . . 6489 1 610 . 1 1 52 52 VAL CB C 13 31.61 0.05 . 1 . . . . . . . . 6489 1 611 . 1 1 52 52 VAL CG1 C 13 21.72 0.05 . 1 . . . . . . . . 6489 1 612 . 1 1 52 52 VAL CG2 C 13 23.47 0.05 . 1 . . . . . . . . 6489 1 613 . 1 1 52 52 VAL N N 15 120.32 0.05 . 1 . . . . . . . . 6489 1 614 . 1 1 53 53 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 6489 1 615 . 1 1 53 53 ALA HA H 1 3.96 0.02 . 1 . . . . . . . . 6489 1 616 . 1 1 53 53 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6489 1 617 . 1 1 53 53 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6489 1 618 . 1 1 53 53 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6489 1 619 . 1 1 53 53 ALA C C 13 179.70 0.05 . 1 . . . . . . . . 6489 1 620 . 1 1 53 53 ALA CA C 13 55.45 0.05 . 1 . . . . . . . . 6489 1 621 . 1 1 53 53 ALA CB C 13 18.41 0.05 . 1 . . . . . . . . 6489 1 622 . 1 1 53 53 ALA N N 15 121.57 0.05 . 1 . . . . . . . . 6489 1 623 . 1 1 54 54 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 6489 1 624 . 1 1 54 54 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 6489 1 625 . 1 1 54 54 LEU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6489 1 626 . 1 1 54 54 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6489 1 627 . 1 1 54 54 LEU HG H 1 1.89 0.02 . 1 . . . . . . . . 6489 1 628 . 1 1 54 54 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 6489 1 629 . 1 1 54 54 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 6489 1 630 . 1 1 54 54 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 6489 1 631 . 1 1 54 54 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 6489 1 632 . 1 1 54 54 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 6489 1 633 . 1 1 54 54 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 6489 1 634 . 1 1 54 54 LEU C C 13 178.89 0.05 . 1 . . . . . . . . 6489 1 635 . 1 1 54 54 LEU CA C 13 58.24 0.05 . 1 . . . . . . . . 6489 1 636 . 1 1 54 54 LEU CB C 13 42.01 0.05 . 1 . . . . . . . . 6489 1 637 . 1 1 54 54 LEU CG C 13 27.08 0.05 . 1 . . . . . . . . 6489 1 638 . 1 1 54 54 LEU CD1 C 13 25.59 0.05 . 2 . . . . . . . . 6489 1 639 . 1 1 54 54 LEU CD2 C 13 23.83 0.05 . 2 . . . . . . . . 6489 1 640 . 1 1 54 54 LEU N N 15 116.71 0.05 . 1 . . . . . . . . 6489 1 641 . 1 1 55 55 VAL H H 1 7.89 0.02 . 1 . . . . . . . . 6489 1 642 . 1 1 55 55 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . 6489 1 643 . 1 1 55 55 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 6489 1 644 . 1 1 55 55 VAL HG11 H 1 1.04 0.02 . 2 . . . . . . . . 6489 1 645 . 1 1 55 55 VAL HG12 H 1 1.04 0.02 . 2 . . . . . . . . 6489 1 646 . 1 1 55 55 VAL HG13 H 1 1.04 0.02 . 2 . . . . . . . . 6489 1 647 . 1 1 55 55 VAL HG21 H 1 1.14 0.02 . 2 . . . . . . . . 6489 1 648 . 1 1 55 55 VAL HG22 H 1 1.14 0.02 . 2 . . . . . . . . 6489 1 649 . 1 1 55 55 VAL HG23 H 1 1.14 0.02 . 2 . . . . . . . . 6489 1 650 . 1 1 55 55 VAL C C 13 178.18 0.05 . 1 . . . . . . . . 6489 1 651 . 1 1 55 55 VAL CA C 13 66.46 0.05 . 1 . . . . . . . . 6489 1 652 . 1 1 55 55 VAL CB C 13 31.71 0.05 . 1 . . . . . . . . 6489 1 653 . 1 1 55 55 VAL CG1 C 13 23.25 0.05 . 2 . . . . . . . . 6489 1 654 . 1 1 55 55 VAL CG2 C 13 21.90 0.05 . 