data_6585 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6585 _Entry.Title ; Resonance assignment of the At1g24000.1 protein from Arabidopsis Thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-11 _Entry.Accession_date 2005-04-11 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 jikui song . . . 6585 2 Qin Zhao . . . 6585 3 'Won Bae' Jeon . . . 6585 4 John Markley . L. . 6585 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6585 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 6585 '15N chemical shifts' 116 6585 '1H chemical shifts' 665 6585 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 2 . . 2009-07-01 2005-04-11 update BMRB 'added time domain data' 6585 1 . . 2005-10-24 2005-04-11 original author 'original release' 6585 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6585 _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 '1H, 15N and 13C Resonance Assignments of the Putative Bet v 1 Family Protein At1g24000.1 from Arabidopsis Thaliana' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 335 _Citation.Page_last 335 _Citation.Year 2005 _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 Jikui Song . . . 6585 1 2 Qin Zhao . . . 6585 1 3 Min Lee . S. . 6585 1 4 John Markley . L. . 6585 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6585 _Assembly.ID 1 _Assembly.Name At1g24000.1 _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 At1g24000.1 1 $At1g24000 . . yes native no no . . . 6585 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At1g24000 _Entity.Sf_category entity _Entity.Sf_framecode At1g24000 _Entity.Entry_ID 6585 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At1g24000.1 _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 ; STLKGALSVKFDVKCPADKF FSAFVEDTNRPFEKNGKTEI EAVDLVKKTMTIQMSGSEIQ KYFKTLKGSIAVTPIGVGDG SHVVWTFHFEKVHKDIDDPH SIIDESVKYFKKLDEAILNF KE ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VJH . "Crystal Structure Of Gene Product Of At1g24000 From Arabidopsis Thaliana" . . . . . 100.00 122 98.36 98.36 3.93e-79 . . . . 6585 1 2 no PDB 2Q3Q . "Ensemble Refinement Of The Protein Crystal Structure Of At1g24000 From Arabidopsis Thaliana" . . . . . 100.00 122 98.36 98.36 3.93e-79 . . . . 6585 1 3 no GB AEE30464 . "uncharacterized protein AT1G24000 [Arabidopsis thaliana]" . . . . . 99.18 122 100.00 100.00 7.55e-81 . . . . 6585 1 4 no REF NP_173811 . "major latex family protein [Arabidopsis thaliana]" . . . . . 99.18 122 100.00 100.00 7.55e-81 . . . . 6585 1 5 no SP P0C0B0 . "RecName: Full=Uncharacterized protein At1g24000 [Arabidopsis thaliana]" . . . . . 99.18 122 100.00 100.00 7.55e-81 . . . . 6585 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 . SER . 6585 1 2 . THR . 6585 1 3 . LEU . 6585 1 4 . LYS . 6585 1 5 . GLY . 6585 1 6 . ALA . 6585 1 7 . LEU . 6585 1 8 . SER . 6585 1 9 . VAL . 6585 1 10 . LYS . 6585 1 11 . PHE . 6585 1 12 . ASP . 6585 1 13 . VAL . 6585 1 14 . LYS . 6585 1 15 . CYS . 6585 1 16 . PRO . 6585 1 17 . ALA . 6585 1 18 . ASP . 6585 1 19 . LYS . 6585 1 20 . PHE . 6585 1 21 . PHE . 6585 1 22 . SER . 6585 1 23 . ALA . 6585 1 24 . PHE . 6585 1 25 . VAL . 6585 1 26 . GLU . 6585 1 27 . ASP . 6585 1 28 . THR . 6585 1 29 . ASN . 6585 1 30 . ARG . 6585 1 31 . PRO . 6585 1 32 . PHE . 6585 1 33 . GLU . 6585 1 34 . LYS . 6585 1 35 . ASN . 6585 1 36 . GLY . 6585 1 37 . LYS . 6585 1 38 . THR . 6585 1 39 . GLU . 6585 1 40 . ILE . 6585 1 41 . GLU . 6585 1 42 . ALA . 6585 1 43 . VAL . 6585 1 44 . ASP . 6585 1 45 . LEU . 6585 1 46 . VAL . 6585 1 47 . LYS . 6585 1 48 . LYS . 6585 1 49 . THR . 6585 1 50 . MET . 6585 1 51 . THR . 6585 1 52 . ILE . 6585 1 53 . GLN . 6585 1 54 . MET . 6585 1 55 . SER . 6585 1 56 . GLY . 6585 1 57 . SER . 6585 1 58 . GLU . 6585 1 59 . ILE . 6585 1 60 . GLN . 6585 1 61 . LYS . 6585 1 62 . TYR . 6585 1 63 . PHE . 6585 1 64 . LYS . 6585 1 65 . THR . 6585 1 66 . LEU . 6585 1 67 . LYS . 6585 1 68 . GLY . 6585 1 69 . SER . 6585 1 70 . ILE . 6585 1 71 . ALA . 6585 1 72 . VAL . 6585 1 73 . THR . 6585 1 74 . PRO . 6585 1 75 . ILE . 6585 1 76 . GLY . 6585 1 77 . VAL . 6585 1 78 . GLY . 6585 1 79 . ASP . 6585 1 80 . GLY . 6585 1 81 . SER . 6585 1 82 . HIS . 6585 1 83 . VAL . 6585 1 84 . VAL . 6585 1 85 . TRP . 6585 1 86 . THR . 6585 1 87 . PHE . 6585 1 88 . HIS . 6585 1 89 . PHE . 6585 1 90 . GLU . 6585 1 91 . LYS . 6585 1 92 . VAL . 6585 1 93 . HIS . 6585 1 94 . LYS . 6585 1 95 . ASP . 6585 1 96 . ILE . 6585 1 97 . ASP . 6585 1 98 . ASP . 6585 1 99 . PRO . 6585 1 100 . HIS . 6585 1 101 . SER . 6585 1 102 . ILE . 6585 1 103 . ILE . 6585 1 104 . ASP . 6585 1 105 . GLU . 6585 1 106 . SER . 6585 1 107 . VAL . 6585 1 108 . LYS . 6585 1 109 . TYR . 6585 1 110 . PHE . 6585 1 111 . LYS . 6585 1 112 . LYS . 6585 1 113 . LEU . 6585 1 114 . ASP . 6585 1 115 . GLU . 6585 1 116 . ALA . 6585 1 117 . ILE . 6585 1 118 . LEU . 6585 1 119 . ASN . 6585 1 120 . PHE . 6585 1 121 . LYS . 6585 1 122 . GLU . 6585 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 . SER 1 1 6585 1 . THR 2 2 6585 1 . LEU 3 3 6585 1 . LYS 4 4 6585 1 . GLY 5 5 6585 1 . ALA 6 6 6585 1 . LEU 7 7 6585 1 . SER 8 8 6585 1 . VAL 9 9 6585 1 . LYS 10 10 6585 1 . PHE 11 11 6585 1 . ASP 12 12 6585 1 . VAL 13 13 6585 1 . LYS 14 14 6585 1 . CYS 15 15 6585 1 . PRO 16 16 6585 1 . ALA 17 17 6585 1 . ASP 18 18 6585 1 . LYS 19 19 6585 1 . PHE 20 20 6585 1 . PHE 21 21 6585 1 . SER 22 22 6585 1 . ALA 23 23 6585 1 . PHE 24 24 6585 1 . VAL 25 25 6585 1 . GLU 26 26 6585 1 . ASP 27 27 6585 1 . THR 28 28 6585 1 . ASN 29 29 6585 1 . ARG 30 30 6585 1 . PRO 31 31 6585 1 . PHE 32 32 6585 1 . GLU 33 33 6585 1 . LYS 34 34 6585 1 . ASN 35 35 6585 1 . GLY 36 36 6585 1 . LYS 37 37 6585 1 . THR 38 38 6585 1 . GLU 39 39 6585 1 . ILE 40 40 6585 1 . GLU 41 41 6585 1 . ALA 42 42 6585 1 . VAL 43 43 6585 1 . ASP 44 44 6585 1 . LEU 45 45 6585 1 . VAL 46 46 6585 1 . LYS 47 47 6585 1 . LYS 48 48 6585 1 . THR 49 49 6585 1 . MET 50 50 6585 1 . THR 51 51 6585 1 . ILE 52 52 6585 1 . GLN 53 53 6585 1 . MET 54 54 6585 1 . SER 55 55 6585 1 . GLY 56 56 6585 1 . SER 57 57 6585 1 . GLU 58 58 6585 1 . ILE 59 59 6585 1 . GLN 60 60 6585 1 . LYS 61 61 6585 1 . TYR 62 62 6585 1 . PHE 63 63 6585 1 . LYS 64 64 6585 1 . THR 65 65 6585 1 . LEU 66 66 6585 1 . LYS 67 67 6585 1 . GLY 68 68 6585 1 . SER 69 69 6585 1 . ILE 70 70 6585 1 . ALA 71 71 6585 1 . VAL 72 72 6585 1 . THR 73 73 6585 1 . PRO 74 74 6585 1 . ILE 75 75 6585 1 . GLY 76 76 6585 1 . VAL 77 77 6585 1 . GLY 78 78 6585 1 . ASP 79 79 6585 1 . GLY 80 80 6585 1 . SER 81 81 6585 1 . HIS 82 82 6585 1 . VAL 83 83 6585 1 . VAL 84 84 6585 1 . TRP 85 85 6585 1 . THR 86 86 6585 1 . PHE 87 87 6585 1 . HIS 88 88 6585 1 . PHE 89 89 6585 1 . GLU 90 90 6585 1 . LYS 91 91 6585 1 . VAL 92 92 6585 1 . HIS 93 93 6585 1 . LYS 94 94 6585 1 . ASP 95 95 6585 1 . ILE 96 96 6585 1 . ASP 97 97 6585 1 . ASP 98 98 6585 1 . PRO 99 99 6585 1 . HIS 100 100 6585 1 . SER 101 101 6585 1 . ILE 102 102 6585 1 . ILE 103 103 6585 1 . ASP 104 104 6585 1 . GLU 105 105 6585 1 . SER 106 106 6585 1 . VAL 107 107 6585 1 . LYS 108 108 6585 1 . TYR 109 109 6585 1 . PHE 110 110 6585 1 . LYS 111 111 6585 1 . LYS 112 112 6585 1 . LEU 113 113 6585 1 . ASP 114 114 6585 1 . GLU 115 115 6585 1 . ALA 116 116 6585 1 . ILE 117 117 6585 1 . LEU 118 118 6585 1 . ASN 119 119 6585 1 . PHE 120 120 6585 1 . LYS 121 121 6585 1 . GLU 122 122 6585 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 6585 _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 $At1g24000 . 3702 organism . 'Arabidopsis Thaliana' 'Arabidopsis Thaliana' . . Eukaryota Viridiplantae Arabidopsis Thaliana . . . . . . . . . . . . . . . . . . . . . 6585 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 6585 _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 $At1g24000 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6585 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6585 _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 At1g24000.1 '[U-15N; U-13C]' 1 $assembly 1 $At1g24000 . . 0.2 . . mM 0.1 . . . 