data_7320 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7320 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'PufX structure' 'Structure analysis' 'The solution structure of the PufX polypeptide from Rhodobacter sphaeroides' 7320 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 7320 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7320 _Entry.Title ; PufX structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-20 _Entry.Accession_date 2006-10-20 _Entry.Last_release_date 2006-11-06 _Entry.Original_release_date 2006-11-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'The solution structure of the PufX polypeptide from Rhodobacter sphaeroides' _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 Richard Tunnicliffe . B. . 7320 2 Emma Ratcliffe . C. . 7320 3 Neil Hunter . C. . 7320 4 Mike Williamson . P. . 7320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 7320 '15N chemical shifts' 76 7320 '1H chemical shifts' 480 7320 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 . . 2006-11-06 2006-10-20 original author . 7320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ITA 'BMRB Entry Tracking System' 7320 PDB 2NRG 'BMRB Entry Tracking System' 7320 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The solution structure of the PufX polypeptide from Rhodobacter sphaeroides' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Richard Tunnicliffe . B. . 7320 1 2 Emma Ratcliffe . C. . 7320 1 3 Neil Hunter . C. . 7320 1 4 Mike Williamson . P. . 7320 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7320 _Assembly.ID 1 _Assembly.Name PufX _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 9052.6 _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 protein 7320 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 PufX 1 $PufX . . yes native no no 1 . . 7320 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'LH1+RC dimerisation' 7320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PufX _Entity.Sf_category entity _Entity.Sf_framecode PufX _Entity.Entry_ID 7320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PufX from Rhodobacter sphaeroides' _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 ; MADKTIFNDHLNTNPKTNLR LWVAFQMMKGAGWAGGVFFG TLLLIGFFRVVGRMLPIQEN QAPAPNITGALETGIELIKH LV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 9052.6 _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 10024 . PufX_polypeptide . . . . . 86.59 77 100.00 100.00 2.06e-43 . . . . 7320 1 2 no PDB 2DW3 . "Solution Structure Of The Rhodobacter Sphaeroides Pufx Membrane Protein" . . . . . 86.59 77 100.00 100.00 2.06e-43 . . . . 7320 1 3 no PDB 2ITA . "Solution Structure Of Pufx From Rhodobacter Sphaeroides" . . . . . 85.37 70 100.00 100.00 1.60e-42 . . . . 7320 1 4 no PDB 2NRG . "Solution Structure Of Pufx From Rhodobacter Sphaeroides (Minimised Average)" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 5 no PDB 4JC9 . "Rc-lh1-pufx Dimer Complex From Rhodobacter Sphaeroides" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 6 no PDB 4JCB . "Rc-lh1-pufx Dimer Complex From Rhodobacter Sphaeroides" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 7 no EMBL CAB38756 . "PUFX protien [Rhodobacter sphaeroides]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 8 no GB AAA26129 . "putative intrinsic membrane protein [Rhodobacter sphaeroides]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 9 no GB AAF24306 . "PufX [Rhodobacter sphaeroides]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 10 no GB ABA79427 . "Intrinsic membrane pufX protein [Rhodobacter sphaeroides 2.4.1]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 11 no GB ABN77002 . "intrinsic membrane PufX protien [Rhodobacter sphaeroides ATCC 17029]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 12 no GB ACM01440 . "Intrinsic membrane protein PufX [Rhodobacter sphaeroides KD131]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 13 no REF WP_002720419 . "MULTISPECIES: membrane protein [Rhodobacter]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 14 no REF YP_001043774 . "intrinsic membrane PufX protien [Rhodobacter sphaeroides ATCC 17029]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 15 no REF YP_002525941 . "Intrinsic membrane protein PufX [Rhodobacter sphaeroides KD131]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 16 no REF YP_353328 . "Intrinsic membrane pufX protein [Rhodobacter sphaeroides 2.4.1]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 1 17 no SP P13402 . "RecName: Full=Intrinsic membrane protein PufX [Rhodobacter sphaeroides 2.4.1]" . . . . . 100.00 82 100.00 100.00 2.27e-51 . . . . 7320 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 . 7320 1 2 . ALA . 7320 1 3 . ASP . 7320 1 4 . LYS . 7320 1 5 . THR . 7320 1 6 . ILE . 7320 1 7 . PHE . 7320 1 8 . ASN . 7320 1 9 . ASP . 7320 1 10 . HIS . 7320 1 11 . LEU . 7320 1 12 . ASN . 7320 1 13 . THR . 7320 1 14 . ASN . 7320 1 15 . PRO . 7320 1 16 . LYS . 7320 1 17 . THR . 7320 1 18 . ASN . 7320 1 19 . LEU . 7320 1 20 . ARG . 7320 1 21 . LEU . 7320 1 22 . TRP . 7320 1 23 . VAL . 7320 1 24 . ALA . 7320 1 25 . PHE . 7320 1 26 . GLN . 7320 1 27 . MET . 7320 1 28 . MET . 7320 1 29 . LYS . 7320 1 30 . GLY . 7320 1 31 . ALA . 7320 1 32 . GLY . 7320 1 33 . TRP . 7320 1 34 . ALA . 7320 1 35 . GLY . 7320 1 36 . GLY . 7320 1 37 . VAL . 7320 1 38 . PHE . 7320 1 39 . PHE . 7320 1 40 . GLY . 7320 1 41 . THR . 7320 1 42 . LEU . 7320 1 43 . LEU . 7320 1 44 . LEU . 7320 1 45 . ILE . 7320 1 46 . GLY . 7320 1 47 . PHE . 7320 1 48 . PHE . 7320 1 49 . ARG . 7320 1 50 . VAL . 7320 1 51 . VAL . 7320 1 52 . GLY . 7320 1 53 . ARG . 7320 1 54 . MET . 7320 1 55 . LEU . 7320 1 56 . PRO . 7320 1 57 . ILE . 7320 1 58 . GLN . 7320 1 59 . GLU . 7320 1 60 . ASN . 7320 1 61 . GLN . 7320 1 62 . ALA . 7320 1 63 . PRO . 7320 1 64 . ALA . 7320 1 65 . PRO . 7320 1 66 . ASN . 7320 1 67 . ILE . 7320 1 68 . THR . 7320 1 69 . GLY . 7320 1 70 . ALA . 7320 1 71 . LEU . 7320 1 72 . GLU . 7320 1 73 . THR . 7320 1 74 . GLY . 7320 1 75 . ILE . 7320 1 76 . GLU . 7320 1 77 . LEU . 7320 1 78 . ILE . 7320 1 79 . LYS . 7320 1 80 . HIS . 7320 1 81 . LEU . 7320 1 82 . VAL . 7320 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 7320 1 . ALA 2 2 7320 1 . ASP 3 3 7320 1 . LYS 4 4 7320 1 . THR 5 5 7320 1 . ILE 6 6 7320 1 . PHE 7 7 7320 1 . ASN 8 8 7320 1 . ASP 9 9 7320 1 . HIS 10 10 7320 1 . LEU 11 11 7320 1 . ASN 12 12 7320 1 . THR 13 13 7320 1 . ASN 14 14 7320 1 . PRO 15 15 7320 1 . LYS 16 16 7320 1 . THR 17 17 7320 1 . ASN 18 18 7320 1 . LEU 19 19 7320 1 . ARG 20 20 7320 1 . LEU 21 21 7320 1 . TRP 22 22 7320 1 . VAL 23 23 7320 1 . ALA 24 24 7320 1 . PHE 25 25 7320 1 . GLN 26 26 7320 1 . MET 27 27 7320 1 . MET 28 28 7320 1 . LYS 29 29 7320 1 . GLY 30 30 7320 1 . ALA 31 31 7320 1 . GLY 32 32 7320 1 . TRP 33 33 7320 1 . ALA 34 34 7320 1 . GLY 35 35 7320 1 . GLY 36 36 7320 1 . VAL 37 37 7320 1 . PHE 38 38 7320 1 . PHE 39 39 7320 1 . GLY 40 40 7320 1 . THR 41 41 7320 1 . LEU 42 42 7320 1 . LEU 43 43 7320 1 . LEU 44 44 7320 1 . ILE 45 45 7320 1 . GLY 46 46 7320 1 . PHE 47 47 7320 1 . PHE 48 48 7320 1 . ARG 49 49 7320 1 . VAL 50 50 7320 1 . VAL 51 51 7320 1 . GLY 52 52 7320 1 . ARG 53 53 7320 1 . MET 54 54 7320 1 . LEU 55 55 7320 1 . PRO 56 56 7320 1 . ILE 57 57 7320 1 . GLN 58 58 7320 1 . GLU 59 59 7320 1 . ASN 60 60 7320 1 . GLN 61 61 7320 1 . ALA 62 62 7320 1 . PRO 63 63 7320 1 . ALA 64 64 7320 1 . PRO 65 65 7320 1 . ASN 66 66 7320 1 . ILE 67 67 7320 1 . THR 68 68 7320 1 . GLY 69 69 7320 1 . ALA 70 70 7320 1 . LEU 71 71 7320 1 . GLU 72 72 7320 1 . THR 73 73 7320 1 . GLY 74 74 7320 1 . ILE 75 75 7320 1 . GLU 76 76 7320 1 . LEU 77 77 7320 1 . ILE 78 78 7320 1 . LYS 79 79 7320 1 . HIS 80 80 7320 1 . LEU 81 81 7320 1 . VAL 82 82 7320 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 7320 _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 $PufX . 272943 organism no . 'Rhodobacter sphaeroides' . . Eubacteria . Rhodobacter sphaeroides . . . . . . . . . . . . . . . . . . . . . 7320 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $PufX . EMBL . AY912081 updated . . . 7320 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 7320 _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 $PufX . 'recombinant technology' . 'E. coli' 'E. coli BL21(pLysS)' . . . . . . . . . . . . . . . . . . . . . . . . . . 7320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7320 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1:1 CD3OH, CCl3D' _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 'PufX from Rhodobacter sphaeroides' '[U-15N; U-13C]' . . 1 $PufX . protein 1 . . mM 0.1 . . . 7320 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7320 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Solubilised in 1:1 CD3OH, CCl3H The assignment was done in a methanol/chloroform mixture, and therefore it is not possible or appropriate to quote a pH value. