data_6212 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6212 _Entry.Title ; Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-05-24 _Entry.Accession_date 2004-05-24 _Entry.Last_release_date 2004-09-07 _Entry.Original_release_date 2004-09-07 _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 Rodrigo Carbajo . J. . 6212 2 Jocelyn Silvester . A. . 6212 3 Michael Runswick . J. . 6212 4 John Walker . E. . 6212 5 David Neuhaus . . . 6212 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6212 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 554 6212 '13C chemical shifts' 274 6212 '15N chemical shifts' 78 6212 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 . . 2004-09-07 2004-05-24 original author . 6212 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6212 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15327958 _Citation.Full_citation . _Citation.Title ; Solution structure of subunit f(6) from the peripheral stalk region of ATP synthase from bovine heart mitochondria ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 342 _Citation.Journal_issue 2 _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 593 _Citation.Page_last 603 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rodrigo Carbajo . J. . 6212 1 2 Jocelyn Silvester . A. . 6212 1 3 Michael Runswick . J. . 6212 1 4 John Walker . E. . 6212 1 5 David Neuhaus . . . 6212 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ATP synthase' 6212 1 'peripheral stalk' 6212 1 'F6 subunit' 6212 1 NMR 6212 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_F6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_F6 _Assembly.Entry_ID 6212 _Assembly.ID 1 _Assembly.Name 'F6 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _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 6212 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 'F6 monomer' 1 $F6_monomer . . . native . . . . . 6212 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'F6 monomer' system 6212 1 F6 abbreviation 6212 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F6_monomer _Entity.Sf_category entity _Entity.Sf_framecode F6_monomer _Entity.Entry_ID 6212 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bovine coupling factor 6' _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 ; NKELDPVQKLFVDKIREYRT KRQTSGGPVDAGPEYQQDLD RELFKLKQMYGKADMNTFPN FTFEDPKFEVVEKPQS ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1VZS . "Solution Structure Of Subunit F6 From The Peripheral Stalk Region Of Atp Synthase From Bovine Heart Mitochondria" . . . . . 100.00 76 100.00 100.00 1.09e-46 . . . . 6212 1 2 no PDB 2CLY . "Subcomplex Of The Stator Of Bovine Mitochondrial Atp Synthase" . . . . . 100.00 77 100.00 100.00 1.21e-46 . . . . 6212 1 3 no PDB 2WSS . "The Structure Of The Membrane Extrinsic Region Of Bovine Atp Synthase" . . . . . 100.00 76 97.37 97.37 1.50e-44 . . . . 6212 1 4 no PDB 4B2Q . "Model Of The Yeast F1fo-atp Synthase Dimer Based On Subtomogram Average" . . . . . 86.84 66 100.00 100.00 1.84e-39 . . . . 6212 1 5 no GB AAA30511 . "factor 6 precursor [Bos taurus]" . . . . . 100.00 108 100.00 100.00 1.38e-47 . . . . 6212 1 6 no GB AAI03430 . "ATP synthase, H+ transporting, mitochondrial F0 complex, subunit F6 [Bos taurus]" . . . . . 100.00 108 100.00 100.00 1.38e-47 . . . . 6212 1 7 no GB AAW79005 . "GekBS159P [Gekko japonicus]" . . . . . 100.00 108 98.68 98.68 9.63e-47 . . . . 6212 1 8 no GB ELR54329 . "ATP synthase-coupling factor 6, mitochondrial [Bos mutus]" . . . . . 100.00 108 100.00 100.00 1.38e-47 . . . . 6212 1 9 no REF NP_777142 . "ATP synthase-coupling factor 6, mitochondrial precursor [Bos taurus]" . . . . . 100.00 108 100.00 100.00 1.38e-47 . . . . 6212 1 10 no REF XP_003361573 . "PREDICTED: ATP synthase-coupling factor 6, mitochondrial-like isoformX1 [Sus scrofa]" . . . . . 100.00 108 98.68 98.68 6.10e-47 . . . . 6212 1 11 no REF XP_003361574 . "PREDICTED: ATP synthase-coupling factor 6, mitochondrial-like isoformX2 [Sus scrofa]" . . . . . 100.00 116 98.68 98.68 9.10e-47 . . . . 6212 1 12 no REF XP_004002856 . "PREDICTED: ATP synthase-coupling factor 6, mitochondrial isoform 1 [Ovis aries]" . . . . . 100.00 108 100.00 100.00 1.47e-47 . . . . 6212 1 13 no REF XP_004002857 . "PREDICTED: ATP synthase-coupling factor 6, mitochondrial isoform 2 [Ovis aries]" . . . . . 100.00 108 100.00 100.00 1.47e-47 . . . . 6212 1 14 no SP P02721 . "RecName: Full=ATP synthase-coupling factor 6, mitochondrial; Short=ATPase subunit F6; Flags: Precursor [Bos taurus]" . . . . . 100.00 108 100.00 100.00 1.38e-47 . . . . 6212 1 15 no SP P13618 . "RecName: Full=ATP synthase-coupling factor 6, mitochondrial; Short=ATPase subunit F6 [Sus scrofa]" . . . . . 100.00 76 98.68 98.68 3.43e-46 . . . . 6212 1 16 no TPG DAA33656 . "TPA: ATP synthase-coupling factor 6, mitochondrial precursor [Bos taurus]" . . . . . 100.00 108 100.00 100.00 1.38e-47 . . . . 6212 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bovine coupling factor 6' common 6212 1 F6 abbreviation 6212 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 . ASN . 6212 1 2 . LYS . 6212 1 3 . GLU . 6212 1 4 . LEU . 6212 1 5 . ASP . 6212 1 6 . PRO . 6212 1 7 . VAL . 6212 1 8 . GLN . 6212 1 9 . LYS . 6212 1 10 . LEU . 6212 1 11 . PHE . 6212 1 12 . VAL . 6212 1 13 . ASP . 6212 1 14 . LYS . 6212 1 15 . ILE . 6212 1 16 . ARG . 6212 1 17 . GLU . 6212 1 18 . TYR . 6212 1 19 . ARG . 6212 1 20 . THR . 6212 1 21 . LYS . 6212 1 22 . ARG . 6212 1 23 . GLN . 6212 1 24 . THR . 6212 1 25 . SER . 6212 1 26 . GLY . 6212 1 27 . GLY . 6212 1 28 . PRO . 6212 1 29 . VAL . 6212 1 30 . ASP . 6212 1 31 . ALA . 6212 1 32 . GLY . 6212 1 33 . PRO . 6212 1 34 . GLU . 6212 1 35 . TYR . 6212 1 36 . GLN . 6212 1 37 . GLN . 6212 1 38 . ASP . 6212 1 39 . LEU . 6212 1 40 . ASP . 6212 1 41 . ARG . 6212 1 42 . GLU . 6212 1 43 . LEU . 6212 1 44 . PHE . 6212 1 45 . LYS . 6212 1 46 . LEU . 6212 1 47 . LYS . 6212 1 48 . GLN . 6212 1 49 . MET . 6212 1 50 . TYR . 6212 1 51 . GLY . 6212 1 52 . LYS . 6212 1 53 . ALA . 6212 1 54 . ASP . 6212 1 55 . MET . 6212 1 56 . ASN . 6212 1 57 . THR . 6212 1 58 . PHE . 6212 1 59 . PRO . 6212 1 60 . ASN . 6212 1 61 . PHE . 6212 1 62 . THR . 6212 1 63 . PHE . 6212 1 64 . GLU . 6212 1 65 . ASP . 6212 1 66 . PRO . 6212 1 67 . LYS . 6212 1 68 . PHE . 6212 1 69 . GLU . 6212 1 70 . VAL . 6212 1 71 . VAL . 6212 1 72 . GLU . 6212 1 73 . LYS . 6212 1 74 . PRO . 6212 1 75 . GLN . 6212 1 76 . SER . 6212 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 . ASN 1 1 6212 1 . LYS 2 2 6212 1 . GLU 3 3 6212 1 . LEU 4 4 6212 1 . ASP 5 5 6212 1 . PRO 6 6 6212 1 . VAL 7 7 6212 1 . GLN 8 8 6212 1 . LYS 9 9 6212 1 . LEU 10 10 6212 1 . PHE 11 11 6212 1 . VAL 12 12 6212 1 . ASP 13 13 6212 1 . LYS 14 14 6212 1 . ILE 15 15 6212 1 . ARG 16 16 6212 1 . GLU 17 17 6212 1 . TYR 18 18 6212 1 . ARG 19 19 6212 1 . THR 20 20 6212 1 . LYS 21 21 6212 1 . ARG 22 22 6212 1 . GLN 23 23 6212 1 . THR 24 24 6212 1 . SER 25 25 6212 1 . GLY 26 26 6212 1 . GLY 27 27 6212 1 . PRO 28 28 6212 1 . VAL 29 29 6212 1 . ASP 30 30 6212 1 . ALA 31 31 6212 1 . GLY 32 32 6212 1 . PRO 33 33 6212 1 . GLU 34 34 6212 1 . TYR 35 35 6212 1 . GLN 36 36 6212 1 . GLN 37 37 6212 1 . ASP 38 38 6212 1 . LEU 39 39 6212 1 . ASP 40 40 6212 1 . ARG 41 41 6212 1 . GLU 42 42 6212 1 . LEU 43 43 6212 1 . PHE 44 44 6212 1 . LYS 45 45 6212 1 . LEU 46 46 6212 1 . LYS 47 47 6212 1 . GLN 48 48 6212 1 . MET 49 49 6212 1 . TYR 50 50 6212 1 . GLY 51 51 6212 1 . LYS 52 52 6212 1 . ALA 53 53 6212 1 . ASP 54 54 6212 1 . MET 55 55 6212 1 . ASN 56 56 6212 1 . THR 57 57 6212 1 . PHE 58 58 6212 1 . PRO 59 59 6212 1 . ASN 60 60 6212 1 . PHE 61 61 6212 1 . THR 62 62 6212 1 . PHE 63 63 6212 1 . GLU 64 64 6212 1 . ASP 65 65 6212 1 . PRO 66 66 6212 1 . LYS 67 67 6212 1 . PHE 68 68 6212 1 . GLU 69 69 6212 1 . VAL 70 70 6212 1 . VAL 71 71 6212 1 . GLU 72 72 6212 1 . LYS 73 73 6212 1 . PRO 74 74 6212 1 . GLN 75 75 6212 1 . SER 76 76 6212 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 6212 _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 $F6_monomer . 9913 . . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . mitochondria . . . . pRKF6 . . . . . . 6212 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 6212 _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 $F6_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'C41 (DE3)' . . . . . . . . . . . . plasmid . . pMW7 . . . ; Supplementation of media with glycerol (5-10% v/v) dramatically increased yield of over-expressed protein. ; . . 6212 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6212 _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 'Bovine coupling factor 6' '[U-95% 13C; U-90% 15N]' . . 1 $F6_monomer . . . 1.0 1.5 mM . . . . 6212 1 2 NaCl . . . . . . . 50 . . mM . . . . 6212 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6212 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 6212 1 temperature 300 1 K 6212 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 6212 _Software.ID 1 _Software.Name Xwinnmr _Software.Version 2.