6585 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 6585 _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 7.0 0.1 pH 6585 1 pressure 1 0.1 atm 6585 1 temperature 298 0.1 K 6585 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6585 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6585 _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 HNCACB yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 2 CBCA(CO)NH yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 3 HNCO yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 4 HCCHTOCSY yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 5 CCONH yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 6 HCCONH yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 7 '3D N15NOESY' yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 8 HNCA yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 9 '1H-13C HSQC' yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 10 HBACONH yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 11 '1H-15N HSQC' yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6585 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hncacb.fid/' . . . . . . . 6585 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hncacb.fid/' . . . . . . . 6585 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hncacb.fid/' . . . . . . . 6585 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_cbcaconh.fid/' . . . . . . . 6585 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_cbcaconh.fid/' . . . . . . . 6585 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_cbcaconh.fid/' . . . . . . . 6585 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hnco.fid/' . . . . . . . 6585 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hnco.fid/' . . . . . . . 6585 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hnco.fid/' . . . . . . . 6585 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hcchtocsy.fid/' . . . . . . . 6585 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hcchtocsy.fid/' . . . . . . . 6585 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hcchtocsy.fid/' . . . . . . . 6585 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_cconh.fid/' . . . . . . . 6585 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_cconh.fid/' . . . . . . . 6585 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_cconh.fid/' . . . . . . . 6585 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hcconh.fid/' . . . . . . . 6585 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hcconh.fid/' . . . . . . . 6585 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hcconh.fid/' . . . . . . . 6585 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D N15NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_n15noe.fid/' . . . . . . . 6585 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_n15noe.fid/' . . . . . . . 6585 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_n15noe.fid/' . . . . . . . 6585 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hnca.fid/' . . . . . . . 6585 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hnca.fid/' . . . . . . . 6585 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hnca.fid/' . . . . . . . 6585 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_c13hsqc.fid/' . . . . . . . 6585 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_c13hsqc.fid/' . . . . . . . 6585 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_c13hsqc.fid/' . . . . . . . 6585 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hbaconh.fid/' . . . . . . . 6585 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hbaconh.fid/' . . . . . . . 6585 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_hbaconh.fid/' . . . . . . . 6585 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6585 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_Nhsqc.fid/' . . . . . . . 6585 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_Nhsqc.fid/' . . . . . . . 6585 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6585/timedomain_data/at1g24000_Nhsqc.fid/' . . . . . . . 6585 11 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 6585 _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 . . . . . . . . . 6585 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6585 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6585 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 6585 _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 HNCACB 1 $sample_1 isotropic 6585 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 2 2 THR HA H 1 4.578 0.05 . 1 . . . . 2 T HA . 6585 1 2 . 1 1 2 2 THR HB H 1 4.394 0.05 . 1 . . . . 2 T HB . 6585 1 3 . 1 1 2 2 THR HG21 H 1 1.324 0.05 . 2 . . . . 2 T QG2 . 6585 1 4 . 1 1 2 2 THR HG22 H 1 1.324 0.05 . 2 . . . . 2 T QG2 . 6585 1 5 . 1 1 2 2 THR HG23 H 1 1.324 0.05 . 2 . . . . 2 T QG2 . 6585 1 6 . 1 1 2 2 THR C C 13 174.289 0.10 . 1 . . . . 2 T C . 6585 1 7 . 1 1 2 2 THR CA C 13 61.612 0.10 . 1 . . . . 2 T CA . 6585 1 8 . 1 1 2 2 THR CB C 13 69.757 0.28 . 1 . . . . 2 T CB . 6585 1 9 . 1 1 2 2 THR CG2 C 13 21.489 0.11 . 1 . . . . 2 T CG2 . 6585 1 10 . 1 1 3 3 LEU H H 1 8.531 0.05 . 1 . . . . 3 L HN . 6585 1 11 . 1 1 3 3 LEU HA H 1 4.455 0.05 . 1 . . . . 3 L HA . 6585 1 12 . 1 1 3 3 LEU HB2 H 1 1.879 0.05 . 2 . . . . 3 L HB2 . 6585 1 13 . 1 1 3 3 LEU HD11 H 1 0.746 0.05 . 2 . . . . 3 L QD1 . 6585 1 14 . 1 1 3 3 LEU HD12 H 1 0.746 0.05 . 2 . . . . 3 L QD1 . 6585 1 15 . 1 1 3 3 LEU HD13 H 1 0.746 0.05 . 2 . . . . 3 L QD1 . 6585 1 16 . 1 1 3 3 LEU HD21 H 1 0.963 0.05 . 2 . . . . 3 L QD2 . 6585 1 17 . 1 1 3 3 LEU HD22 H 1 0.963 0.05 . 2 . . . . 3 L QD2 . 6585 1 18 . 1 1 3 3 LEU HD23 H 1 0.963 0.05 . 2 . . . . 3 L QD2 . 6585 1 19 . 1 1 3 3 LEU C C 13 176.783 0.10 . 1 . . . . 3 L C . 6585 1 20 . 1 1 3 3 LEU CA C 13 55.861 0.11 . 1 . . . . 3 L CA . 6585 1 21 . 1 1 3 3 LEU CB C 13 42.323 0.16 . 1 . . . . 3 L CB . 6585 1 22 . 1 1 3 3 LEU CG C 13 27.468 0.10 . 1 . . . . 3 L CG . 6585 1 23 . 1 1 3 3 LEU CD1 C 13 23.205 0.11 . 1 . . . . 3 L CD1 . 6585 1 24 . 1 1 3 3 LEU CD2 C 13 25.411 0.10 . 1 . . . . 3 L CD2 . 6585 1 25 . 1 1 3 3 LEU N N 15 124.259 0.23 . 1 . . . . 3 L N . 6585 1 26 . 1 1 4 4 LYS H H 1 7.846 0.05 . 1 . . . . 4 K HN . 6585 1 27 . 1 1 4 4 LYS HA H 1 5.179 0.05 . 1 . . . . 4 K HA . 6585 1 28 . 1 1 4 4 LYS HB2 H 1 1.789 0.05 . 2 . . . . 4 K HB2 . 6585 1 29 . 1 1 4 4 LYS HG2 H 1 1.281 0.05 . 2 . . . . 4 K HG2 . 6585 1 30 . 1 1 4 4 LYS HD2 H 1 1.623 0.05 . 2 . . . . 4 K HD2 . 6585 1 31 . 1 1 4 4 LYS HE2 H 1 2.913 0.05 . 1 . . . . 4 K HE2 . 6585 1 32 . 1 1 4 4 LYS C C 13 176.178 0.10 . 1 . . . . 4 K C . 6585 1 33 . 1 1 4 4 LYS CA C 13 55.209 0.19 . 1 . . . . 4 K CA . 6585 1 34 . 1 1 4 4 LYS CB C 13 35.040 0.18 . 1 . . . . 4 K CB . 6585 1 35 . 1 1 4 4 LYS CG C 13 25.979 0.10 . 1 . . . . 4 K CG . 6585 1 36 . 1 1 4 4 LYS CD C 13 29.938 0.18 . 1 . . . . 4 K CD . 6585 1 37 . 1 1 4 4 LYS CE C 13 42.028 0.10 . 1 . . . . 4 K CE . 6585 1 38 . 1 1 4 4 LYS N N 15 120.701 0.19 . 1 . . . . 4 K N . 6585 1 39 . 1 1 5 5 GLY H H 1 7.705 0.05 . 1 . . . . 5 G HN . 6585 1 40 . 1 1 5 5 GLY HA2 H 1 3.544 0.05 . 2 . . . . 5 G HA1 . 6585 1 41 . 1 1 5 5 GLY HA3 H 1 3.946 0.05 . 2 . . . . 5 G HA2 . 6585 1 42 . 1 1 5 5 GLY C C 13 169.934 0.10 . 1 . . . . 5 G C . 6585 1 43 . 1 1 5 5 GLY CA C 13 45.132 0.21 . 1 . . . . 5 G CA . 6585 1 44 . 1 1 5 5 GLY N N 15 111.000 0.16 . 1 . . . . 5 G N . 6585 1 45 . 1 1 6 6 ALA H H 1 7.982 0.05 . 1 . . . . 6 A HN . 6585 1 46 . 1 1 6 6 ALA HA H 1 5.130 0.05 . 1 . . . . 6 A HA . 6585 1 47 . 1 1 6 6 ALA HB1 H 1 0.919 0.05 . 1 . . . . 6 A QB . 6585 1 48 . 1 1 6 6 ALA HB2 H 1 0.919 0.05 . 1 . . . . 6 A QB . 6585 1 49 . 1 1 6 6 ALA HB3 H 1 0.919 0.05 . 1 . . . . 6 A QB . 6585 1 50 . 1 1 6 6 ALA C C 13 176.485 0.10 . 1 . . . . 6 A C . 6585 1 51 . 1 1 6 6 ALA CA C 13 50.894 0.13 . 1 . . . . 6 A CA . 6585 1 52 . 1 1 6 6 ALA CB C 13 22.015 0.25 . 1 . . . . 6 A CB . 6585 1 53 . 1 1 6 6 ALA N N 15 122.496 0.18 . 1 . . . . 6 A N . 6585 1 54 . 1 1 7 7 LEU H H 1 8.735 0.05 . 1 . . . . 7 L HN . 6585 1 55 . 1 1 7 7 LEU HA H 1 4.812 0.05 . 1 . . . . 7 L HA . 6585 1 56 . 1 1 7 7 LEU HB2 H 1 1.716 0.05 . 2 . . . . 7 L HB2 . 6585 1 57 . 1 1 7 7 LEU HG H 1 1.536 0.05 . 1 . . . . 7 L HG . 6585 1 58 . 1 1 7 7 LEU HD11 H 1 0.700 0.05 . 2 . . . . 7 L QD1 . 6585 1 59 . 1 1 7 7 LEU HD12 H 1 0.700 0.05 . 2 . . . . 7 L QD1 . 6585 1 60 . 