2 . . . . . . . . 6489 1 655 . 1 1 55 55 VAL N N 15 117.25 0.05 . 1 . . . . . . . . 6489 1 656 . 1 1 56 56 GLU H H 1 8.14 0.02 . 1 . . . . . . . . 6489 1 657 . 1 1 56 56 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 6489 1 658 . 1 1 56 56 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 6489 1 659 . 1 1 56 56 GLU HB3 H 1 2.26 0.02 . 2 . . . . . . . . 6489 1 660 . 1 1 56 56 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 6489 1 661 . 1 1 56 56 GLU HG3 H 1 2.72 0.02 . 2 . . . . . . . . 6489 1 662 . 1 1 56 56 GLU C C 13 176.56 0.05 . 1 . . . . . . . . 6489 1 663 . 1 1 56 56 GLU CA C 13 58.26 0.05 . 1 . . . . . . . . 6489 1 664 . 1 1 56 56 GLU CB C 13 28.09 0.05 . 1 . . . . . . . . 6489 1 665 . 1 1 56 56 GLU CG C 13 33.78 0.05 . 1 . . . . . . . . 6489 1 666 . 1 1 56 56 GLU N N 15 115.98 0.05 . 1 . . . . . . . . 6489 1 667 . 1 1 57 57 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 6489 1 668 . 1 1 57 57 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 6489 1 669 . 1 1 57 57 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 670 . 1 1 57 57 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 671 . 1 1 57 57 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 6489 1 672 . 1 1 57 57 ALA C C 13 178.99 0.05 . 1 . . . . . . . . 6489 1 673 . 1 1 57 57 ALA CA C 13 53.57 0.05 . 1 . . . . . . . . 6489 1 674 . 1 1 57 57 ALA CB C 13 19.43 0.05 . 1 . . . . . . . . 6489 1 675 . 1 1 57 57 ALA N N 15 117.48 0.05 . 1 . . . . . . . . 6489 1 676 . 1 1 58 58 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 6489 1 677 . 1 1 58 58 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 6489 1 678 . 1 1 58 58 LEU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6489 1 679 . 1 1 58 58 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 6489 1 680 . 1 1 58 58 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 6489 1 681 . 1 1 58 58 LEU C C 13 175.74 0.05 . 1 . . . . . . . . 6489 1 682 . 1 1 58 58 LEU CA C 13 59.89 0.05 . 1 . . . . . . . . 6489 1 683 . 1 1 58 58 LEU CB C 13 39.75 0.05 . 1 . . . . . . . . 6489 1 684 . 1 1 58 58 LEU CG C 13 28.80 0.05 . 1 . . . . . . . . 6489 1 685 . 1 1 58 58 LEU N N 15 118.48 0.05 . 1 . . . . . . . . 6489 1 686 . 1 1 59 59 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 6489 1 687 . 1 1 59 59 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 6489 1 688 . 1 1 59 59 PRO HB3 H 1 2.21 0.02 . 2 . . . . . . . . 6489 1 689 . 1 1 59 59 PRO HG2 H 1 1.94 0.02 . 2 . . . . . . . . 6489 1 690 . 1 1 59 59 PRO HG3 H 1 1.83 0.02 . 2 . . . . . . . . 6489 1 691 . 1 1 59 59 PRO HD2 H 1 3.74 0.02 . 2 . . . . . . . . 6489 1 692 . 1 1 59 59 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 6489 1 693 . 1 1 59 59 PRO C C 13 177.86 0.05 . 1 . . . . . . . . 6489 1 694 . 1 1 59 59 PRO CA C 13 66.09 0.05 . 1 . . . . . . . . 6489 1 695 . 1 1 59 59 PRO CB C 13 31.67 0.05 . 1 . . . . . . . . 6489 1 696 . 1 1 59 59 PRO CG C 13 28.70 0.05 . 1 . . . . . . . . 6489 1 697 . 1 1 59 59 PRO CD C 13 50.32 0.05 . 1 . . . . . . . . 6489 1 698 . 1 1 60 60 ILE H H 1 7.10 0.02 . 1 . . . . . . . . 6489 1 699 . 1 1 60 60 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 6489 1 700 . 