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 6212 1 processing 6212 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6212 _Software.ID 2 _Software.Name Sparky _Software.Version 3.87 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6212 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6212 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6212 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6212 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Cryoprobe in the 500 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 6212 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 6212 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 6212 1 3 NMR_spectrometer_3 Bruker Avance . 500 'Cryoprobe in the 500 MHz' . . 6212 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 6212 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6212 _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 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 external cylindrical parallel . . . . . . 6212 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6212 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6212 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6212 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6212 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 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 6212 1 2 . 1 1 1 1 ASN HB2 H 1 2.81 0.01 . 2 . . . . . . . . 6212 1 3 . 1 1 1 1 ASN HB3 H 1 2.89 0.01 . 2 . . . . . . . . 6212 1 4 . 1 1 1 1 ASN HD21 H 1 7.03 0.01 . 2 . . . . . . . . 6212 1 5 . 1 1 1 1 ASN HD22 H 1 7.71 0.01 . 2 . . . . . . . . 6212 1 6 . 1 1 1 1 ASN CA C 13 53.3 0.2 . 1 . . . . . . . . 6212 1 7 . 1 1 1 1 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 6212 1 8 . 1 1 1 1 ASN ND2 N 15 113.2 0.2 . 1 . . . . . . . . 6212 1 9 . 1 1 2 2 LYS H H 1 8.54 0.01 . 1 . . . . . . . . 6212 1 10 . 1 1 2 2 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 6212 1 11 . 1 1 2 2 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6212 1 12 . 1 1 2 2 LYS HB3 H 1 1.87 0.01 . 2 . . . . . . . . 6212 1 13 . 1 1 2 2 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 6212 1 14 . 1 1 2 2 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 6212 1 15 . 1 1 2 2 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 6212 1 16 . 1 1 2 2 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 6212 1 17 . 1 1 2 2 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 6212 1 18 . 1 1 2 2 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 6212 1 19 . 1 1 2 2 LYS CA C 13 56.6 0.2 . 1 . . . . . . . . 6212 1 20 . 1 1 2 2 LYS CB C 13 33.0 0.2 . 1 . . . . . . . . 6212 1 21 . 1 1 2 2 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 6212 1 22 . 1 1 2 2 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 6212 1 23 . 1 1 2 2 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6212 1 24 . 1 1 2 2 LYS N N 15 122.6 0.2 . 1 . . . . . . . . 6212 1 25 . 1 1 3 3 GLU H H 1 8.46 0.01 . 1 . . . . . . . . 6212 1 26 . 1 1 3 3 GLU HA H 1 4.32 0.01 . 1 . . . . . . . . 6212 1 27 . 1 1 3 3 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 6212 1 28 . 1 1 3 3 GLU HB3 H 1 1.97 0.01 . 2 . . . . . . . . 6212 1 29 . 1 1 3 3 GLU HG2 H 1 2.30 0.01 . 1 . . . . . . . . 6212 1 30 . 1 1 3 3 GLU HG3 H 1 2.30 0.01 . 1 . . . . . . . . 6212 1 31 . 1 1 3 3 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 6212 1 32 . 1 1 3 3 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 6212 1 33 . 1 1 3 3 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6212 1 34 . 1 1 3 3 GLU N N 15 121.7 0.2 . 1 . . . . . . . . 6212 1 35 . 1 1 4 4 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 6212 1 36 . 1 1 4 4 LEU HA H 1 4.37 0.01 . 1 . . . . . . . . 6212 1 37 . 1 1 4 4 LEU HB2 H 1 1.56 0.01 . 2 . . . . . . . . 6212 1 38 . 1 1 4 4 LEU HB3 H 1 1.64 0.01 . 2 . . . . . . . . 6212 1 39 . 1 1 4 4 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 6212 1 40 . 1 1 4 4 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 6212 1 41 . 1 1 4 4 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 6212 1 42 . 1 1 4 4 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 6212 1 43 . 1 1 4 4 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 44 . 1 1 4 4 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 45 . 1 1 4 4 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 46 . 1 1 4 4 LEU CA C 13 54.7 0.2 . 1 . . . . . . . . 6212 1 47 . 1 1 4 4 LEU CB C 13 42.7 0.2 . 1 . . . . . . . . 6212 1 48 . 1 1 4 4 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 6212 1 49 . 1 1 4 4 LEU CD1 C 13 23.4 0.2 . 2 . . . . . . . . 6212 1 50 . 1 1 4 4 LEU CD2 C 13 25.1 0.2 . 2 . . . . . . . . 6212 1 51 . 1 1 4 4 LEU N N 15 122.8 0.2 . 1 . . . . . . . . 6212 1 52 . 1 1 5 5 ASP H H 1 8.39 0.01 . 1 . . . . . . . . 6212 1 53 . 1 1 5 5 ASP HA H 1 4.84 0.01 . 1 . . . . . . . . 6212 1 54 . 1 1 5 5 ASP HB2 H 1 2.75 0.01 . 1 . . . . . . . . 6212 1 55 . 1 1 5 5 ASP HB3 H 1 2.75 0.01 . 1 . . . . . . . . 6212 1 56 . 1 1 5 5 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 6212 1 57 . 1 1 5 5 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 6212 1 58 . 1 1 5 5 ASP N N 15 123.2 0.2 . 1 . . . . . . . . 6212 1 59 . 1 1 6 6 PRO HA H 1 4.33 0.01 . 1 . . . . . . . . 6212 1 60 . 1 1 6 6 PRO HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6212 1 61 . 1 1 6 6 PRO HB3 H 1 2.37 0.01 . 2 . . . . . . . . 6212 1 62 . 1 1 6 6 PRO HG2 H 1 2.07 0.01 . 1 . . . . . . . . 6212 1 63 . 1 1 6 6 PRO HG3 H 1 2.07 0.01 . 1 . . . . . . . . 6212 1 64 . 1 1 6 6 PRO HD2 H 1 3.83 0.01 . 2 . . . . . . . . 6212 1 65 . 1 1 6 6 PRO HD3 H 1 3.92 0.01 . 2 . . . . . . . . 6212 1 66 . 1 1 6 6 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 6212 1 67 . 1 1 6 6 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 6212 1 68 . 1 1 6 6 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 6212 1 69 . 1 1 6 6 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 6212 1 70 . 1 1 7 7 VAL H H 1 8.15 0.01 . 1 . . . . . . . . 6212 1 71 . 1 1 7 7 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . 6212 1 72 . 1 1 7 7 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 6212 1 73 . 1 1 7 7 VAL HG11 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 74 . 1 1 7 7 VAL HG12 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 75 . 1 1 7 7 VAL HG13 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 76 . 1 1 7 7 VAL HG21 H 1 0.99 0.01 . 2 . . . . . . . . 6212 1 77 . 1 1 7 7 VAL HG22 H 1 0.99 0.01 . 2 . . . . . . . . 6212 1 78 . 1 1 7 7 VAL HG23 H 1 0.99 0.01 . 2 . . . . . . . . 6212 1 79 . 1 1 7 7 VAL CA C 13 64.4 0.2 . 1 . . . . . . . . 6212 1 80 . 1 1 7 7 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 6212 1 81 . 1 1 7 7 VAL CG1 C 13 21.4 0.2 . 2 . . . . . . . . 6212 1 82 . 1 1 7 7 VAL CG2 C 13 22.0 0.2 . 2 . . . . . . . . 6212 1 83 . 1 1 7 7 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 6212 1 84 . 1 1 8 8 GLN H H 1 8.15 0.01 . 1 . . . . . . . . 6212 1 85 . 1 1 8 8 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 6212 1 86 . 1 1 8 8 GLN HB2 H 1 1.99 0.01 . 1 . . . . . . . . 6212 1 87 . 1 1 8 8 GLN HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6212 1 88 . 1 1 8 8 GLN HG2 H 1 2.31 0.01 . 2 . . . . . . . . 6212 1 89 . 1 1 8 8 GLN HG3 H 1 2.48 0.01 . 2 . . . . . . . . 6212 1 90 . 1 1 8 8 GLN HE21 H 1 6.84 0.01 . 2 . . . . . . . . 6212 1 91 . 1 1 8 8 GLN HE22 H 1 7.51 0.01 . 2 . . . . . . . . 6212 1 92 . 1 1 8 8 GLN CA C 13 57.2 0.2 . 1 . . . . . . . . 6212 1 93 . 1 1 8 8 GLN CB C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 94 . 1 1 8 8 GLN CG C 13 34.1 0.2 . 1 . . . . . . . . 6212 1 95 . 1 1 8 8 GLN N N 15 121.2 0.2 . 1 . . . . . . . . 6212 1 96 . 1 1 8 8 GLN NE2 N 15 111.7 0.2 . 1 . . . . . . . . 6212 1 97 . 1 1 9 9 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 6212 1 98 . 1 1 9 9 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 6212 1 99 . 1 1 9 9 LYS HB2 H 1 1.80 0.01 . 1 . . . . . . . . 6212 1 100 . 1 1 9 9 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 6212 1 101 . 1 1 9 9 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 6212 1 102 . 1 1 9 9 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 6212 1 103 . 1 1 9 9 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 6212 1 104 . 1 1 9 9 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 6212 1 105 . 1 1 9 9 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 6212 1 106 . 1 1 9 9 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 6212 1 107 . 1 1 9 9 LYS CA C 13 58.2 0.2 . 1 . . . . . . . . 6212 1 108 . 1 1 9 9 LYS CB C 13 33.0 0.2 . 1 . . . . . . . . 6212 1 109 . 1 1 9 9 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 6212 1 110 . 1 1 9 9 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 111 . 1 1 9 9 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6212 1 112 . 1 1 9 9 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 6212 1 113 . 1 1 10 10 LEU H H 1 7.78 0.01 . 1 . . . . . . . . 6212 1 114 . 1 1 10 10 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 6212 1 115 . 1 1 10 10 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 6212 1 116 . 1 1 10 10 LEU HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6212 1 117 . 1 1 10 10 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 6212 1 118 . 1 1 10 10 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 6212 1 119 . 