1 1 7 7 LEU HD13 H 1 0.700 0.05 . 2 . . . . 7 L QD1 . 6585 1 61 . 1 1 7 7 LEU HD21 H 1 0.797 0.05 . 2 . . . . 7 L QD2 . 6585 1 62 . 1 1 7 7 LEU HD22 H 1 0.797 0.05 . 2 . . . . 7 L QD2 . 6585 1 63 . 1 1 7 7 LEU HD23 H 1 0.797 0.05 . 2 . . . . 7 L QD2 . 6585 1 64 . 1 1 7 7 LEU C C 13 174.224 0.10 . 1 . . . . 7 L C . 6585 1 65 . 1 1 7 7 LEU CA C 13 54.306 0.19 . 1 . . . . 7 L CA . 6585 1 66 . 1 1 7 7 LEU CB C 13 47.016 0.14 . 1 . . . . 7 L CB . 6585 1 67 . 1 1 7 7 LEU CD1 C 13 25.309 0.20 . 1 . . . . 7 L CD1 . 6585 1 68 . 1 1 7 7 LEU CD2 C 13 24.444 0.26 . 1 . . . . 7 L CD2 . 6585 1 69 . 1 1 7 7 LEU N N 15 123.648 0.15 . 1 . . . . 7 L N . 6585 1 70 . 1 1 8 8 SER H H 1 8.848 0.05 . 1 . . . . 8 S HN . 6585 1 71 . 1 1 8 8 SER HA H 1 5.670 0.05 . 1 . . . . 8 S HA . 6585 1 72 . 1 1 8 8 SER HB3 H 1 3.563 0.05 . 2 . . . . 8 S HB3 . 6585 1 73 . 1 1 8 8 SER C C 13 173.345 0.10 . 1 . . . . 8 S C . 6585 1 74 . 1 1 8 8 SER CA C 13 56.716 0.11 . 1 . . . . 8 S CA . 6585 1 75 . 1 1 8 8 SER CB C 13 66.550 0.23 . 1 . . . . 8 S CB . 6585 1 76 . 1 1 8 8 SER N N 15 120.566 0.24 . 1 . . . . 8 S N . 6585 1 77 . 1 1 9 9 VAL H H 1 9.380 0.05 . 1 . . . . 9 V HN . 6585 1 78 . 1 1 9 9 VAL HA H 1 4.734 0.05 . 1 . . . . 9 V HA . 6585 1 79 . 1 1 9 9 VAL HB H 1 2.261 0.05 . 1 . . . . 9 V HB . 6585 1 80 . 1 1 9 9 VAL HG11 H 1 1.270 0.05 . 2 . . . . 9 V QG1 . 6585 1 81 . 1 1 9 9 VAL HG12 H 1 1.270 0.05 . 2 . . . . 9 V QG1 . 6585 1 82 . 1 1 9 9 VAL HG13 H 1 1.270 0.05 . 2 . . . . 9 V QG1 . 6585 1 83 . 1 1 9 9 VAL C C 13 171.764 0.10 . 1 . . . . 9 V C . 6585 1 84 . 1 1 9 9 VAL CA C 13 60.359 0.27 . 1 . . . . 9 V CA . 6585 1 85 . 1 1 9 9 VAL CB C 13 36.062 0.11 . 1 . . . . 9 V CB . 6585 1 86 . 1 1 9 9 VAL CG1 C 13 21.214 0.27 . 1 . . . . 9 V CG1 . 6585 1 87 . 1 1 9 9 VAL N N 15 124.452 0.15 . 1 . . . . 9 V N . 6585 1 88 . 1 1 10 10 LYS H H 1 8.270 0.05 . 1 . . . . 10 K HN . 6585 1 89 . 1 1 10 10 LYS HA H 1 5.509 0.05 . 1 . . . . 10 K HA . 6585 1 90 . 1 1 10 10 LYS HB2 H 1 1.766 0.05 . 2 . . . . 10 K HB2 . 6585 1 91 . 1 1 10 10 LYS HG2 H 1 1.394 0.05 . 2 . . . . 10 K HG2 . 6585 1 92 . 1 1 10 10 LYS HD2 H 1 1.569 0.05 . 1 . . . . 10 K HD2 . 6585 1 93 . 1 1 10 10 LYS HE2 H 1 2.856 0.05 . 1 . . . . 10 K HE2 . 6585 1 94 . 1 1 10 10 LYS C C 13 175.540 0.10 . 1 . . . . 10 K C . 6585 1 95 . 1 1 10 10 LYS CA C 13 54.282 0.12 . 1 . . . . 10 K CA . 6585 1 96 . 1 1 10 10 LYS CB C 13 35.199 0.19 . 1 . . . . 10 K CB . 6585 1 97 . 1 1 10 10 LYS CG C 13 25.118 0.22 . 1 . . . . 10 K CG . 6585 1 98 . 1 1 10 10 LYS CD C 13 29.901 0.19 . 1 . . . . 10 K CD . 6585 1 99 . 1 1 10 10 LYS CE C 13 42.581 . . 1 . . . . 10 K CE . 6585 1 100 . 1 1 10 10 LYS N N 15 125.159 0.20 . 1 . . . . 10 K N . 6585 1 101 . 1 1 11 11 PHE H H 1 8.558 0.05 . 1 . . . . 11 F HN . 6585 1 102 . 1 1 11 11 PHE HA H 1 4.862 0.05 . 1 . . . . 11 F HA . 6585 1 103 . 1 1 11 11 PHE HB2 H 1 3.036 0.05 . 2 . . . . 11 F HB2 . 6585 1 104 . 1 1 11 11 PHE HB3 H 1 3.333 0.05 . 2 . . . . 11 F HB3 . 6585 1 105 . 1 1 11 11 PHE HD1 H 1 6.903 0.05 . 4 . . . . 11 F QD . 6585 1 106 . 1 1 11 11 PHE HD2 H 1 6.903 0.05 . 4 . . . . 11 F QD . 6585 1 107 . 1 1 11 11 PHE C C 13 171.021 0.10 . 1 . . . . 11 F C . 6585 1 108 . 1 1 11 11 PHE CA C 13 56.245 0.16 . 1 . . . . 11 F CA . 6585 1 109 . 1 1 11 11 PHE CB C 13 39.769 0.11 . 1 . . . . 11 F CB . 6585 1 110 . 1 1 11 11 PHE N N 15 121.798 0.25 . 1 . . . . 11 F N . 6585 1 111 . 1 1 12 12 ASP H H 1 8.524 0.05 . 1 . . . . 12 D HN . 6585 1 112 . 1 1 12 12 ASP HA H 1 5.797 0.05 . 1 . . . . 12 D HA . 6585 1 113 . 1 1 12 12 ASP HB3 H 1 2.551 0.05 . 2 . . . . 12 D HB3 . 6585 1 114 . 1 1 12 12 ASP C C 13 176.292 0.10 . 1 . . . . 12 D C . 6585 1 115 . 1 1 12 12 ASP CA C 13 52.554 0.14 . 1 . . . . 12 D CA . 6585 1 116 . 1 1 12 12 ASP CB C 13 43.067 0.15 . 1 . . . . 12 D CB . 6585 1 117 . 1 1 12 12 ASP N N 15 120.365 0.19 . 1 . . . . 12 D N . 6585 1 118 . 1 1 13 13 VAL H H 1 8.875 0.05 . 1 . . . . 13 V HN . 6585 1 119 . 1 1 13 13 VAL HA H 1 4.594 0.05 . 1 . . . . 13 V HA . 6585 1 120 . 1 1 13 13 VAL HB H 1 2.111 0.05 . 1 . . . . 13 V HB . 6585 1 121 . 1 1 13 13 VAL HG11 H 1 -0.096 0.05 . 2 . . . . 13 V QG1 . 6585 1 122 . 1 1 13 13 VAL HG12 H 1 -0.096 0.05 . 2 . . . . 13 V QG1 . 6585 1 123 . 1 1 13 13 VAL HG13 H 1 -0.096 0.05 . 2 . . . . 13 V QG1 . 6585 1 124 . 1 1 13 13 VAL HG21 H 1 0.558 0.05 . 2 . . . . 13 V QG2 . 6585 1 125 . 1 1 13 13 VAL HG22 H 1 0.558 0.05 . 2 . . . . 13 V QG2 . 6585 1 126 . 1 1 13 13 VAL HG23 H 1 0.558 0.05 . 2 . . . . 13 V QG2 . 6585 1 127 . 1 1 13 13 VAL C C 13 176.354 0.10 . 1 . . . . 13 V C . 6585 1 128 . 1 1 13 13 VAL CA C 13 59.036 0.19 . 1 . . . . 13 V CA . 6585 1 129 . 1 1 13 13 VAL CB C 13 33.633 0.18 . 1 . . . . 13 V CB . 6585 1 130 . 1 1 13 13 VAL CG1 C 13 17.350 0.19 . 1 . . . . 13 V CG1 . 6585 1 131 . 1 1 13 13 VAL CG2 C 13 22.054 0.10 . 1 . . . . 13 V CG2 . 6585 1 132 . 1 1 13 13 VAL N N 15 114.225 0.16 . 1 . . . . 13 V N . 6585 1 133 . 1 1 14 14 LYS H H 1 10.791 0.05 . 1 . . . . 14 K HN . 6585 1 134 . 1 1 14 14 LYS HA H 1 4.158 0.05 . 1 . . . . 14 K HA . 6585 1 135 . 1 1 14 14 LYS HB2 H 1 1.818 0.05 . 2 . . . . 14 K HB2 . 6585 1 136 . 1 1 14 14 LYS HB3 H 1 1.999 0.05 . 2 . . . . 14 K HB3 . 6585 1 137 . 1 1 14 14 LYS HG2 H 1 1.449 0.05 . 2 . . . . 14 K HG2 . 6585 1 138 . 1 1 14 14 LYS HD3 H 1 1.651 0.05 . 2 . . . . 14 K HD3 . 6585 1 139 . 1 1 14 14 LYS HE2 H 1 3.003 0.05 . 2 . . . . 14 K HE2 . 6585 1 140 . 1 1 14 14 LYS C C 13 178.383 0.10 . 1 . . . . 14 K C . 6585 1 141 . 1 1 14 14 LYS CA C 13 58.199 0.16 . 1 . . . . 14 K CA . 6585 1 142 . 1 1 14 14 LYS CB C 13 33.579 0.14 . 1 . . . . 14 K CB . 6585 1 143 . 1 1 14 14 LYS CG C 13 26.214 0.10 . 1 . . . . 14 K CG . 6585 1 144 . 1 1 14 14 LYS CD C 13 29.139 0.10 . 1 . . . . 14 K CD . 6585 1 145 . 1 1 14 14 LYS N N 15 127.704 0.15 . 1 . . . . 14 K N . 6585 1 146 . 1 1 15 15 CYS H H 1 9.429 0.05 . 1 . . . . 15 C HN . 6585 1 147 . 1 1 15 15 CYS HA H 1 4.466 0.05 . 1 . . . . 15 C HA . 6585 1 148 . 1 1 15 15 CYS HB2 H 1 2.792 0.05 . 2 . . . . 15 C HB2 . 6585 1 149 . 1 1 15 15 CYS HB3 H 1 3.105 0.05 . 2 . . . . 15 C HB3 . 6585 1 150 . 1 1 15 15 CYS CA C 13 59.318 0.10 . 1 . . . . 15 C CA . 6585 1 151 . 1 1 15 15 CYS CB C 13 28.324 0.34 . 1 . . . . 15 C CB . 6585 1 152 . 1 1 15 15 CYS N N 15 123.034 0.19 . 1 . . . . 15 C N . 6585 1 153 . 1 1 16 16 PRO HA H 1 4.608 0.05 . 1 . . . . 16 P HA . 6585 1 154 . 1 1 16 16 PRO HB2 H 1 2.543 0.05 . 2 . . . . 16 P HB2 . 6585 1 155 . 1 1 16 16 PRO HG3 H 1 2.122 0.05 . 2 . . . . 16 P HG3 . 6585 1 156 . 1 1 16 16 PRO HD2 H 1 3.705 0.05 . 2 . . . . 16 P HD2 . 6585 1 157 . 1 1 16 16 PRO HD3 H 1 3.984 0.05 . 2 . . . . 16 P HD3 . 6585 1 158 . 1 1 16 16 PRO C C 13 178.138 0.10 . 1 . . . . 16 P C . 6585 1 159 . 1 1 16 16 PRO CA C 13 62.479 0.22 . 1 . . . . 16 P CA . 6585 1 160 . 1 1 16 16 PRO CB C 13 33.149 0.10 . 1 . . . . 16 P CB . 6585 1 161 . 1 1 16 16 PRO CG C 13 28.071 0.14 . 1 . . . . 16 P CG . 6585 1 162 . 1 1 16 16 PRO CD C 13 51.387 0.21 . 1 . . . . 16 P CD . 6585 1 163 . 1 1 17 17 ALA H H 1 8.661 0.05 . 1 . . . . 17 A HN . 6585 1 164 . 1 1 17 17 ALA HA H 1 3.897 0.05 . 1 . . . . 17 A HA . 6585 1 165 . 1 1 17 17 ALA HB1 H 1 1.193 0.05 . 1 . . . . 17 A QB . 6585 1 166 . 1 1 17 17 ALA HB2 H 1 1.193 0.05 . 1 . . . . 17 A QB . 6585 1 167 . 1 1 17 17 ALA HB3 H 1 1.193 0.05 . 1 . . . . 17 A QB . 6585 1 168 . 1 1 17 17 ALA C C 13 179.233 0.10 . 1 . . . . 17 A C . 6585 1 169 . 1 1 17 17 ALA CA C 13 56.237 0.23 . 1 . . . . 17 A CA . 6585 1 170 . 1 1 17 17 ALA CB C 13 19.132 0.25 . 1 . . . . 17 A CB . 6585 1 171 . 1 1 17 17 ALA N N 15 127.563 0.17 . 1 . . . . 17 A N . 6585 1 172 . 1 1 18 18 ASP H H 1 8.763 0.05 . 1 . . . . 18 D HN . 6585 1 173 . 1 1 18 18 ASP HA H 1 4.268 0.05 . 1 . . . . 18 D HA . 6585 1 174 . 1 1 18 18 ASP HB3 H 1 2.782 0.05 . 2 . . . . 18 D HB3 . 6585 1 175 . 1 1 18 18 ASP C C 13 178.743 0.10 . 1 . . . . 18 D C . 6585 1 176 . 1 1 18 18 ASP CA C 13 57.022 0.16 . 1 . . . . 18 D CA . 6585 1 177 . 1 1 18 18 ASP CB C 13 39.368 0.17 . 1 . . . . 18 D CB . 6585 1 178 . 1 1 18 18 ASP N N 15 116.193 0.19 . 1 . . . . 18 D N . 6585 1 179 . 1 1 19 19 LYS H H 1 7.557 0.05 . 1 . . . . 19 K HN . 6585 1 180 . 1 1 19 19 LYS HA H 1 4.141 0.05 . 