1 1 60 60 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . 6489 1 701 . 1 1 60 60 ILE HG12 H 1 1.72 0.02 . 2 . . . . . . . . 6489 1 702 . 1 1 60 60 ILE HG13 H 1 1.24 0.02 . 2 . . . . . . . . 6489 1 703 . 1 1 60 60 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 6489 1 704 . 1 1 60 60 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 6489 1 705 . 1 1 60 60 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 6489 1 706 . 1 1 60 60 ILE HD11 H 1 0.98 0.02 . 1 . . . . . . . . 6489 1 707 . 1 1 60 60 ILE HD12 H 1 0.98 0.02 . 1 . . . . . . . . 6489 1 708 . 1 1 60 60 ILE HD13 H 1 0.98 0.02 . 1 . . . . . . . . 6489 1 709 . 1 1 60 60 ILE C C 13 177.59 0.05 . 1 . . . . . . . . 6489 1 710 . 1 1 60 60 ILE CA C 13 64.28 0.05 . 1 . . . . . . . . 6489 1 711 . 1 1 60 60 ILE CB C 13 37.80 0.05 . 1 . . . . . . . . 6489 1 712 . 1 1 60 60 ILE CG1 C 13 28.90 0.05 . 1 . . . . . . . . 6489 1 713 . 1 1 60 60 ILE CG2 C 13 17.86 0.05 . 1 . . . . . . . . 6489 1 714 . 1 1 60 60 ILE CD1 C 13 13.14 0.05 . 1 . . . . . . . . 6489 1 715 . 1 1 60 60 ILE N N 15 114.87 0.05 . 1 . . . . . . . . 6489 1 716 . 1 1 61 61 ILE H H 1 8.06 0.02 . 1 . . . . . . . . 6489 1 717 . 1 1 61 61 ILE HA H 1 3.60 0.02 . 1 . . . . . . . . 6489 1 718 . 1 1 61 61 ILE HB H 1 1.98 0.02 . 1 . . . . . . . . 6489 1 719 . 1 1 61 61 ILE HG12 H 1 1.19 0.02 . 2 . . . . . . . . 6489 1 720 . 1 1 61 61 ILE HG13 H 1 1.72 0.02 . 2 . . . . . . . . 6489 1 721 . 1 1 61 61 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 6489 1 722 . 1 1 61 61 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 6489 1 723 . 1 1 61 61 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 6489 1 724 . 1 1 61 61 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 6489 1 725 . 1 1 61 61 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 6489 1 726 . 1 1 61 61 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 6489 1 727 . 1 1 61 61 ILE C C 13 178.07 0.05 . 1 . . . . . . . . 6489 1 728 . 1 1 61 61 ILE CA C 13 65.13 0.05 . 1 . . . . . . . . 6489 1 729 . 1 1 61 61 ILE CB C 13 37.67 0.05 . 1 . . . . . . . . 6489 1 730 . 1 1 61 61 ILE CG1 C 13 29.15 0.05 . 1 . . . . . . . . 6489 1 731 . 1 1 61 61 ILE CG2 C 13 17.73 0.05 . 1 . . . . . . . . 6489 1 732 . 1 1 61 61 ILE CD1 C 13 13.26 0.05 . 1 . . . . . . . . 6489 1 733 . 1 1 61 61 ILE N N 15 119.72 0.05 . 1 . . . . . . . . 6489 1 734 . 1 1 62 62 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 6489 1 735 . 1 1 62 62 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 6489 1 736 . 1 1 62 62 GLY C C 13 176.30 0.05 . 1 . . . . . . . . 6489 1 737 . 1 1 62 62 GLY CA C 13 47.92 0.05 . 1 . . . . . . . . 6489 1 738 . 1 1 62 62 GLY N N 15 104.84 0.05 . 1 . . . . . . . . 6489 1 739 . 1 1 63 63 VAL H H 1 8.01 0.02 . 1 . . . . . . . . 6489 1 740 . 1 1 63 63 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . 6489 1 741 . 1 1 63 63 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 6489 1 742 . 1 1 63 63 VAL HG11 H 1 0.99 0.02 . 1 . . . . . . . . 6489 1 743 . 1 1 63 63 VAL HG12 H 1 0.99 0.02 . 1 . . . . . . . . 6489 1 744 . 1 1 63 63 VAL HG13 H 1 0.99 0.02 . 1 . . . . . . . . 