1 1 10 10 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 6212 1 120 . 1 1 10 10 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 6212 1 121 . 1 1 10 10 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 122 . 1 1 10 10 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 123 . 1 1 10 10 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 6212 1 124 . 1 1 10 10 LEU CA C 13 56.6 0.2 . 1 . . . . . . . . 6212 1 125 . 1 1 10 10 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6212 1 126 . 1 1 10 10 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 6212 1 127 . 1 1 10 10 LEU CD1 C 13 23.8 0.2 . 2 . . . . . . . . 6212 1 128 . 1 1 10 10 LEU CD2 C 13 24.9 0.2 . 2 . . . . . . . . 6212 1 129 . 1 1 10 10 LEU N N 15 119.9 0.2 . 1 . . . . . . . . 6212 1 130 . 1 1 11 11 PHE H H 1 8.03 0.01 . 1 . . . . . . . . 6212 1 131 . 1 1 11 11 PHE HA H 1 4.39 0.01 . 1 . . . . . . . . 6212 1 132 . 1 1 11 11 PHE HB2 H 1 3.15 0.01 . 1 . . . . . . . . 6212 1 133 . 1 1 11 11 PHE HB3 H 1 3.15 0.01 . 1 . . . . . . . . 6212 1 134 . 1 1 11 11 PHE HD1 H 1 7.21 0.01 . 1 . . . . . . . . 6212 1 135 . 1 1 11 11 PHE HD2 H 1 7.21 0.01 . 1 . . . . . . . . 6212 1 136 . 1 1 11 11 PHE HE1 H 1 7.25 0.01 . 1 . . . . . . . . 6212 1 137 . 1 1 11 11 PHE HE2 H 1 7.25 0.01 . 1 . . . . . . . . 6212 1 138 . 1 1 11 11 PHE CA C 13 59.6 0.2 . 1 . . . . . . . . 6212 1 139 . 1 1 11 11 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 6212 1 140 . 1 1 11 11 PHE CD1 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 141 . 1 1 11 11 PHE CD2 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 142 . 1 1 11 11 PHE N N 15 119.3 0.2 . 1 . . . . . . . . 6212 1 143 . 1 1 12 12 VAL H H 1 8.12 0.01 . 1 . . . . . . . . 6212 1 144 . 1 1 12 12 VAL HA H 1 3.76 0.01 . 1 . . . . . . . . 6212 1 145 . 1 1 12 12 VAL HB H 1 2.15 0.01 . 1 . . . . . . . . 6212 1 146 . 1 1 12 12 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 6212 1 147 . 1 1 12 12 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 6212 1 148 . 1 1 12 12 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 6212 1 149 . 1 1 12 12 VAL HG21 H 1 1.05 0.01 . 2 . . . . . . . . 6212 1 150 . 1 1 12 12 VAL HG22 H 1 1.05 0.01 . 2 . . . . . . . . 6212 1 151 . 1 1 12 12 VAL HG23 H 1 1.05 0.01 . 2 . . . . . . . . 6212 1 152 . 1 1 12 12 VAL CA C 13 64.9 0.2 . 1 . . . . . . . . 6212 1 153 . 1 1 12 12 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 6212 1 154 . 1 1 12 12 VAL CG1 C 13 21.3 0.2 . 2 . . . . . . . . 6212 1 155 . 1 1 12 12 VAL CG2 C 13 21.9 0.2 . 2 . . . . . . . . 6212 1 156 . 1 1 12 12 VAL N N 15 119.5 0.2 . 1 . . . . . . . . 6212 1 157 . 1 1 13 13 ASP H H 1 8.37 0.01 . 1 . . . . . . . . 6212 1 158 . 1 1 13 13 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 6212 1 159 . 1 1 13 13 ASP HB2 H 1 2.70 0.01 . 2 . . . . . . . . 6212 1 160 . 1 1 13 13 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 6212 1 161 . 1 1 13 13 ASP CA C 13 56.2 0.2 . 1 . . . . . . . . 6212 1 162 . 1 1 13 13 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 6212 1 163 . 1 1 13 13 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 6212 1 164 . 1 1 14 14 LYS H H 1 8.11 0.01 . 1 . . . . . . . . 6212 1 165 . 1 1 14 14 LYS HA H 1 4.21 0.01 . 1 . . . . . . . . 6212 1 166 . 1 1 14 14 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 6212 1 167 . 1 1 14 14 LYS HB3 H 1 1.91 0.01 . 2 . . . . . . . . 6212 1 168 . 1 1 14 14 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 6212 1 169 . 1 1 14 14 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 6212 1 170 . 1 1 14 14 LYS HD2 H 1 1.55 0.01 . 1 . . . . . . . . 6212 1 171 . 1 1 14 14 LYS HD3 H 1 1.55 0.01 . 1 . . . . . . . . 6212 1 172 . 1 1 14 14 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6212 1 173 . 1 1 14 14 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6212 1 174 . 1 1 14 14 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 6212 1 175 . 1 1 14 14 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 6212 1 176 . 1 1 14 14 LYS CG C 13 24.6 0.2 . 1 . . . . . . . . 6212 1 177 . 1 1 14 14 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 178 . 1 1 14 14 LYS CE C 13 41.9 0.2 . 1 . . . . . . . . 6212 1 179 . 1 1 14 14 LYS N N 15 120.7 0.2 . 1 . . . . . . . . 6212 1 180 . 1 1 15 15 ILE H H 1 8.13 0.01 . 1 . . . . . . . . 6212 1 181 . 1 1 15 15 ILE HA H 1 3.90 0.01 . 1 . . . . . . . . 6212 1 182 . 1 1 15 15 ILE HB H 1 1.91 0.01 . 1 . . . . . . . . 6212 1 183 . 1 1 15 15 ILE HG12 H 1 1.47 0.01 . 2 . . . . . . . . 6212 1 184 . 1 1 15 15 ILE HG13 H 1 1.08 0.01 . 2 . . . . . . . . 6212 1 185 . 1 1 15 15 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 6212 1 186 . 1 1 15 15 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 6212 1 187 . 1 1 15 15 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 6212 1 188 . 1 1 15 15 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 6212 1 189 . 1 1 15 15 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 6212 1 190 . 1 1 15 15 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 6212 1 191 . 1 1 15 15 ILE CA C 13 63.3 0.2 . 1 . . . . . . . . 6212 1 192 . 1 1 15 15 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 6212 1 193 . 1 1 15 15 ILE CG1 C 13 28.3 0.2 . 1 . . . . . . . . 6212 1 194 . 1 1 15 15 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 6212 1 195 . 1 1 15 15 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 6212 1 196 . 1 1 15 15 ILE N N 15 120.6 0.2 . 1 . . . . . . . . 6212 1 197 . 1 1 16 16 ARG H H 1 8.19 0.01 . 1 . . . . . . . . 6212 1 198 . 1 1 16 16 ARG HA H 1 4.12 0.01 . 1 . . . . . . . . 6212 1 199 . 1 1 16 16 ARG HB2 H 1 1.91 0.01 . 1 . . . . . . . . 6212 1 200 . 1 1 16 16 ARG HB3 H 1 1.91 0.01 . 1 . . . . . . . . 6212 1 201 . 1 1 16 16 ARG HG2 H 1 1.33 0.01 . 1 . . . . . . . . 6212 1 202 . 1 1 16 16 ARG HG3 H 1 1.33 0.01 . 1 . . . . . . . . 6212 1 203 . 1 1 16 16 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6212 1 204 . 1 1 16 16 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6212 1 205 . 1 1 16 16 ARG CA C 13 58.3 0.2 . 1 . . . . . . . . 6212 1 206 . 1 1 16 16 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 6212 1 207 . 1 1 16 16 ARG CG C 13 27.5 0.2 . 1 . . . . . . . . 6212 1 208 . 1 1 16 16 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 6212 1 209 . 1 1 16 16 ARG N N 15 121.8 0.2 . 1 . . . . . . . . 6212 1 210 . 1 1 17 17 GLU H H 1 8.19 0.01 . 1 . . . . . . . . 6212 1 211 . 1 1 17 17 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 6212 1 212 . 1 1 17 17 GLU HB2 H 1 2.09 0.01 . 1 . . . . . . . . 6212 1 213 . 1 1 17 17 GLU HB3 H 1 2.09 0.01 . 1 . . . . . . . . 6212 1 214 . 1 1 17 17 GLU HG2 H 1 2.18 0.01 . 2 . . . . . . . . 6212 1 215 . 1 1 17 17 GLU HG3 H 1 2.34 0.01 . 2 . . . . . . . . 6212 1 216 . 1 1 17 17 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 6212 1 217 . 1 1 17 17 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 6212 1 218 . 1 1 17 17 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6212 1 219 . 1 1 17 17 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 6212 1 220 . 1 1 18 18 TYR H H 1 8.19 0.01 . 1 . . . . . . . . 6212 1 221 . 1 1 18 18 TYR HA H 1 4.39 0.01 . 1 . . . . . . . . 6212 1 222 . 1 1 18 18 TYR HB2 H 1 3.12 0.01 . 1 . . . . . . . . 6212 1 223 . 1 1 18 18 TYR HB3 H 1 3.12 0.01 . 1 . . . . . . . . 6212 1 224 . 1 1 18 18 TYR HD1 H 1 7.10 0.01 . 1 . . . . . . . . 6212 1 225 . 1 1 18 18 TYR HD2 H 1 7.10 0.01 . 1 . . . . . . . . 6212 1 226 . 1 1 18 18 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 6212 1 227 . 1 1 18 18 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 6212 1 228 . 1 1 18 18 TYR CA C 13 59.6 0.2 . 1 . . . . . . . . 6212 1 229 . 1 1 18 18 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 6212 1 230 . 1 1 18 18 TYR CD1 C 13 132.8 0.2 . 1 . . . . . . . . 6212 1 231 . 1 1 18 18 TYR CD2 C 13 132.8 0.2 . 1 . . . . . . . . 6212 1 232 . 1 1 18 18 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 6212 1 233 . 1 1 18 18 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 6212 1 234 . 1 1 18 18 TYR N N 15 120.6 0.2 . 1 . . . . . . . . 6212 1 235 . 1 1 19 19 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 6212 1 236 . 1 1 19 19 ARG HA H 1 4.18 0.01 . 1 . . . . . . . . 6212 1 237 . 1 1 19 19 ARG HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6212 1 238 . 1 1 19 19 ARG HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6212 1 239 . 1 1 19 19 ARG HG2 H 1 1.65 0.01 . 2 . . . . . . . . 6212 1 240 . 1 1 19 19 ARG HG3 H 1 1.78 0.01 . 2 . . . . . . . . 6212 1 241 . 1 1 19 19 ARG HD2 H 1 3.19 0.01 . 1 . . . . . . . . 6212 1 242 . 1 1 19 19 ARG HD3 H 1 3.19 0.01 . 1 . . . . . . . . 6212 1 243 . 1 1 19 19 ARG CA C 13 57.6 0.2 . 1 . . . . . . . . 6212 1 244 . 1 1 19 19 ARG CB C 13 30.3 0.2 . 1 . . . . . . . . 6212 1 245 . 1 1 19 19 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 6212 1 246 . 1 1 19 19 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 6212 1 247 . 1 1 19 19 ARG N N 15 119.9 0.2 . 1 . . . . . . . . 6212 1 248 . 1 1 20 20 THR H H 1 8.10 0.01 . 1 . . . . . . . . 6212 1 249 . 1 1 20 20 THR HA H 1 4.24 0.01 . 1 . . . . . . . . 6212 1 250 . 1 1 20 20 THR HB H 1 4.30 0.01 . 