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 0.5 K 7320 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7320 _Software.ID 1 _Software.Name FELIX _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys 'San Diego CA' . 7320 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX-800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_sepctrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode sepctrometer_2 _NMR_spectrometer.Entry_ID 7320 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX-600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7320 _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-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 3 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 6 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 7 13C/15N-edited_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 8 TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7320 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7320 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7320 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7320 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7320 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 15N-HSQC 1 $sample_1 isotropic 7320 1 2 HNCO 1 $sample_1 isotropic 7320 1 3 HN(CA)CO 1 $sample_1 isotropic 7320 1 4 HNCA 1 $sample_1 isotropic 7320 1 5 CBCA(CO)NH 1 $sample_1 isotropic 7320 1 6 HNHA 1 $sample_1 isotropic 7320 1 7 13C/15N-edited_NOESY 1 $sample_1 isotropic 7320 1 8 TOCSY-HSQC 1 $sample_1 isotropic 7320 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.502 0.1 . 1 . . . . 1 MET HA . 7320 1 2 . 1 1 1 1 MET HB2 H 1 1.402 0.1 . 1 . . . . 1 MET HB2 . 7320 1 3 . 1 1 1 1 MET C C 13 171.839 0.1 . 1 . . . . 1 MET C . 7320 1 4 . 1 1 2 2 ALA H H 1 7.963 0.02 . 1 . . . . 2 ALA H . 7320 1 5 . 1 1 2 2 ALA HA H 1 4.502 0.02 . 1 . . . . 2 ALA HA . 7320 1 6 . 1 1 2 2 ALA HB1 H 1 1.402 0.02 . 1 . . . . 2 ALA HB . 7320 1 7 . 1 1 2 2 ALA HB2 H 1 1.402 0.02 . 1 . . . . 2 ALA HB . 7320 1 8 . 1 1 2 2 ALA HB3 H 1 1.402 0.02 . 1 . . . . 2 ALA HB . 7320 1 9 . 1 1 2 2 ALA C C 13 173.251 0.1 . 1 . . . . 2 ALA C . 7320 1 10 . 1 1 2 2 ALA CA C 13 51.973 0.1 . 1 . . . . 2 ALA CA . 7320 1 11 . 1 1 2 2 ALA CB C 13 19.709 0.1 . 1 . . . . 2 ALA CB . 7320 1 12 . 1 1 2 2 ALA N N 15 121.469 0.1 . 1 . . . . 2 ALA N . 7320 1 13 . 1 1 3 3 ASP H H 1 7.805 0.02 . 1 . . . . 3 ASP H . 7320 1 14 . 1 1 3 3 ASP HA H 1 4.479 0.02 . 1 . . . . 3 ASP HA . 7320 1 15 . 1 1 3 3 ASP HB2 H 1 3.306 0.02 . 2 . . . . 3 ASP HB2 . 7320 1 16 . 1 1 3 3 ASP HB3 H 1 3.032 0.02 . 2 . . . . 3 ASP HB3 . 7320 1 17 . 1 1 3 3 ASP C C 13 173.135 0.1 . 1 . . . . 3 ASP C . 7320 1 18 . 1 1 3 3 ASP CA C 13 53.839 0.1 . 1 . . . . 3 ASP CA . 7320 1 19 . 1 1 3 3 ASP CB C 13 39.33 0.1 . 1 . . . . 3 ASP CB . 7320 1 20 . 1 1 3 3 ASP N N 15 118.528 0.1 . 1 . . . . 3 ASP N . 7320 1 21 . 1 1 4 4 LYS H H 1 8.102 0.02 . 1 . . . . 4 LYS H . 7320 1 22 . 1 1 4 4 LYS HA H 1 4.715 0.02 . 1 . . . . 4 LYS HA . 7320 1 23 . 1 1 4 4 LYS C C 13 172.86 0.1 . 1 . . . . 4 LYS C . 7320 1 24 . 1 1 4 4 LYS CA C 13 54.244 0.1 . 1 . . . . 4 LYS CA . 7320 1 25 . 1 1 4 4 LYS N N 15 116.59 0.1 . 1 . . . . 4 LYS N . 7320 1 26 . 1 1 5 5 THR H H 1 8.273 0.02 . 1 . . . . 5 THR H . 7320 1 27 . 1 1 5 5 THR HA H 1 4.41 0.02 . 1 . . . . 5 THR HA . 7320 1 28 . 1 1 5 5 THR HB H 1 4.386 0.02 . 1 . . . . 5 THR HB . 7320 1 29 . 1 1 5 5 THR HG21 H 1 1.36 0.02 . 1 . . . . 5 THR HG2 . 7320 1 30 . 1 1 5 5 THR HG22 H 1 1.36 0.02 . 1 . . . . 5 THR HG2 . 7320 1 31 . 1 1 5 5 THR HG23 H 1 1.36 0.02 . 1 . . . . 5 THR HG2 . 7320 1 32 . 1 1 5 5 THR C C 13 172.343 0.1 . 1 . . . . 5 THR C . 7320 1 33 . 1 1 5 5 THR CA C 13 61.614 0.1 . 1 . . . . 5 THR CA . 7320 1 34 . 1 1 5 5 THR CB C 13 68.442 0.1 . 1 . . . . 5 THR CB . 7320 1 35 . 1 1 5 5 THR CG2 C 13 22.083 0.1 . 1 . . . . 5 THR CG2 . 7320 1 36 . 1 1 5 5 THR N N 15 112.931 0.1 . 1 . . . . 5 THR N . 7320 1 37 . 1 1 6 6 ILE H H 1 8.004 0.02 . 1 . . . . 6 ILE H . 7320 1 38 . 1 1 6 6 ILE HA H 1 4.069 0.02 . 1 . . . . 6 ILE HA . 7320 1 39 . 1 1 6 6 ILE HB H 1 1.885 0.02 . 1 . . . . 6 ILE HB . 7320 1 40 . 1 1 6 6 ILE HG12 H 1 1.314 0.02 . 2 . . . . 6 ILE HG12 . 7320 1 41 . 1 1 6 6 ILE HG13 H 1 1.168 0.02 . 2 . . . . 6 ILE HG13 . 7320 1 42 . 1 1 6 6 ILE HG21 H 1 0.835 0.02 . 1 . . . . 6 ILE HG2 . 7320 1 43 . 1 1 6 6 ILE HG22 H 1 0.835 0.02 . 1 . . . . 6 ILE HG2 . 7320 1 44 . 1 1 6 6 ILE HG23 H 1 0.835 0.02 . 1 . . . . 6 ILE HG2 . 7320 1 45 . 1 1 6 6 ILE HD11 H 1 0.909 0.02 . 1 . . . . 6 ILE HD1 . 7320 1 46 . 1 1 6 6 ILE HD12 H 1 0.909 0.02 . 1 . . . . 6 ILE HD1 . 7320 1 47 . 1 1 6 6 ILE HD13 H 1 0.909 0.02 . 1 . . . . 6 ILE HD1 . 7320 1 48 . 1 1 6 6 ILE C C 13 173.259 0.1 . 1 . . . . 6 ILE C . 7320 1 49 . 1 1 6 6 ILE CA C 13 63.231 0.1 . 1 . . . . 6 ILE CA . 7320 1 50 . 1 1 6 6 ILE CB C 13 38.25 0.1 . 1 . . . . 6 ILE CB . 7320 1 51 . 1 1 6 6 ILE CG1 C 13 27.65 0.1 . 1 . . . . 6 ILE CG1 . 7320 1 52 . 1 1 6 6 ILE CG2 C 13 17.41 0.1 . 1 . . . . 6 ILE CG2 . 7320 1 53 . 1 1 6 6 ILE CD1 C 13 13.28 0.1 . 1 . . . . 6 ILE CD1 . 7320 1 54 . 1 1 6 6 ILE N N 15 117.75 0.1 . 1 . . . . 6 ILE N . 7320 1 55 . 1 1 7 7 PHE HB2 H 1 3.239 0.02 . 2 . . . . 7 PHE HB2 . 7320 1 56 . 1 1 7 7 PHE HB3 H 1 3.264 0.02 . 2 . . . . 7 PHE HB3 . 7320 1 57 . 1 1 7 7 PHE CB C 13 39.153 0.1 . 1 . . . . 7 PHE CB . 7320 1 58 . 1 1 9 9 ASP H H 1 8.662 0.02 . 1 . . . . 9 ASP H . 7320 1 59 . 1 1 9 9 ASP HA H 1 4.532 0.02 . 1 . . . . 9 ASP HA . 7320 1 60 . 1 1 9 9 ASP HB2 H 1 3.068 0.02 . 2 . . . . 9 ASP HB2 . 7320 1 61 . 1 1 9 9 ASP HB3 H 1 2.922 0.02 . 2 . . . . 9 ASP HB3 . 7320 1 62 . 1 1 9 9 ASP C C 13 173.894 0.1 . 1 . . . . 9 ASP C . 7320 1 63 . 1 1 9 9 ASP CA C 13 56.043 0.1 . 1 . . . . 9 ASP CA . 7320 1 64 . 1 1 9 9 ASP CB C 13 38.793 0.1 . 1 . . . . 9 ASP CB . 7320 1 65 . 1 1 9 9 ASP N N 15 118.06 0.1 . 1 . . . . 9 ASP N . 7320 1 66 . 1 1 10 10 HIS H H 1 8.236 0.02 . 1 . . . . 10 HIS H . 7320 1 67 . 1 1 10 10 HIS HA H 1 4.532 0.02 . 1 . . . . 10 HIS HA . 7320 1 68 . 1 1 10 10 HIS HB2 H 1 3.422 0.02 . 1 . . . . 10 HIS HB2 . 7320 1 69 . 1 1 10 10 HIS HB3 H 1 3.422 0.02 . 1 . . . . 10 HIS HB3 . 7320 1 70 . 1 1 10 10 HIS C C 13 172.445 0.1 . 1 . . . . 10 HIS C . 7320 1 71 . 1 1 10 10 HIS CA C 13 57.84 0.1 . 1 . . . . 10 HIS CA . 7320 1 72 . 1 1 10 10 HIS CB C 13 28.552 0.1 . 1 . . . . 10 HIS CB . 7320 1 73 . 1 1 10 10 HIS N N 15 116.587 0.1 . 1 . . . . 10 HIS N . 7320 1 74 . 1 1 11 11 LEU H H 1 8.187 0.02 . 1 . . . . 11 LEU H . 7320 1 75 . 1 1 11 11 LEU HA H 1 4.24 0.02 . 1 . . . . 11 LEU HA . 7320 1 76 . 1 1 11 11 LEU HB2 H 1 1.677 0.02 . 1 . . . . 11 LEU HB2 . 7320 1 77 . 1 1 11 11 LEU HB3 H 1 1.677 0.02 . 1 . . . . 11 LEU HB3 . 7320 1 78 . 1 1 11 11 LEU HG H 1 1.848 0.02 . 1 . . . . 11 LEU HG . 7320 1 79 . 1 1 11 11 LEU HD11 H 1 0.933 0.02 . 1 . . . . 11 LEU HD1 . 7320 1 80 . 1 1 11 11 LEU HD12 H 1 0.933 0.02 . 1 . . . . 11 LEU HD1 . 7320 1 81 . 1 1 11 11 LEU HD13 H 1 0.933 0.02 . 1 . . . . 11 LEU HD1 . 7320 1 82 . 1 1 11 11 LEU HD21 H 1 0.933 0.02 . 1 . . . . 11 LEU HD2 . 7320 1 83 . 1 1 11 11 LEU HD22 H 1 0.933 0.02 . 1 . . . . 11 LEU HD2 . 7320 1 84 . 1 1 11 11 LEU HD23 H 1 0.933 0.02 . 1 . . . . 11 LEU HD2 . 7320 1 85 . 1 1 11 11 LEU C C 13 174.473 0.1 . 1 . . . . 11 LEU C . 7320 1 86 . 1 1 11 11 LEU CA C 13 56.941 0.1 . 1 . . . . 11 LEU CA . 7320 1 87 . 1 1 11 11 LEU CB C 13 41.309 0.1 . 1 . . . . 11 LEU CB . 7320 1 88 . 1 1 11 11 LEU CG C 13 27.294 0.1 . 1 . . . . 11 LEU CG . 7320 1 89 . 1 1 11 11 LEU CD1 C 13 23.7 0.1 . 1 . . . . 11 LEU CD1 . 7320 1 90 . 1 1 11 11 LEU CD2 C 13 23.7 0.1 . 1 . . . . 11 LEU CD2 . 7320 1 91 . 1 1 11 11 LEU N N 15 119.482 0.1 . 1 . . . . 11 LEU N . 7320 1 92 . 1 1 12 12 ASN H H 1 8.09 0.02 . 1 . . . . 12 ASN H . 7320 1 93 . 1 1 12 12 ASN HA H 1 4.783 0.02 . 1 . . . . 12 ASN HA . 7320 1 94 . 1 1 12 12 ASN HB2 H 1 2.897 0.02 . 2 . . . . 12 ASN HB2 . 7320 1 95 . 1 1 12 12 ASN HB3 H 1 2.971 0.02 . 2 . . . . 12 ASN HB3 . 7320 1 96 . 1 1 12 12 ASN C C 13 172.297 0.1 . 1 . . . . 12 ASN C . 7320 1 97 . 1 1 12 12 ASN CA C 13 54.437 0.1 . 1 . . . . 12 ASN CA . 7320 1 98 . 1 1 12 12 ASN CB C 13 39.153 0.1 . 1 . . . . 12 ASN CB . 7320 1 99 . 1 1 12 12 ASN N N 15 114.759 0.1 . 1 . . . . 12 ASN N . 7320 1 100 . 1 1 13 13 THR H H 1 7.716 0.02 . 1 . . . . 13 THR H . 7320 1 101 . 1 1 13 13 THR HA H 1 4.398 0.02 . 1 . . . . 13 THR HA . 7320 1 102 . 1 1 13 13 THR HB H 1 4.478 0.02 . 1 . . . . 13 THR HB . 7320 1 103 . 1 1 13 13 THR HG21 H 1 1.371 0.02 . 1 . . . . 13 THR HG2 . 7320 1 104 . 1 1 13 13 THR HG22 H 1 1.371 0.02 . 1 . . . . 13 THR HG2 . 7320 1 105 . 1 1 13 13 THR HG23 H 1 1.371 0.02 . 1 . . . . 13 THR HG2 . 7320 1 106 . 1 1 13 13 THR C C 13 170.709 0.1 . 