6489 1 745 . 1 1 63 63 VAL HG21 H 1 1.18 0.02 . 1 . . . . . . . . 6489 1 746 . 1 1 63 63 VAL HG22 H 1 1.18 0.02 . 1 . . . . . . . . 6489 1 747 . 1 1 63 63 VAL HG23 H 1 1.18 0.02 . 1 . . . . . . . . 6489 1 748 . 1 1 63 63 VAL C C 13 177.71 0.05 . 1 . . . . . . . . 6489 1 749 . 1 1 63 63 VAL CA C 13 67.26 0.05 . 1 . . . . . . . . 6489 1 750 . 1 1 63 63 VAL CB C 13 31.80 0.05 . 1 . . . . . . . . 6489 1 751 . 1 1 63 63 VAL CG1 C 13 21.93 0.05 . 1 . . . . . . . . 6489 1 752 . 1 1 63 63 VAL CG2 C 13 23.30 0.05 . 1 . . . . . . . . 6489 1 753 . 1 1 63 63 VAL N N 15 123.87 0.05 . 1 . . . . . . . . 6489 1 754 . 1 1 64 64 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 6489 1 755 . 1 1 64 64 VAL HA H 1 3.63 0.02 . 1 . . . . . . . . 6489 1 756 . 1 1 64 64 VAL HB H 1 2.24 0.02 . 1 . . . . . . . . 6489 1 757 . 1 1 64 64 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 6489 1 758 . 1 1 64 64 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 6489 1 759 . 1 1 64 64 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 6489 1 760 . 1 1 64 64 VAL HG21 H 1 1.11 0.02 . 2 . . . . . . . . 6489 1 761 . 1 1 64 64 VAL HG22 H 1 1.11 0.02 . 2 . . . . . . . . 6489 1 762 . 1 1 64 64 VAL HG23 H 1 1.11 0.02 . 2 . . . . . . . . 6489 1 763 . 1 1 64 64 VAL C C 13 178.06 0.05 . 1 . . . . . . . . 6489 1 764 . 1 1 64 64 VAL CA C 13 67.65 0.05 . 1 . . . . . . . . 6489 1 765 . 1 1 64 64 VAL CB C 13 31.60 0.05 . 1 . . . . . . . . 6489 1 766 . 1 1 64 64 VAL CG1 C 13 23.10 0.05 . 2 . . . . . . . . 6489 1 767 . 1 1 64 64 VAL CG2 C 13 21.71 0.05 . 2 . . . . . . . . 6489 1 768 . 1 1 64 64 VAL N N 15 120.54 0.05 . 1 . . . . . . . . 6489 1 769 . 1 1 65 65 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 6489 1 770 . 1 1 65 65 PHE HA H 1 4.27 0.02 . 1 . . . . . . . . 6489 1 771 . 1 1 65 65 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 6489 1 772 . 1 1 65 65 PHE HB3 H 1 3.21 0.02 . 2 . . . . . . . . 6489 1 773 . 1 1 65 65 PHE HD1 H 1 7.20 0.02 . 1 . . . . . . . . 6489 1 774 . 1 1 65 65 PHE HD2 H 1 7.20 0.02 . 1 . . . . . . . . 6489 1 775 . 1 1 65 65 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 6489 1 776 . 1 1 65 65 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 6489 1 777 . 1 1 65 65 PHE C C 13 177.75 0.05 . 1 . . . . . . . . 6489 1 778 . 1 1 65 65 PHE CA C 13 61.49 0.05 . 1 . . . . . . . . 6489 1 779 . 1 1 65 65 PHE CB C 13 38.93 0.05 . 1 . . . . . . . . 6489 1 780 . 1 1 65 65 PHE CD1 C 13 130.99 0.05 . 1 . . . . . . . . 6489 1 781 . 1 1 65 65 PHE CD2 C 13 130.99 0.05 . 1 . . . . . . . . 6489 1 782 . 1 1 65 65 PHE CE1 C 13 130.99 0.05 . 1 . . . . . . . . 6489 1 783 . 1 1 65 65 PHE CE2 C 13 130.99 0.05 . 1 . . . . . . . . 6489 1 784 . 1 1 65 65 PHE N N 15 117.45 0.05 . 1 . . . . . . . . 6489 1 785 . 1 1 66 66 SER H H 1 8.15 0.02 . 1 . . . . . . . . 6489 1 786 . 1 1 66 66 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 6489 1 787 . 1 1 66 66 SER HB2 H 1 3.94 0.02 . 1 . . . . . . . . 6489 1 788 . 1 1 66 66 SER HB3 H 1 3.94 0.02 . 1 . . . . . . . . 6489 1 789 . 1 1 66 66 SER HG H 1 4.37 0.02 . 1 . . . . . . . . 6489 1 790 . 1 1 66 66 SER C C 13 175.18 0.05 . 1 . . . . . . . . 