1 . . . . . . . . 6212 1 251 . 1 1 20 20 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 6212 1 252 . 1 1 20 20 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 6212 1 253 . 1 1 20 20 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 6212 1 254 . 1 1 20 20 THR CA C 13 63.5 0.2 . 1 . . . . . . . . 6212 1 255 . 1 1 20 20 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 6212 1 256 . 1 1 20 20 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 6212 1 257 . 1 1 20 20 THR N N 15 114.0 0.2 . 1 . . . . . . . . 6212 1 258 . 1 1 21 21 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 6212 1 259 . 1 1 21 21 LYS HA H 1 4.28 0.01 . 1 . . . . . . . . 6212 1 260 . 1 1 21 21 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 6212 1 261 . 1 1 21 21 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 6212 1 262 . 1 1 21 21 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 6212 1 263 . 1 1 21 21 LYS HG3 H 1 1.51 0.01 . 2 . . . . . . . . 6212 1 264 . 1 1 21 21 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 6212 1 265 . 1 1 21 21 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 6212 1 266 . 1 1 21 21 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 6212 1 267 . 1 1 21 21 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 6212 1 268 . 1 1 21 21 LYS CA C 13 57.2 0.2 . 1 . . . . . . . . 6212 1 269 . 1 1 21 21 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 6212 1 270 . 1 1 21 21 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 6212 1 271 . 1 1 21 21 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 6212 1 272 . 1 1 21 21 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6212 1 273 . 1 1 21 21 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 6212 1 274 . 1 1 22 22 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 6212 1 275 . 1 1 22 22 ARG HA H 1 4.30 0.01 . 1 . . . . . . . . 6212 1 276 . 1 1 22 22 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6212 1 277 . 1 1 22 22 ARG HB3 H 1 1.85 0.01 . 2 . . . . . . . . 6212 1 278 . 1 1 22 22 ARG HG2 H 1 1.57 0.01 . 1 . . . . . . . . 6212 1 279 . 1 1 22 22 ARG HG3 H 1 1.57 0.01 . 1 . . . . . . . . 6212 1 280 . 1 1 22 22 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 6212 1 281 . 1 1 22 22 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 6212 1 282 . 1 1 22 22 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 6212 1 283 . 1 1 22 22 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 6212 1 284 . 1 1 22 22 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 6212 1 285 . 1 1 22 22 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 6212 1 286 . 1 1 22 22 ARG N N 15 120.8 0.2 . 1 . . . . . . . . 6212 1 287 . 1 1 23 23 GLN H H 1 8.33 0.01 . 1 . . . . . . . . 6212 1 288 . 1 1 23 23 GLN HA H 1 4.41 0.01 . 1 . . . . . . . . 6212 1 289 . 1 1 23 23 GLN HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6212 1 290 . 1 1 23 23 GLN HB3 H 1 2.19 0.01 . 2 . . . . . . . . 6212 1 291 . 1 1 23 23 GLN HG2 H 1 2.43 0.01 . 1 . . . . . . . . 6212 1 292 . 1 1 23 23 GLN HG3 H 1 2.43 0.01 . 1 . . . . . . . . 6212 1 293 . 1 1 23 23 GLN HE21 H 1 6.89 0.01 . 2 . . . . . . . . 6212 1 294 . 1 1 23 23 GLN HE22 H 1 7.54 0.01 . 2 . . . . . . . . 6212 1 295 . 1 1 23 23 GLN CA C 13 56.2 0.2 . 1 . . . . . . . . 6212 1 296 . 1 1 23 23 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 6212 1 297 . 1 1 23 23 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 6212 1 298 . 1 1 23 23 GLN N N 15 120.8 0.2 . 1 . . . . . . . . 6212 1 299 . 1 1 23 23 GLN NE2 N 15 112.0 0.2 . 1 . . . . . . . . 6212 1 300 . 1 1 24 24 THR H H 1 8.21 0.01 . 1 . . . . . . . . 6212 1 301 . 1 1 24 24 THR HA H 1 4.45 0.01 . 1 . . . . . . . . 6212 1 302 . 1 1 24 24 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 6212 1 303 . 1 1 24 24 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 6212 1 304 . 1 1 24 24 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 6212 1 305 . 1 1 24 24 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 6212 1 306 . 1 1 24 24 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 6212 1 307 . 1 1 24 24 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 6212 1 308 . 1 1 24 24 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 6212 1 309 . 1 1 24 24 THR N N 15 114.3 0.2 . 1 . . . . . . . . 6212 1 310 . 1 1 25 25 SER H H 1 8.36 0.01 . 1 . . . . . . . . 6212 1 311 . 1 1 25 25 SER HA H 1 4.54 0.01 . 1 . . . . . . . . 6212 1 312 . 1 1 25 25 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 6212 1 313 . 1 1 25 25 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 6212 1 314 . 1 1 25 25 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 6212 1 315 . 1 1 25 25 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 6212 1 316 . 1 1 25 25 SER N N 15 117.5 0.2 . 1 . . . . . . . . 6212 1 317 . 1 1 26 26 GLY H H 1 8.46 0.01 . 1 . . . . . . . . 6212 1 318 . 1 1 26 26 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 6212 1 319 . 1 1 26 26 GLY HA3 H 1 4.08 0.01 . 2 . . . . . . . . 6212 1 320 . 1 1 26 26 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 6212 1 321 . 1 1 26 26 GLY N N 15 110.7 0.2 . 1 . . . . . . . . 6212 1 322 . 1 1 27 27 GLY H H 1 8.15 0.01 . 1 . . . . . . . . 6212 1 323 . 1 1 27 27 GLY HA2 H 1 4.07 0.01 . 2 . . . . . . . . 6212 1 324 . 1 1 27 27 GLY HA3 H 1 4.18 0.01 . 2 . . . . . . . . 6212 1 325 . 1 1 27 27 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 6212 1 326 . 1 1 27 27 GLY N N 15 108.9 0.2 . 1 . . . . . . . . 6212 1 327 . 1 1 28 28 PRO HA H 1 4.51 0.01 . 1 . . . . . . . . 6212 1 328 . 1 1 28 28 PRO HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6212 1 329 . 1 1 28 28 PRO HB3 H 1 2.28 0.01 . 2 . . . . . . . . 6212 1 330 . 1 1 28 28 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 6212 1 331 . 1 1 28 28 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 6212 1 332 . 1 1 28 28 PRO HD2 H 1 3.62 0.01 . 1 . . . . . . . . 6212 1 333 . 1 1 28 28 PRO HD3 H 1 3.62 0.01 . 1 . . . . . . . . 6212 1 334 . 1 1 28 28 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 6212 1 335 . 1 1 28 28 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 6212 1 336 . 1 1 28 28 PRO CG C 13 27.1 0.2 . 1 . . . . . . . . 6212 1 337 . 1 1 28 28 PRO CD C 13 49.6 0.2 . 1 . . . . . . . . 6212 1 338 . 1 1 29 29 VAL H H 1 8.28 0.01 . 1 . . . . . . . . 6212 1 339 . 1 1 29 29 VAL HA H 1 4.12 0.01 . 1 . . . . . . . . 6212 1 340 . 1 1 29 29 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 6212 1 341 . 1 1 29 29 VAL HG11 H 1 0.96 0.01 . 1 . . . . . . . . 6212 1 342 . 1 1 29 29 VAL HG12 H 1 0.96 0.01 . 1 . . . . . . . . 6212 1 343 . 1 1 29 29 VAL HG13 H 1 0.96 0.01 . 1 . . . . . . . . 6212 1 344 . 1 1 29 29 VAL HG21 H 1 0.96 0.01 . 1 . . . . . . . . 6212 1 345 . 1 1 29 29 VAL HG22 H 1 0.96 0.01 . 1 . . . . . . . . 6212 1 346 . 1 1 29 29 VAL HG23 H 1 0.96 0.01 . 1 . . . . . . . . 6212 1 347 . 1 1 29 29 VAL CA C 13 62.3 0.2 . 1 . . . . . . . . 6212 1 348 . 1 1 29 29 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 6212 1 349 . 1 1 29 29 VAL CG1 C 13 20.4 0.2 . 1 . . . . . . . . 6212 1 350 . 1 1 29 29 VAL CG2 C 13 20.4 0.2 . 1 . . . . . . . . 6212 1 351 . 1 1 29 29 VAL N N 15 119.7 0.2 . 1 . . . . . . . . 6212 1 352 . 1 1 30 30 ASP H H 1 8.29 0.01 . 1 . . . . . . . . 6212 1 353 . 1 1 30 30 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 6212 1 354 . 1 1 30 30 ASP HB2 H 1 2.61 0.01 . 2 . . . . . . . . 6212 1 355 . 1 1 30 30 ASP HB3 H 1 2.66 0.01 . 2 . . . . . . . . 6212 1 356 . 1 1 30 30 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 6212 1 357 . 1 1 30 30 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 6212 1 358 . 1 1 30 30 ASP N N 15 123.1 0.2 . 1 . . . . . . . . 6212 1 359 . 1 1 31 31 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 6212 1 360 . 1 1 31 31 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 6212 1 361 . 1 1 31 31 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 6212 1 362 . 1 1 31 31 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 6212 1 363 . 1 1 31 31 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 6212 1 364 . 1 1 31 31 ALA CA C 13 52.2 0.2 . 1 . . . . . . . . 6212 1 365 . 1 1 31 31 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 6212 1 366 . 1 1 31 31 ALA N N 15 124.2 0.2 . 1 . . . . . . . . 6212 1 367 . 1 1 32 32 GLY H H 1 8.33 0.01 . 1 . . . . . . . . 6212 1 368 . 1 1 32 32 GLY HA2 H 1 4.18 0.01 . 1 . . . . . . . . 6212 1 369 . 1 1 32 32 GLY HA3 H 1 4.18 0.01 . 1 . . . . . . . . 6212 1 370 . 1 1 32 32 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 6212 1 371 . 1 1 32 32 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 6212 1 372 . 1 1 33 33 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 6212 1 373 . 1 1 33 33 PRO HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6212 1 374 . 1 1 33 33 PRO HB3 H 1 2.29 0.01 . 2 . . . . . . . . 6212 1 375 . 1 1 33 33 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 6212 1 376 . 1 1 33 33 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 6212 1 377 . 1 1 33 33 PRO HD2 H 1 3.66 0.01 . 2 . . . . . . . . 6212 1 378 . 1 1 33 33 PRO HD3 H 1 3.73 0.01 . 2 . . . . . . . . 6212 1 379 . 1 1 33 33 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 6212 1 380 . 