1 . . . . 19 K HA . 6585 1 181 . 1 1 19 19 LYS HB2 H 1 1.771 0.05 . 2 . . . . 19 K HB2 . 6585 1 182 . 1 1 19 19 LYS HG2 H 1 1.452 0.05 . 2 . . . . 19 K HG2 . 6585 1 183 . 1 1 19 19 LYS HD2 H 1 1.667 0.05 . 2 . . . . 19 K HD2 . 6585 1 184 . 1 1 19 19 LYS HE2 H 1 2.988 0.05 . 2 . . . . 19 K HE2 . 6585 1 185 . 1 1 19 19 LYS C C 13 178.443 0.10 . 1 . . . . 19 K C . 6585 1 186 . 1 1 19 19 LYS CA C 13 58.479 0.14 . 1 . . . . 19 K CA . 6585 1 187 . 1 1 19 19 LYS CB C 13 33.462 0.16 . 1 . . . . 19 K CB . 6585 1 188 . 1 1 19 19 LYS CG C 13 25.339 0.10 . 1 . . . . 19 K CG . 6585 1 189 . 1 1 19 19 LYS CD C 13 29.268 0.10 . 1 . . . . 19 K CD . 6585 1 190 . 1 1 19 19 LYS N N 15 122.644 0.16 . 1 . . . . 19 K N . 6585 1 191 . 1 1 20 20 PHE H H 1 8.670 0.05 . 1 . . . . 20 F HN . 6585 1 192 . 1 1 20 20 PHE HA H 1 4.025 0.05 . 1 . . . . 20 F HA . 6585 1 193 . 1 1 20 20 PHE HB2 H 1 2.773 0.05 . 2 . . . . 20 F HB2 . 6585 1 194 . 1 1 20 20 PHE HB3 H 1 3.056 0.05 . 2 . . . . 20 F HB3 . 6585 1 195 . 1 1 20 20 PHE HD1 H 1 7.100 0.05 . 1 . . . . 20 F QD . 6585 1 196 . 1 1 20 20 PHE HD2 H 1 7.100 0.05 . 1 . . . . 20 F QD . 6585 1 197 . 1 1 20 20 PHE HE1 H 1 7.578 0.05 . 1 . . . . 20 F QE . 6585 1 198 . 1 1 20 20 PHE HE2 H 1 7.578 0.05 . 1 . . . . 20 F QE . 6585 1 199 . 1 1 20 20 PHE C C 13 176.044 0.10 . 1 . . . . 20 F C . 6585 1 200 . 1 1 20 20 PHE CA C 13 62.591 0.26 . 1 . . . . 20 F CA . 6585 1 201 . 1 1 20 20 PHE CB C 13 40.013 0.13 . 1 . . . . 20 F CB . 6585 1 202 . 1 1 20 20 PHE N N 15 121.674 0.17 . 1 . . . . 20 F N . 6585 1 203 . 1 1 21 21 PHE H H 1 8.741 0.05 . 1 . . . . 21 F HN . 6585 1 204 . 1 1 21 21 PHE HA H 1 4.082 0.05 . 1 . . . . 21 F HA . 6585 1 205 . 1 1 21 21 PHE HB3 H 1 3.233 0.05 . 2 . . . . 21 F HB3 . 6585 1 206 . 1 1 21 21 PHE HD1 H 1 7.090 0.05 . 4 . . . . 21 F QD . 6585 1 207 . 1 1 21 21 PHE HD2 H 1 7.090 0.05 . 4 . . . . 21 F QD . 6585 1 208 . 1 1 21 21 PHE HE1 H 1 7.249 0.05 . 4 . . . . 21 F QE . 6585 1 209 . 1 1 21 21 PHE HE2 H 1 7.249 0.05 . 4 . . . . 21 F QE . 6585 1 210 . 1 1 21 21 PHE C C 13 176.842 0.10 . 1 . . . . 21 F C . 6585 1 211 . 1 1 21 21 PHE CA C 13 62.921 0.33 . 1 . . . . 21 F CA . 6585 1 212 . 1 1 21 21 PHE CB C 13 40.073 0.12 . 1 . . . . 21 F CB . 6585 1 213 . 1 1 21 21 PHE N N 15 117.997 0.16 . 1 . . . . 21 F N . 6585 1 214 . 1 1 22 22 SER H H 1 8.109 0.05 . 1 . . . . 22 S HN . 6585 1 215 . 1 1 22 22 SER HA H 1 3.964 0.05 . 1 . . . . 22 S HA . 6585 1 216 . 1 1 22 22 SER HB2 H 1 3.986 0.05 . 2 . . . . 22 S HB2 . 6585 1 217 . 1 1 22 22 SER C C 13 175.688 0.10 . 1 . . . . 22 S C . 6585 1 218 . 1 1 22 22 SER CA C 13 62.614 0.16 . 1 . . . . 22 S CA . 6585 1 219 . 1 1 22 22 SER CB C 13 62.435 0.10 . 1 . . . . 22 S CB . 6585 1 220 . 1 1 22 22 SER N N 15 113.501 0.22 . 1 . . . . 22 S N . 6585 1 221 . 1 1 23 23 ALA H H 1 7.664 0.05 . 1 . . . . 23 A HN . 6585 1 222 . 1 1 23 23 ALA HA H 1 4.044 0.05 . 1 . . . . 23 A HA . 6585 1 223 . 1 1 23 23 ALA HB1 H 1 1.441 0.05 . 1 . . . . 23 A QB . 6585 1 224 . 1 1 23 23 ALA HB2 H 1 1.441 0.05 . 1 . . . . 23 A QB . 6585 1 225 . 1 1 23 23 ALA HB3 H 1 1.441 0.05 . 1 . . . . 23 A QB . 6585 1 226 . 1 1 23 23 ALA C C 13 179.982 0.10 . 1 . . . . 23 A C . 6585 1 227 . 1 1 23 23 ALA CA C 13 54.754 0.15 . 1 . . . . 23 A CA . 6585 1 228 . 1 1 23 23 ALA CB C 13 19.064 0.23 . 1 . . . . 23 A CB . 6585 1 229 . 1 1 23 23 ALA N N 15 123.726 0.18 . 1 . . . . 23 A N . 6585 1 230 . 1 1 24 24 PHE H H 1 7.762 0.05 . 1 . . . . 24 F HN . 6585 1 231 . 1 1 24 24 PHE HA H 1 4.388 0.05 . 1 . . . . 24 F HA . 6585 1 232 . 1 1 24 24 PHE HB2 H 1 3.872 0.05 . 2 . . . . 24 F HB2 . 6585 1 233 . 1 1 24 24 PHE HD1 H 1 7.330 0.05 . 4 . . . . 24 F QD . 6585 1 234 . 1 1 24 24 PHE HD2 H 1 7.330 0.05 . 4 . . . . 24 F QD . 6585 1 235 . 1 1 24 24 PHE C C 13 177.821 0.10 . 1 . . . . 24 F C . 6585 1 236 . 1 1 24 24 PHE CA C 13 59.517 0.10 . 1 . . . . 24 F CA . 6585 1 237 . 1 1 24 24 PHE CB C 13 45.256 0.10 . 1 . . . . 24 F CB . 6585 1 238 . 1 1 24 24 PHE N N 15 119.899 0.16 . 1 . . . . 24 F N . 6585 1 239 . 1 1 25 25 VAL H H 1 8.078 0.05 . 1 . . . . 25 V HN . 6585 1 240 . 1 1 25 25 VAL HA H 1 2.799 0.05 . 1 . . . . 25 V HA . 6585 1 241 . 1 1 25 25 VAL HB H 1 1.850 0.05 . 1 . . . . 25 V HB . 6585 1 242 . 1 1 25 25 VAL HG11 H 1 0.702 0.05 . 2 . . . . 25 V QG1 . 6585 1 243 . 1 1 25 25 VAL HG12 H 1 0.702 0.05 . 2 . . . . 25 V QG1 . 6585 1 244 . 1 1 25 25 VAL HG13 H 1 0.702 0.05 . 2 . . . . 25 V QG1 . 6585 1 245 . 1 1 25 25 VAL HG21 H 1 0.423 0.05 . 2 . . . . 25 V QG2 . 6585 1 246 . 1 1 25 25 VAL HG22 H 1 0.423 0.05 . 2 . . . . 25 V QG2 . 6585 1 247 . 1 1 25 25 VAL HG23 H 1 0.423 0.05 . 2 . . . . 25 V QG2 . 6585 1 248 . 1 1 25 25 VAL C C 13 177.674 0.10 . 1 . . . . 25 V C . 6585 1 249 . 1 1 25 25 VAL CA C 13 66.397 0.31 . 1 . . . . 25 V CA . 6585 1 250 . 1 1 25 25 VAL CB C 13 31.808 0.14 . 1 . . . . 25 V CB . 6585 1 251 . 1 1 25 25 VAL CG1 C 13 21.401 0.10 . 1 . . . . 25 V CG1 . 6585 1 252 . 1 1 25 25 VAL CG2 C 13 22.648 0.10 . 1 . . . . 25 V CG2 . 6585 1 253 . 1 1 25 25 VAL N N 15 120.404 0.13 . 1 . . . . 25 V N . 6585 1 254 . 1 1 26 26 GLU H H 1 7.485 0.05 . 1 . . . . 26 E HN . 6585 1 255 . 1 1 26 26 GLU HA H 1 4.032 0.05 . 1 . . . . 26 E HA . 6585 1 256 . 1 1 26 26 GLU HB2 H 1 2.054 0.05 . 2 . . . . 26 E HB2 . 6585 1 257 . 1 1 26 26 GLU HG2 H 1 2.220 0.05 . 2 . . . . 26 E HG2 . 6585 1 258 . 1 1 26 26 GLU C C 13 176.626 0.13 . 1 . . . . 26 E C . 6585 1 259 . 1 1 26 26 GLU CA C 13 56.873 0.13 . 1 . . . . 26 E CA . 6585 1 260 . 1 1 26 26 GLU CB C 13 30.224 0.12 . 1 . . . . 26 E CB . 6585 1 261 . 1 1 26 26 GLU CG C 13 36.588 0.19 . 1 . . . . 26 E CG . 6585 1 262 . 1 1 26 26 GLU N N 15 116.785 0.29 . 1 . . . . 26 E N . 6585 1 263 . 1 1 27 27 ASP H H 1 8.489 0.05 . 1 . . . . 27 D HN . 6585 1 264 . 1 1 27 27 ASP HA H 1 5.306 0.05 . 1 . . . . 27 D HN . 6585 1 265 . 1 1 27 27 ASP N N 15 118.034 0.17 . 1 . . . . 27 D N . 6585 1 266 . 1 1 29 29 ASN H H 1 7.277 0.05 . 1 . . . . 29 N HN . 6585 1 267 . 1 1 29 29 ASN HB2 H 1 2.707 0.05 . 2 . . . . 29 N HB2 . 6585 1 268 . 1 1 29 29 ASN HB3 H 1 2.980 0.05 . 2 . . . . 29 N HB3 . 6585 1 269 . 1 1 29 29 ASN HD21 H 1 6.910 0.05 . 2 . . . . 29 N HD21 . 6585 1 270 . 1 1 29 29 ASN HD22 H 1 7.764 0.05 . 2 . . . . 29 N HD22 . 6585 1 271 . 1 1 29 29 ASN C C 13 176.607 0.10 . 1 . . . . 29 N C . 6585 1 272 . 1 1 29 29 ASN CA C 13 55.346 0.17 . 1 . . . . 29 N CA . 6585 1 273 . 1 1 29 29 ASN CB C 13 40.813 0.10 . 1 . . . . 29 N CB . 6585 1 274 . 1 1 29 29 ASN N N 15 121.574 0.16 . 1 . . . . 29 N N . 6585 1 275 . 1 1 29 29 ASN ND2 N 15 115.496 0.13 . 1 . . . . 29 N ND2 . 6585 1 276 . 1 1 30 30 ARG H H 1 7.955 0.05 . 1 . . . . 30 R HN . 6585 1 277 . 1 1 30 30 ARG N N 15 115.818 0.14 . 1 . . . . 30 R N . 6585 1 278 . 1 1 31 31 PRO HA H 1 4.829 0.05 . 1 . . . . 31 P HA . 6585 1 279 . 1 1 31 31 PRO HB3 H 1 2.116 0.05 . 2 . . . . 31 P HB3 . 6585 1 280 . 1 1 31 31 PRO HG2 H 1 1.284 0.05 . 2 . . . . 31 P HG2 . 6585 1 281 . 1 1 31 31 PRO C C 13 175.619 0.10 . 1 . . . . 31 P C . 6585 1 282 . 1 1 31 31 PRO CA C 13 63.553 0.30 . 1 . . . . 31 P CA . 6585 1 283 . 1 1 31 31 PRO CB C 13 27.255 0.14 . 1 . . . . 31 P CB . 6585 1 284 . 1 1 32 32 PHE H H 1 8.686 0.05 . 1 . . . . 32 F HN . 6585 1 285 . 1 1 32 32 PHE HA H 1 4.127 0.05 . 1 . . . . 32 F HA . 6585 1 286 . 1 1 32 32 PHE HB2 H 1 3.172 0.05 . 2 . . . . 32 F HB2 . 6585 1 287 . 1 1 32 32 PHE HD1 H 1 7.279 0.05 . 4 . . . . 32 F QD . 6585 1 288 . 1 1 32 32 PHE HD2 H 1 7.279 0.05 . 4 . . . . 32 F QD . 6585 1 289 . 1 1 32 32 PHE C C 13 178.151 0.10 . 1 . . . . 32 F C . 6585 1 290 . 1 1 32 32 PHE CA C 13 60.245 0.18 . 1 . . . . 32 F CA . 6585 1 291 . 1 1 32 32 PHE CB C 13 30.236 0.24 . 1 . . . . 32 F CB . 6585 1 292 . 1 1 32 32 PHE N N 15 126.411 0.20 . 1 . . . . 32 F N . 6585 1 293 . 1 1 33 33 GLU H H 1 8.968 0.05 . 1 . . . . 33 E HN . 6585 1 294 . 1 1 33 33 GLU N N 15 115.825 0.14 . 1 . . . . 33 E N . 6585 1 295 . 1 1 34 34 LYS HA H 1 4.016 0.05 . 1 . . . . 34 K HA . 6585 1 296 . 1 1 34 34 LYS HB3 H 1 1.807 0.05 . 2 . . . . 34 K HB3 . 6585 1 297 . 1 1 34 34 LYS HG3 H 1 1.421 0.05 . 2 . . . . 34 K HG3 . 6585 1 298 . 1 1 34 34 LYS C C 13 176.925 0.10 . 1 . . . . 34 K C . 6585 1 299 . 1 1 34 34 LYS CA C 13 57.561 0.21 . 