1 . . . . 13 THR C . 7320 1 107 . 1 1 13 13 THR CA C 13 62.332 0.1 . 1 . . . . 13 THR CA . 7320 1 108 . 1 1 13 13 THR CB C 13 68.8 0.1 . 1 . . . . 13 THR CB . 7320 1 109 . 1 1 13 13 THR CG2 C 13 21.724 0.1 . 1 . . . . 13 THR CG2 . 7320 1 110 . 1 1 13 13 THR N N 15 110.036 0.1 . 1 . . . . 13 THR N . 7320 1 111 . 1 1 14 14 ASN H H 1 7.833 0.02 . 1 . . . . 14 ASN H . 7320 1 112 . 1 1 14 14 ASN HA H 1 5.033 0.02 . 1 . . . . 14 ASN HA . 7320 1 113 . 1 1 14 14 ASN HB2 H 1 2.91 0.02 . 1 . . . . 14 ASN HB2 . 7320 1 114 . 1 1 14 14 ASN HB3 H 1 2.91 0.02 . 1 . . . . 14 ASN HB3 . 7320 1 115 . 1 1 14 14 ASN HD21 H 1 7.065 0.02 . 2 . . . . 14 ASN HD21 . 7320 1 116 . 1 1 14 14 ASN HD22 H 1 7.883 0.02 . 2 . . . . 14 ASN HD22 . 7320 1 117 . 1 1 14 14 ASN C C 13 171.884 0.1 . 1 . . . . 14 ASN C . 7320 1 118 . 1 1 14 14 ASN CA C 13 51.912 0.1 . 1 . . . . 14 ASN CA . 7320 1 119 . 1 1 14 14 ASN CB C 13 39.153 0.1 . 1 . . . . 14 ASN CB . 7320 1 120 . 1 1 14 14 ASN N N 15 110.646 0.1 . 1 . . . . 14 ASN N . 7320 1 121 . 1 1 14 14 ASN ND2 N 15 111.255 0.1 . 1 . . . . 14 ASN ND2 . 7320 1 122 . 1 1 15 15 PRO HA H 1 4.484 0.02 . 1 . . . . 15 PRO HA . 7320 1 123 . 1 1 15 15 PRO HB2 H 1 2.092 0.02 . 2 . . . . 15 PRO HB2 . 7320 1 124 . 1 1 15 15 PRO HB3 H 1 2.495 0.02 . 2 . . . . 15 PRO HB3 . 7320 1 125 . 1 1 15 15 PRO HG2 H 1 2.153 0.02 . 2 . . . . 15 PRO HG2 . 7320 1 126 . 1 1 15 15 PRO HG3 H 1 2.226 0.02 . 2 . . . . 15 PRO HG3 . 7320 1 127 . 1 1 15 15 PRO HD2 H 1 3.959 0.02 . 2 . . . . 15 PRO HD2 . 7320 1 128 . 1 1 15 15 PRO HD3 H 1 4.154 0.02 . 2 . . . . 15 PRO HD3 . 7320 1 129 . 1 1 15 15 PRO C C 13 174.894 0.1 . 1 . . . . 15 PRO C . 7320 1 130 . 1 1 15 15 PRO CA C 13 65.387 0.1 . 1 . . . . 15 PRO CA . 7320 1 131 . 1 1 15 15 PRO CB C 13 32.504 0.1 . 1 . . . . 15 PRO CB . 7320 1 132 . 1 1 15 15 PRO CG C 13 27.834 0.1 . 1 . . . . 15 PRO CG . 7320 1 133 . 1 1 15 15 PRO CD C 13 50.654 0.1 . 1 . . . . 15 PRO CD . 7320 1 134 . 1 1 16 16 LYS H H 1 8.285 0.02 . 1 . . . . 16 LYS H . 7320 1 135 . 1 1 16 16 LYS HA H 1 4.136 0.02 . 1 . . . . 16 LYS HA . 7320 1 136 . 1 1 16 16 LYS HB2 H 1 2.039 0.02 . 2 . . . . 16 LYS HB2 . 7320 1 137 . 1 1 16 16 LYS HB3 H 1 1.985 0.02 . 2 . . . . 16 LYS HB3 . 7320 1 138 . 1 1 16 16 LYS HG2 H 1 1.702 0.02 . 2 . . . . 16 LYS HG2 . 7320 1 139 . 1 1 16 16 LYS HG3 H 1 1.543 0.02 . 2 . . . . 16 LYS HG3 . 7320 1 140 . 1 1 16 16 LYS HD2 H 1 1.836 0.02 . 1 . . . . 16 LYS HD2 . 7320 1 141 . 1 1 16 16 LYS HD3 H 1 1.836 0.02 . 1 . . . . 16 LYS HD3 . 7320 1 142 . 1 1 16 16 LYS HE2 H 1 3.048 0.02 . 2 . . . . 16 LYS HE2 . 7320 1 143 . 1 1 16 16 LYS HE3 H 1 3.018 0.02 . 2 . . . . 16 LYS HE3 . 7320 1 144 . 1 1 16 16 LYS C C 13 175.253 0.1 . 1 . . . . 16 LYS C . 7320 1 145 . 1 1 16 16 LYS CA C 13 59.64 0.1 . 1 . . . . 16 LYS CA . 7320 1 146 . 1 1 16 16 LYS CB C 13 32.32 0.1 . 1 . . . . 16 LYS CB . 7320 1 147 . 1 1 16 16 LYS CG C 13 26.04 0.1 . 1 . . . . 16 LYS CG . 7320 1 148 . 1 1 16 16 LYS CD C 13 29.63 0.1 . 1 . . . . 16 LYS CD . 7320 1 149 . 1 1 16 16 LYS N N 15 115.83 0.1 . 1 . . . . 16 LYS N . 7320 1 150 . 1 1 17 17 THR H H 1 7.894 0.02 . 1 . . . . 17 THR H . 7320 1 151 . 1 1 17 17 THR HA H 1 4.018 0.02 . 1 . . . . 17 THR HA . 7320 1 152 . 1 1 17 17 THR HB H 1 4.367 0.02 . 1 . . . . 17 THR HB . 7320 1 153 . 1 1 17 17 THR HG21 H 1 1.328 0.02 . 1 . . . . 17 THR HG2 . 7320 1 154 . 1 1 17 17 THR HG22 H 1 1.328 0.02 . 1 . . . . 17 THR HG2 . 7320 1 155 . 1 1 17 17 THR HG23 H 1 1.328 0.02 . 1 . . . . 17 THR HG2 . 7320 1 156 . 1 1 17 17 THR CA C 13 65.93 0.1 . 1 . . . . 17 THR CA . 7320 1 157 . 1 1 17 17 THR CB C 13 68.44 0.1 . 1 . . . . 17 THR CB . 7320 1 158 . 1 1 17 17 THR CG2 C 13 22.48 0.1 . 1 . . . . 17 THR CG2 . 7320 1 159 . 1 1 17 17 THR N N 15 114.45 0.1 . 1 . . . . 17 THR N . 7320 1 160 . 1 1 18 18 ASN H H 1 7.978 0.02 . 1 . . . . 18 ASN H . 7320 1 161 . 1 1 18 18 ASN HA H 1 4.551 0.02 . 1 . . . . 18 ASN HA . 7320 1 162 . 1 1 18 18 ASN HB2 H 1 2.895 0.02 . 2 . . . . 18 ASN HB2 . 7320 1 163 . 1 1 18 18 ASN HB3 H 1 2.794 0.02 . 2 . . . . 18 ASN HB3 . 7320 1 164 . 1 1 18 18 ASN HD21 H 1 7.596 0.02 . 2 . . . . 18 ASN HD21 . 7320 1 165 . 1 1 18 18 ASN HD22 H 1 6.767 0.02 . 2 . . . . 18 ASN HD22 . 7320 1 166 . 1 1 18 18 ASN C C 13 173.94 0.1 . 1 . . . . 18 ASN C . 7320 1 167 . 1 1 18 18 ASN CA C 13 56.27 0.1 . 1 . . . . 18 ASN CA . 7320 1 168 . 1 1 18 18 ASN CB C 13 38.538 0.1 . 1 . . . . 18 ASN CB . 7320 1 169 . 1 1 18 18 ASN N N 15 119.172 0.1 . 1 . . . . 18 ASN N . 7320 1 170 . 1 1 18 18 ASN ND2 N 15 109.12 0.1 . 1 . . . . 18 ASN ND2 . 7320 1 171 . 1 1 19 19 LEU H H 1 8.168 0.02 . 1 . . . . 19 LEU H . 7320 1 172 . 1 1 19 19 LEU HA H 1 4.342 0.02 . 1 . . . . 19 LEU HA . 7320 1 173 . 1 1 19 19 LEU HB2 H 1 1.987 0.02 . 2 . . . . 19 LEU HB2 . 7320 1 174 . 1 1 19 19 LEU HB3 H 1 1.879 0.02 . 2 . . . . 19 LEU HB3 . 7320 1 175 . 1 1 19 19 LEU HG H 1 1.875 0.02 . 1 . . . . 19 LEU HG . 7320 1 176 . 1 1 19 19 LEU HD11 H 1 1.09 0.02 . 1 . . . . 19 LEU HD1 . 7320 1 177 . 1 1 19 19 LEU HD12 H 1 1.09 0.02 . 1 . . . . 19 LEU HD1 . 7320 1 178 . 1 1 19 19 LEU HD13 H 1 1.09 0.02 . 1 . . . . 19 LEU HD1 . 7320 1 179 . 1 1 19 19 LEU HD21 H 1 1.09 0.02 . 1 . . . . 19 LEU HD2 . 7320 1 180 . 1 1 19 19 LEU HD22 H 1 1.09 0.02 . 1 . . . . 19 LEU HD2 . 7320 1 181 . 1 1 19 19 LEU HD23 H 1 1.09 0.02 . 1 . . . . 19 LEU HD2 . 7320 1 182 . 1 1 19 19 LEU C C 13 175.224 0.1 . 1 . . . . 19 LEU C . 7320 1 183 . 1 1 19 19 LEU CA C 13 58.179 0.1 . 1 . . . . 19 LEU CA . 7320 1 184 . 1 1 19 19 LEU CB C 13 42 0.1 . 1 . . . . 19 LEU CB . 7320 1 185 . 1 1 19 19 LEU CG C 13 27.29 0.1 . 1 . . . . 19 LEU CG . 7320 1 186 . 1 1 19 19 LEU CD1 C 13 24.24 0.1 . 1 . . . . 19 LEU CD1 . 7320 1 187 . 1 1 19 19 LEU CD2 C 13 24.24 0.1 . 1 . . . . 19 LEU CD2 . 7320 1 188 . 1 1 19 19 LEU N N 15 120.42 0.1 . 1 . . . . 19 LEU N . 7320 1 189 . 1 1 20 20 ARG H H 1 8.118 0.02 . 1 . . . . 20 ARG H . 7320 1 190 . 1 1 20 20 ARG HA H 1 4.093 0.02 . 1 . . . . 20 ARG HA . 7320 1 191 . 1 1 20 20 ARG HB2 H 1 2.165 0.02 . 2 . . . . 20 ARG HB2 . 7320 1 192 . 1 1 20 20 ARG HB3 H 1 2.108 0.02 . 2 . . . . 20 ARG HB3 . 7320 1 193 . 1 1 20 20 ARG HG2 H 1 1.811 0.02 . 1 . . . . 20 ARG HG2 . 7320 1 194 . 1 1 20 20 ARG HG3 H 1 1.811 0.02 . 1 . . . . 20 ARG HG3 . 7320 1 195 . 1 1 20 20 ARG HD2 H 1 3.337 0.02 . 1 . . . . 20 ARG HD2 . 7320 1 196 . 1 1 20 20 ARG HD3 H 1 3.337 0.02 . 1 . . . . 20 ARG HD3 . 7320 1 197 . 1 1 20 20 ARG HE H 1 7.699 0.02 . 1 . . . . 20 ARG HE . 7320 1 198 . 1 1 20 20 ARG C C 13 175.588 0.1 . 1 . . . . 20 ARG C . 7320 1 199 . 1 1 20 20 ARG CA C 13 60.356 0.1 . 1 . . . . 20 ARG CA . 7320 1 200 . 1 1 20 20 ARG CB C 13 30.17 0.1 . 1 . . . . 20 ARG CB . 7320 1 201 . 1 1 20 20 ARG CG C 13 28.55 0.1 . 1 . . . . 20 ARG CG . 7320 1 202 . 1 1 20 20 ARG CD C 13 43.645 0.1 . 1 . . . . 20 ARG CD . 7320 1 203 . 1 1 20 20 ARG N N 15 117.501 0.1 . 1 . . . . 20 ARG N . 7320 1 204 . 1 1 20 20 ARG NE N 15 86.88 0.1 . 1 . . . . 20 ARG NE . 7320 1 205 . 1 1 21 21 LEU H H 1 8.222 0.02 . 1 . . . . 21 LEU H . 7320 1 206 . 1 1 21 21 LEU HA H 1 4.164 0.02 . 1 . . . . 21 LEU HA . 7320 1 207 . 1 1 21 21 LEU HB2 H 1 2.041 0.02 . 2 . . . . 21 LEU HB2 . 7320 1 208 . 1 1 21 21 LEU HB3 H 1 1.714 0.02 . 2 . . . . 21 LEU HB3 . 7320 1 209 . 1 1 21 21 LEU HG H 1 1.908 0.02 . 1 . . . . 21 LEU HG . 7320 1 210 . 1 1 21 21 LEU HD11 H 1 1.029 0.02 . 1 . . . . 21 LEU HD1 . 7320 1 211 . 1 1 21 21 LEU HD12 H 1 1.029 0.02 . 1 . . . . 21 LEU HD1 . 7320 1 212 . 1 1 21 21 LEU HD13 H 1 1.029 0.02 . 1 . . . . 21 LEU HD1 . 7320 1 213 . 1 1 21 21 LEU HD21 H 1 1.018 0.02 . 1 . . . . 21 LEU HD2 . 7320 1 214 . 1 1 21 21 LEU HD22 H 1 1.018 0.02 . 1 . . . . 21 LEU HD2 . 7320 1 215 . 1 1 21 21 LEU HD23 H 1 1.018 0.02 . 1 . . . . 21 LEU HD2 . 7320 1 216 . 1 1 21 21 LEU C C 13 175.053 0.1 . 1 . . . . 21 LEU C . 7320 1 217 . 1 1 21 21 LEU CA C 13 58.086 0.1 . 1 . . . . 21 LEU CA . 7320 1 218 . 1 1 21 21 LEU CB C 13 41.775 0.1 . 1 . . . . 21 LEU CB . 7320 1 219 . 1 1 21 21 LEU CG C 13 27.29 0.1 . 1 . . . . 21 LEU CG . 7320 1 220 . 1 1 21 21 LEU CD1 C 13 24.88 0.1 . 1 . . . . 21 LEU CD1 . 7320 1 221 . 1 1 21 21 LEU CD2 C 13 24.06 0.1 . 1 . . . . 21 LEU CD2 . 7320 1 222 . 1 1 21 21 LEU N N 15 118.749 0.1 . 1 . . . . 21 LEU N . 7320 1 223 . 1 1 22 22 TRP H H 1 8.444 0.02 . 1 . . . . 22 TRP H . 7320 1 224 . 1 1 22 22 TRP HA H 1 4.384 0.02 . 1 . . . . 22 TRP HA . 7320 1 225 . 1 1 22 22 TRP HB2 H 1 3.762 0.02 . 2 . . . . 22 TRP HB2 . 7320 1 226 . 1 1 22 22 TRP HB3 H 1 3.544 0.02 . 2 . . . . 22 TRP HB3 . 7320 1 227 . 1 1 22 22 TRP HD1 H 1 7.236 0.02 . 1 . . . . 22 TRP HD1 . 7320 1 228 . 1 1 22 22 TRP HE1 H 1 10.355 0.02 . 1 . . . . 22 TRP HE1 . 7320 1 229 . 1 1 22 22 TRP HE3 H 1 7.132 0.02 . 1 . . . . 22 TRP HE3 . 7320 1 230 . 1 1 22 22 TRP HZ2 H 1 7.444 0.02 . 1 . . . . 22 TRP HZ2 . 7320 1 231 . 1 1 22 22 TRP HZ3 H 1 7.09 0.02 . 