1 1 33 33 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 6212 1 381 . 1 1 33 33 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 6212 1 382 . 1 1 33 33 PRO CD C 13 49.8 0.2 . 1 . . . . . . . . 6212 1 383 . 1 1 34 34 GLU H H 1 8.83 0.01 . 1 . . . . . . . . 6212 1 384 . 1 1 34 34 GLU HA H 1 4.20 0.01 . 1 . . . . . . . . 6212 1 385 . 1 1 34 34 GLU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6212 1 386 . 1 1 34 34 GLU HB3 H 1 2.00 0.01 . 2 . . . . . . . . 6212 1 387 . 1 1 34 34 GLU HG2 H 1 2.22 0.01 . 2 . . . . . . . . 6212 1 388 . 1 1 34 34 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 6212 1 389 . 1 1 34 34 GLU CA C 13 57.7 0.2 . 1 . . . . . . . . 6212 1 390 . 1 1 34 34 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 6212 1 391 . 1 1 34 34 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 6212 1 392 . 1 1 34 34 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 6212 1 393 . 1 1 35 35 TYR H H 1 7.98 0.01 . 1 . . . . . . . . 6212 1 394 . 1 1 35 35 TYR HA H 1 4.52 0.01 . 1 . . . . . . . . 6212 1 395 . 1 1 35 35 TYR HB2 H 1 3.06 0.01 . 1 . . . . . . . . 6212 1 396 . 1 1 35 35 TYR HB3 H 1 3.06 0.01 . 1 . . . . . . . . 6212 1 397 . 1 1 35 35 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 6212 1 398 . 1 1 35 35 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 6212 1 399 . 1 1 35 35 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 6212 1 400 . 1 1 35 35 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 6212 1 401 . 1 1 35 35 TYR CA C 13 58.9 0.2 . 1 . . . . . . . . 6212 1 402 . 1 1 35 35 TYR CB C 13 38.5 0.2 . 1 . . . . . . . . 6212 1 403 . 1 1 35 35 TYR CD1 C 13 133.0 0.2 . 1 . . . . . . . . 6212 1 404 . 1 1 35 35 TYR CD2 C 13 133.0 0.2 . 1 . . . . . . . . 6212 1 405 . 1 1 35 35 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 6212 1 406 . 1 1 35 35 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 6212 1 407 . 1 1 35 35 TYR N N 15 120.1 0.2 . 1 . . . . . . . . 6212 1 408 . 1 1 36 36 GLN H H 1 8.15 0.01 . 1 . . . . . . . . 6212 1 409 . 1 1 36 36 GLN HA H 1 4.10 0.01 . 1 . . . . . . . . 6212 1 410 . 1 1 36 36 GLN HB2 H 1 2.05 0.01 . 2 . . . . . . . . 6212 1 411 . 1 1 36 36 GLN HB3 H 1 2.10 0.01 . 2 . . . . . . . . 6212 1 412 . 1 1 36 36 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . 6212 1 413 . 1 1 36 36 GLN HG3 H 1 2.37 0.01 . 1 . . . . . . . . 6212 1 414 . 1 1 36 36 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 6212 1 415 . 1 1 36 36 GLN HE22 H 1 7.69 0.01 . 2 . . . . . . . . 6212 1 416 . 1 1 36 36 GLN CA C 13 57.0 0.2 . 1 . . . . . . . . 6212 1 417 . 1 1 36 36 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 6212 1 418 . 1 1 36 36 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 6212 1 419 . 1 1 36 36 GLN N N 15 120.8 0.2 . 1 . . . . . . . . 6212 1 420 . 1 1 36 36 GLN NE2 N 15 113.0 0.2 . 1 . . . . . . . . 6212 1 421 . 1 1 37 37 GLN H H 1 8.27 0.01 . 1 . . . . . . . . 6212 1 422 . 1 1 37 37 GLN HA H 1 4.24 0.01 . 1 . . . . . . . . 6212 1 423 . 1 1 37 37 GLN HB2 H 1 2.10 0.01 . 1 . . . . . . . . 6212 1 424 . 1 1 37 37 GLN HB3 H 1 2.10 0.01 . 1 . . . . . . . . 6212 1 425 . 1 1 37 37 GLN HG2 H 1 2.44 0.01 . 1 . . . . . . . . 6212 1 426 . 1 1 37 37 GLN HG3 H 1 2.44 0.01 . 1 . . . . . . . . 6212 1 427 . 1 1 37 37 GLN HE21 H 1 6.89 0.01 . 2 . . . . . . . . 6212 1 428 . 1 1 37 37 GLN HE22 H 1 7.58 0.01 . 2 . . . . . . . . 6212 1 429 . 1 1 37 37 GLN CA C 13 57.4 0.2 . 1 . . . . . . . . 6212 1 430 . 1 1 37 37 GLN CB C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 431 . 1 1 37 37 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 6212 1 432 . 1 1 37 37 GLN N N 15 119.7 0.2 . 1 . . . . . . . . 6212 1 433 . 1 1 37 37 GLN NE2 N 15 112.0 0.2 . 1 . . . . . . . . 6212 1 434 . 1 1 38 38 ASP H H 1 8.31 0.01 . 1 . . . . . . . . 6212 1 435 . 1 1 38 38 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 6212 1 436 . 1 1 38 38 ASP HB2 H 1 2.75 0.01 . 1 . . . . . . . . 6212 1 437 . 1 1 38 38 ASP HB3 H 1 2.75 0.01 . 1 . . . . . . . . 6212 1 438 . 1 1 38 38 ASP CA C 13 55.7 0.2 . 1 . . . . . . . . 6212 1 439 . 1 1 38 38 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 6212 1 440 . 1 1 38 38 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 6212 1 441 . 1 1 39 39 LEU H H 1 8.07 0.01 . 1 . . . . . . . . 6212 1 442 . 1 1 39 39 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 6212 1 443 . 1 1 39 39 LEU HB2 H 1 1.56 0.01 . 2 . . . . . . . . 6212 1 444 . 1 1 39 39 LEU HB3 H 1 1.61 0.01 . 2 . . . . . . . . 6212 1 445 . 1 1 39 39 LEU HG H 1 1.50 0.01 . 1 . . . . . . . . 6212 1 446 . 1 1 39 39 LEU HD11 H 1 0.83 0.01 . 1 . . . . . . . . 6212 1 447 . 1 1 39 39 LEU HD12 H 1 0.83 0.01 . 1 . . . . . . . . 6212 1 448 . 1 1 39 39 LEU HD13 H 1 0.83 0.01 . 1 . . . . . . . . 6212 1 449 . 1 1 39 39 LEU HD21 H 1 0.83 0.01 . 1 . . . . . . . . 6212 1 450 . 1 1 39 39 LEU HD22 H 1 0.83 0.01 . 1 . . . . . . . . 6212 1 451 . 1 1 39 39 LEU HD23 H 1 0.83 0.01 . 1 . . . . . . . . 6212 1 452 . 1 1 39 39 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 6212 1 453 . 1 1 39 39 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 6212 1 454 . 1 1 39 39 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 6212 1 455 . 1 1 39 39 LEU CD1 C 13 23.7 0.2 . 2 . . . . . . . . 6212 1 456 . 1 1 39 39 LEU CD2 C 13 24.3 0.2 . 2 . . . . . . . . 6212 1 457 . 1 1 39 39 LEU N N 15 122.1 0.2 . 1 . . . . . . . . 6212 1 458 . 1 1 40 40 ASP H H 1 8.32 0.01 . 1 . . . . . . . . 6212 1 459 . 1 1 40 40 ASP HA H 1 4.48 0.01 . 1 . . . . . . . . 6212 1 460 . 1 1 40 40 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 6212 1 461 . 1 1 40 40 ASP HB3 H 1 2.77 0.01 . 2 . . . . . . . . 6212 1 462 . 1 1 40 40 ASP CA C 13 56.5 0.2 . 1 . . . . . . . . 6212 1 463 . 1 1 40 40 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 6212 1 464 . 1 1 40 40 ASP N N 15 119.5 0.2 . 1 . . . . . . . . 6212 1 465 . 1 1 41 41 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 6212 1 466 . 1 1 41 41 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 6212 1 467 . 1 1 41 41 ARG HB2 H 1 1.99 0.01 . 1 . . . . . . . . 6212 1 468 . 1 1 41 41 ARG HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6212 1 469 . 1 1 41 41 ARG HG2 H 1 1.64 0.01 . 2 . . . . . . . . 6212 1 470 . 1 1 41 41 ARG HG3 H 1 1.81 0.01 . 2 . . . . . . . . 6212 1 471 . 1 1 41 41 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 6212 1 472 . 1 1 41 41 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 6212 1 473 . 1 1 41 41 ARG CA C 13 58.7 0.2 . 1 . . . . . . . . 6212 1 474 . 1 1 41 41 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 6212 1 475 . 1 1 41 41 ARG CG C 13 27.5 0.2 . 1 . . . . . . . . 6212 1 476 . 1 1 41 41 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 6212 1 477 . 1 1 41 41 ARG N N 15 120.6 0.2 . 1 . . . . . . . . 6212 1 478 . 1 1 42 42 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 6212 1 479 . 1 1 42 42 GLU HA H 1 4.20 0.01 . 1 . . . . . . . . 6212 1 480 . 1 1 42 42 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 6212 1 481 . 1 1 42 42 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 6212 1 482 . 1 1 42 42 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 6212 1 483 . 1 1 42 42 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 6212 1 484 . 1 1 42 42 GLU CA C 13 58.6 0.2 . 1 . . . . . . . . 6212 1 485 . 1 1 42 42 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 486 . 1 1 42 42 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6212 1 487 . 1 1 42 42 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 6212 1 488 . 1 1 43 43 LEU H H 1 8.36 0.01 . 1 . . . . . . . . 6212 1 489 . 1 1 43 43 LEU HA H 1 4.10 0.01 . 1 . . . . . . . . 6212 1 490 . 1 1 43 43 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 6212 1 491 . 1 1 43 43 LEU HB3 H 1 1.79 0.01 . 2 . . . . . . . . 6212 1 492 . 1 1 43 43 LEU HG H 1 1.69 0.01 . 1 . . . . . . . . 6212 1 493 . 1 1 43 43 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 6212 1 494 . 1 1 43 43 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 6212 1 495 . 1 1 43 43 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 6212 1 496 . 1 1 43 43 LEU HD21 H 1 0.89 0.01 . 2 . . . . . . . . 6212 1 497 . 1 1 43 43 LEU HD22 H 1 0.89 0.01 . 2 . . . . . . . . 6212 1 498 . 1 1 43 43 LEU HD23 H 1 0.89 0.01 . 2 . . . . . . . . 6212 1 499 . 1 1 43 43 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 6212 1 500 . 1 1 43 43 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 6212 1 501 . 1 1 43 43 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 6212 1 502 . 1 1 43 43 LEU CD1 C 13 24.4 0.2 . 2 . . . . . . . . 6212 1 503 . 1 1 43 43 LEU CD2 C 13 24.8 0.2 . 2 . . . . . . . . 6212 1 504 . 1 1 43 43 LEU N N 15 120.2 0.2 . 1 . . . . . . . . 6212 1 505 . 1 1 44 44 PHE H H 1 8.15 0.01 . 1 . . . . . . . . 6212 1 506 . 1 1 44 44 PHE HA H 1 4.28 0.01 . 1 . . . . . . . . 6212 1 507 . 1 1 44 44 PHE HB2 H 1 3.24 0.01 . 1 . . . . . . . . 6212 1 508 . 1 1 44 44 PHE HB3 H 1 3.24 0.01 . 1 . . . . . . . . 6212 1 509 . 1 1 44 44 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 6212 1 510 . 1 1 44 44 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 6212 1 511 . 1 1 44 44 PHE HE1 H 1 7.35 0.01 . 