1 . . . . 34 K CA . 6585 1 300 . 1 1 34 34 LYS CB C 13 32.008 0.17 . 1 . . . . 34 K CB . 6585 1 301 . 1 1 34 34 LYS CG C 13 24.912 0.10 . 1 . . . . 34 K CG . 6585 1 302 . 1 1 34 34 LYS CD C 13 29.162 0.10 . 1 . . . . 34 K CD . 6585 1 303 . 1 1 35 35 ASN H H 1 8.324 0.05 . 1 . . . . 35 N HN . 6585 1 304 . 1 1 35 35 ASN HA H 1 4.729 0.05 . 1 . . . . 35 N HA . 6585 1 305 . 1 1 35 35 ASN HB3 H 1 2.882 0.05 . 1 . . . . 35 N HB3 . 6585 1 306 . 1 1 35 35 ASN HD21 H 1 7.624 0.05 . 2 . . . . 35 N HD21 . 6585 1 307 . 1 1 35 35 ASN C C 13 174.929 0.10 . 1 . . . . 35 N C . 6585 1 308 . 1 1 35 35 ASN CA C 13 53.932 0.16 . 1 . . . . 35 N CA . 6585 1 309 . 1 1 35 35 ASN CB C 13 39.300 0.23 . 1 . . . . 35 N CB . 6585 1 310 . 1 1 35 35 ASN N N 15 117.387 0.20 . 1 . . . . 35 N N . 6585 1 311 . 1 1 35 35 ASN ND2 N 15 114.653 0.10 . 1 . . . . 35 N ND2 . 6585 1 312 . 1 1 35 35 ASN HD22 H 1 7.056 0.05 . 2 . . . . 35 N ND22 . 6585 1 313 . 1 1 36 36 GLY H H 1 7.745 0.05 . 1 . . . . 36 G HN . 6585 1 314 . 1 1 36 36 GLY HA2 H 1 4.232 0.05 . 2 . . . . 36 G HA1 . 6585 1 315 . 1 1 36 36 GLY HA3 H 1 4.235 0.05 . 2 . . . . 36 G HA2 . 6585 1 316 . 1 1 36 36 GLY C C 13 172.178 0.10 . 1 . . . . 36 G C . 6585 1 317 . 1 1 36 36 GLY CA C 13 45.455 0.14 . 1 . . . . 36 G CA . 6585 1 318 . 1 1 36 36 GLY N N 15 109.184 0.17 . 1 . . . . 36 G N . 6585 1 319 . 1 1 37 37 LYS H H 1 8.400 0.05 . 1 . . . . 37 K HN . 6585 1 320 . 1 1 37 37 LYS HA H 1 4.627 0.05 . 1 . . . . 37 K HA . 6585 1 321 . 1 1 37 37 LYS HB2 H 1 1.806 0.05 . 2 . . . . 37 K HB2 . 6585 1 322 . 1 1 37 37 LYS HE2 H 1 2.923 0.05 . 2 . . . . 37 K HE2 . 6585 1 323 . 1 1 37 37 LYS CA C 13 55.777 0.10 . 1 . . . . 37 K CA . 6585 1 324 . 1 1 37 37 LYS CB C 13 34.554 0.10 . 1 . . . . 37 K CB . 6585 1 325 . 1 1 37 37 LYS N N 15 122.024 0.15 . 1 . . . . 37 K N . 6585 1 326 . 1 1 38 38 THR HA H 1 4.885 0.05 . 1 . . . . 38 T HA . 6585 1 327 . 1 1 38 38 THR HB H 1 3.540 0.05 . 1 . . . . 38 T HB . 6585 1 328 . 1 1 38 38 THR HG21 H 1 0.518 0.05 . 1 . . . . 38 T QG2 . 6585 1 329 . 1 1 38 38 THR HG22 H 1 0.518 0.05 . 1 . . . . 38 T QG2 . 6585 1 330 . 1 1 38 38 THR HG23 H 1 0.518 0.05 . 1 . . . . 38 T QG2 . 6585 1 331 . 1 1 38 38 THR C C 13 174.093 0.10 . 1 . . . . 38 T C . 6585 1 332 . 1 1 38 38 THR CA C 13 60.372 0.25 . 1 . . . . 38 T CA . 6585 1 333 . 1 1 38 38 THR CB C 13 71.580 0.10 . 1 . . . . 38 T CB . 6585 1 334 . 1 1 38 38 THR CG2 C 13 21.439 0.36 . 1 . . . . 38 T CG2 . 6585 1 335 . 1 1 39 39 GLU H H 1 8.481 0.05 . 1 . . . . 39 E HN . 6585 1 336 . 1 1 39 39 GLU HA H 1 4.713 0.05 . 1 . . . . 39 E HA . 6585 1 337 . 1 1 39 39 GLU HB2 H 1 1.930 0.05 . 2 . . . . 39 E HB2 . 6585 1 338 . 1 1 39 39 GLU HG2 H 1 2.182 0.05 . 2 . . . . 39 E HG2 . 6585 1 339 . 1 1 39 39 GLU C C 13 175.364 0.10 . 1 . . . . 39 E C . 6585 1 340 . 1 1 39 39 GLU CA C 13 54.745 0.23 . 1 . . . . 39 E CA . 6585 1 341 . 1 1 39 39 GLU CB C 13 33.929 0.26 . 1 . . . . 39 E CB . 6585 1 342 . 1 1 39 39 GLU CG C 13 36.366 0.10 . 1 . . . . 39 E CG . 6585 1 343 . 1 1 39 39 GLU N N 15 122.385 0.24 . 1 . . . . 39 E N . 6585 1 344 . 1 1 40 40 ILE H H 1 9.161 0.05 . 1 . . . . 40 I HN . 6585 1 345 . 1 1 40 40 ILE HA H 1 4.159 0.05 . 1 . . . . 40 I HA . 6585 1 346 . 1 1 40 40 ILE HB H 1 1.904 0.05 . 1 . . . . 40 I HB . 6585 1 347 . 1 1 40 40 ILE HG12 H 1 1.429 0.05 . 2 . . . . 40 I HG12 . 6585 1 348 . 1 1 40 40 ILE HG21 H 1 0.846 0.05 . 1 . . . . 40 I QG2 . 6585 1 349 . 1 1 40 40 ILE HG22 H 1 0.846 0.05 . 1 . . . . 40 I QG2 . 6585 1 350 . 1 1 40 40 ILE HG23 H 1 0.846 0.05 . 1 . . . . 40 I QG2 . 6585 1 351 . 1 1 40 40 ILE HD11 H 1 0.722 0.05 . 1 . . . . 40 I QD1 . 6585 1 352 . 1 1 40 40 ILE HD12 H 1 0.722 0.05 . 1 . . . . 40 I QD1 . 6585 1 353 . 1 1 40 40 ILE HD13 H 1 0.722 0.05 . 1 . . . . 40 I QD1 . 6585 1 354 . 1 1 40 40 ILE C C 13 175.826 0.10 . 1 . . . . 40 I C . 6585 1 355 . 1 1 40 40 ILE CA C 13 62.614 0.10 . 1 . . . . 40 I CA . 6585 1 356 . 1 1 40 40 ILE CB C 13 38.117 0.10 . 1 . . . . 40 I CB . 6585 1 357 . 1 1 40 40 ILE CG2 C 13 17.974 0.10 . 1 . . . . 40 I CG2 . 6585 1 358 . 1 1 40 40 ILE CD1 C 13 10.620 0.27 . 1 . . . . 40 I CD1 . 6585 1 359 . 1 1 40 40 ILE N N 15 127.256 0.16 . 1 . . . . 40 I N . 6585 1 360 . 1 1 41 41 GLU H H 1 8.818 0.05 . 1 . . . . 41 E HN . 6585 1 361 . 1 1 41 41 GLU HA H 1 4.378 0.05 . 1 . . . . 41 E HA . 6585 1 362 . 1 1 41 41 GLU HB2 H 1 2.037 0.05 . 2 . . . . 41 E HB2 . 6585 1 363 . 1 1 41 41 GLU HB3 H 1 1.865 0.05 . 2 . . . . 41 E HB3 . 6585 1 364 . 1 1 41 41 GLU HG3 H 1 2.226 0.05 . 2 . . . . 41 E HG3 . 6585 1 365 . 1 1 41 41 GLU C C 13 175.861 0.10 . 1 . . . . 41 E C . 6585 1 366 . 1 1 41 41 GLU CA C 13 57.422 0.13 . 1 . . . . 41 E CA . 6585 1 367 . 1 1 41 41 GLU CB C 13 32.022 0.12 . 1 . . . . 41 E CB . 6585 1 368 . 1 1 41 41 GLU CG C 13 36.797 0.19 . 1 . . . . 41 E CG . 6585 1 369 . 1 1 41 41 GLU N N 15 131.744 0.19 . 1 . . . . 41 E N . 6585 1 370 . 1 1 42 42 ALA H H 1 7.852 0.05 . 1 . . . . 42 A HN . 6585 1 371 . 1 1 42 42 ALA HA H 1 4.641 0.05 . 1 . . . . 42 A HA . 6585 1 372 . 1 1 42 42 ALA HB1 H 1 1.372 0.05 . 1 . . . . 42 A QB . 6585 1 373 . 1 1 42 42 ALA HB2 H 1 1.372 0.05 . 1 . . . . 42 A QB . 6585 1 374 . 1 1 42 42 ALA HB3 H 1 1.372 0.05 . 1 . . . . 42 A QB . 6585 1 375 . 1 1 42 42 ALA C C 13 174.671 0.10 . 1 . . . . 42 A C . 6585 1 376 . 1 1 42 42 ALA CA C 13 51.874 0.13 . 1 . . . . 42 A CA . 6585 1 377 . 1 1 42 42 ALA CB C 13 22.767 0.18 . 1 . . . . 42 A CB . 6585 1 378 . 1 1 42 42 ALA N N 15 121.646 0.16 . 1 . . . . 42 A N . 6585 1 379 . 1 1 43 43 VAL H H 1 8.535 0.05 . 1 . . . . 43 V HN . 6585 1 380 . 1 1 43 43 VAL HA H 1 4.932 0.05 . 1 . . . . 43 V HA . 6585 1 381 . 1 1 43 43 VAL HB H 1 2.198 0.05 . 1 . . . . 43 V HB . 6585 1 382 . 1 1 43 43 VAL HG11 H 1 1.028 0.05 . 2 . . . . 43 V QG1 . 6585 1 383 . 1 1 43 43 VAL HG12 H 1 1.028 0.05 . 2 . . . . 43 V QG1 . 6585 1 384 . 1 1 43 43 VAL HG13 H 1 1.028 0.05 . 2 . . . . 43 V QG1 . 6585 1 385 . 1 1 43 43 VAL HG21 H 1 1.209 0.05 . 2 . . . . 43 V QG2 . 6585 1 386 . 1 1 43 43 VAL HG22 H 1 1.209 0.05 . 2 . . . . 43 V QG2 . 6585 1 387 . 1 1 43 43 VAL HG23 H 1 1.209 0.05 . 2 . . . . 43 V QG2 . 6585 1 388 . 1 1 43 43 VAL C C 13 172.718 0.10 . 1 . . . . 43 V C . 6585 1 389 . 1 1 43 43 VAL CA C 13 61.376 0.17 . 1 . . . . 43 V CA . 6585 1 390 . 1 1 43 43 VAL CB C 13 34.702 0.12 . 1 . . . . 43 V CB . 6585 1 391 . 1 1 43 43 VAL CG1 C 13 18.913 0.10 . 1 . . . . 43 V CG1 . 6585 1 392 . 1 1 43 43 VAL CG2 C 13 22.444 0.18 . 1 . . . . 43 V CG2 . 6585 1 393 . 1 1 43 43 VAL N N 15 121.326 0.17 . 1 . . . . 43 V N . 6585 1 394 . 1 1 44 44 ASP H H 1 8.827 0.05 . 1 . . . . 44 D HN . 6585 1 395 . 1 1 44 44 ASP HA H 1 4.929 0.05 . 1 . . . . 44 D HA . 6585 1 396 . 1 1 44 44 ASP HB2 H 1 2.262 0.05 . 2 . . . . 44 D HB2 . 6585 1 397 . 1 1 44 44 ASP HB3 H 1 3.312 0.05 . 2 . . . . 44 D HB3 . 6585 1 398 . 1 1 44 44 ASP C C 13 172.718 0.12 . 1 . . . . 44 D C . 6585 1 399 . 1 1 44 44 ASP CA C 13 53.177 0.12 . 1 . . . . 44 D CA . 6585 1 400 . 1 1 44 44 ASP CB C 13 42.724 0.11 . 1 . . . . 44 D CB . 6585 1 401 . 1 1 44 44 ASP N N 15 128.593 0.15 . 1 . . . . 44 D N . 6585 1 402 . 1 1 45 45 LEU H H 1 9.072 0.05 . 1 . . . . 45 L HN . 6585 1 403 . 1 1 45 45 LEU HA H 1 4.261 0.05 . 1 . . . . 45 L HA . 6585 1 404 . 1 1 45 45 LEU HB2 H 1 1.797 0.05 . 2 . . . . 45 L HB2 . 6585 1 405 . 1 1 45 45 LEU HG H 1 1.923 0.05 . 1 . . . . 45 L HG . 6585 1 406 . 1 1 45 45 LEU HD11 H 1 1.110 0.05 . 2 . . . . 45 L QD1 . 6585 1 407 . 1 1 45 45 LEU HD12 H 1 1.110 0.05 . 2 . . . . 45 L QD1 . 6585 1 408 . 1 1 45 45 LEU HD13 H 1 1.110 0.05 . 2 . . . . 45 L QD1 . 6585 1 409 . 1 1 45 45 LEU HD21 H 1 1.078 0.05 . 2 . . . . 45 L QD2 . 6585 1 410 . 1 1 45 45 LEU HD22 H 1 1.078 0.05 . 2 . . . . 45 L QD2 . 6585 1 411 . 1 1 45 45 LEU HD23 H 1 1.078 0.05 . 2 . . . . 45 L QD2 . 6585 1 412 . 1 1 45 45 LEU C C 13 178.144 0.10 . 1 . . . . 45 L C . 6585 1 413 . 1 1 45 45 LEU CA C 13 57.315 0.14 . 1 . . . . 45 L CA . 6585 1 414 . 1 1 45 45 LEU CB C 13 42.278 0.17 . 1 . . . . 45 L CB . 6585 1 415 . 1 1 45 45 LEU CG C 13 27.757 0.10 . 1 . . . . 45 L CG . 6585 1 416 . 1 1 45 45 LEU CD1 C 13 23.345 0.30 . 1 . . . . 45 L CD1 . 6585 1 417 . 1 1 45 45 LEU CD2 C 13 25.345 0.10 . 1 . . . . 45 L CD2 . 