1 . . . . 22 TRP HZ3 . 7320 1 232 . 1 1 22 22 TRP HH2 H 1 7.218 0.02 . 1 . . . . 22 TRP HH2 . 7320 1 233 . 1 1 22 22 TRP C C 13 175.585 0.1 . 1 . . . . 22 TRP C . 7320 1 234 . 1 1 22 22 TRP CA C 13 62.117 0.1 . 1 . . . . 22 TRP CA . 7320 1 235 . 1 1 22 22 TRP CB C 13 29.451 0.1 . 1 . . . . 22 TRP CB . 7320 1 236 . 1 1 22 22 TRP CD1 C 13 126.12 0.1 . 1 . . . . 22 TRP CD1 . 7320 1 237 . 1 1 22 22 TRP CE3 C 13 121.27 0.1 . 1 . . . . 22 TRP CE3 . 7320 1 238 . 1 1 22 22 TRP CZ2 C 13 114.08 0.1 . 1 . . . . 22 TRP CZ2 . 7320 1 239 . 1 1 22 22 TRP CZ3 C 13 121.45 0.1 . 1 . . . . 22 TRP CZ3 . 7320 1 240 . 1 1 22 22 TRP CH2 C 13 123.965 0.1 . 1 . . . . 22 TRP CH2 . 7320 1 241 . 1 1 22 22 TRP N N 15 120.435 0.1 . 1 . . . . 22 TRP N . 7320 1 242 . 1 1 22 22 TRP NE1 N 15 128.227 0.1 . 1 . . . . 22 TRP NE1 . 7320 1 243 . 1 1 23 23 VAL H H 1 8.778 0.02 . 1 . . . . 23 VAL H . 7320 1 244 . 1 1 23 23 VAL HA H 1 3.501 0.02 . 1 . . . . 23 VAL HA . 7320 1 245 . 1 1 23 23 VAL HB H 1 2.403 0.02 . 1 . . . . 23 VAL HB . 7320 1 246 . 1 1 23 23 VAL HG11 H 1 1.415 0.02 . 1 . . . . 23 VAL HG1 . 7320 1 247 . 1 1 23 23 VAL HG12 H 1 1.415 0.02 . 1 . . . . 23 VAL HG1 . 7320 1 248 . 1 1 23 23 VAL HG13 H 1 1.415 0.02 . 1 . . . . 23 VAL HG1 . 7320 1 249 . 1 1 23 23 VAL HG21 H 1 1.123 0.02 . 1 . . . . 23 VAL HG2 . 7320 1 250 . 1 1 23 23 VAL HG22 H 1 1.123 0.02 . 1 . . . . 23 VAL HG2 . 7320 1 251 . 1 1 23 23 VAL HG23 H 1 1.123 0.02 . 1 . . . . 23 VAL HG2 . 7320 1 252 . 1 1 23 23 VAL C C 13 174.922 0.1 . 1 . . . . 23 VAL C . 7320 1 253 . 1 1 23 23 VAL CA C 13 67.547 0.1 . 1 . . . . 23 VAL CA . 7320 1 254 . 1 1 23 23 VAL CB C 13 31.97 0.1 . 1 . . . . 23 VAL CB . 7320 1 255 . 1 1 23 23 VAL CG1 C 13 23.52 0.1 . 1 . . . . 23 VAL CG1 . 7320 1 256 . 1 1 23 23 VAL CG2 C 13 21.9 0.1 . 1 . . . . 23 VAL CG2 . 7320 1 257 . 1 1 23 23 VAL N N 15 118.569 0.1 . 1 . . . . 23 VAL N . 7320 1 258 . 1 1 24 24 ALA H H 1 8.344 0.02 . 1 . . . . 24 ALA H . 7320 1 259 . 1 1 24 24 ALA HA H 1 4.148 0.02 . 1 . . . . 24 ALA HA . 7320 1 260 . 1 1 24 24 ALA HB1 H 1 1.677 0.02 . 1 . . . . 24 ALA HB . 7320 1 261 . 1 1 24 24 ALA HB2 H 1 1.677 0.02 . 1 . . . . 24 ALA HB . 7320 1 262 . 1 1 24 24 ALA HB3 H 1 1.677 0.02 . 1 . . . . 24 ALA HB . 7320 1 263 . 1 1 24 24 ALA C C 13 176.549 0.1 . 1 . . . . 24 ALA C . 7320 1 264 . 1 1 24 24 ALA CA C 13 55.862 0.1 . 1 . . . . 24 ALA CA . 7320 1 265 . 1 1 24 24 ALA CB C 13 18.323 0.1 . 1 . . . . 24 ALA CB . 7320 1 266 . 1 1 24 24 ALA N N 15 121.679 0.1 . 1 . . . . 24 ALA N . 7320 1 267 . 1 1 25 25 PHE H H 1 8.654 0.02 . 1 . . . . 25 PHE H . 7320 1 268 . 1 1 25 25 PHE HA H 1 4.385 0.02 . 1 . . . . 25 PHE HA . 7320 1 269 . 1 1 25 25 PHE HB2 H 1 3.361 0.02 . 2 . . . . 25 PHE HB2 . 7320 1 270 . 1 1 25 25 PHE HB3 H 1 3.251 0.02 . 2 . . . . 25 PHE HB3 . 7320 1 271 . 1 1 25 25 PHE HD1 H 1 7.253 0.02 . 1 . . . . 25 PHE HD1 . 7320 1 272 . 1 1 25 25 PHE HD2 H 1 7.253 0.02 . 1 . . . . 25 PHE HD2 . 7320 1 273 . 1 1 25 25 PHE HE1 H 1 7.34 0.02 . 1 . . . . 25 PHE HE1 . 7320 1 274 . 1 1 25 25 PHE HE2 H 1 7.34 0.02 . 1 . . . . 25 PHE HE2 . 7320 1 275 . 1 1 25 25 PHE C C 13 174.909 0.1 . 1 . . . . 25 PHE C . 7320 1 276 . 1 1 25 25 PHE CA C 13 60.967 0.1 . 1 . . . . 25 PHE CA . 7320 1 277 . 1 1 25 25 PHE CB C 13 39.021 0.1 . 1 . . . . 25 PHE CB . 7320 1 278 . 1 1 25 25 PHE CD1 C 13 131.52 0.1 . 1 . . . . 25 PHE CD1 . 7320 1 279 . 1 1 25 25 PHE CD2 C 13 131.52 0.1 . 1 . . . . 25 PHE CD2 . 7320 1 280 . 1 1 25 25 PHE CE1 C 13 130.97 0.1 . 1 . . . . 25 PHE CE1 . 7320 1 281 . 1 1 25 25 PHE CE2 C 13 130.97 0.1 . 1 . . . . 25 PHE CE2 . 7320 1 282 . 1 1 25 25 PHE N N 15 117.947 0.1 . 1 . . . . 25 PHE N . 7320 1 283 . 1 1 26 26 GLN H H 1 8.275 0.02 . 1 . . . . 26 GLN H . 7320 1 284 . 1 1 26 26 GLN HA H 1 3.918 0.02 . 1 . . . . 26 GLN HA . 7320 1 285 . 1 1 26 26 GLN HB2 H 1 2.055 0.02 . 1 . . . . 26 GLN HB2 . 7320 1 286 . 1 1 26 26 GLN HB3 H 1 2.055 0.02 . 1 . . . . 26 GLN HB3 . 7320 1 287 . 1 1 26 26 GLN HG2 H 1 1.627 0.02 . 2 . . . . 26 GLN HG2 . 7320 1 288 . 1 1 26 26 GLN HG3 H 1 2.024 0.02 . 2 . . . . 26 GLN HG3 . 7320 1 289 . 1 1 26 26 GLN HE21 H 1 5.821 0.02 . 1 . . . . 26 GLN HE21 . 7320 1 290 . 1 1 26 26 GLN HE22 H 1 6.625 0.02 . 1 . . . . 26 GLN HE22 . 7320 1 291 . 1 1 26 26 GLN C C 13 176.454 0.1 . 1 . . . . 26 GLN C . 7320 1 292 . 1 1 26 26 GLN CA C 13 58.367 0.1 . 1 . . . . 26 GLN CA . 7320 1 293 . 1 1 26 26 GLN CB C 13 27.83 0.1 . 1 . . . . 26 GLN CB . 7320 1 294 . 1 1 26 26 GLN CG C 13 32.32 0.1 . 1 . . . . 26 GLN CG . 7320 1 295 . 1 1 26 26 GLN N N 15 117.526 0.1 . 1 . . . . 26 GLN N . 7320 1 296 . 1 1 26 26 GLN NE2 N 15 108.361 0.1 . 1 . . . . 26 GLN NE2 . 7320 1 297 . 1 1 27 27 MET H H 1 8.595 0.02 . 1 . . . . 27 MET H . 7320 1 298 . 1 1 27 27 MET HA H 1 4.185 0.02 . 1 . . . . 27 MET HA . 7320 1 299 . 1 1 27 27 MET HB2 H 1 2.423 0.02 . 2 . . . . 27 MET HB2 . 7320 1 300 . 1 1 27 27 MET HB3 H 1 2.202 0.02 . 2 . . . . 27 MET HB3 . 7320 1 301 . 1 1 27 27 MET HG2 H 1 2.897 0.02 . 2 . . . . 27 MET HG2 . 7320 1 302 . 1 1 27 27 MET HG3 H 1 2.629 0.02 . 2 . . . . 27 MET HG3 . 7320 1 303 . 1 1 27 27 MET HE1 H 1 1.688 0.02 . 1 . . . . 27 MET HE . 7320 1 304 . 1 1 27 27 MET HE2 H 1 1.688 0.02 . 1 . . . . 27 MET HE . 7320 1 305 . 1 1 27 27 MET HE3 H 1 1.688 0.02 . 1 . . . . 27 MET HE . 7320 1 306 . 1 1 27 27 MET C C 13 175.604 0.1 . 1 . . . . 27 MET C . 7320 1 307 . 1 1 27 27 MET CA C 13 59.313 0.1 . 1 . . . . 27 MET CA . 7320 1 308 . 1 1 27 27 MET CB C 13 32.69 0.1 . 1 . . . . 27 MET CB . 7320 1 309 . 1 1 27 27 MET CG C 13 33.04 0.1 . 1 . . . . 27 MET CG . 7320 1 310 . 1 1 27 27 MET CE C 13 18.31 0.1 . 1 . . . . 27 MET CE . 7320 1 311 . 1 1 27 27 MET N N 15 118.687 0.1 . 1 . . . . 27 MET N . 7320 1 312 . 1 1 28 28 MET H H 1 8.39 0.02 . 1 . . . . 28 MET H . 7320 1 313 . 1 1 28 28 MET HA H 1 4.189 0.02 . 1 . . . . 28 MET HA . 7320 1 314 . 1 1 28 28 MET HB2 H 1 2.335 0.02 . 2 . . . . 28 MET HB2 . 7320 1 315 . 1 1 28 28 MET HB3 H 1 2.203 0.02 . 2 . . . . 28 MET HB3 . 7320 1 316 . 1 1 28 28 MET HG2 H 1 2.666 0.02 . 2 . . . . 28 MET HG2 . 7320 1 317 . 1 1 28 28 MET HG3 H 1 2.86 0.02 . 2 . . . . 28 MET HG3 . 7320 1 318 . 1 1 28 28 MET HE1 H 1 1.677 0.02 . 1 . . . . 28 MET HE . 7320 1 319 . 1 1 28 28 MET HE2 H 1 1.677 0.02 . 1 . . . . 28 MET HE . 7320 1 320 . 1 1 28 28 MET HE3 H 1 1.677 0.02 . 1 . . . . 28 MET HE . 7320 1 321 . 1 1 28 28 MET C C 13 175.606 0.1 . 1 . . . . 28 MET C . 7320 1 322 . 1 1 28 28 MET CA C 13 59.076 0.1 . 1 . . . . 28 MET CA . 7320 1 323 . 1 1 28 28 MET CB C 13 32.889 0.1 . 1 . . . . 28 MET CB . 7320 1 324 . 1 1 28 28 MET CG C 13 32.86 0.1 . 1 . . . . 28 MET CG . 7320 1 325 . 1 1 28 28 MET CE C 13 18.31 0.1 . 1 . . . . 28 MET CE . 7320 1 326 . 1 1 28 28 MET N N 15 119.363 0.1 . 1 . . . . 28 MET N . 7320 1 327 . 1 1 29 29 LYS H H 1 8.281 0.02 . 1 . . . . 29 LYS H . 7320 1 328 . 1 1 29 29 LYS HA H 1 3.993 0.02 . 1 . . . . 29 LYS HA . 7320 1 329 . 1 1 29 29 LYS HB2 H 1 1.798 0.02 . 1 . . . . 29 LYS HB2 . 7320 1 330 . 1 1 29 29 LYS HB3 H 1 1.798 0.02 . 1 . . . . 29 LYS HB3 . 7320 1 331 . 1 1 29 29 LYS HG2 H 1 1.506 0.02 . 2 . . . . 29 LYS HG2 . 7320 1 332 . 1 1 29 29 LYS HG3 H 1 1.287 0.02 . 2 . . . . 29 LYS HG3 . 7320 1 333 . 1 1 29 29 LYS HD2 H 1 1.628 0.02 . 2 . . . . 29 LYS HD2 . 7320 1 334 . 1 1 29 29 LYS HD3 H 1 1.604 0.02 . 2 . . . . 29 LYS HD3 . 7320 1 335 . 1 1 29 29 LYS HE2 H 1 2.763 0.02 . 1 . . . . 29 LYS HE2 . 7320 1 336 . 1 1 29 29 LYS HE3 H 1 2.763 0.02 . 1 . . . . 29 LYS HE3 . 7320 1 337 . 1 1 29 29 LYS C C 13 175.972 0.1 . 1 . . . . 29 LYS C . 7320 1 338 . 1 1 29 29 LYS CA C 13 59.782 0.1 . 1 . . . . 29 LYS CA . 7320 1 339 . 1 1 29 29 LYS CB C 13 32.181 0.1 . 1 . . . . 29 LYS CB . 7320 1 340 . 1 1 29 29 LYS CG C 13 24.96 0.1 . 1 . . . . 29 LYS CG . 7320 1 341 . 1 1 29 29 LYS CD C 13 29.63 0.1 . 1 . . . . 29 LYS CD . 7320 1 342 . 1 1 29 29 LYS CE C 13 41.85 0.1 . 1 . . . . 29 LYS CE . 7320 1 343 . 1 1 29 29 LYS N N 15 119.626 0.1 . 1 . . . . 29 LYS N . 7320 1 344 . 1 1 30 30 GLY H H 1 8.432 0.02 . 1 . . . . 30 GLY H . 7320 1 345 . 1 1 30 30 GLY HA2 H 1 3.988 0.02 . 2 . . . . 30 GLY HA2 . 7320 1 346 . 1 1 30 30 GLY HA3 H 1 3.936 0.02 . 2 . . . . 30 GLY HA3 . 7320 1 347 . 1 1 30 30 GLY C C 13 172.126 0.1 . 1 . . . . 30 GLY C . 7320 1 348 . 1 1 30 30 GLY CA C 13 47.559 0.1 . 1 . . . . 30 GLY CA . 7320 1 349 . 1 1 30 30 GLY N N 15 106.336 0.1 . 1 . . . . 30 GLY N . 7320 1 350 . 1 1 31 31 ALA H H 1 8.504 0.02 . 1 . . . . 31 ALA H . 7320 1 351 . 1 1 31 31 ALA HA H 1 4.299 0.02 . 1 . . . . 31 ALA HA . 7320 1 352 . 1 1 31 31 ALA HB1 H 1 1.676 0.02 . 1 . . . . 31 ALA HB . 7320 1 353 . 1 1 31 31 ALA HB2 H 1 1.676 0.02 . 1 . . . . 31 ALA HB . 7320 1 354 . 1 1 31 31 ALA HB3 H 1 1.676 0.02 . 1 . . . . 31 ALA HB . 7320 1 355 . 1 1 31 31 ALA C C 13 177.216 0.1 . 1 . . . . 31 ALA C . 7320 1 356 . 1 1 31 31 ALA CA C 13 55.356 0.1 . 