1 . . . . . . . . 6212 1 512 . 1 1 44 44 PHE HE2 H 1 7.35 0.01 . 1 . . . . . . . . 6212 1 513 . 1 1 44 44 PHE CA C 13 60.6 0.2 . 1 . . . . . . . . 6212 1 514 . 1 1 44 44 PHE CB C 13 38.8 0.2 . 1 . . . . . . . . 6212 1 515 . 1 1 44 44 PHE CD1 C 13 132.4 0.2 . 1 . . . . . . . . 6212 1 516 . 1 1 44 44 PHE CD2 C 13 132.4 0.2 . 1 . . . . . . . . 6212 1 517 . 1 1 44 44 PHE CE1 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 518 . 1 1 44 44 PHE CE2 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 519 . 1 1 44 44 PHE N N 15 119.5 0.2 . 1 . . . . . . . . 6212 1 520 . 1 1 45 45 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 6212 1 521 . 1 1 45 45 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 6212 1 522 . 1 1 45 45 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 6212 1 523 . 1 1 45 45 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6212 1 524 . 1 1 45 45 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 6212 1 525 . 1 1 45 45 LYS HG3 H 1 1.64 0.01 . 2 . . . . . . . . 6212 1 526 . 1 1 45 45 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 6212 1 527 . 1 1 45 45 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 6212 1 528 . 1 1 45 45 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 6212 1 529 . 1 1 45 45 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 6212 1 530 . 1 1 45 45 LYS CA C 13 58.7 0.2 . 1 . . . . . . . . 6212 1 531 . 1 1 45 45 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6212 1 532 . 1 1 45 45 LYS CG C 13 25.1 0.2 . 1 . . . . . . . . 6212 1 533 . 1 1 45 45 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 534 . 1 1 45 45 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6212 1 535 . 1 1 45 45 LYS N N 15 119.3 0.2 . 1 . . . . . . . . 6212 1 536 . 1 1 46 46 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 6212 1 537 . 1 1 46 46 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 6212 1 538 . 1 1 46 46 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 6212 1 539 . 1 1 46 46 LEU HB3 H 1 1.86 0.01 . 2 . . . . . . . . 6212 1 540 . 1 1 46 46 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . 6212 1 541 . 1 1 46 46 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 6212 1 542 . 1 1 46 46 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 6212 1 543 . 1 1 46 46 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 6212 1 544 . 1 1 46 46 LEU HD21 H 1 0.90 0.01 . 2 . . . . . . . . 6212 1 545 . 1 1 46 46 LEU HD22 H 1 0.90 0.01 . 2 . . . . . . . . 6212 1 546 . 1 1 46 46 LEU HD23 H 1 0.90 0.01 . 2 . . . . . . . . 6212 1 547 . 1 1 46 46 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 6212 1 548 . 1 1 46 46 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 6212 1 549 . 1 1 46 46 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 6212 1 550 . 1 1 46 46 LEU CD1 C 13 23.8 0.2 . 2 . . . . . . . . 6212 1 551 . 1 1 46 46 LEU CD2 C 13 25.3 0.2 . 2 . . . . . . . . 6212 1 552 . 1 1 46 46 LEU N N 15 120.1 0.2 . 1 . . . . . . . . 6212 1 553 . 1 1 47 47 LYS H H 1 8.15 0.01 . 1 . . . . . . . . 6212 1 554 . 1 1 47 47 LYS HA H 1 3.99 0.01 . 1 . . . . . . . . 6212 1 555 . 1 1 47 47 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 6212 1 556 . 1 1 47 47 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 6212 1 557 . 1 1 47 47 LYS HG2 H 1 1.33 0.01 . 2 . . . . . . . . 6212 1 558 . 1 1 47 47 LYS HG3 H 1 1.50 0.01 . 2 . . . . . . . . 6212 1 559 . 1 1 47 47 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 6212 1 560 . 1 1 47 47 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 6212 1 561 . 1 1 47 47 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 6212 1 562 . 1 1 47 47 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 6212 1 563 . 1 1 47 47 LYS CA C 13 58.7 0.2 . 1 . . . . . . . . 6212 1 564 . 1 1 47 47 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6212 1 565 . 1 1 47 47 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 6212 1 566 . 1 1 47 47 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 6212 1 567 . 1 1 47 47 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6212 1 568 . 1 1 47 47 LYS N N 15 119.3 0.2 . 1 . . . . . . . . 6212 1 569 . 1 1 48 48 GLN H H 1 7.95 0.01 . 1 . . . . . . . . 6212 1 570 . 1 1 48 48 GLN HA H 1 4.06 0.01 . 1 . . . . . . . . 6212 1 571 . 1 1 48 48 GLN HB2 H 1 1.97 0.01 . 1 . . . . . . . . 6212 1 572 . 1 1 48 48 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 6212 1 573 . 1 1 48 48 GLN HG2 H 1 2.12 0.01 . 2 . . . . . . . . 6212 1 574 . 1 1 48 48 GLN HG3 H 1 2.17 0.01 . 2 . . . . . . . . 6212 1 575 . 1 1 48 48 GLN HE21 H 1 6.85 0.01 . 2 . . . . . . . . 6212 1 576 . 1 1 48 48 GLN HE22 H 1 7.19 0.01 . 2 . . . . . . . . 6212 1 577 . 1 1 48 48 GLN CA C 13 57.2 0.2 . 1 . . . . . . . . 6212 1 578 . 1 1 48 48 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 6212 1 579 . 1 1 48 48 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 6212 1 580 . 1 1 48 48 GLN N N 15 118.0 0.2 . 1 . . . . . . . . 6212 1 581 . 1 1 48 48 GLN NE2 N 15 112.5 0.2 . 1 . . . . . . . . 6212 1 582 . 1 1 49 49 MET H H 1 7.93 0.01 . 1 . . . . . . . . 6212 1 583 . 1 1 49 49 MET HA H 1 4.22 0.01 . 1 . . . . . . . . 6212 1 584 . 1 1 49 49 MET HB2 H 1 1.86 0.01 . 2 . . . . . . . . 6212 1 585 . 1 1 49 49 MET HB3 H 1 1.97 0.01 . 2 . . . . . . . . 6212 1 586 . 1 1 49 49 MET HG2 H 1 2.32 0.01 . 2 . . . . . . . . 6212 1 587 . 1 1 49 49 MET HG3 H 1 2.48 0.01 . 2 . . . . . . . . 6212 1 588 . 1 1 49 49 MET HE1 H 1 2.01 0.01 . 1 . . . . . . . . 6212 1 589 . 1 1 49 49 MET HE2 H 1 2.01 0.01 . 1 . . . . . . . . 6212 1 590 . 1 1 49 49 MET HE3 H 1 2.01 0.01 . 1 . . . . . . . . 6212 1 591 . 1 1 49 49 MET CA C 13 57.2 0.2 . 1 . . . . . . . . 6212 1 592 . 1 1 49 49 MET CB C 13 33.1 0.2 . 1 . . . . . . . . 6212 1 593 . 1 1 49 49 MET CG C 13 31.7 0.2 . 1 . . . . . . . . 6212 1 594 . 1 1 49 49 MET CE C 13 16.8 0.2 . 1 . . . . . . . . 6212 1 595 . 1 1 49 49 MET N N 15 118.3 0.2 . 1 . . . . . . . . 6212 1 596 . 1 1 50 50 TYR H H 1 8.04 0.01 . 1 . . . . . . . . 6212 1 597 . 1 1 50 50 TYR HA H 1 4.60 0.01 . 1 . . . . . . . . 6212 1 598 . 1 1 50 50 TYR HB2 H 1 2.89 0.01 . 2 . . . . . . . . 6212 1 599 . 1 1 50 50 TYR HB3 H 1 3.19 0.01 . 2 . . . . . . . . 6212 1 600 . 1 1 50 50 TYR HD1 H 1 7.15 0.01 . 1 . . . . . . . . 6212 1 601 . 1 1 50 50 TYR HD2 H 1 7.15 0.01 . 1 . . . . . . . . 6212 1 602 . 1 1 50 50 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 6212 1 603 . 1 1 50 50 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 6212 1 604 . 1 1 50 50 TYR CA C 13 58.4 0.2 . 1 . . . . . . . . 6212 1 605 . 1 1 50 50 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 6212 1 606 . 1 1 50 50 TYR CD1 C 13 132.9 0.2 . 1 . . . . . . . . 6212 1 607 . 1 1 50 50 TYR CD2 C 13 132.9 0.2 . 1 . . . . . . . . 6212 1 608 . 1 1 50 50 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 6212 1 609 . 1 1 50 50 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 6212 1 610 . 1 1 50 50 TYR N N 15 117.8 0.2 . 1 . . . . . . . . 6212 1 611 . 1 1 51 51 GLY H H 1 8.14 0.01 . 1 . . . . . . . . 6212 1 612 . 1 1 51 51 GLY HA2 H 1 3.96 0.01 . 1 . . . . . . . . 6212 1 613 . 1 1 51 51 GLY HA3 H 1 3.96 0.01 . 1 . . . . . . . . 6212 1 614 . 1 1 51 51 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 6212 1 615 . 1 1 51 51 GLY N N 15 109.0 0.2 . 1 . . . . . . . . 6212 1 616 . 1 1 52 52 LYS H H 1 8.02 0.01 . 1 . . . . . . . . 6212 1 617 . 1 1 52 52 LYS HA H 1 4.38 0.01 . 1 . . . . . . . . 6212 1 618 . 1 1 52 52 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 6212 1 619 . 1 1 52 52 LYS HB3 H 1 1.92 0.01 . 1 . . . . . . . . 6212 1 620 . 1 1 52 52 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 6212 1 621 . 1 1 52 52 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 6212 1 622 . 1 1 52 52 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 6212 1 623 . 1 1 52 52 LYS HD3 H 1 1.76 0.01 . 1 . . . . . . . . 6212 1 624 . 1 1 52 52 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 6212 1 625 . 1 1 52 52 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 6212 1 626 . 1 1 52 52 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 6212 1 627 . 1 1 52 52 LYS CB C 13 33.0 0.2 . 1 . . . . . . . . 6212 1 628 . 1 1 52 52 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 6212 1 629 . 1 1 52 52 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 630 . 1 1 52 52 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6212 1 631 . 1 1 52 52 LYS N N 15 120.0 0.2 . 1 . . . . . . . . 6212 1 632 . 1 1 53 53 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 6212 1 633 . 1 1 53 53 ALA HA H 1 4.30 0.01 . 1 . . . . . . . . 6212 1 634 . 1 1 53 53 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 6212 1 635 . 1 1 53 53 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 6212 1 636 . 1 1 53 53 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 6212 1 637 . 1 1 53 53 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 6212 1 638 . 1 1 53 53 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 6212 1 639 . 1 1 53 53 ALA N N 15 124.1 0.2 . 1 . . . . . . . . 6212 1 640 . 1 1 54 54 ASP H H 1 8.27 0.01 . 1 . . . . . . . . 6212 1 641 . 1 1 54 54 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 6212 1 642 . 