6585 1 418 . 1 1 45 45 LEU N N 15 125.551 0.15 . 1 . . . . 45 L N . 6585 1 419 . 1 1 46 46 VAL H H 1 8.224 0.05 . 1 . . . . 46 V HN . 6585 1 420 . 1 1 46 46 VAL HA H 1 3.824 0.05 . 1 . . . . 46 V HA . 6585 1 421 . 1 1 46 46 VAL HB H 1 0.950 0.05 . 1 . . . . 46 V HB . 6585 1 422 . 1 1 46 46 VAL HG21 H 1 0.959 0.05 . 2 . . . . 46 V QG2 . 6585 1 423 . 1 1 46 46 VAL HG22 H 1 0.959 0.05 . 2 . . . . 46 V QG2 . 6585 1 424 . 1 1 46 46 VAL HG23 H 1 0.959 0.05 . 2 . . . . 46 V QG2 . 6585 1 425 . 1 1 46 46 VAL C C 13 178.350 0.10 . 1 . . . . 46 V C . 6585 1 426 . 1 1 46 46 VAL CA C 13 65.267 0.13 . 1 . . . . 46 V CA . 6585 1 427 . 1 1 46 46 VAL CB C 13 32.232 0.14 . 1 . . . . 46 V CB . 6585 1 428 . 1 1 46 46 VAL CG1 C 13 20.904 0.10 . 1 . . . . 46 V CG1 . 6585 1 429 . 1 1 46 46 VAL N N 15 121.195 0.22 . 1 . . . . 46 V N . 6585 1 430 . 1 1 47 47 LYS H H 1 7.998 0.05 . 1 . . . . 47 K HN . 6585 1 431 . 1 1 47 47 LYS HA H 1 4.009 0.05 . 1 . . . . 47 K HA . 6585 1 432 . 1 1 47 47 LYS HB2 H 1 1.443 0.05 . 2 . . . . 47 K HB2 . 6585 1 433 . 1 1 47 47 LYS HB3 H 1 1.820 0.05 . 2 . . . . 47 K HB3 . 6585 1 434 . 1 1 47 47 LYS HD2 H 1 1.591 0.05 . 2 . . . . 47 K HD2 . 6585 1 435 . 1 1 47 47 LYS HE2 H 1 2.944 0.05 . 2 . . . . 47 K HE2 . 6585 1 436 . 1 1 47 47 LYS C C 13 175.803 0.10 . 1 . . . . 47 K C . 6585 1 437 . 1 1 47 47 LYS CA C 13 56.670 0.18 . 1 . . . . 47 K CA . 6585 1 438 . 1 1 47 47 LYS CB C 13 32.927 0.17 . 1 . . . . 47 K CB . 6585 1 439 . 1 1 47 47 LYS CG C 13 26.113 0.10 . 1 . . . . 47 K CG . 6585 1 440 . 1 1 47 47 LYS CD C 13 29.031 0.10 . 1 . . . . 47 K CD . 6585 1 441 . 1 1 47 47 LYS N N 15 120.456 0.18 . 1 . . . . 47 K N . 6585 1 442 . 1 1 48 48 LYS H H 1 7.574 0.05 . 1 . . . . 48 K HN . 6585 1 443 . 1 1 48 48 LYS HA H 1 2.079 0.05 . 1 . . . . 48 K HA . 6585 1 444 . 1 1 48 48 LYS HB2 H 1 2.623 0.05 . 2 . . . . 48 K HB2 . 6585 1 445 . 1 1 48 48 LYS HB3 H 1 0.867 0.05 . 2 . . . . 48 K HB3 . 6585 1 446 . 1 1 48 48 LYS HG2 H 1 1.009 0.05 . 2 . . . . 48 K HG2 . 6585 1 447 . 1 1 48 48 LYS HD2 H 1 1.361 0.05 . 2 . . . . 48 K HD2 . 6585 1 448 . 1 1 48 48 LYS C C 13 173.852 0.10 . 1 . . . . 48 K C . 6585 1 449 . 1 1 48 48 LYS CA C 13 55.986 0.16 . 1 . . . . 48 K CA . 6585 1 450 . 1 1 48 48 LYS CB C 13 28.470 0.37 . 1 . . . . 48 K CB . 6585 1 451 . 1 1 48 48 LYS CG C 13 24.261 0.10 . 1 . . . . 48 K CG . 6585 1 452 . 1 1 48 48 LYS N N 15 115.863 0.17 . 1 . . . . 48 K N . 6585 1 453 . 1 1 49 49 THR H H 1 7.447 0.05 . 1 . . . . 49 T HN . 6585 1 454 . 1 1 49 49 THR HA H 1 5.419 0.05 . 1 . . . . 49 T HA . 6585 1 455 . 1 1 49 49 THR HB H 1 4.341 0.05 . 1 . . . . 49 T HB . 6585 1 456 . 1 1 49 49 THR HG21 H 1 1.077 0.05 . 1 . . . . 49 T QG2 . 6585 1 457 . 1 1 49 49 THR HG22 H 1 1.077 0.05 . 1 . . . . 49 T QG2 . 6585 1 458 . 1 1 49 49 THR HG23 H 1 1.077 0.05 . 1 . . . . 49 T QG2 . 6585 1 459 . 1 1 49 49 THR C C 13 173.762 0.10 . 1 . . . . 49 T C . 6585 1 460 . 1 1 49 49 THR CA C 13 58.196 0.21 . 1 . . . . 49 T CA . 6585 1 461 . 1 1 49 49 THR CB C 13 72.139 0.30 . 1 . . . . 49 T CB . 6585 1 462 . 1 1 49 49 THR CG2 C 13 21.300 0.10 . 1 . . . . 49 T CG2 . 6585 1 463 . 1 1 49 49 THR N N 15 107.561 0.17 . 1 . . . . 49 T N . 6585 1 464 . 1 1 50 50 MET H H 1 7.978 0.05 . 1 . . . . 50 M HN . 6585 1 465 . 1 1 50 50 MET HA H 1 5.298 0.05 . 1 . . . . 50 M HA . 6585 1 466 . 1 1 50 50 MET HB2 H 1 2.223 0.05 . 2 . . . . 50 M HB2 . 6585 1 467 . 1 1 50 50 MET HB3 H 1 2.763 0.05 . 2 . . . . 50 M HB3 . 6585 1 468 . 1 1 50 50 MET HG2 H 1 3.008 0.05 . 2 . . . . 50 M HG2 . 6585 1 469 . 1 1 50 50 MET HG3 H 1 2.510 0.05 . 2 . . . . 50 M HG3 . 6585 1 470 . 1 1 50 50 MET C C 13 174.873 0.10 . 1 . . . . 50 M C . 6585 1 471 . 1 1 50 50 MET CA C 13 56.264 0.14 . 1 . . . . 50 M CA . 6585 1 472 . 1 1 50 50 MET CB C 13 38.294 0.19 . 1 . . . . 50 M CB . 6585 1 473 . 1 1 50 50 MET CG C 13 31.764 0.18 . 1 . . . . 50 M CG . 6585 1 474 . 1 1 50 50 MET N N 15 120.882 0.15 . 1 . . . . 50 M N . 6585 1 475 . 1 1 51 51 THR H H 1 9.290 0.05 . 1 . . . . 51 T HN . 6585 1 476 . 1 1 51 51 THR HA H 1 5.670 0.05 . 1 . . . . 51 T HA . 6585 1 477 . 1 1 51 51 THR HB H 1 3.884 0.05 . 1 . . . . 51 T HB . 6585 1 478 . 1 1 51 51 THR HG21 H 1 1.121 0.05 . 1 . . . . 51 T QG2 . 6585 1 479 . 1 1 51 51 THR HG22 H 1 1.121 0.05 . 1 . . . . 51 T QG2 . 6585 1 480 . 1 1 51 51 THR HG23 H 1 1.121 0.05 . 1 . . . . 51 T QG2 . 6585 1 481 . 1 1 51 51 THR C C 13 173.713 0.10 . 1 . . . . 51 T C . 6585 1 482 . 1 1 51 51 THR CA C 13 62.201 0.23 . 1 . . . . 51 T CA . 6585 1 483 . 1 1 51 51 THR CB C 13 71.969 0.26 . 1 . . . . 51 T CB . 6585 1 484 . 1 1 51 51 THR CG2 C 13 21.857 0.17 . 1 . . . . 51 T CG2 . 6585 1 485 . 1 1 51 51 THR N N 15 123.307 0.18 . 1 . . . . 51 T N . 6585 1 486 . 1 1 52 52 ILE H H 1 9.952 0.05 . 1 . . . . 52 I HN . 6585 1 487 . 1 1 52 52 ILE HA H 1 5.194 0.05 . 1 . . . . 52 I HA . 6585 1 488 . 1 1 52 52 ILE HB H 1 1.899 0.05 . 1 . . . . 52 I HB . 6585 1 489 . 1 1 52 52 ILE HG12 H 1 1.770 0.05 . 2 . . . . 52 I HG12 . 6585 1 490 . 1 1 52 52 ILE HG13 H 1 1.348 0.05 . 2 . . . . 52 I HG13 . 6585 1 491 . 1 1 52 52 ILE HG21 H 1 1.044 0.05 . 1 . . . . 52 I QG2 . 6585 1 492 . 1 1 52 52 ILE HG22 H 1 1.044 0.05 . 1 . . . . 52 I QG2 . 6585 1 493 . 1 1 52 52 ILE HG23 H 1 1.044 0.05 . 1 . . . . 52 I QG2 . 6585 1 494 . 1 1 52 52 ILE HD11 H 1 1.111 0.05 . 1 . . . . 52 I QD1 . 6585 1 495 . 1 1 52 52 ILE HD12 H 1 1.111 0.05 . 1 . . . . 52 I QD1 . 6585 1 496 . 1 1 52 52 ILE HD13 H 1 1.111 0.05 . 1 . . . . 52 I QD1 . 6585 1 497 . 1 1 52 52 ILE C C 13 174.508 0.10 . 1 . . . . 52 I C . 6585 1 498 . 1 1 52 52 ILE CA C 13 59.254 0.18 . 1 . . . . 52 I CA . 6585 1 499 . 1 1 52 52 ILE CB C 13 42.172 0.16 . 1 . . . . 52 I CB . 6585 1 500 . 1 1 52 52 ILE CG1 C 13 26.735 0.18 . 1 . . . . 52 I CG1 . 6585 1 501 . 1 1 52 52 ILE CG2 C 13 18.574 0.21 . 1 . . . . 52 I CG2 . 6585 1 502 . 1 1 52 52 ILE CD1 C 13 14.440 0.12 . 1 . . . . 52 I CD1 . 6585 1 503 . 1 1 52 52 ILE N N 15 125.631 0.19 . 1 . . . . 52 I N . 6585 1 504 . 1 1 53 53 GLN H H 1 9.516 0.05 . 1 . . . . 53 Q HN . 6585 1 505 . 1 1 53 53 GLN HA H 1 4.901 0.05 . 1 . . . . 53 Q HA . 6585 1 506 . 1 1 53 53 GLN HB2 H 1 2.117 0.05 . 2 . . . . 53 Q HB2 . 6585 1 507 . 1 1 53 53 GLN HG3 H 1 2.423 0.05 . 2 . . . . 53 Q HG3 . 6585 1 508 . 1 1 53 53 GLN HE22 H 1 6.815 0.05 . 2 . . . . 53 Q HD22 . 6585 1 509 . 1 1 53 53 GLN HE21 H 1 7.840 0.05 . 2 . . . . 53 Q HE21 . 6585 1 510 . 1 1 53 53 GLN C C 13 175.519 0.10 . 1 . . . . 53 Q C . 6585 1 511 . 1 1 53 53 GLN CA C 13 55.626 0.24 . 1 . . . . 53 Q CA . 6585 1 512 . 1 1 53 53 GLN CB C 13 30.702 0.14 . 1 . . . . 53 Q CB . 6585 1 513 . 1 1 53 53 GLN CG C 13 34.237 0.10 . 1 . . . . 53 Q CG . 6585 1 514 . 1 1 53 53 GLN N N 15 125.696 0.18 . 1 . . . . 53 Q N . 6585 1 515 . 1 1 53 53 GLN NE2 N 15 112.126 0.10 . 1 . . . . 53 Q NE2 . 6585 1 516 . 1 1 54 54 MET H H 1 8.636 0.05 . 1 . . . . 54 M HN . 6585 1 517 . 1 1 54 54 MET HA H 1 5.119 0.05 . 1 . . . . 54 M HA . 6585 1 518 . 1 1 54 54 MET HB2 H 1 2.221 0.05 . 2 . . . . 54 M HB2 . 6585 1 519 . 1 1 54 54 MET HB3 H 1 1.939 0.05 . 2 . . . . 54 M HB3 . 6585 1 520 . 1 1 54 54 MET HG2 H 1 2.470 0.05 . 2 . . . . 54 M HG2 . 6585 1 521 . 1 1 54 54 MET HG3 H 1 2.626 0.05 . 2 . . . . 54 M HG3 . 6585 1 522 . 1 1 54 54 MET C C 13 174.512 0.10 . 1 . . . . 54 M C . 6585 1 523 . 1 1 54 54 MET CA C 13 55.492 0.25 . 1 . . . . 54 M CA . 6585 1 524 . 1 1 54 54 MET CB C 13 35.082 0.20 . 1 . . . . 54 M CB . 6585 1 525 . 1 1 54 54 MET CG C 13 33.072 0.24 . 1 . . . . 54 M CG . 6585 1 526 . 1 1 54 54 MET N N 15 127.153 0.28 . 1 . . . . 54 M N . 6585 1 527 . 1 1 55 55 SER H H 1 8.814 0.05 . 1 . . . . 55 S HN . 6585 1 528 . 1 1 55 55 SER HA H 1 4.930 0.05 . 1 . . . . 55 S HA . 6585 1 529 . 1 1 55 55 SER HB2 H 1 3.867 0.05 . 2 . . . . 55 S HB2 . 6585 1 530 . 1 1 55 55 SER HB3 H 1 3.912 0.05 . 2 . . . . 55 S HB3 . 6585 1 531 . 1 1 55 55 SER C C 13 173.085 0.12 . 1 . . . . 55 S C . 6585 1 532 . 1 1 55 55 SER CA C 13 57.432 0.21 . 1 . . . . 55 S CA . 6585 1 533 . 1 1 55 55 SER CB C 13 65.730 0.22 . 1 . . . . 55 S CB . 6585 1 534 . 1 1 55 55 SER N N 15 117.928 0.15 . 1 . . . . 55 S N . 6585 1 535 . 1 1 56 56 GLY H H 1 8.410 0.05 . 1 . . . . 56 G HN . 6585 1 536 . 1 1 56 56 GLY HA2 H 1 4.016 0.05 . 