1 . . . . 31 ALA CA . 7320 1 357 . 1 1 31 31 ALA CB C 13 18.491 0.1 . 1 . . . . 31 ALA CB . 7320 1 358 . 1 1 31 31 ALA N N 15 123.888 0.1 . 1 . . . . 31 ALA N . 7320 1 359 . 1 1 32 32 GLY H H 1 8.569 0.02 . 1 . . . . 32 GLY H . 7320 1 360 . 1 1 32 32 GLY HA2 H 1 4.002 0.02 . 2 . . . . 32 GLY HA2 . 7320 1 361 . 1 1 32 32 GLY HA3 H 1 3.895 0.02 . 2 . . . . 32 GLY HA3 . 7320 1 362 . 1 1 32 32 GLY C C 13 172.846 0.1 . 1 . . . . 32 GLY C . 7320 1 363 . 1 1 32 32 GLY CA C 13 47.377 0.1 . 1 . . . . 32 GLY CA . 7320 1 364 . 1 1 32 32 GLY N N 15 105.95 0.1 . 1 . . . . 32 GLY N . 7320 1 365 . 1 1 33 33 TRP H H 1 8.538 0.02 . 1 . . . . 33 TRP H . 7320 1 366 . 1 1 33 33 TRP HA H 1 4.505 0.02 . 1 . . . . 33 TRP HA . 7320 1 367 . 1 1 33 33 TRP HB2 H 1 3.621 0.02 . 2 . . . . 33 TRP HB2 . 7320 1 368 . 1 1 33 33 TRP HB3 H 1 3.483 0.02 . 2 . . . . 33 TRP HB3 . 7320 1 369 . 1 1 33 33 TRP HD1 H 1 7.236 0.02 . 1 . . . . 33 TRP HD1 . 7320 1 370 . 1 1 33 33 TRP HE1 H 1 10.276 0.02 . 1 . . . . 33 TRP HE1 . 7320 1 371 . 1 1 33 33 TRP HZ2 H 1 7.432 0.02 . 1 . . . . 33 TRP HZ2 . 7320 1 372 . 1 1 33 33 TRP C C 13 174.572 0.1 . 1 . . . . 33 TRP C . 7320 1 373 . 1 1 33 33 TRP CA C 13 61.015 0.1 . 1 . . . . 33 TRP CA . 7320 1 374 . 1 1 33 33 TRP CB C 13 29.326 0.1 . 1 . . . . 33 TRP CB . 7320 1 375 . 1 1 33 33 TRP CD1 C 13 126.12 0.1 . 1 . . . . 33 TRP CD1 . 7320 1 376 . 1 1 33 33 TRP CZ2 C 13 115 0.1 . 1 . . . . 33 TRP CZ2 . 7320 1 377 . 1 1 33 33 TRP N N 15 123.479 0.1 . 1 . . . . 33 TRP N . 7320 1 378 . 1 1 33 33 TRP NE1 N 15 127.729 0.1 . 1 . . . . 33 TRP NE1 . 7320 1 379 . 1 1 34 34 ALA H H 1 8.653 0.02 . 1 . . . . 34 ALA H . 7320 1 380 . 1 1 34 34 ALA HA H 1 3.919 0.02 . 1 . . . . 34 ALA HA . 7320 1 381 . 1 1 34 34 ALA HB1 H 1 1.651 0.02 . 1 . . . . 34 ALA HB . 7320 1 382 . 1 1 34 34 ALA HB2 H 1 1.651 0.02 . 1 . . . . 34 ALA HB . 7320 1 383 . 1 1 34 34 ALA HB3 H 1 1.651 0.02 . 1 . . . . 34 ALA HB . 7320 1 384 . 1 1 34 34 ALA C C 13 177.041 0.1 . 1 . . . . 34 ALA C . 7320 1 385 . 1 1 34 34 ALA CA C 13 55.564 0.1 . 1 . . . . 34 ALA CA . 7320 1 386 . 1 1 34 34 ALA CB C 13 18.206 0.1 . 1 . . . . 34 ALA CB . 7320 1 387 . 1 1 34 34 ALA N N 15 120.502 0.1 . 1 . . . . 34 ALA N . 7320 1 388 . 1 1 35 35 GLY H H 1 8.708 0.02 . 1 . . . . 35 GLY H . 7320 1 389 . 1 1 35 35 GLY HA2 H 1 3.98 0.02 . 1 . . . . 35 GLY HA2 . 7320 1 390 . 1 1 35 35 GLY HA3 H 1 3.98 0.02 . 1 . . . . 35 GLY HA3 . 7320 1 391 . 1 1 35 35 GLY C C 13 172.508 0.1 . 1 . . . . 35 GLY C . 7320 1 392 . 1 1 35 35 GLY CA C 13 47.326 0.1 . 1 . . . . 35 GLY CA . 7320 1 393 . 1 1 35 35 GLY N N 15 104.63 0.1 . 1 . . . . 35 GLY N . 7320 1 394 . 1 1 36 36 GLY H H 1 8.393 0.02 . 1 . . . . 36 GLY H . 7320 1 395 . 1 1 36 36 GLY HA2 H 1 3.994 0.02 . 1 . . . . 36 GLY HA2 . 7320 1 396 . 1 1 36 36 GLY HA3 H 1 3.994 0.02 . 1 . . . . 36 GLY HA3 . 7320 1 397 . 1 1 36 36 GLY C C 13 173.249 0.1 . 1 . . . . 36 GLY C . 7320 1 398 . 1 1 36 36 GLY CA C 13 47.846 0.1 . 1 . . . . 36 GLY CA . 7320 1 399 . 1 1 36 36 GLY N N 15 109.654 0.1 . 1 . . . . 36 GLY N . 7320 1 400 . 1 1 37 37 VAL H H 1 8.326 0.02 . 1 . . . . 37 VAL H . 7320 1 401 . 1 1 37 37 VAL HA H 1 3.741 0.02 . 1 . . . . 37 VAL HA . 7320 1 402 . 1 1 37 37 VAL HB H 1 2.072 0.02 . 1 . . . . 37 VAL HB . 7320 1 403 . 1 1 37 37 VAL HG11 H 1 0.945 0.02 . 1 . . . . 37 VAL HG1 . 7320 1 404 . 1 1 37 37 VAL HG12 H 1 0.945 0.02 . 1 . . . . 37 VAL HG1 . 7320 1 405 . 1 1 37 37 VAL HG13 H 1 0.945 0.02 . 1 . . . . 37 VAL HG1 . 7320 1 406 . 1 1 37 37 VAL HG21 H 1 0.689 0.02 . 1 . . . . 37 VAL HG2 . 7320 1 407 . 1 1 37 37 VAL HG22 H 1 0.689 0.02 . 1 . . . . 37 VAL HG2 . 7320 1 408 . 1 1 37 37 VAL HG23 H 1 0.689 0.02 . 1 . . . . 37 VAL HG2 . 7320 1 409 . 1 1 37 37 VAL C C 13 176.13 0.1 . 1 . . . . 37 VAL C . 7320 1 410 . 1 1 37 37 VAL CA C 13 66.633 0.1 . 1 . . . . 37 VAL CA . 7320 1 411 . 1 1 37 37 VAL CB C 13 31.79 0.1 . 1 . . . . 37 VAL CB . 7320 1 412 . 1 1 37 37 VAL CG1 C 13 21.54 0.1 . 1 . . . . 37 VAL CG1 . 7320 1 413 . 1 1 37 37 VAL CG2 C 13 22.442 0.1 . 1 . . . . 37 VAL CG2 . 7320 1 414 . 1 1 37 37 VAL N N 15 122.264 0.1 . 1 . . . . 37 VAL N . 7320 1 415 . 1 1 38 38 PHE H H 1 8.606 0.02 . 1 . . . . 38 PHE H . 7320 1 416 . 1 1 38 38 PHE HA H 1 4.282 0.02 . 1 . . . . 38 PHE HA . 7320 1 417 . 1 1 38 38 PHE HB2 H 1 3.324 0.02 . 1 . . . . 38 PHE HB2 . 7320 1 418 . 1 1 38 38 PHE HB3 H 1 3.324 0.02 . 1 . . . . 38 PHE HB3 . 7320 1 419 . 1 1 38 38 PHE HD1 H 1 7.019 0.02 . 1 . . . . 38 PHE HD1 . 7320 1 420 . 1 1 38 38 PHE HD2 H 1 7.019 0.02 . 1 . . . . 38 PHE HD2 . 7320 1 421 . 1 1 38 38 PHE HE1 H 1 7.235 0.02 . 1 . . . . 38 PHE HE1 . 7320 1 422 . 1 1 38 38 PHE HE2 H 1 7.235 0.02 . 1 . . . . 38 PHE HE2 . 7320 1 423 . 1 1 38 38 PHE HZ H 1 7.03 0.02 . 1 . . . . 38 PHE HZ . 7320 1 424 . 1 1 38 38 PHE C C 13 173.797 0.1 . 1 . . . . 38 PHE C . 7320 1 425 . 1 1 38 38 PHE CA C 13 61.832 0.1 . 1 . . . . 38 PHE CA . 7320 1 426 . 1 1 38 38 PHE CB C 13 39.591 0.1 . 1 . . . . 38 PHE CB . 7320 1 427 . 1 1 38 38 PHE CD1 C 13 131.53 0.1 . 1 . . . . 38 PHE CD1 . 7320 1 428 . 1 1 38 38 PHE CD2 C 13 131.53 0.1 . 1 . . . . 38 PHE CD2 . 7320 1 429 . 1 1 38 38 PHE CE1 C 13 131.01 0.1 . 1 . . . . 38 PHE CE1 . 7320 1 430 . 1 1 38 38 PHE CE2 C 13 131.01 0.1 . 1 . . . . 38 PHE CE2 . 7320 1 431 . 1 1 38 38 PHE CZ C 13 130.081 0.1 . 1 . . . . 38 PHE CZ . 7320 1 432 . 1 1 38 38 PHE N N 15 123.18 0.1 . 1 . . . . 38 PHE N . 7320 1 433 . 1 1 39 39 PHE H H 1 8.89 0.02 . 1 . . . . 39 PHE H . 7320 1 434 . 1 1 39 39 PHE HA H 1 4.252 0.02 . 1 . . . . 39 PHE HA . 7320 1 435 . 1 1 39 39 PHE HB2 H 1 3.285 0.02 . 2 . . . . 39 PHE HB2 . 7320 1 436 . 1 1 39 39 PHE HB3 H 1 3.314 0.02 . 2 . . . . 39 PHE HB3 . 7320 1 437 . 1 1 39 39 PHE HD1 H 1 7.424 0.02 . 1 . . . . 39 PHE HD1 . 7320 1 438 . 1 1 39 39 PHE HD2 H 1 7.424 0.02 . 1 . . . . 39 PHE HD2 . 7320 1 439 . 1 1 39 39 PHE HE1 H 1 7.375 0.02 . 1 . . . . 39 PHE HE1 . 7320 1 440 . 1 1 39 39 PHE HE2 H 1 7.375 0.02 . 1 . . . . 39 PHE HE2 . 7320 1 441 . 1 1 39 39 PHE HZ H 1 7.229 0.02 . 1 . . . . 39 PHE HZ . 7320 1 442 . 1 1 39 39 PHE C C 13 175.001 0.1 . 1 . . . . 39 PHE C . 7320 1 443 . 1 1 39 39 PHE CA C 13 62.06 0.1 . 1 . . . . 39 PHE CA . 7320 1 444 . 1 1 39 39 PHE CB C 13 39.306 0.1 . 1 . . . . 39 PHE CB . 7320 1 445 . 1 1 39 39 PHE CD1 C 13 131.512 0.1 . 1 . . . . 39 PHE CD1 . 7320 1 446 . 1 1 39 39 PHE CD2 C 13 131.512 0.1 . 1 . . . . 39 PHE CD2 . 7320 1 447 . 1 1 39 39 PHE CE1 C 13 129.356 0.1 . 1 . . . . 39 PHE CE1 . 7320 1 448 . 1 1 39 39 PHE CE2 C 13 129.356 0.1 . 1 . . . . 39 PHE CE2 . 7320 1 449 . 1 1 39 39 PHE CZ C 13 129.176 0.1 . 1 . . . . 39 PHE CZ . 7320 1 450 . 1 1 39 39 PHE N N 15 117.978 0.1 . 1 . . . . 39 PHE N . 7320 1 451 . 1 1 40 40 GLY H H 1 8.809 0.02 . 1 . . . . 40 GLY H . 7320 1 452 . 1 1 40 40 GLY HA2 H 1 3.971 0.02 . 2 . . . . 40 GLY HA2 . 7320 1 453 . 1 1 40 40 GLY HA3 H 1 3.826 0.02 . 2 . . . . 40 GLY HA3 . 7320 1 454 . 1 1 40 40 GLY C C 13 172.335 0.1 . 1 . . . . 40 GLY C . 7320 1 455 . 1 1 40 40 GLY CA C 13 47.645 0.1 . 1 . . . . 40 GLY CA . 7320 1 456 . 1 1 40 40 GLY N N 15 105.933 0.1 . 1 . . . . 40 GLY N . 7320 1 457 . 1 1 41 41 THR H H 1 8.129 0.02 . 1 . . . . 41 THR H . 7320 1 458 . 1 1 41 41 THR HA H 1 3.959 0.02 . 1 . . . . 41 THR HA . 7320 1 459 . 1 1 41 41 THR HB H 1 4.405 0.02 . 1 . . . . 41 THR HB . 7320 1 460 . 1 1 41 41 THR HG21 H 1 1.336 0.02 . 1 . . . . 41 THR HG2 . 7320 1 461 . 1 1 41 41 THR HG22 H 1 1.336 0.02 . 1 . . . . 41 THR HG2 . 7320 1 462 . 1 1 41 41 THR HG23 H 1 1.336 0.02 . 1 . . . . 41 THR HG2 . 7320 1 463 . 1 1 41 41 THR C C 13 172.719 0.1 . 1 . . . . 41 THR C . 7320 1 464 . 1 1 41 41 THR CA C 13 68.263 0.1 . 1 . . . . 41 THR CA . 7320 1 465 . 1 1 41 41 THR CB C 13 67.9 0.1 . 1 . . . . 41 THR CB . 7320 1 466 . 1 1 41 41 THR CG2 C 13 21.544 0.1 . 1 . . . . 41 THR CG2 . 7320 1 467 . 1 1 41 41 THR N N 15 117.937 0.1 . 1 . . . . 41 THR N . 7320 1 468 . 1 1 42 42 LEU H H 1 7.811 0.02 . 1 . . . . 42 LEU H . 7320 1 469 . 1 1 42 42 LEU HA H 1 3.965 0.02 . 1 . . . . 42 LEU HA . 7320 1 470 . 1 1 42 42 LEU HB2 H 1 1.847 0.02 . 2 . . . . 42 LEU HB2 . 7320 1 471 . 1 1 42 42 LEU HB3 H 1 1.567 0.02 . 2 . . . . 42 LEU HB3 . 7320 1 472 . 1 1 42 42 LEU HG H 1 1.628 0.02 . 1 . . . . 42 LEU HG . 7320 1 473 . 1 1 42 42 LEU HD11 H 1 0.787 0.02 . 1 . . . . 42 LEU HD1 . 7320 1 474 . 1 1 42 42 LEU HD12 H 1 0.787 0.02 . 1 . . . . 42 LEU HD1 . 7320 1 475 . 1 1 42 42 LEU HD13 H 1 0.787 0.02 . 1 . . . . 42 LEU HD1 . 7320 1 476 . 1 1 42 42 LEU HD21 H 1 0.835 0.02 . 1 . . . . 42 LEU HD2 . 7320 1 477 . 1 1 42 42 LEU HD22 H 1 0.835 0.02 . 1 . . . . 42 LEU HD2 . 7320 1 478 . 1 1 42 42 LEU HD23 H 1 0.835 0.02 . 1 . . . . 42 LEU HD2 . 7320 1 479 . 1 1 42 42 LEU C C 13 176.551 0.1 . 1 . . . . 42 LEU C . 7320 1 480 . 1 1 42 42 LEU CA C 13 58.625 0.1 . 1 . . . . 42 LEU CA . 7320 1 481 . 1 1 42 42 LEU CB C 13 41.489 0.1 . 