1 1 54 54 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 6212 1 643 . 1 1 54 54 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 6212 1 644 . 1 1 54 54 ASP CA C 13 54.1 0.2 . 1 . . . . . . . . 6212 1 645 . 1 1 54 54 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 6212 1 646 . 1 1 54 54 ASP N N 15 118.7 0.2 . 1 . . . . . . . . 6212 1 647 . 1 1 55 55 MET H H 1 8.29 0.01 . 1 . . . . . . . . 6212 1 648 . 1 1 55 55 MET HA H 1 4.41 0.01 . 1 . . . . . . . . 6212 1 649 . 1 1 55 55 MET HB2 H 1 2.00 0.01 . 2 . . . . . . . . 6212 1 650 . 1 1 55 55 MET HB3 H 1 2.12 0.01 . 2 . . . . . . . . 6212 1 651 . 1 1 55 55 MET HG2 H 1 2.50 0.01 . 2 . . . . . . . . 6212 1 652 . 1 1 55 55 MET HG3 H 1 2.59 0.01 . 2 . . . . . . . . 6212 1 653 . 1 1 55 55 MET HE1 H 1 1.93 0.01 . 1 . . . . . . . . 6212 1 654 . 1 1 55 55 MET HE2 H 1 1.93 0.01 . 1 . . . . . . . . 6212 1 655 . 1 1 55 55 MET HE3 H 1 1.93 0.01 . 1 . . . . . . . . 6212 1 656 . 1 1 55 55 MET CA C 13 55.9 0.2 . 1 . . . . . . . . 6212 1 657 . 1 1 55 55 MET CB C 13 32.4 0.2 . 1 . . . . . . . . 6212 1 658 . 1 1 55 55 MET CG C 13 32.0 0.2 . 1 . . . . . . . . 6212 1 659 . 1 1 55 55 MET CE C 13 16.9 0.2 . 1 . . . . . . . . 6212 1 660 . 1 1 55 55 MET N N 15 120.4 0.2 . 1 . . . . . . . . 6212 1 661 . 1 1 56 56 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 6212 1 662 . 1 1 56 56 ASN HA H 1 4.70 0.01 . 1 . . . . . . . . 6212 1 663 . 1 1 56 56 ASN HB2 H 1 2.81 0.01 . 1 . . . . . . . . 6212 1 664 . 1 1 56 56 ASN HB3 H 1 2.81 0.01 . 1 . . . . . . . . 6212 1 665 . 1 1 56 56 ASN HD21 H 1 6.92 0.01 . 2 . . . . . . . . 6212 1 666 . 1 1 56 56 ASN HD22 H 1 7.68 0.01 . 2 . . . . . . . . 6212 1 667 . 1 1 56 56 ASN CA C 13 53.8 0.2 . 1 . . . . . . . . 6212 1 668 . 1 1 56 56 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 6212 1 669 . 1 1 56 56 ASN N N 15 118.6 0.2 . 1 . . . . . . . . 6212 1 670 . 1 1 56 56 ASN ND2 N 15 113.2 0.2 . 1 . . . . . . . . 6212 1 671 . 1 1 57 57 THR H H 1 7.84 0.01 . 1 . . . . . . . . 6212 1 672 . 1 1 57 57 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 6212 1 673 . 1 1 57 57 THR HB H 1 4.13 0.01 . 1 . . . . . . . . 6212 1 674 . 1 1 57 57 THR HG21 H 1 1.08 0.01 . 1 . . . . . . . . 6212 1 675 . 1 1 57 57 THR HG22 H 1 1.08 0.01 . 1 . . . . . . . . 6212 1 676 . 1 1 57 57 THR HG23 H 1 1.08 0.01 . 1 . . . . . . . . 6212 1 677 . 1 1 57 57 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 6212 1 678 . 1 1 57 57 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 6212 1 679 . 1 1 57 57 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 6212 1 680 . 1 1 57 57 THR N N 15 112.9 0.2 . 1 . . . . . . . . 6212 1 681 . 1 1 58 58 PHE H H 1 8.13 0.01 . 1 . . . . . . . . 6212 1 682 . 1 1 58 58 PHE HA H 1 4.83 0.01 . 1 . . . . . . . . 6212 1 683 . 1 1 58 58 PHE HB2 H 1 2.96 0.01 . 2 . . . . . . . . 6212 1 684 . 1 1 58 58 PHE HB3 H 1 3.12 0.01 . 2 . . . . . . . . 6212 1 685 . 1 1 58 58 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 6212 1 686 . 1 1 58 58 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 6212 1 687 . 1 1 58 58 PHE HE1 H 1 7.30 0.01 . 1 . . . . . . . . 6212 1 688 . 1 1 58 58 PHE HE2 H 1 7.30 0.01 . 1 . . . . . . . . 6212 1 689 . 1 1 58 58 PHE CA C 13 55.7 0.2 . 1 . . . . . . . . 6212 1 690 . 1 1 58 58 PHE CB C 13 39.1 0.2 . 1 . . . . . . . . 6212 1 691 . 1 1 58 58 PHE CE1 C 13 131.2 0.2 . 1 . . . . . . . . 6212 1 692 . 1 1 58 58 PHE CE2 C 13 131.2 0.2 . 1 . . . . . . . . 6212 1 693 . 1 1 58 58 PHE N N 15 122.7 0.2 . 1 . . . . . . . . 6212 1 694 . 1 1 59 59 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 6212 1 695 . 1 1 59 59 PRO HB2 H 1 1.70 0.01 . 2 . . . . . . . . 6212 1 696 . 1 1 59 59 PRO HB3 H 1 2.16 0.01 . 2 . . . . . . . . 6212 1 697 . 1 1 59 59 PRO HG2 H 1 1.91 0.01 . 1 . . . . . . . . 6212 1 698 . 1 1 59 59 PRO HG3 H 1 1.91 0.01 . 1 . . . . . . . . 6212 1 699 . 1 1 59 59 PRO HD2 H 1 3.41 0.01 . 2 . . . . . . . . 6212 1 700 . 1 1 59 59 PRO HD3 H 1 3.71 0.01 . 2 . . . . . . . . 6212 1 701 . 1 1 59 59 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 6212 1 702 . 1 1 59 59 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6212 1 703 . 1 1 59 59 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 6212 1 704 . 1 1 59 59 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 6212 1 705 . 1 1 60 60 ASN H H 1 8.34 0.01 . 1 . . . . . . . . 6212 1 706 . 1 1 60 60 ASN HA H 1 4.65 0.01 . 1 . . . . . . . . 6212 1 707 . 1 1 60 60 ASN HB2 H 1 2.72 0.01 . 2 . . . . . . . . 6212 1 708 . 1 1 60 60 ASN HB3 H 1 2.78 0.01 . 2 . . . . . . . . 6212 1 709 . 1 1 60 60 ASN HD21 H 1 6.91 0.01 . 2 . . . . . . . . 6212 1 710 . 1 1 60 60 ASN HD22 H 1 7.59 0.01 . 2 . . . . . . . . 6212 1 711 . 1 1 60 60 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 6212 1 712 . 1 1 60 60 ASN CB C 13 38.7 0.2 . 1 . . . . . . . . 6212 1 713 . 1 1 60 60 ASN N N 15 117.7 0.2 . 1 . . . . . . . . 6212 1 714 . 1 1 60 60 ASN ND2 N 15 112.9 0.2 . 1 . . . . . . . . 6212 1 715 . 1 1 61 61 PHE H H 1 8.07 0.01 . 1 . . . . . . . . 6212 1 716 . 1 1 61 61 PHE HA H 1 4.63 0.01 . 1 . . . . . . . . 6212 1 717 . 1 1 61 61 PHE HB2 H 1 2.95 0.01 . 2 . . . . . . . . 6212 1 718 . 1 1 61 61 PHE HB3 H 1 3.04 0.01 . 2 . . . . . . . . 6212 1 719 . 1 1 61 61 PHE HD1 H 1 7.15 0.01 . 1 . . . . . . . . 6212 1 720 . 1 1 61 61 PHE HD2 H 1 7.15 0.01 . 1 . . . . . . . . 6212 1 721 . 1 1 61 61 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 6212 1 722 . 1 1 61 61 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 6212 1 723 . 1 1 61 61 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 6212 1 724 . 1 1 61 61 PHE CB C 13 39.6 0.2 . 1 . . . . . . . . 6212 1 725 . 1 1 61 61 PHE CD1 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 726 . 1 1 61 61 PHE CD2 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 727 . 1 1 61 61 PHE N N 15 120.3 0.2 . 1 . . . . . . . . 6212 1 728 . 1 1 62 62 THR H H 1 7.96 0.01 . 1 . . . . . . . . 6212 1 729 . 1 1 62 62 THR HA H 1 4.30 0.01 . 1 . . . . . . . . 6212 1 730 . 1 1 62 62 THR HB H 1 4.11 0.01 . 1 . . . . . . . . 6212 1 731 . 1 1 62 62 THR HG21 H 1 1.11 0.01 . 1 . . . . . . . . 6212 1 732 . 1 1 62 62 THR HG22 H 1 1.11 0.01 . 1 . . . . . . . . 6212 1 733 . 1 1 62 62 THR HG23 H 1 1.11 0.01 . 1 . . . . . . . . 6212 1 734 . 1 1 62 62 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 6212 1 735 . 1 1 62 62 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 6212 1 736 . 1 1 62 62 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 6212 1 737 . 1 1 62 62 THR N N 15 115.7 0.2 . 1 . . . . . . . . 6212 1 738 . 1 1 63 63 PHE H H 1 8.17 0.01 . 1 . . . . . . . . 6212 1 739 . 1 1 63 63 PHE HA H 1 4.56 0.01 . 1 . . . . . . . . 6212 1 740 . 1 1 63 63 PHE HB2 H 1 2.98 0.01 . 2 . . . . . . . . 6212 1 741 . 1 1 63 63 PHE HB3 H 1 3.13 0.01 . 2 . . . . . . . . 6212 1 742 . 1 1 63 63 PHE HD1 H 1 7.24 0.01 . 1 . . . . . . . . 6212 1 743 . 1 1 63 63 PHE HD2 H 1 7.24 0.01 . 1 . . . . . . . . 6212 1 744 . 1 1 63 63 PHE HE1 H 1 7.31 0.01 . 1 . . . . . . . . 6212 1 745 . 1 1 63 63 PHE HE2 H 1 7.31 0.01 . 1 . . . . . . . . 6212 1 746 . 1 1 63 63 PHE CA C 13 57.7 0.2 . 1 . . . . . . . . 6212 1 747 . 1 1 63 63 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 6212 1 748 . 1 1 63 63 PHE CD1 C 13 131.6 0.2 . 1 . . . . . . . . 6212 1 749 . 1 1 63 63 PHE CD2 C 13 131.6 0.2 . 1 . . . . . . . . 6212 1 750 . 1 1 63 63 PHE CE1 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 751 . 1 1 63 63 PHE CE2 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 752 . 1 1 63 63 PHE N N 15 121.8 0.2 . 1 . . . . . . . . 6212 1 753 . 1 1 64 64 GLU H H 1 8.24 0.01 . 1 . . . . . . . . 6212 1 754 . 1 1 64 64 GLU HA H 1 4.30 0.01 . 1 . . . . . . . . 6212 1 755 . 1 1 64 64 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 6212 1 756 . 1 1 64 64 GLU HB3 H 1 2.00 0.01 . 2 . . . . . . . . 6212 1 757 . 1 1 64 64 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 6212 1 758 . 1 1 64 64 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 6212 1 759 . 1 1 64 64 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . 6212 1 760 . 1 1 64 64 GLU CB C 13 30.5 0.2 . 1 . . . . . . . . 6212 1 761 . 1 1 64 64 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6212 1 762 . 1 1 64 64 GLU N N 15 121.9 0.2 . 1 . . . . . . . . 6212 1 763 . 1 1 65 65 ASP H H 1 8.30 0.01 . 1 . . . . . . . . 6212 1 764 . 1 1 65 65 ASP HA H 1 4.80 0.01 . 1 . . . . . . . . 6212 1 765 . 1 1 65 65 ASP HB2 H 1 2.53 0.01 . 2 . . . . . . . . 6212 1 766 . 1 1 65 65 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 6212 1 767 . 1 1 65 65 ASP CA C 13 52.3 0.2 . 1 . . . . . . . . 6212 1 768 . 1 1 65 65 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 6212 1 769 . 1 1 65 65 ASP N N 15 123.1 0.2 . 1 . . . . . . . . 6212 1 770 . 1 1 66 66 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 6212 1 771 . 1 1 66 66 PRO HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6212 1 772 . 1 1 66 66 PRO HB3 H 1 2.24 0.01 . 2 . . . . . . . . 6212 1 773 . 1 1 66 66 PRO HG2 H 1 2.00 0.01 . 1 . . . . . . . . 6212 1 774 . 1 1 66 66 PRO HG3 H 1 2.00 0.01 . 1 . . . . . . . . 6212 1 775 . 1 1 66 66 PRO HD2 H 1 3.81 0.01 . 2 . . . . . . . . 6212 1 776 . 1 1 66 66 PRO HD3 H 1 3.87 0.01 . 