2 . . . . 56 G HA1 . 6585 1 537 . 1 1 56 56 GLY HA3 H 1 4.844 0.05 . 2 . . . . 56 G HA2 . 6585 1 538 . 1 1 56 56 GLY C C 13 174.703 0.10 . 1 . . . . 56 G C . 6585 1 539 . 1 1 56 56 GLY CA C 13 45.019 0.12 . 1 . . . . 56 G CA . 6585 1 540 . 1 1 56 56 GLY N N 15 109.622 0.15 . 1 . . . . 56 G N . 6585 1 541 . 1 1 57 57 SER H H 1 8.887 0.05 . 1 . . . . 57 S HN . 6585 1 542 . 1 1 57 57 SER HA H 1 3.894 0.05 . 1 . . . . 57 S HA . 6585 1 543 . 1 1 57 57 SER HB2 H 1 3.957 0.05 . 2 . . . . 57 S HB2 . 6585 1 544 . 1 1 57 57 SER C C 13 176.659 0.10 . 1 . . . . 57 S C . 6585 1 545 . 1 1 57 57 SER CA C 13 62.151 0.12 . 1 . . . . 57 S CA . 6585 1 546 . 1 1 57 57 SER CB C 13 63.014 0.33 . 1 . . . . 57 S CB . 6585 1 547 . 1 1 57 57 SER N N 15 118.525 0.20 . 1 . . . . 57 S N . 6585 1 548 . 1 1 58 58 GLU H H 1 8.732 0.05 . 1 . . . . 58 E HN . 6585 1 549 . 1 1 58 58 GLU HA H 1 4.240 0.05 . 1 . . . . 58 E HA . 6585 1 550 . 1 1 58 58 GLU HB2 H 1 1.891 0.05 . 2 . . . . 58 E HB2 . 6585 1 551 . 1 1 58 58 GLU HG3 H 1 2.280 0.05 . 2 . . . . 58 E HG3 . 6585 1 552 . 1 1 58 58 GLU C C 13 177.716 0.10 . 1 . . . . 58 E C . 6585 1 553 . 1 1 58 58 GLU CA C 13 58.219 0.14 . 1 . . . . 58 E CA . 6585 1 554 . 1 1 58 58 GLU CB C 13 29.282 0.14 . 1 . . . . 58 E CB . 6585 1 555 . 1 1 58 58 GLU CG C 13 36.197 0.11 . 1 . . . . 58 E CG . 6585 1 556 . 1 1 58 58 GLU N N 15 121.291 0.17 . 1 . . . . 58 E N . 6585 1 557 . 1 1 59 59 ILE H H 1 7.575 0.05 . 1 . . . . 59 I HN . 6585 1 558 . 1 1 59 59 ILE HA H 1 4.140 0.05 . 1 . . . . 59 I HA . 6585 1 559 . 1 1 59 59 ILE HB H 1 1.858 0.05 . 1 . . . . 59 I HB . 6585 1 560 . 1 1 59 59 ILE HG12 H 1 1.466 0.05 . 2 . . . . 59 I HG12 . 6585 1 561 . 1 1 59 59 ILE HG13 H 1 1.181 0.05 . 2 . . . . 59 I HG13 . 6585 1 562 . 1 1 59 59 ILE HG21 H 1 0.893 0.05 . 1 . . . . 59 I QG2 . 6585 1 563 . 1 1 59 59 ILE HG22 H 1 0.893 0.05 . 1 . . . . 59 I QG2 . 6585 1 564 . 1 1 59 59 ILE HG23 H 1 0.893 0.05 . 1 . . . . 59 I QG2 . 6585 1 565 . 1 1 59 59 ILE HD11 H 1 0.872 0.05 . 1 . . . . 59 I QD1 . 6585 1 566 . 1 1 59 59 ILE HD12 H 1 0.872 0.05 . 1 . . . . 59 I QD1 . 6585 1 567 . 1 1 59 59 ILE HD13 H 1 0.872 0.05 . 1 . . . . 59 I QD1 . 6585 1 568 . 1 1 59 59 ILE C C 13 178.713 0.10 . 1 . . . . 59 I C . 6585 1 569 . 1 1 59 59 ILE CA C 13 63.385 0.20 . 1 . . . . 59 I CA . 6585 1 570 . 1 1 59 59 ILE CB C 13 38.582 0.30 . 1 . . . . 59 I CB . 6585 1 571 . 1 1 59 59 ILE CG1 C 13 28.723 0.10 . 1 . . . . 59 I CG1 . 6585 1 572 . 1 1 59 59 ILE CG2 C 13 17.942 0.23 . 1 . . . . 59 I CG2 . 6585 1 573 . 1 1 59 59 ILE CD1 C 13 12.821 0.27 . 1 . . . . 59 I CD1 . 6585 1 574 . 1 1 59 59 ILE N N 15 119.261 0.19 . 1 . . . . 59 I N . 6585 1 575 . 1 1 60 60 GLN H H 1 8.247 0.05 . 1 . . . . 60 Q HN . 6585 1 576 . 1 1 60 60 GLN HA H 1 4.788 0.05 . 1 . . . . 60 Q HA . 6585 1 577 . 1 1 60 60 GLN HB2 H 1 2.162 0.05 . 2 . . . . 60 Q HB2 . 6585 1 578 . 1 1 60 60 GLN HG2 H 1 2.577 0.05 . 2 . . . . 60 Q HG2 . 6585 1 579 . 1 1 60 60 GLN HE21 H 1 7.469 0.05 . 2 . . . . 60 Q HE21 . 6585 1 580 . 1 1 60 60 GLN HE22 H 1 6.819 0.05 . 2 . . . . 60 Q HE22 . 6585 1 581 . 1 1 60 60 GLN C C 13 176.572 0.10 . 1 . . . . 60 Q C . 6585 1 582 . 1 1 60 60 GLN CA C 13 57.528 0.18 . 1 . . . . 60 Q CA . 6585 1 583 . 1 1 60 60 GLN CB C 13 29.051 0.25 . 1 . . . . 60 Q CB . 6585 1 584 . 1 1 60 60 GLN CG C 13 36.120 0.10 . 1 . . . . 60 Q CG . 6585 1 585 . 1 1 60 60 GLN N N 15 119.498 0.20 . 1 . . . . 60 Q N . 6585 1 586 . 1 1 60 60 GLN NE2 N 15 113.748 0.12 . 1 . . . . 60 Q NE2 . 6585 1 587 . 1 1 61 61 LYS H H 1 7.038 0.05 . 1 . . . . 61 K HN . 6585 1 588 . 1 1 61 61 LYS HA H 1 3.848 0.05 . 1 . . . . 61 K HA . 6585 1 589 . 1 1 61 61 LYS HB2 H 1 1.179 0.05 . 2 . . . . 61 K HB2 . 6585 1 590 . 1 1 61 61 LYS HB3 H 1 1.312 0.05 . 2 . . . . 61 K HB3 . 6585 1 591 . 1 1 61 61 LYS HG2 H 1 1.185 0.05 . 2 . . . . 61 K HG2 . 6585 1 592 . 1 1 61 61 LYS HG3 H 1 0.929 0.05 . 2 . . . . 61 K HG3 . 6585 1 593 . 1 1 61 61 LYS HD2 H 1 1.481 0.05 . 2 . . . . 61 K HD2 . 6585 1 594 . 1 1 61 61 LYS HE2 H 1 2.794 0.05 . 2 . . . . 61 K HE2 . 6585 1 595 . 1 1 61 61 LYS C C 13 175.971 0.10 . 1 . . . . 61 K C . 6585 1 596 . 1 1 61 61 LYS CA C 13 58.285 0.18 . 1 . . . . 61 K CA . 6585 1 597 . 1 1 61 61 LYS CB C 13 32.426 0.18 . 1 . . . . 61 K CB . 6585 1 598 . 1 1 61 61 LYS CG C 13 24.913 0.24 . 1 . . . . 61 K CG . 6585 1 599 . 1 1 61 61 LYS CD C 13 29.859 0.10 . 1 . . . . 61 K CD . 6585 1 600 . 1 1 61 61 LYS CE C 13 41.883 0.10 . 1 . . . . 61 K CE . 6585 1 601 . 1 1 61 61 LYS N N 15 118.019 0.15 . 1 . . . . 61 K N . 6585 1 602 . 1 1 62 62 TYR H H 1 7.339 0.05 . 1 . . . . 62 Y HN . 6585 1 603 . 1 1 62 62 TYR HA H 1 4.412 0.05 . 1 . . . . 62 Y HA . 6585 1 604 . 1 1 62 62 TYR HB3 H 1 2.228 0.05 . 2 . . . . 62 Y HB3 . 6585 1 605 . 1 1 62 62 TYR HD1 H 1 7.062 0.05 . 4 . . . . 62 Y QD . 6585 1 606 . 1 1 62 62 TYR HD2 H 1 7.062 0.05 . 4 . . . . 62 Y QD . 6585 1 607 . 1 1 62 62 TYR HE1 H 1 6.885 0.05 . 4 . . . . 62 Y QE . 6585 1 608 . 1 1 62 62 TYR HE2 H 1 6.885 0.05 . 4 . . . . 62 Y QE . 6585 1 609 . 1 1 62 62 TYR CA C 13 57.584 0.17 . 1 . . . . 62 Y CA . 6585 1 610 . 1 1 62 62 TYR CB C 13 41.169 0.11 . 1 . . . . 62 Y CB . 6585 1 611 . 1 1 62 62 TYR N N 15 116.169 0.14 . 1 . . . . 62 Y N . 6585 1 612 . 1 1 63 63 PHE H H 1 8.631 0.05 . 1 . . . . 63 F HN . 6585 1 613 . 1 1 63 63 PHE HA H 1 5.258 0.05 . 1 . . . . 63 F HA . 6585 1 614 . 1 1 63 63 PHE HB2 H 1 3.291 0.05 . 2 . . . . 63 F HB2 . 6585 1 615 . 1 1 63 63 PHE HB3 H 1 2.498 0.05 . 2 . . . . 63 F HB3 . 6585 1 616 . 1 1 63 63 PHE HD1 H 1 7.067 0.05 . 1 . . . . 63 F QD . 6585 1 617 . 1 1 63 63 PHE HD2 H 1 7.067 0.05 . 1 . . . . 63 F QD . 6585 1 618 . 1 1 63 63 PHE HE1 H 1 7.225 0.05 . 1 . . . . 63 F QE . 6585 1 619 . 1 1 63 63 PHE HE2 H 1 7.225 0.05 . 1 . . . . 63 F QE . 6585 1 620 . 1 1 63 63 PHE HZ H 1 6.886 0.05 . 2 . . . . 63 F HZ . 6585 1 621 . 1 1 63 63 PHE C C 13 175.041 0.10 . 1 . . . . 63 F C . 6585 1 622 . 1 1 63 63 PHE CA C 13 56.403 0.16 . 1 . . . . 63 F CA . 6585 1 623 . 1 1 63 63 PHE CB C 13 41.085 0.19 . 1 . . . . 63 F CB . 6585 1 624 . 1 1 63 63 PHE N N 15 118.039 0.21 . 1 . . . . 63 F N . 6585 1 625 . 1 1 64 64 LYS H H 1 8.760 0.05 . 1 . . . . 64 K HN . 6585 1 626 . 1 1 64 64 LYS HA H 1 4.257 0.05 . 1 . . . . 64 K HA . 6585 1 627 . 1 1 64 64 LYS HB3 H 1 1.677 0.05 . 2 . . . . 64 K HB3 . 6585 1 628 . 1 1 64 64 LYS HG2 H 1 1.428 0.05 . 2 . . . . 64 K HG2 . 6585 1 629 . 1 1 64 64 LYS HD2 H 1 1.387 0.05 . 2 . . . . 64 K HD2 . 6585 1 630 . 1 1 64 64 LYS HE2 H 1 2.982 0.05 . 2 . . . . 64 K HE2 . 6585 1 631 . 1 1 64 64 LYS C C 13 177.743 0.10 . 1 . . . . 64 K C . 6585 1 632 . 1 1 64 64 LYS CA C 13 58.498 0.19 . 1 . . . . 64 K CA . 6585 1 633 . 1 1 64 64 LYS CB C 13 33.905 0.13 . 1 . . . . 64 K CB . 6585 1 634 . 1 1 64 64 LYS CG C 13 25.690 0.10 . 1 . . . . 64 K CG . 6585 1 635 . 1 1 64 64 LYS CD C 13 29.441 0.10 . 1 . . . . 64 K CD . 6585 1 636 . 1 1 64 64 LYS CE C 13 39.737 0.10 . 1 . . . . 64 K CE . 6585 1 637 . 1 1 64 64 LYS N N 15 125.831 0.17 . 1 . . . . 64 K N . 6585 1 638 . 1 1 65 65 THR H H 1 7.421 0.05 . 1 . . . . 65 T HN . 6585 1 639 . 1 1 65 65 THR HA H 1 4.590 0.05 . 1 . . . . 65 T HA . 6585 1 640 . 1 1 65 65 THR HB H 1 3.982 0.05 . 1 . . . . 65 T HB . 6585 1 641 . 1 1 65 65 THR HG21 H 1 1.204 0.05 . 1 . . . . 65 T QG2 . 6585 1 642 . 1 1 65 65 THR HG22 H 1 1.204 0.05 . 1 . . . . 65 T QG2 . 6585 1 643 . 1 1 65 65 THR HG23 H 1 1.204 0.05 . 1 . . . . 65 T QG2 . 6585 1 644 . 1 1 65 65 THR C C 13 172.579 0.10 . 1 . . . . 65 T C . 6585 1 645 . 1 1 65 65 THR CA C 13 60.804 0.20 . 1 . . . . 65 T CA . 6585 1 646 . 1 1 65 65 THR CB C 13 72.266 0.23 . 1 . . . . 65 T CB . 6585 1 647 . 1 1 65 65 THR CG2 C 13 22.574 0.11 . 1 . . . . 65 T CG2 . 6585 1 648 . 1 1 65 65 THR N N 15 109.145 0.17 . 1 . . . . 65 T N . 6585 1 649 . 1 1 66 66 LEU H H 1 9.072 0.05 . 1 . . . . 66 L HN . 6585 1 650 . 1 1 66 66 LEU HA H 1 4.845 0.05 . 1 . . . . 66 L HA . 6585 1 651 . 1 1 66 66 LEU HB2 H 1 1.925 0.05 . 2 . . . . 66 L HB2 . 6585 1 652 . 1 1 66 66 LEU HB3 H 1 0.956 0.05 . 2 . . . . 66 L HB3 . 6585 1 653 . 1 1 66 66 LEU HG H 1 1.266 0.05 . 1 . . . . 66 L HG . 6585 1 654 . 1 1 66 66 LEU HD11 H 1 0.184 0.05 . 2 . . . . 66 L QD1 . 