1 . . . . 42 LEU CB . 7320 1 482 . 1 1 42 42 LEU CG C 13 26.78 0.1 . 1 . . . . 42 LEU CG . 7320 1 483 . 1 1 42 42 LEU CD1 C 13 23.52 0.1 . 1 . . . . 42 LEU CD1 . 7320 1 484 . 1 1 42 42 LEU CD2 C 13 25.32 0.1 . 1 . . . . 42 LEU CD2 . 7320 1 485 . 1 1 42 42 LEU N N 15 121.296 0.1 . 1 . . . . 42 LEU N . 7320 1 486 . 1 1 43 43 LEU H H 1 8.142 0.1 . 1 . . . . 43 LEU H . 7320 1 487 . 1 1 43 43 LEU HA H 1 4.069 0.02 . 1 . . . . 43 LEU HA . 7320 1 488 . 1 1 43 43 LEU HB2 H 1 1.946 0.02 . 2 . . . . 43 LEU HB2 . 7320 1 489 . 1 1 43 43 LEU HB3 H 1 1.653 0.02 . 2 . . . . 43 LEU HB3 . 7320 1 490 . 1 1 43 43 LEU HG H 1 1.75 0.02 . 1 . . . . 43 LEU HG . 7320 1 491 . 1 1 43 43 LEU HD11 H 1 0.933 0.02 . 1 . . . . 43 LEU HD1 . 7320 1 492 . 1 1 43 43 LEU HD12 H 1 0.933 0.02 . 1 . . . . 43 LEU HD1 . 7320 1 493 . 1 1 43 43 LEU HD13 H 1 0.933 0.02 . 1 . . . . 43 LEU HD1 . 7320 1 494 . 1 1 43 43 LEU HD21 H 1 0.945 0.02 . 1 . . . . 43 LEU HD2 . 7320 1 495 . 1 1 43 43 LEU HD22 H 1 0.945 0.02 . 1 . . . . 43 LEU HD2 . 7320 1 496 . 1 1 43 43 LEU HD23 H 1 0.945 0.02 . 1 . . . . 43 LEU HD2 . 7320 1 497 . 1 1 43 43 LEU C C 13 175.851 0.1 . 1 . . . . 43 LEU C . 7320 1 498 . 1 1 43 43 LEU CA C 13 58.408 0.1 . 1 . . . . 43 LEU CA . 7320 1 499 . 1 1 43 43 LEU CB C 13 41.669 0.1 . 1 . . . . 43 LEU CB . 7320 1 500 . 1 1 43 43 LEU CG C 13 27.12 0.1 . 1 . . . . 43 LEU CG . 7320 1 501 . 1 1 43 43 LEU CD1 C 13 25.14 0.1 . 1 . . . . 43 LEU CD1 . 7320 1 502 . 1 1 43 43 LEU CD2 C 13 23.88 0.1 . 1 . . . . 43 LEU CD2 . 7320 1 503 . 1 1 43 43 LEU N N 15 119.136 0.1 . 1 . . . . 43 LEU N . 7320 1 504 . 1 1 44 44 LEU H H 1 8.015 0.02 . 1 . . . . 44 LEU H . 7320 1 505 . 1 1 44 44 LEU HA H 1 4.146 0.02 . 1 . . . . 44 LEU HA . 7320 1 506 . 1 1 44 44 LEU HB2 H 1 1.914 0.02 . 2 . . . . 44 LEU HB2 . 7320 1 507 . 1 1 44 44 LEU HB3 H 1 1.947 0.02 . 2 . . . . 44 LEU HB3 . 7320 1 508 . 1 1 44 44 LEU HG H 1 1.848 0.02 . 1 . . . . 44 LEU HG . 7320 1 509 . 1 1 44 44 LEU HD11 H 1 1.018 0.02 . 1 . . . . 44 LEU HD1 . 7320 1 510 . 1 1 44 44 LEU HD12 H 1 1.018 0.02 . 1 . . . . 44 LEU HD1 . 7320 1 511 . 1 1 44 44 LEU HD13 H 1 1.018 0.02 . 1 . . . . 44 LEU HD1 . 7320 1 512 . 1 1 44 44 LEU HD21 H 1 1.018 0.02 . 1 . . . . 44 LEU HD2 . 7320 1 513 . 1 1 44 44 LEU HD22 H 1 1.018 0.02 . 1 . . . . 44 LEU HD2 . 7320 1 514 . 1 1 44 44 LEU HD23 H 1 1.018 0.02 . 1 . . . . 44 LEU HD2 . 7320 1 515 . 1 1 44 44 LEU C C 13 175.67 0.1 . 1 . . . . 44 LEU C . 7320 1 516 . 1 1 44 44 LEU CA C 13 58.503 0.1 . 1 . . . . 44 LEU CA . 7320 1 517 . 1 1 44 44 LEU CB C 13 42.123 0.1 . 1 . . . . 44 LEU CB . 7320 1 518 . 1 1 44 44 LEU CG C 13 27.29 0.1 . 1 . . . . 44 LEU CG . 7320 1 519 . 1 1 44 44 LEU CD1 C 13 24.78 0.1 . 1 . . . . 44 LEU CD1 . 7320 1 520 . 1 1 44 44 LEU CD2 C 13 24.78 0.1 . 1 . . . . 44 LEU CD2 . 7320 1 521 . 1 1 44 44 LEU N N 15 120.175 0.1 . 1 . . . . 44 LEU N . 7320 1 522 . 1 1 45 45 ILE H H 1 8.506 0.02 . 1 . . . . 45 ILE H . 7320 1 523 . 1 1 45 45 ILE HA H 1 3.84 0.02 . 1 . . . . 45 ILE HA . 7320 1 524 . 1 1 45 45 ILE HB H 1 2.08 0.02 . 1 . . . . 45 ILE HB . 7320 1 525 . 1 1 45 45 ILE HG12 H 1 2.019 0.02 . 2 . . . . 45 ILE HG12 . 7320 1 526 . 1 1 45 45 ILE HG13 H 1 1.275 0.02 . 2 . . . . 45 ILE HG13 . 7320 1 527 . 1 1 45 45 ILE HG21 H 1 1.055 0.02 . 1 . . . . 45 ILE HG2 . 7320 1 528 . 1 1 45 45 ILE HG22 H 1 1.055 0.02 . 1 . . . . 45 ILE HG2 . 7320 1 529 . 1 1 45 45 ILE HG23 H 1 1.055 0.02 . 1 . . . . 45 ILE HG2 . 7320 1 530 . 1 1 45 45 ILE HD11 H 1 0.957 0.02 . 1 . . . . 45 ILE HD1 . 7320 1 531 . 1 1 45 45 ILE HD12 H 1 0.957 0.02 . 1 . . . . 45 ILE HD1 . 7320 1 532 . 1 1 45 45 ILE HD13 H 1 0.957 0.02 . 1 . . . . 45 ILE HD1 . 7320 1 533 . 1 1 45 45 ILE C C 13 175.612 0.1 . 1 . . . . 45 ILE C . 7320 1 534 . 1 1 45 45 ILE CA C 13 65.923 0.1 . 1 . . . . 45 ILE CA . 7320 1 535 . 1 1 45 45 ILE CB C 13 38.08 0.1 . 1 . . . . 45 ILE CB . 7320 1 536 . 1 1 45 45 ILE CG1 C 13 29.45 0.1 . 1 . . . . 45 ILE CG1 . 7320 1 537 . 1 1 45 45 ILE CG2 C 13 17.41 0.1 . 1 . . . . 45 ILE CG2 . 7320 1 538 . 1 1 45 45 ILE CD1 C 13 13.64 0.1 . 1 . . . . 45 ILE CD1 . 7320 1 539 . 1 1 45 45 ILE N N 15 118.517 0.1 . 1 . . . . 45 ILE N . 7320 1 540 . 1 1 46 46 GLY H H 1 8.485 0.02 . 1 . . . . 46 GLY H . 7320 1 541 . 1 1 46 46 GLY HA2 H 1 3.941 0.02 . 2 . . . . 46 GLY HA2 . 7320 1 542 . 1 1 46 46 GLY HA3 H 1 3.832 0.02 . 2 . . . . 46 GLY HA3 . 7320 1 543 . 1 1 46 46 GLY C C 13 172.008 0.1 . 1 . . . . 46 GLY C . 7320 1 544 . 1 1 46 46 GLY CA C 13 47.948 0.1 . 1 . . . . 46 GLY CA . 7320 1 545 . 1 1 46 46 GLY N N 15 106.897 0.1 . 1 . . . . 46 GLY N . 7320 1 546 . 1 1 47 47 PHE H H 1 8.633 0.02 . 1 . . . . 47 PHE H . 7320 1 547 . 1 1 47 47 PHE HA H 1 4.313 0.02 . 1 . . . . 47 PHE HA . 7320 1 548 . 1 1 47 47 PHE HB2 H 1 3.312 0.02 . 1 . . . . 47 PHE HB2 . 7320 1 549 . 1 1 47 47 PHE HB3 H 1 3.312 0.02 . 1 . . . . 47 PHE HB3 . 7320 1 550 . 1 1 47 47 PHE HD1 H 1 7.034 0.02 . 1 . . . . 47 PHE HD1 . 7320 1 551 . 1 1 47 47 PHE HD2 H 1 7.034 0.02 . 1 . . . . 47 PHE HD2 . 7320 1 552 . 1 1 47 47 PHE HE1 H 1 7.242 0.02 . 1 . . . . 47 PHE HE1 . 7320 1 553 . 1 1 47 47 PHE HE2 H 1 7.242 0.02 . 1 . . . . 47 PHE HE2 . 7320 1 554 . 1 1 47 47 PHE HZ H 1 7.034 0.02 . 1 . . . . 47 PHE HZ . 7320 1 555 . 1 1 47 47 PHE C C 13 174.273 0.1 . 1 . . . . 47 PHE C . 7320 1 556 . 1 1 47 47 PHE CA C 13 61.747 0.1 . 1 . . . . 47 PHE CA . 7320 1 557 . 1 1 47 47 PHE CB C 13 39.16 0.1 . 1 . . . . 47 PHE CB . 7320 1 558 . 1 1 47 47 PHE CD1 C 13 131.55 0.1 . 1 . . . . 47 PHE CD1 . 7320 1 559 . 1 1 47 47 PHE CD2 C 13 131.55 0.1 . 1 . . . . 47 PHE CD2 . 7320 1 560 . 1 1 47 47 PHE CE1 C 13 131.01 0.1 . 1 . . . . 47 PHE CE1 . 7320 1 561 . 1 1 47 47 PHE CE2 C 13 131.01 0.1 . 1 . . . . 47 PHE CE2 . 7320 1 562 . 1 1 47 47 PHE CZ C 13 130.075 0.1 . 1 . . . . 47 PHE CZ . 7320 1 563 . 1 1 47 47 PHE N N 15 122.021 0.1 . 1 . . . . 47 PHE N . 7320 1 564 . 1 1 48 48 PHE H H 1 8.677 0.02 . 1 . . . . 48 PHE H . 7320 1 565 . 1 1 48 48 PHE HA H 1 4.225 0.02 . 1 . . . . 48 PHE HA . 7320 1 566 . 1 1 48 48 PHE HB2 H 1 3.35 0.02 . 1 . . . . 48 PHE HB2 . 7320 1 567 . 1 1 48 48 PHE HB3 H 1 3.35 0.02 . 1 . . . . 48 PHE HB3 . 7320 1 568 . 1 1 48 48 PHE HD1 H 1 7.436 0.02 . 1 . . . . 48 PHE HD1 . 7320 1 569 . 1 1 48 48 PHE HD2 H 1 7.436 0.02 . 1 . . . . 48 PHE HD2 . 7320 1 570 . 1 1 48 48 PHE HE1 H 1 7.375 0.02 . 1 . . . . 48 PHE HE1 . 7320 1 571 . 1 1 48 48 PHE HE2 H 1 7.375 0.02 . 1 . . . . 48 PHE HE2 . 7320 1 572 . 1 1 48 48 PHE C C 13 175.565 0.1 . 1 . . . . 48 PHE C . 7320 1 573 . 1 1 48 48 PHE CA C 13 61.638 0.1 . 1 . . . . 48 PHE CA . 7320 1 574 . 1 1 48 48 PHE CB C 13 38.835 0.1 . 1 . . . . 48 PHE CB . 7320 1 575 . 1 1 48 48 PHE CD1 C 13 131.153 0.1 . 1 . . . . 48 PHE CD1 . 7320 1 576 . 1 1 48 48 PHE CD2 C 13 131.153 0.1 . 1 . . . . 48 PHE CD2 . 7320 1 577 . 1 1 48 48 PHE CE1 C 13 129.356 0.1 . 1 . . . . 48 PHE CE1 . 7320 1 578 . 1 1 48 48 PHE CE2 C 13 129.356 0.1 . 1 . . . . 48 PHE CE2 . 7320 1 579 . 1 1 48 48 PHE N N 15 117.875 0.1 . 1 . . . . 48 PHE N . 7320 1 580 . 1 1 49 49 ARG H H 1 8.542 0.02 . 1 . . . . 49 ARG H . 7320 1 581 . 1 1 49 49 ARG HA H 1 4.13 0.02 . 1 . . . . 49 ARG HA . 7320 1 582 . 1 1 49 49 ARG HB2 H 1 2.214 0.02 . 2 . . . . 49 ARG HB2 . 7320 1 583 . 1 1 49 49 ARG HB3 H 1 2.055 0.02 . 2 . . . . 49 ARG HB3 . 7320 1 584 . 1 1 49 49 ARG HG2 H 1 1.811 0.02 . 1 . . . . 49 ARG HG2 . 7320 1 585 . 1 1 49 49 ARG HG3 H 1 1.811 0.02 . 1 . . . . 49 ARG HG3 . 7320 1 586 . 1 1 49 49 ARG HD2 H 1 3.324 0.02 . 1 . . . . 49 ARG HD2 . 7320 1 587 . 1 1 49 49 ARG HD3 H 1 3.324 0.02 . 1 . . . . 49 ARG HD3 . 7320 1 588 . 1 1 49 49 ARG HE H 1 7.565 0.02 . 1 . . . . 49 ARG HE . 7320 1 589 . 1 1 49 49 ARG C C 13 175.182 0.1 . 1 . . . . 49 ARG C . 7320 1 590 . 1 1 49 49 ARG CA C 13 59.813 0.1 . 1 . . . . 49 ARG CA . 7320 1 591 . 1 1 49 49 ARG CB C 13 30.347 0.1 . 1 . . . . 49 ARG CB . 7320 1 592 . 1 1 49 49 ARG CG C 13 28.55 0.1 . 1 . . . . 49 ARG CG . 7320 1 593 . 1 1 49 49 ARG CD C 13 43.65 0.1 . 1 . . . . 49 ARG CD . 7320 1 594 . 1 1 49 49 ARG N N 15 118.599 0.1 . 1 . . . . 49 ARG N . 7320 1 595 . 1 1 49 49 ARG NE N 15 83.529 0.1 . 1 . . . . 49 ARG NE . 7320 1 596 . 1 1 50 50 VAL H H 1 8.071 0.02 . 1 . . . . 50 VAL H . 7320 1 597 . 1 1 50 50 VAL HA H 1 3.752 0.02 . 1 . . . . 50 VAL HA . 7320 1 598 . 1 1 50 50 VAL HB H 1 2.3 0.02 . 1 . . . . 50 VAL HB . 7320 1 599 . 1 1 50 50 VAL HG11 H 1 1.177 0.02 . 1 . . . . 50 VAL HG1 . 7320 1 600 . 1 1 50 50 VAL HG12 H 1 1.177 0.02 . 1 . . . . 50 VAL HG1 . 7320 1 601 . 1 1 50 50 VAL HG13 H 1 1.177 0.02 . 1 . . . . 50 VAL HG1 . 7320 1 602 . 1 1 50 50 VAL HG21 H 1 1.031 0.02 . 1 . . . . 50 VAL HG2 . 7320 1 603 . 1 1 50 50 VAL HG22 H 1 1.031 0.02 . 1 . . . . 50 VAL HG2 . 7320 1 604 . 1 1 50 50 VAL HG23 H 1 1.031 0.02 . 1 . . . . 50 VAL HG2 . 7320 1 605 . 1 1 50 50 VAL C C 13 175.003 0.1 . 1 . . . . 50 VAL C . 