6489 1 791 . 1 1 66 66 SER CA C 13 62.14 0.05 . 1 . . . . . . . . 6489 1 792 . 1 1 66 66 SER CB C 13 63.25 0.05 . 1 . . . . . . . . 6489 1 793 . 1 1 66 66 SER N N 15 114.81 0.05 . 1 . . . . . . . . 6489 1 794 . 1 1 67 67 PHE H H 1 8.20 0.02 . 1 . . . . . . . . 6489 1 795 . 1 1 67 67 PHE HA H 1 4.27 0.02 . 1 . . . . . . . . 6489 1 796 . 1 1 67 67 PHE HB2 H 1 3.32 0.02 . 2 . . . . . . . . 6489 1 797 . 1 1 67 67 PHE HB3 H 1 3.25 0.02 . 2 . . . . . . . . 6489 1 798 . 1 1 67 67 PHE HD1 H 1 7.26 0.02 . 1 . . . . . . . . 6489 1 799 . 1 1 67 67 PHE HD2 H 1 7.26 0.02 . 1 . . . . . . . . 6489 1 800 . 1 1 67 67 PHE HE1 H 1 7.25 0.02 . 1 . . . . . . . . 6489 1 801 . 1 1 67 67 PHE HE2 H 1 7.25 0.02 . 1 . . . . . . . . 6489 1 802 . 1 1 67 67 PHE C C 13 177.71 0.05 . 1 . . . . . . . . 6489 1 803 . 1 1 67 67 PHE CA C 13 61.45 0.05 . 1 . . . . . . . . 6489 1 804 . 1 1 67 67 PHE CB C 13 39.28 0.05 . 1 . . . . . . . . 6489 1 805 . 1 1 67 67 PHE CD1 C 13 131.60 0.05 . 1 . . . . . . . . 6489 1 806 . 1 1 67 67 PHE CD2 C 13 131.60 0.05 . 1 . . . . . . . . 6489 1 807 . 1 1 67 67 PHE CE1 C 13 131.22 0.05 . 1 . . . . . . . . 6489 1 808 . 1 1 67 67 PHE CE2 C 13 131.22 0.05 . 1 . . . . . . . . 6489 1 809 . 1 1 67 67 PHE N N 15 121.47 0.05 . 1 . . . . . . . . 6489 1 810 . 1 1 68 68 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 6489 1 811 . 1 1 68 68 ILE HA H 1 3.66 0.02 . 1 . . . . . . . . 6489 1 812 . 1 1 68 68 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 6489 1 813 . 1 1 68 68 ILE HG12 H 1 1.80 0.02 . 2 . . . . . . . . 6489 1 814 . 1 1 68 68 ILE HG13 H 1 1.18 0.02 . 2 . . . . . . . . 6489 1 815 . 1 1 68 68 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 6489 1 816 . 1 1 68 68 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 6489 1 817 . 1 1 68 68 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 6489 1 818 . 1 1 68 68 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 6489 1 819 . 1 1 68 68 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 6489 1 820 . 1 1 68 68 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 6489 1 821 . 1 1 68 68 ILE C C 13 177.55 0.05 . 1 . . . . . . . . 6489 1 822 . 1 1 68 68 ILE CA C 13 64.68 0.05 . 1 . . . . . . . . 6489 1 823 . 1 1 68 68 ILE CB C 13 37.86 0.05 . 1 . . . . . . . . 6489 1 824 . 1 1 68 68 ILE CG1 C 13 28.59 0.05 . 1 . . . . . . . . 6489 1 825 . 1 1 68 68 ILE CG2 C 13 17.27 0.05 . 1 . . . . . . . . 6489 1 826 . 1 1 68 68 ILE CD1 C 13 13.41 0.05 . 1 . . . . . . . . 6489 1 827 . 1 1 68 68 ILE N N 15 118.09 0.05 . 1 . . . . . . . . 6489 1 828 . 1 1 69 69 TYR H H 1 8.25 0.02 . 1 . . . . . . . . 6489 1 829 . 1 1 69 69 TYR HA H 1 4.18 0.02 . 1 . . . . . . . . 6489 1 830 . 1 1 69 69 TYR HB2 H 1 2.97 0.02 . 2 . . . . . . . . 6489 1 831 . 1 1 69 69 TYR HB3 H 1 2.76 0.02 . 2 . . . . . . . . 6489 1 832 . 1 1 69 69 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . 6489 1 833 . 1 1 69 69 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . 6489 1 834 . 1 1 69 69 TYR HE1 H 1 6.67 0.02 . 1 . . . . . . . . 6489 1 835 . 1 1 69 69 TYR HE2 H 1 6.67 0.02 . 1 . . . . . . . . 6489 1 836 . 1 1 69 69 TYR C C 13 177.30 0.05 . 1 . . . . . . . . 