2 . . . . . . . . 6212 1 777 . 1 1 66 66 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 6212 1 778 . 1 1 66 66 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 6212 1 779 . 1 1 66 66 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 6212 1 780 . 1 1 66 66 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 6212 1 781 . 1 1 67 67 LYS H H 1 8.40 0.01 . 1 . . . . . . . . 6212 1 782 . 1 1 67 67 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 6212 1 783 . 1 1 67 67 LYS HB2 H 1 1.71 0.01 . 1 . . . . . . . . 6212 1 784 . 1 1 67 67 LYS HB3 H 1 1.71 0.01 . 1 . . . . . . . . 6212 1 785 . 1 1 67 67 LYS HG2 H 1 1.31 0.01 . 1 . . . . . . . . 6212 1 786 . 1 1 67 67 LYS HG3 H 1 1.31 0.01 . 1 . . . . . . . . 6212 1 787 . 1 1 67 67 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 6212 1 788 . 1 1 67 67 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 6212 1 789 . 1 1 67 67 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 6212 1 790 . 1 1 67 67 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 6212 1 791 . 1 1 67 67 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 6212 1 792 . 1 1 67 67 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 6212 1 793 . 1 1 67 67 LYS CG C 13 24.6 0.2 . 1 . . . . . . . . 6212 1 794 . 1 1 67 67 LYS CD C 13 29.5 0.2 . 1 . . . . . . . . 6212 1 795 . 1 1 67 67 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6212 1 796 . 1 1 67 67 LYS N N 15 120.2 0.2 . 1 . . . . . . . . 6212 1 797 . 1 1 68 68 PHE H H 1 8.03 0.01 . 1 . . . . . . . . 6212 1 798 . 1 1 68 68 PHE HA H 1 4.64 0.01 . 1 . . . . . . . . 6212 1 799 . 1 1 68 68 PHE HB2 H 1 3.01 0.01 . 2 . . . . . . . . 6212 1 800 . 1 1 68 68 PHE HB3 H 1 3.18 0.01 . 2 . . . . . . . . 6212 1 801 . 1 1 68 68 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 6212 1 802 . 1 1 68 68 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 6212 1 803 . 1 1 68 68 PHE HE1 H 1 7.35 0.01 . 1 . . . . . . . . 6212 1 804 . 1 1 68 68 PHE HE2 H 1 7.35 0.01 . 1 . . . . . . . . 6212 1 805 . 1 1 68 68 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 6212 1 806 . 1 1 68 68 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 6212 1 807 . 1 1 68 68 PHE CD1 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 808 . 1 1 68 68 PHE CD2 C 13 131.5 0.2 . 1 . . . . . . . . 6212 1 809 . 1 1 68 68 PHE CE1 C 13 131.6 0.2 . 1 . . . . . . . . 6212 1 810 . 1 1 68 68 PHE CE2 C 13 131.6 0.2 . 1 . . . . . . . . 6212 1 811 . 1 1 68 68 PHE N N 15 120.2 0.2 . 1 . . . . . . . . 6212 1 812 . 1 1 69 69 GLU H H 1 8.21 0.01 . 1 . . . . . . . . 6212 1 813 . 1 1 69 69 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 6212 1 814 . 1 1 69 69 GLU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 6212 1 815 . 1 1 69 69 GLU HB3 H 1 2.00 0.01 . 2 . . . . . . . . 6212 1 816 . 1 1 69 69 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 6212 1 817 . 1 1 69 69 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 6212 1 818 . 1 1 69 69 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 6212 1 819 . 1 1 69 69 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 6212 1 820 . 1 1 69 69 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6212 1 821 . 1 1 69 69 GLU N N 15 122.4 0.2 . 1 . . . . . . . . 6212 1 822 . 1 1 70 70 VAL H H 1 8.24 0.01 . 1 . . . . . . . . 6212 1 823 . 1 1 70 70 VAL HA H 1 4.12 0.01 . 1 . . . . . . . . 6212 1 824 . 1 1 70 70 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 6212 1 825 . 1 1 70 70 VAL HG11 H 1 0.99 0.01 . 1 . . . . . . . . 6212 1 826 . 1 1 70 70 VAL HG12 H 1 0.99 0.01 . 1 . . . . . . . . 6212 1 827 . 1 1 70 70 VAL HG13 H 1 0.99 0.01 . 1 . . . . . . . . 6212 1 828 . 1 1 70 70 VAL HG21 H 1 0.99 0.01 . 1 . . . . . . . . 6212 1 829 . 1 1 70 70 VAL HG22 H 1 0.99 0.01 . 1 . . . . . . . . 6212 1 830 . 1 1 70 70 VAL HG23 H 1 0.99 0.01 . 1 . . . . . . . . 6212 1 831 . 1 1 70 70 VAL CA C 13 62.3 0.2 . 1 . . . . . . . . 6212 1 832 . 1 1 70 70 VAL CB C 13 32.7 0.2 . 1 . . . . . . . . 6212 1 833 . 1 1 70 70 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . 6212 1 834 . 1 1 70 70 VAL CG2 C 13 20.8 0.2 . 1 . . . . . . . . 6212 1 835 . 1 1 70 70 VAL N N 15 122.2 0.2 . 1 . . . . . . . . 6212 1 836 . 1 1 71 71 VAL H H 1 8.24 0.01 . 1 . . . . . . . . 6212 1 837 . 1 1 71 71 VAL HA H 1 4.17 0.01 . 1 . . . . . . . . 6212 1 838 . 1 1 71 71 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 6212 1 839 . 1 1 71 71 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 6212 1 840 . 1 1 71 71 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 6212 1 841 . 1 1 71 71 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 6212 1 842 . 1 1 71 71 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 6212 1 843 . 1 1 71 71 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 6212 1 844 . 1 1 71 71 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 6212 1 845 . 1 1 71 71 VAL CA C 13 61.9 0.2 . 1 . . . . . . . . 6212 1 846 . 1 1 71 71 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 6212 1 847 . 1 1 71 71 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 6212 1 848 . 1 1 71 71 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . 6212 1 849 . 1 1 71 71 VAL N N 15 124.8 0.2 . 1 . . . . . . . . 6212 1 850 . 1 1 72 72 GLU H H 1 8.50 0.01 . 1 . . . . . . . . 6212 1 851 . 1 1 72 72 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 6212 1 852 . 1 1 72 72 GLU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 6212 1 853 . 1 1 72 72 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 6212 1 854 . 1 1 72 72 GLU HG2 H 1 2.22 0.01 . 2 . . . . . . . . 6212 1 855 . 1 1 72 72 GLU HG3 H 1 2.29 0.01 . 2 . . . . . . . . 6212 1 856 . 1 1 72 72 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 6212 1 857 . 1 1 72 72 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 6212 1 858 . 1 1 72 72 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6212 1 859 . 1 1 72 72 GLU N N 15 125.5 0.2 . 1 . . . . . . . . 6212 1 860 . 1 1 73 73 LYS H H 1 8.42 0.01 . 1 . . . . . . . . 6212 1 861 . 1 1 73 73 LYS HA H 1 4.63 0.01 . 1 . . . . . . . . 6212 1 862 . 1 1 73 73 LYS HB2 H 1 1.65 0.01 . 2 . . . . . . . . 6212 1 863 . 1 1 73 73 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6212 1 864 . 1 1 73 73 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 6212 1 865 . 1 1 73 73 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 6212 1 866 . 1 1 73 73 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 6212 1 867 . 1 1 73 73 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 6212 1 868 . 1 1 73 73 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 6212 1 869 . 1 1 73 73 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 6212 1 870 . 1 1 73 73 LYS CA C 13 54.0 0.2 . 1 . . . . . . . . 6212 1 871 . 1 1 73 73 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 6212 1 872 . 1 1 73 73 LYS CG C 13 24.6 0.2 . 1 . . . . . . . . 6212 1 873 . 1 1 73 73 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6212 1 874 . 1 1 73 73 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6212 1 875 . 1 1 73 73 LYS N N 15 124.2 0.2 . 1 . . . . . . . . 6212 1 876 . 1 1 74 74 PRO HA H 1 4.48 0.01 . 1 . . . . . . . . 6212 1 877 . 1 1 74 74 PRO HB2 H 1 1.97 0.01 . 2 . . . . . . . . 6212 1 878 . 1 1 74 74 PRO HB3 H 1 2.36 0.01 . 2 . . . . . . . . 6212 1 879 . 1 1 74 74 PRO HG2 H 1 2.08 0.01 . 1 . . . . . . . . 6212 1 880 . 1 1 74 74 PRO HG3 H 1 2.08 0.01 . 1 . . . . . . . . 6212 1 881 . 1 1 74 74 PRO HD2 H 1 3.67 0.01 . 2 . . . . . . . . 6212 1 882 . 1 1 74 74 PRO HD3 H 1 3.85 0.01 . 2 . . . . . . . . 6212 1 883 . 1 1 74 74 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 6212 1 884 . 1 1 74 74 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 6212 1 885 . 1 1 74 74 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 6212 1 886 . 1 1 74 74 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 6212 1 887 . 1 1 75 75 GLN H H 1 8.59 0.01 . 1 . . . . . . . . 6212 1 888 . 1 1 75 75 GLN HA H 1 4.38 0.01 . 1 . . . . . . . . 6212 1 889 . 1 1 75 75 GLN HB2 H 1 2.02 0.01 . 2 . . . . . . . . 6212 1 890 . 1 1 75 75 GLN HB3 H 1 2.20 0.01 . 2 . . . . . . . . 6212 1 891 . 1 1 75 75 GLN HG2 H 1 2.46 0.01 . 1 . . . . . . . . 6212 1 892 . 1 1 75 75 GLN HG3 H 1 2.46 0.01 . 1 . . . . . . . . 6212 1 893 . 1 1 75 75 GLN HE21 H 1 6.89 0.01 . 2 . . . . . . . . 6212 1 894 . 1 1 75 75 GLN HE22 H 1 7.66 0.01 . 2 . . . . . . . . 6212 1 895 . 1 1 75 75 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 6212 1 896 . 1 1 75 75 GLN CB C 13 29.6 0.2 . 1 . . . . . . . . 6212 1 897 . 1 1 75 75 GLN CG C 13 33.8 0.2 . 1 . . . . . . . . 6212 1 898 . 1 1 75 75 GLN N N 15 121.3 0.2 . 1 . . . . . . . . 6212 1 899 . 1 1 75 75 GLN NE2 N 15 113.0 0.2 . 1 . . . . . . . . 6212 1 900 . 1 1 76 76 SER H H 1 8.02 0.01 . 1 . . . . . . . . 6212 1 901 . 1 1 76 76 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 6212 1 902 . 1 1 76 76 SER HB2 H 1 3.89 0.01 . 1 . . . . . . . . 6212 1 903 . 1 1 76 76 SER HB3 H 1 3.89 0.01 . 1 . . . . . . . . 6212 1 904 . 1 1 76 76 SER CA C 13 59.9 0.2 . 1 . . . . . . . . 6212 1 905 . 1 1 76 76 SER CB C 13 64.8 0.2 . 1 . . . . . . . . 6212 1 906 . 1 1 76 76 SER N N 15 122.7 0.2 . 1 . . . . . . . . 6212 1 stop_ save_