7320 1 606 . 1 1 50 50 VAL CA C 13 66.865 0.1 . 1 . . . . 50 VAL CA . 7320 1 607 . 1 1 50 50 VAL CB C 13 31.97 0.1 . 1 . . . . 50 VAL CB . 7320 1 608 . 1 1 50 50 VAL CG1 C 13 22.98 0.1 . 1 . . . . 50 VAL CG1 . 7320 1 609 . 1 1 50 50 VAL CG2 C 13 21.54 0.1 . 1 . . . . 50 VAL CG2 . 7320 1 610 . 1 1 50 50 VAL N N 15 118.688 0.1 . 1 . . . . 50 VAL N . 7320 1 611 . 1 1 51 51 VAL H H 1 8.286 0.02 . 1 . . . . 51 VAL H . 7320 1 612 . 1 1 51 51 VAL HA H 1 3.642 0.02 . 1 . . . . 51 VAL HA . 7320 1 613 . 1 1 51 51 VAL HB H 1 1.958 0.02 . 1 . . . . 51 VAL HB . 7320 1 614 . 1 1 51 51 VAL HG11 H 1 0.909 0.02 . 1 . . . . 51 VAL HG1 . 7320 1 615 . 1 1 51 51 VAL HG12 H 1 0.909 0.02 . 1 . . . . 51 VAL HG1 . 7320 1 616 . 1 1 51 51 VAL HG13 H 1 0.909 0.02 . 1 . . . . 51 VAL HG1 . 7320 1 617 . 1 1 51 51 VAL HG21 H 1 0.701 0.02 . 1 . . . . 51 VAL HG2 . 7320 1 618 . 1 1 51 51 VAL HG22 H 1 0.701 0.02 . 1 . . . . 51 VAL HG2 . 7320 1 619 . 1 1 51 51 VAL HG23 H 1 0.701 0.02 . 1 . . . . 51 VAL HG2 . 7320 1 620 . 1 1 51 51 VAL C C 13 175.153 0.1 . 1 . . . . 51 VAL C . 7320 1 621 . 1 1 51 51 VAL CA C 13 66.476 0.1 . 1 . . . . 51 VAL CA . 7320 1 622 . 1 1 51 51 VAL CB C 13 31.61 0.1 . 1 . . . . 51 VAL CB . 7320 1 623 . 1 1 51 51 VAL CG1 C 13 21.72 0.1 . 1 . . . . 51 VAL CG1 . 7320 1 624 . 1 1 51 51 VAL CG2 C 13 22.44 0.1 . 1 . . . . 51 VAL CG2 . 7320 1 625 . 1 1 51 51 VAL N N 15 118.581 0.1 . 1 . . . . 51 VAL N . 7320 1 626 . 1 1 52 52 GLY H H 1 8.382 0.02 . 1 . . . . 52 GLY H . 7320 1 627 . 1 1 52 52 GLY HA2 H 1 3.889 0.02 . 2 . . . . 52 GLY HA2 . 7320 1 628 . 1 1 52 52 GLY HA3 H 1 3.772 0.02 . 2 . . . . 52 GLY HA3 . 7320 1 629 . 1 1 52 52 GLY C C 13 171.689 0.1 . 1 . . . . 52 GLY C . 7320 1 630 . 1 1 52 52 GLY CA C 13 47.127 0.1 . 1 . . . . 52 GLY CA . 7320 1 631 . 1 1 52 52 GLY N N 15 105.419 0.1 . 1 . . . . 52 GLY N . 7320 1 632 . 1 1 53 53 ARG H H 1 7.584 0.02 . 1 . . . . 53 ARG H . 7320 1 633 . 1 1 53 53 ARG HA H 1 4.326 0.02 . 1 . . . . 53 ARG HA . 7320 1 634 . 1 1 53 53 ARG HB2 H 1 2.068 0.02 . 1 . . . . 53 ARG HB2 . 7320 1 635 . 1 1 53 53 ARG HB3 H 1 2.068 0.02 . 1 . . . . 53 ARG HB3 . 7320 1 636 . 1 1 53 53 ARG HG2 H 1 1.909 0.02 . 2 . . . . 53 ARG HG2 . 7320 1 637 . 1 1 53 53 ARG HG3 H 1 1.848 0.02 . 2 . . . . 53 ARG HG3 . 7320 1 638 . 1 1 53 53 ARG HD2 H 1 3.324 0.02 . 2 . . . . 53 ARG HD2 . 7320 1 639 . 1 1 53 53 ARG HD3 H 1 3.288 0.02 . 2 . . . . 53 ARG HD3 . 7320 1 640 . 1 1 53 53 ARG C C 13 173.995 0.1 . 1 . . . . 53 ARG C . 7320 1 641 . 1 1 53 53 ARG CA C 13 57.494 0.1 . 1 . . . . 53 ARG CA . 7320 1 642 . 1 1 53 53 ARG CB C 13 30.35 0.1 . 1 . . . . 53 ARG CB . 7320 1 643 . 1 1 53 53 ARG CG C 13 27.83 0.1 . 1 . . . . 53 ARG CG . 7320 1 644 . 1 1 53 53 ARG CD C 13 43.45 0.1 . 1 . . . . 53 ARG CD . 7320 1 645 . 1 1 53 53 ARG N N 15 116.925 0.1 . 1 . . . . 53 ARG N . 7320 1 646 . 1 1 54 54 MET H H 1 8.022 0.02 . 1 . . . . 54 MET H . 7320 1 647 . 1 1 54 54 MET HA H 1 4.539 0.02 . 1 . . . . 54 MET HA . 7320 1 648 . 1 1 54 54 MET HB2 H 1 2.263 0.02 . 1 . . . . 54 MET HB2 . 7320 1 649 . 1 1 54 54 MET HB3 H 1 2.263 0.02 . 1 . . . . 54 MET HB3 . 7320 1 650 . 1 1 54 54 MET HG2 H 1 2.8 0.02 . 2 . . . . 54 MET HG2 . 7320 1 651 . 1 1 54 54 MET HG3 H 1 2.666 0.02 . 2 . . . . 54 MET HG3 . 7320 1 652 . 1 1 54 54 MET HE1 H 1 1.677 0.02 . 1 . . . . 54 MET HE . 7320 1 653 . 1 1 54 54 MET HE2 H 1 1.677 0.02 . 1 . . . . 54 MET HE . 7320 1 654 . 1 1 54 54 MET HE3 H 1 1.677 0.02 . 1 . . . . 54 MET HE . 7320 1 655 . 1 1 54 54 MET C C 13 174.16 0.1 . 1 . . . . 54 MET C . 7320 1 656 . 1 1 54 54 MET CA C 13 56.442 0.1 . 1 . . . . 54 MET CA . 7320 1 657 . 1 1 54 54 MET CB C 13 33.227 0.1 . 1 . . . . 54 MET CB . 7320 1 658 . 1 1 54 54 MET CG C 13 32.86 0.1 . 1 . . . . 54 MET CG . 7320 1 659 . 1 1 54 54 MET CE C 13 18.31 0.1 . 1 . . . . 54 MET CE . 7320 1 660 . 1 1 54 54 MET N N 15 115.356 0.1 . 1 . . . . 54 MET N . 7320 1 661 . 1 1 55 55 LEU H H 1 8.016 0.02 . 1 . . . . 55 LEU H . 7320 1 662 . 1 1 55 55 LEU HA H 1 4.52 0.02 . 1 . . . . 55 LEU HA . 7320 1 663 . 1 1 55 55 LEU HB2 H 1 1.909 0.02 . 2 . . . . 55 LEU HB2 . 7320 1 664 . 1 1 55 55 LEU HB3 H 1 1.725 0.02 . 2 . . . . 55 LEU HB3 . 7320 1 665 . 1 1 55 55 LEU HG H 1 1.897 0.02 . 1 . . . . 55 LEU HG . 7320 1 666 . 1 1 55 55 LEU HD11 H 1 1.067 0.02 . 1 . . . . 55 LEU HD1 . 7320 1 667 . 1 1 55 55 LEU HD12 H 1 1.067 0.02 . 1 . . . . 55 LEU HD1 . 7320 1 668 . 1 1 55 55 LEU HD13 H 1 1.067 0.02 . 1 . . . . 55 LEU HD1 . 7320 1 669 . 1 1 55 55 LEU HD21 H 1 1.067 0.02 . 1 . . . . 55 LEU HD2 . 7320 1 670 . 1 1 55 55 LEU HD22 H 1 1.067 0.02 . 1 . . . . 55 LEU HD2 . 7320 1 671 . 1 1 55 55 LEU HD23 H 1 1.067 0.02 . 1 . . . . 55 LEU HD2 . 7320 1 672 . 1 1 55 55 LEU C C 13 172.389 0.1 . 1 . . . . 55 LEU C . 7320 1 673 . 1 1 55 55 LEU CA C 13 57.301 0.1 . 1 . . . . 55 LEU CA . 7320 1 674 . 1 1 55 55 LEU CB C 13 40.95 0.1 . 1 . . . . 55 LEU CB . 7320 1 675 . 1 1 55 55 LEU CG C 13 27.294 0.1 . 1 . . . . 55 LEU CG . 7320 1 676 . 1 1 55 55 LEU CD1 C 13 25.138 0.1 . 1 . . . . 55 LEU CD1 . 7320 1 677 . 1 1 55 55 LEU CD2 C 13 25.138 0.1 . 1 . . . . 55 LEU CD2 . 7320 1 678 . 1 1 55 55 LEU N N 15 120.278 0.1 . 1 . . . . 55 LEU N . 7320 1 679 . 1 1 56 56 PRO HA H 1 4.496 0.02 . 1 . . . . 56 PRO HA . 7320 1 680 . 1 1 56 56 PRO HB2 H 1 2.336 0.02 . 2 . . . . 56 PRO HB2 . 7320 1 681 . 1 1 56 56 PRO HB3 H 1 2.019 0.02 . 2 . . . . 56 PRO HB3 . 7320 1 682 . 1 1 56 56 PRO HG2 H 1 2.226 0.02 . 2 . . . . 56 PRO HG2 . 7320 1 683 . 1 1 56 56 PRO HG3 H 1 2.08 0.02 . 2 . . . . 56 PRO HG3 . 7320 1 684 . 1 1 56 56 PRO HD2 H 1 3.836 0.02 . 2 . . . . 56 PRO HD2 . 7320 1 685 . 1 1 56 56 PRO HD3 H 1 3.767 0.02 . 2 . . . . 56 PRO HD3 . 7320 1 686 . 1 1 56 56 PRO C C 13 174.167 0.1 . 1 . . . . 56 PRO C . 7320 1 687 . 1 1 56 56 PRO CA C 13 65.208 0.1 . 1 . . . . 56 PRO CA . 7320 1 688 . 1 1 56 56 PRO CB C 13 31.25 0.1 . 1 . . . . 56 PRO CB . 7320 1 689 . 1 1 56 56 PRO CG C 13 28.37 0.1 . 1 . . . . 56 PRO CG . 7320 1 690 . 1 1 56 56 PRO CD C 13 50.29 0.1 . 1 . . . . 56 PRO CD . 7320 1 691 . 1 1 57 57 ILE H H 1 7.406 0.02 . 1 . . . . 57 ILE H . 7320 1 692 . 1 1 57 57 ILE HA H 1 4.069 0.02 . 1 . . . . 57 ILE HA . 7320 1 693 . 1 1 57 57 ILE HB H 1 2.141 0.02 . 1 . . . . 57 ILE HB . 7320 1 694 . 1 1 57 57 ILE HG12 H 1 1.737 0.02 . 2 . . . . 57 ILE HG12 . 7320 1 695 . 1 1 57 57 ILE HG13 H 1 1.316 0.02 . 2 . . . . 57 ILE HG13 . 7320 1 696 . 1 1 57 57 ILE HG21 H 1 1.04 0.02 . 1 . . . . 57 ILE HG2 . 7320 1 697 . 1 1 57 57 ILE HG22 H 1 1.04 0.02 . 1 . . . . 57 ILE HG2 . 7320 1 698 . 1 1 57 57 ILE HG23 H 1 1.04 0.02 . 1 . . . . 57 ILE HG2 . 7320 1 699 . 1 1 57 57 ILE HD11 H 1 1.029 0.02 . 1 . . . . 57 ILE HD1 . 7320 1 700 . 1 1 57 57 ILE HD12 H 1 1.029 0.02 . 1 . . . . 57 ILE HD1 . 7320 1 701 . 1 1 57 57 ILE HD13 H 1 1.029 0.02 . 1 . . . . 57 ILE HD1 . 7320 1 702 . 1 1 57 57 ILE C C 13 174.202 0.1 . 1 . . . . 57 ILE C . 7320 1 703 . 1 1 57 57 ILE CA C 13 63.231 0.1 . 1 . . . . 57 ILE CA . 7320 1 704 . 1 1 57 57 ILE CB C 13 38.43 0.1 . 1 . . . . 57 ILE CB . 7320 1 705 . 1 1 57 57 ILE CG1 C 13 28.5 0.1 . 1 . . . . 57 ILE CG1 . 7320 1 706 . 1 1 57 57 ILE CG2 C 13 17.59 0.1 . 1 . . . . 57 ILE CG2 . 7320 1 707 . 1 1 57 57 ILE CD1 C 13 13.28 0.1 . 1 . . . . 57 ILE CD1 . 7320 1 708 . 1 1 57 57 ILE N N 15 115.521 0.1 . 1 . . . . 57 ILE N . 7320 1 709 . 1 1 58 58 GLN H H 1 8.243 0.02 . 1 . . . . 58 GLN H . 7320 1 710 . 1 1 58 58 GLN HA H 1 4.227 0.02 . 1 . . . . 58 GLN HA . 7320 1 711 . 1 1 58 58 GLN HB2 H 1 2.251 0.02 . 1 . . . . 58 GLN HB2 . 7320 1 712 . 1 1 58 58 GLN HB3 H 1 2.251 0.02 . 1 . . . . 58 GLN HB3 . 7320 1 713 . 1 1 58 58 GLN HG2 H 1 2.467 0.02 . 1 . . . . 58 GLN HG2 . 7320 1 714 . 1 1 58 58 GLN HG3 H 1 2.467 0.02 . 1 . . . . 58 GLN HG3 . 7320 1 715 . 1 1 58 58 GLN HE21 H 1 7.492 0.02 . 2 . . . . 58 GLN HE21 . 7320 1 716 . 1 1 58 58 GLN HE22 H 1 6.601 0.02 . 2 . . . . 58 GLN HE22 . 7320 1 717 . 1 1 58 58 GLN C C 13 174.419 0.1 . 1 . . . . 58 GLN C . 7320 1 718 . 1 1 58 58 GLN CA C 13 58.389 0.1 . 1 . . . . 58 GLN CA . 7320 1 719 . 1 1 58 58 GLN CB C 13 29.27 0.1 . 1 . . . . 58 GLN CB . 7320 1 720 . 1 1 58 58 GLN CG C 13 34.3 0.1 . 1 . . . . 58 GLN CG . 7320 1 721 . 1 1 58 58 GLN N N 15 119.786 0.1 . 1 . . . . 58 GLN N . 7320 1 722 . 1 1 58 58 GLN NE2 N 15 107.599 0.1 . 1 . . . . 58 GLN NE2 . 7320 1 723 . 1 1 59 59 GLU H H 1 8.346 0.02 . 1 . . . . 59 GLU H . 7320 1 724 . 1 1 59 59 GLU HA H 1 4.252 0.02 . 1 . . . . 59 GLU HA . 7320 1 725 . 1 1 59 59 GLU HB2 H 1 2.239 0.02 . 2 . . . . 59 GLU HB2 . 7320 1 726 . 1 1 59 59 GLU HB3 H 1 2.153 0.02 . 2 . . . . 59 GLU HB3 . 7320 1 727 . 1 1 59 59 GLU HG2 H 1 2.617 0.02 . 2 . . . . 59 GLU HG2 . 7320 1 728 . 1 1 59 59 GLU HG3 H 1 2.544 0.02 . 2 . . . . 59 GLU HG3 . 7320 1 729 . 1 1 59 59 GLU C C 13 172.916 0.1 . 1 . . . . 59 GLU C . 7320 1 730 . 1 1 59 59 GLU CA C 13 57.66 0.1 . 1 . . . . 