6489 1 837 . 1 1 69 69 TYR CA C 13 61.16 0.05 . 1 . . . . . . . . 6489 1 838 . 1 1 69 69 TYR CB C 13 38.85 0.05 . 1 . . . . . . . . 6489 1 839 . 1 1 69 69 TYR CD1 C 13 132.79 0.05 . 1 . . . . . . . . 6489 1 840 . 1 1 69 69 TYR CD2 C 13 132.79 0.05 . 1 . . . . . . . . 6489 1 841 . 1 1 69 69 TYR CE1 C 13 117.82 0.05 . 1 . . . . . . . . 6489 1 842 . 1 1 69 69 TYR CE2 C 13 117.82 0.05 . 1 . . . . . . . . 6489 1 843 . 1 1 69 69 TYR N N 15 117.54 0.05 . 1 . . . . . . . . 6489 1 844 . 1 1 70 70 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 6489 1 845 . 1 1 70 70 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 6489 1 846 . 1 1 70 70 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6489 1 847 . 1 1 70 70 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 6489 1 848 . 1 1 70 70 LEU HG H 1 1.85 0.02 . 1 . . . . . . . . 6489 1 849 . 1 1 70 70 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 850 . 1 1 70 70 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 851 . 1 1 70 70 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 6489 1 852 . 1 1 70 70 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 853 . 1 1 70 70 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 854 . 1 1 70 70 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 6489 1 855 . 1 1 70 70 LEU C C 13 177.66 0.05 . 1 . . . . . . . . 6489 1 856 . 1 1 70 70 LEU CA C 13 56.03 0.05 . 1 . . . . . . . . 6489 1 857 . 1 1 70 70 LEU CB C 13 42.47 0.05 . 1 . . . . . . . . 6489 1 858 . 1 1 70 70 LEU CG C 13 27.28 0.05 . 1 . . . . . . . . 6489 1 859 . 1 1 70 70 LEU CD1 C 13 25.48 0.05 . 1 . . . . . . . . 6489 1 860 . 1 1 70 70 LEU CD2 C 13 23.38 0.05 . 1 . . . . . . . . 6489 1 861 . 1 1 70 70 LEU N N 15 116.53 0.05 . 1 . . . . . . . . 6489 1 862 . 1 1 71 71 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 6489 1 863 . 1 1 71 71 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 6489 1 864 . 1 1 71 71 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 6489 1 865 . 1 1 71 71 GLY C C 13 173.51 0.05 . 1 . . . . . . . . 6489 1 866 . 1 1 71 71 GLY CA C 13 45.89 0.05 . 1 . . . . . . . . 6489 1 867 . 1 1 71 71 GLY N N 15 106.34 0.05 . 1 . . . . . . . . 6489 1 868 . 1 1 72 72 ARG H H 1 7.54 0.02 . 1 . . . . . . . . 6489 1 869 . 1 1 72 72 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 6489 1 870 . 1 1 72 72 ARG HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6489 1 871 . 1 1 72 72 ARG HB3 H 1 1.92 0.02 . 2 . . . . . . . . 6489 1 872 . 1 1 72 72 ARG HG2 H 1 1.60 0.02 . 1 . . . . . . . . 6489 1 873 . 1 1 72 72 ARG HG3 H 1 1.60 0.02 . 1 . . . . . . . . 6489 1 874 . 1 1 72 72 ARG HD2 H 1 3.13 0.02 . 2 . . . . . . . . 6489 1 875 . 1 1 72 72 ARG HD3 H 1 3.07 0.02 . 2 . . . . . . . . 6489 1 876 . 1 1 72 72 ARG C C 13 176.40 0.05 . 1 . . . . . . . . 6489 1 877 . 1 1 72 72 ARG CA C 13 54.40 0.05 . 1 . . . . . . . . 6489 1 878 . 1 1 72 72 ARG CB C 13 30.51 0.05 . 1 . . . . . . . . 6489 1 879 . 1 1 72 72 ARG CG C 13 28.29 0.05 . 1 . . . . . . . . 6489 1 880 . 1 1 72 72 ARG CD C 13 43.29 0.05 . 1 . . . . . . . . 6489 1 881 . 1 1 72 72 ARG N N 15 116.76 0.05 . 1 . . . . . . . . 6489 1 stop_ save_