59 GLU CA . 7320 1 731 . 1 1 59 59 GLU CB C 13 28.73 0.1 . 1 . . . . 59 GLU CB . 7320 1 732 . 1 1 59 59 GLU CG C 13 33.22 0.1 . 1 . . . . 59 GLU CG . 7320 1 733 . 1 1 59 59 GLU N N 15 116.135 0.1 . 1 . . . . 59 GLU N . 7320 1 734 . 1 1 60 60 ASN H H 1 7.777 0.02 . 1 . . . . 60 ASN H . 7320 1 735 . 1 1 60 60 ASN HA H 1 4.771 0.02 . 1 . . . . 60 ASN HA . 7320 1 736 . 1 1 60 60 ASN HB2 H 1 2.891 0.02 . 2 . . . . 60 ASN HB2 . 7320 1 737 . 1 1 60 60 ASN HB3 H 1 2.946 0.02 . 2 . . . . 60 ASN HB3 . 7320 1 738 . 1 1 60 60 ASN HD21 H 1 7.687 0.02 . 2 . . . . 60 ASN HD21 . 7320 1 739 . 1 1 60 60 ASN HD22 H 1 6.773 0.02 . 2 . . . . 60 ASN HD22 . 7320 1 740 . 1 1 60 60 ASN C C 13 171.804 0.1 . 1 . . . . 60 ASN C . 7320 1 741 . 1 1 60 60 ASN CA C 13 54.249 0.1 . 1 . . . . 60 ASN CA . 7320 1 742 . 1 1 60 60 ASN CB C 13 39.15 0.1 . 1 . . . . 60 ASN CB . 7320 1 743 . 1 1 60 60 ASN N N 15 115.205 0.1 . 1 . . . . 60 ASN N . 7320 1 744 . 1 1 60 60 ASN ND2 N 15 109.427 0.1 . 1 . . . . 60 ASN ND2 . 7320 1 745 . 1 1 61 61 GLN H H 1 7.881 0.02 . 1 . . . . 61 GLN H . 7320 1 746 . 1 1 61 61 GLN HA H 1 4.423 0.02 . 1 . . . . 61 GLN HA . 7320 1 747 . 1 1 61 61 GLN HB2 H 1 2.3 0.02 . 2 . . . . 61 GLN HB2 . 7320 1 748 . 1 1 61 61 GLN HB3 H 1 2.141 0.02 . 2 . . . . 61 GLN HB3 . 7320 1 749 . 1 1 61 61 GLN HG2 H 1 2.467 0.02 . 1 . . . . 61 GLN HG2 . 7320 1 750 . 1 1 61 61 GLN HG3 H 1 2.467 0.02 . 1 . . . . 61 GLN HG3 . 7320 1 751 . 1 1 61 61 GLN HE21 H 1 6.565 0.02 . 2 . . . . 61 GLN HE21 . 7320 1 752 . 1 1 61 61 GLN HE22 H 1 7.492 0.02 . 2 . . . . 61 GLN HE22 . 7320 1 753 . 1 1 61 61 GLN C C 13 172.228 0.1 . 1 . . . . 61 GLN C . 7320 1 754 . 1 1 61 61 GLN CA C 13 55.863 0.1 . 1 . . . . 61 GLN CA . 7320 1 755 . 1 1 61 61 GLN CB C 13 29.99 0.1 . 1 . . . . 61 GLN CB . 7320 1 756 . 1 1 61 61 GLN CG C 13 34.3 0.1 . 1 . . . . 61 GLN CG . 7320 1 757 . 1 1 61 61 GLN N N 15 116.435 0.1 . 1 . . . . 61 GLN N . 7320 1 758 . 1 1 61 61 GLN NE2 N 15 108.208 0.1 . 1 . . . . 61 GLN NE2 . 7320 1 759 . 1 1 62 62 ALA H H 1 7.955 0.02 . 1 . . . . 62 ALA H . 7320 1 760 . 1 1 62 62 ALA HA H 1 4.679 0.02 . 1 . . . . 62 ALA HA . 7320 1 761 . 1 1 62 62 ALA HB1 H 1 1.482 0.02 . 1 . . . . 62 ALA HB . 7320 1 762 . 1 1 62 62 ALA HB2 H 1 1.482 0.02 . 1 . . . . 62 ALA HB . 7320 1 763 . 1 1 62 62 ALA HB3 H 1 1.482 0.02 . 1 . . . . 62 ALA HB . 7320 1 764 . 1 1 62 62 ALA C C 13 171.647 0.1 . 1 . . . . 62 ALA C . 7320 1 765 . 1 1 62 62 ALA CA C 13 50.65 0.1 . 1 . . . . 62 ALA CA . 7320 1 766 . 1 1 62 62 ALA CB C 13 18.656 0.1 . 1 . . . . 62 ALA CB . 7320 1 767 . 1 1 62 62 ALA N N 15 121.919 0.1 . 1 . . . . 62 ALA N . 7320 1 768 . 1 1 63 63 PRO HA H 1 4.557 0.02 . 1 . . . . 63 PRO HA . 7320 1 769 . 1 1 63 63 PRO HB2 H 1 2.3 0.02 . 2 . . . . 63 PRO HB2 . 7320 1 770 . 1 1 63 63 PRO HB3 H 1 2.08 0.02 . 2 . . . . 63 PRO HB3 . 7320 1 771 . 1 1 63 63 PRO HG2 H 1 2.109 0.02 . 1 . . . . 63 PRO HG2 . 7320 1 772 . 1 1 63 63 PRO HG3 H 1 2.109 0.02 . 1 . . . . 63 PRO HG3 . 7320 1 773 . 1 1 63 63 PRO HD2 H 1 3.837 0.02 . 2 . . . . 63 PRO HD2 . 7320 1 774 . 1 1 63 63 PRO HD3 H 1 3.703 0.02 . 2 . . . . 63 PRO HD3 . 7320 1 775 . 1 1 63 63 PRO C C 13 172.069 0.1 . 1 . . . . 63 PRO C . 7320 1 776 . 1 1 63 63 PRO CA C 13 63.051 0.1 . 1 . . . . 63 PRO CA . 7320 1 777 . 1 1 63 63 PRO CB C 13 31.605 0.1 . 1 . . . . 63 PRO CB . 7320 1 778 . 1 1 63 63 PRO CG C 13 27.65 0.1 . 1 . . . . 63 PRO CG . 7320 1 779 . 1 1 63 63 PRO CD C 13 50.115 0.1 . 1 . . . . 63 PRO CD . 7320 1 780 . 1 1 64 64 ALA H H 1 8.077 0.02 . 1 . . . . 64 ALA H . 7320 1 781 . 1 1 64 64 ALA HA H 1 4.679 0.02 . 1 . . . . 64 ALA HA . 7320 1 782 . 1 1 64 64 ALA HB1 H 1 1.494 0.02 . 1 . . . . 64 ALA HB . 7320 1 783 . 1 1 64 64 ALA HB2 H 1 1.494 0.02 . 1 . . . . 64 ALA HB . 7320 1 784 . 1 1 64 64 ALA HB3 H 1 1.494 0.02 . 1 . . . . 64 ALA HB . 7320 1 785 . 1 1 64 64 ALA C C 13 171.916 0.1 . 1 . . . . 64 ALA C . 7320 1 786 . 1 1 64 64 ALA CA C 13 50.127 0.1 . 1 . . . . 64 ALA CA . 7320 1 787 . 1 1 64 64 ALA CB C 13 18.779 0.1 . 1 . . . . 64 ALA CB . 7320 1 788 . 1 1 64 64 ALA N N 15 121.767 0.1 . 1 . . . . 64 ALA N . 7320 1 789 . 1 1 65 65 PRO HA H 1 4.508 0.02 . 1 . . . . 65 PRO HA . 7320 1 790 . 1 1 65 65 PRO HB2 H 1 2.08 0.02 . 1 . . . . 65 PRO HB2 . 7320 1 791 . 1 1 65 65 PRO HB3 H 1 2.08 0.02 . 1 . . . . 65 PRO HB3 . 7320 1 792 . 1 1 65 65 PRO HG2 H 1 2.336 0.02 . 1 . . . . 65 PRO HG2 . 7320 1 793 . 1 1 65 65 PRO HG3 H 1 2.336 0.02 . 1 . . . . 65 PRO HG3 . 7320 1 794 . 1 1 65 65 PRO HD2 H 1 3.882 0.02 . 2 . . . . 65 PRO HD2 . 7320 1 795 . 1 1 65 65 PRO HD3 H 1 3.754 0.02 . 2 . . . . 65 PRO HD3 . 7320 1 796 . 1 1 65 65 PRO C C 13 172.547 0.1 . 1 . . . . 65 PRO C . 7320 1 797 . 1 1 65 65 PRO CA C 13 63.41 0.1 . 1 . . . . 65 PRO CA . 7320 1 798 . 1 1 65 65 PRO CB C 13 31.425 0.1 . 1 . . . . 65 PRO CB . 7320 1 799 . 1 1 65 65 PRO CG C 13 28.37 0.1 . 1 . . . . 65 PRO CG . 7320 1 800 . 1 1 65 65 PRO CD C 13 50.115 0.1 . 1 . . . . 65 PRO CD . 7320 1 801 . 1 1 66 66 ASN H H 1 8.321 0.02 . 1 . . . . 66 ASN H . 7320 1 802 . 1 1 66 66 ASN HA H 1 4.776 0.02 . 1 . . . . 66 ASN HA . 7320 1 803 . 1 1 66 66 ASN HB2 H 1 2.897 0.02 . 1 . . . . 66 ASN HB2 . 7320 1 804 . 1 1 66 66 ASN HB3 H 1 2.897 0.02 . 1 . . . . 66 ASN HB3 . 7320 1 805 . 1 1 66 66 ASN HD21 H 1 6.857 0.02 . 2 . . . . 66 ASN HD21 . 7320 1 806 . 1 1 66 66 ASN HD22 H 1 7.712 0.02 . 2 . . . . 66 ASN HD22 . 7320 1 807 . 1 1 66 66 ASN C C 13 171.96 0.1 . 1 . . . . 66 ASN C . 7320 1 808 . 1 1 66 66 ASN CA C 13 53.347 0.1 . 1 . . . . 66 ASN CA . 7320 1 809 . 1 1 66 66 ASN CB C 13 38.973 0.1 . 1 . . . . 66 ASN CB . 7320 1 810 . 1 1 66 66 ASN N N 15 116.283 0.1 . 1 . . . . 66 ASN N . 7320 1 811 . 1 1 66 66 ASN ND2 N 15 109.275 0.1 . 1 . . . . 66 ASN ND2 . 7320 1 812 . 1 1 67 67 ILE H H 1 8.126 0.02 . 1 . . . . 67 ILE H . 7320 1 813 . 1 1 67 67 ILE HA H 1 4.337 0.02 . 1 . . . . 67 ILE HA . 7320 1 814 . 1 1 67 67 ILE HB H 1 2.153 0.02 . 1 . . . . 67 ILE HB . 7320 1 815 . 1 1 67 67 ILE C C 13 172.13 0.1 . 1 . . . . 67 ILE C . 7320 1 816 . 1 1 67 67 ILE CA C 13 61.973 0.1 . 1 . . . . 67 ILE CA . 7320 1 817 . 1 1 67 67 ILE CB C 13 38.793 0.1 . 1 . . . . 67 ILE CB . 7320 1 818 . 1 1 67 67 ILE N N 15 117.506 0.1 . 1 . . . . 67 ILE N . 7320 1 819 . 1 1 68 68 THR H H 1 7.964 0.02 . 1 . . . . 68 THR H . 7320 1 820 . 1 1 68 68 THR HA H 1 4.41 0.02 . 1 . . . . 68 THR HA . 7320 1 821 . 1 1 68 68 THR HB H 1 4.447 0.02 . 1 . . . . 68 THR HB . 7320 1 822 . 1 1 68 68 THR HG21 H 1 1.31 0.02 . 1 . . . . 68 THR HG2 . 7320 1 823 . 1 1 68 68 THR HG22 H 1 1.31 0.02 . 1 . . . . 68 THR HG2 . 7320 1 824 . 1 1 68 68 THR HG23 H 1 1.31 0.02 . 1 . . . . 68 THR HG2 . 7320 1 825 . 1 1 68 68 THR C C 13 171.441 0.1 . 1 . . . . 68 THR C . 7320 1 826 . 1 1 68 68 THR CA C 13 61.611 0.1 . 1 . . . . 68 THR CA . 7320 1 827 . 1 1 68 68 THR CB C 13 69.631 0.1 . 1 . . . . 68 THR CB . 7320 1 828 . 1 1 68 68 THR CG2 C 13 21.903 0.1 . 1 . . . . 68 THR CG2 . 7320 1 829 . 1 1 68 68 THR N N 15 110.958 0.1 . 1 . . . . 68 THR N . 7320 1 830 . 1 1 69 69 GLY H H 1 7.955 0.02 . 1 . . . . 69 GLY H . 7320 1 831 . 1 1 69 69 GLY HA2 H 1 3.968 0.02 . 2 . . . . 69 GLY HA2 . 7320 1 832 . 1 1 69 69 GLY HA3 H 1 4.147 0.02 . 2 . . . . 69 GLY HA3 . 7320 1 833 . 1 1 69 69 GLY C C 13 171.79 0.1 . 1 . . . . 69 GLY C . 7320 1 834 . 1 1 69 69 GLY CA C 13 43.886 0.1 . 1 . . . . 69 GLY CA . 7320 1 835 . 1 1 69 69 GLY N N 15 108.513 0.1 . 1 . . . . 69 GLY N . 7320 1 836 . 1 1 73 73 THR H H 1 7.785 0.02 . 1 . . . . 73 THR H . 7320 1 837 . 1 1 73 73 THR HA H 1 4.404 0.02 . 1 . . . . 73 THR HA . 7320 1 838 . 1 1 73 73 THR HB H 1 4.447 0.02 . 1 . . . . 73 THR HB . 7320 1 839 . 1 1 73 73 THR HG21 H 1 1.299 0.02 . 1 . . . . 73 THR HG2 . 7320 1 840 . 1 1 73 73 THR HG22 H 1 1.299 0.02 . 1 . . . . 73 THR HG2 . 7320 1 841 . 1 1 73 73 THR HG23 H 1 1.299 0.02 . 1 . . . . 73 THR HG2 . 7320 1 842 . 1 1 73 73 THR C C 13 172.048 0.1 . 1 . . . . 73 THR C . 7320 1 843 . 1 1 73 73 THR CA C 13 61.94 0.1 . 1 . . . . 73 THR CA . 7320 1 844 . 1 1 73 73 THR CB C 13 69.7 0.1 . 1 . . . . 73 THR CB . 7320 1 845 . 1 1 73 73 THR CG2 C 13 21.903 0.1 . 1 . . . . 73 THR CG2 . 7320 1 846 . 1 1 73 73 THR N N 15 110.341 0.1 . 1 . . . . 73 THR N . 7320 1 847 . 1 1 74 74 GLY H H 1 8.076 0.02 . 1 . . . . 74 GLY H . 7320 1 848 . 1 1 74 74 GLY HA2 H 1 3.951 0.02 . 1 . . . . 74 GLY HA2 . 7320 1 849 . 1 1 74 74 GLY HA3 H 1 3.951 0.02 . 1 . . . . 74 GLY HA3 . 7320 1 850 . 1 1 74 74 GLY C C 13 180.639 0.1 . 1 . . . . 74 GLY C . 7320 1 851 . 1 1 74 74 GLY CA C 13 45.313 0.1 . 1 . . . . 74 GLY CA . 7320 1 852 . 1 1 74 74 GLY N N 15 107.764 0.1 . 1 . . . . 74 GLY N . 7320 1 853 . 1 1 75 75 ILE H H 1 8.577 0.02 . 1 . . . . 75 ILE H . 7320 1 854 . 1 1 75 75 ILE C C 13 170.838 0.1 . 1 . . . . 75 ILE C . 7320 1 855 . 1 1 75 75 ILE N N 15 120.544 0.1 . 1 . . . . 75 ILE N . 7320 1 stop_ save_