6585 1 655 . 1 1 66 66 LEU HD12 H 1 0.184 0.05 . 2 . . . . 66 L QD1 . 6585 1 656 . 1 1 66 66 LEU HD13 H 1 0.184 0.05 . 2 . . . . 66 L QD1 . 6585 1 657 . 1 1 66 66 LEU HD21 H 1 0.434 0.05 . 2 . . . . 66 L QD2 . 6585 1 658 . 1 1 66 66 LEU HD22 H 1 0.434 0.05 . 2 . . . . 66 L QD2 . 6585 1 659 . 1 1 66 66 LEU HD23 H 1 0.434 0.05 . 2 . . . . 66 L QD2 . 6585 1 660 . 1 1 66 66 LEU C C 13 173.206 0.10 . 1 . . . . 66 L C . 6585 1 661 . 1 1 66 66 LEU CA C 13 55.528 0.17 . 1 . . . . 66 L CA . 6585 1 662 . 1 1 66 66 LEU CB C 13 44.750 0.15 . 1 . . . . 66 L CB . 6585 1 663 . 1 1 66 66 LEU CG C 13 27.648 0.12 . 1 . . . . 66 L CG . 6585 1 664 . 1 1 66 66 LEU CD1 C 13 23.091 0.10 . 1 . . . . 66 L CD1 . 6585 1 665 . 1 1 66 66 LEU CD2 C 13 26.459 0.12 . 1 . . . . 66 L CD2 . 6585 1 666 . 1 1 66 66 LEU N N 15 128.477 0.19 . 1 . . . . 66 L N . 6585 1 667 . 1 1 67 67 LYS H H 1 8.998 0.05 . 1 . . . . 67 K HN . 6585 1 668 . 1 1 67 67 LYS HA H 1 5.502 0.05 . 1 . . . . 67 K HA . 6585 1 669 . 1 1 67 67 LYS HB3 H 1 1.728 0.05 . 2 . . . . 67 K HB3 . 6585 1 670 . 1 1 67 67 LYS HG2 H 1 1.377 0.05 . 2 . . . . 67 K HG2 . 6585 1 671 . 1 1 67 67 LYS HD2 H 1 1.621 0.05 . 2 . . . . 67 K HD2 . 6585 1 672 . 1 1 67 67 LYS HE2 H 1 2.992 0.05 . 2 . . . . 67 K HE2 . 6585 1 673 . 1 1 67 67 LYS C C 13 175.501 0.10 . 1 . . . . 67 K C . 6585 1 674 . 1 1 67 67 LYS CA C 13 54.392 0.17 . 1 . . . . 67 K CA . 6585 1 675 . 1 1 67 67 LYS CB C 13 36.711 . . 1 . . . . 67 K CB . 6585 1 676 . 1 1 67 67 LYS CG C 13 25.702 0.10 . 1 . . . . 67 K CG . 6585 1 677 . 1 1 67 67 LYS N N 15 126.091 0.15 . 1 . . . . 67 K N . 6585 1 678 . 1 1 68 68 GLY H H 1 9.319 0.05 . 1 . . . . 68 G HN . 6585 1 679 . 1 1 68 68 GLY HA2 H 1 2.815 0.05 . 2 . . . . 68 G HA1 . 6585 1 680 . 1 1 68 68 GLY HA3 H 1 4.922 0.05 . 2 . . . . 68 G HA2 . 6585 1 681 . 1 1 68 68 GLY C C 13 171.858 0.10 . 1 . . . . 68 G C . 6585 1 682 . 1 1 68 68 GLY CA C 13 44.352 0.15 . 1 . . . . 68 G CA . 6585 1 683 . 1 1 68 68 GLY N N 15 111.592 0.19 . 1 . . . . 68 G N . 6585 1 684 . 1 1 69 69 SER H H 1 8.753 0.05 . 1 . . . . 69 S HN . 6585 1 685 . 1 1 69 69 SER HA H 1 5.925 0.05 . 1 . . . . 69 S HA . 6585 1 686 . 1 1 69 69 SER HB2 H 1 3.631 0.05 . 2 . . . . 69 S HB2 . 6585 1 687 . 1 1 69 69 SER HB3 H 1 3.947 0.05 . 2 . . . . 69 S HB3 . 6585 1 688 . 1 1 69 69 SER C C 13 172.268 0.10 . 1 . . . . 69 S C . 6585 1 689 . 1 1 69 69 SER CA C 13 56.841 0.18 . 1 . . . . 69 S CA . 6585 1 690 . 1 1 69 69 SER CB C 13 65.980 0.22 . 1 . . . . 69 S CB . 6585 1 691 . 1 1 69 69 SER N N 15 121.008 0.24 . 1 . . . . 69 S N . 6585 1 692 . 1 1 70 70 ILE H H 1 9.466 0.05 . 1 . . . . 70 I HN . 6585 1 693 . 1 1 70 70 ILE HA H 1 5.881 0.05 . 1 . . . . 70 I HA . 6585 1 694 . 1 1 70 70 ILE HB H 1 2.071 0.05 . 1 . . . . 70 I HB . 6585 1 695 . 1 1 70 70 ILE HG12 H 1 1.160 0.05 . 2 . . . . 70 I HG12 . 6585 1 696 . 1 1 70 70 ILE HG13 H 1 1.606 0.05 . 2 . . . . 70 I HG13 . 6585 1 697 . 1 1 70 70 ILE HG21 H 1 1.300 0.05 . 1 . . . . 70 I QG2 . 6585 1 698 . 1 1 70 70 ILE HG22 H 1 1.300 0.05 . 1 . . . . 70 I QG2 . 6585 1 699 . 1 1 70 70 ILE HG23 H 1 1.300 0.05 . 1 . . . . 70 I QG2 . 6585 1 700 . 1 1 70 70 ILE HD11 H 1 0.228 0.05 . 1 . . . . 70 I QD1 . 6585 1 701 . 1 1 70 70 ILE HD12 H 1 0.228 0.05 . 1 . . . . 70 I QD1 . 6585 1 702 . 1 1 70 70 ILE HD13 H 1 0.228 0.05 . 1 . . . . 70 I QD1 . 6585 1 703 . 1 1 70 70 ILE C C 13 173.925 0.10 . 1 . . . . 70 I C . 6585 1 704 . 1 1 70 70 ILE CA C 13 58.455 0.15 . 1 . . . . 70 I CA . 6585 1 705 . 1 1 70 70 ILE CB C 13 43.261 0.17 . 1 . . . . 70 I CB . 6585 1 706 . 1 1 70 70 ILE CG1 C 13 30.658 0.18 . 1 . . . . 70 I CG1 . 6585 1 707 . 1 1 70 70 ILE CG2 C 13 16.654 0.17 . 1 . . . . 70 I CG2 . 6585 1 708 . 1 1 70 70 ILE CD1 C 13 14.113 0.13 . 1 . . . . 70 I CD1 . 6585 1 709 . 1 1 70 70 ILE N N 15 126.261 0.19 . 1 . . . . 70 I N . 6585 1 710 . 1 1 71 71 ALA H H 1 8.466 0.05 . 1 . . . . 71 A HN . 6585 1 711 . 1 1 71 71 ALA HA H 1 5.189 0.05 . 1 . . . . 71 A HA . 6585 1 712 . 1 1 71 71 ALA HB1 H 1 1.323 0.05 . 1 . . . . 71 A QB . 6585 1 713 . 1 1 71 71 ALA HB2 H 1 1.323 0.05 . 1 . . . . 71 A QB . 6585 1 714 . 1 1 71 71 ALA HB3 H 1 1.323 0.05 . 1 . . . . 71 A QB . 6585 1 715 . 1 1 71 71 ALA C C 13 176.400 0.10 . 1 . . . . 71 A C . 6585 1 716 . 1 1 71 71 ALA CA C 13 52.471 0.12 . 1 . . . . 71 A CA . 6585 1 717 . 1 1 71 71 ALA CB C 13 21.991 0.26 . 1 . . . . 71 A CB . 6585 1 718 . 1 1 71 71 ALA N N 15 130.816 0.16 . 1 . . . . 71 A N . 6585 1 719 . 1 1 72 72 VAL H H 1 8.203 0.05 . 1 . . . . 72 V HN . 6585 1 720 . 1 1 72 72 VAL HA H 1 5.002 0.05 . 1 . . . . 72 V HA . 6585 1 721 . 1 1 72 72 VAL HB H 1 2.199 0.05 . 1 . . . . 72 V HB . 6585 1 722 . 1 1 72 72 VAL HG21 H 1 1.095 0.05 . 2 . . . . 72 V QG2 . 6585 1 723 . 1 1 72 72 VAL HG22 H 1 1.095 0.05 . 2 . . . . 72 V QG2 . 6585 1 724 . 1 1 72 72 VAL HG23 H 1 1.095 0.05 . 2 . . . . 72 V QG2 . 6585 1 725 . 1 1 72 72 VAL C C 13 175.158 0.10 . 1 . . . . 72 V C . 6585 1 726 . 1 1 72 72 VAL CA C 13 61.232 0.12 . 1 . . . . 72 V CA . 6585 1 727 . 1 1 72 72 VAL CB C 13 34.179 0.16 . 1 . . . . 72 V CB . 6585 1 728 . 1 1 72 72 VAL CG1 C 13 22.303 0.31 . 1 . . . . 72 V CG1 . 6585 1 729 . 1 1 72 72 VAL N N 15 126.137 0.22 . 1 . . . . 72 V N . 6585 1 730 . 1 1 73 73 THR H H 1 9.139 0.05 . 1 . . . . 73 T HN . 6585 1 731 . 1 1 73 73 THR HA H 1 5.003 0.05 . 1 . . . . 73 T HA . 6585 1 732 . 1 1 73 73 THR HB H 1 4.098 0.05 . 1 . . . . 73 T HB . 6585 1 733 . 1 1 73 73 THR HG21 H 1 1.270 0.05 . 1 . . . . 73 T QG2 . 6585 1 734 . 1 1 73 73 THR HG22 H 1 1.270 0.05 . 1 . . . . 73 T QG2 . 6585 1 735 . 1 1 73 73 THR HG23 H 1 1.270 0.05 . 1 . . . . 73 T QG2 . 6585 1 736 . 1 1 73 73 THR CA C 13 58.419 0.21 . 1 . . . . 73 T CA . 6585 1 737 . 1 1 73 73 THR CB C 13 71.463 0.25 . 1 . . . . 73 T CB . 6585 1 738 . 1 1 73 73 THR CG2 C 13 21.723 0.11 . 1 . . . . 73 T CG2 . 6585 1 739 . 1 1 73 73 THR N N 15 122.106 0.18 . 1 . . . . 73 T N . 6585 1 740 . 1 1 74 74 PRO HA H 1 4.647 0.05 . 1 . . . . 74 P HA . 6585 1 741 . 1 1 74 74 PRO HB2 H 1 1.859 0.05 . 2 . . . . 74 P HB2 . 6585 1 742 . 1 1 74 74 PRO HB3 H 1 2.472 0.05 . 2 . . . . 74 P HB3 . 6585 1 743 . 1 1 74 74 PRO HD2 H 1 3.061 0.05 . 2 . . . . 74 P HD2 . 6585 1 744 . 1 1 74 74 PRO C C 13 177.031 0.10 . 1 . . . . 74 P C . 6585 1 745 . 1 1 74 74 PRO CA C 13 63.262 0.18 . 1 . . . . 74 P CA . 6585 1 746 . 1 1 74 74 PRO CB C 13 32.683 0.16 . 1 . . . . 74 P CB . 6585 1 747 . 1 1 74 74 PRO CG C 13 27.729 0.10 . 1 . . . . 74 P CG . 6585 1 748 . 1 1 75 75 ILE H H 1 8.049 0.05 . 1 . . . . 75 I HN . 6585 1 749 . 1 1 75 75 ILE HA H 1 3.573 0.05 . 1 . . . . 75 I HA . 6585 1 750 . 1 1 75 75 ILE HB H 1 1.283 0.05 . 1 . . . . 75 I HB . 6585 1 751 . 1 1 75 75 ILE HG12 H 1 0.952 0.05 . 2 . . . . 75 I HG12 . 6585 1 752 . 1 1 75 75 ILE HG13 H 1 -0.288 0.05 . 2 . . . . 75 I HG13 . 6585 1 753 . 1 1 75 75 ILE HG21 H 1 0.673 0.05 . 1 . . . . 75 I QG2 . 6585 1 754 . 1 1 75 75 ILE HG22 H 1 0.673 0.05 . 1 . . . . 75 I QG2 . 6585 1 755 . 1 1 75 75 ILE HG23 H 1 0.673 0.05 . 1 . . . . 75 I QG2 . 6585 1 756 . 1 1 75 75 ILE HD11 H 1 0.529 0.05 . 1 . . . . 75 I QD1 . 6585 1 757 . 1 1 75 75 ILE HD12 H 1 0.529 0.05 . 1 . . . . 75 I QD1 . 6585 1 758 . 1 1 75 75 ILE HD13 H 1 0.529 0.05 . 1 . . . . 75 I QD1 . 6585 1 759 . 1 1 75 75 ILE C C 13 177.183 0.10 . 1 . . . . 75 I C . 6585 1 760 . 1 1 75 75 ILE CA C 13 63.589 0.26 . 1 . . . . 75 I CA . 6585 1 761 . 1 1 75 75 ILE CB C 13 38.044 0.24 . 1 . . . . 75 I CB . 6585 1 762 . 1 1 75 75 ILE CG1 C 13 28.013 0.13 . 1 . . . . 75 I CG1 . 6585 1 763 . 1 1 75 75 ILE CG2 C 13 17.110 0.18 . 1 . . . . 75 I CG2 . 6585 1 764 . 1 1 75 75 ILE CD1 C 13 13.405 0.12 . 1 . . . . 75 I CD1 . 6585 1 765 . 1 1 75 75 ILE N N 15 125.021 0.18 . 1 . . . . 75 I N . 6585 1 766 . 1 1 76 76 GLY H H 1 8.444 0.05 . 1 . . . . 76 G HN . 6585 1 767 . 1 1 76 76 GLY HA2 H 1 3.770 0.05 . 2 . . . . 76 G HA1 . 6585 1 768 . 1 1 76 76 GLY HA3 H 1 4.129 0.05 . 2 . . . . 76 G HA2 . 6585 1 769 . 1 1 76 76 GLY C C 13 174.045 0.10 . 1 . . . . 76 G C . 6585 1 770 . 1 1 76 76 GLY CA C 13 45.899 0.18 . 1 . . . . 76 G CA . 6585 1 771 . 1 1 76 76 GLY N N 15 111.484 0.19 . 1 . . . . 76 G N . 6585 1 772 . 1 1 77 77 VAL H H 1 7.817 0.05 . 1 . . . . 77 V HN . 6585 1 773 . 1 1 77 77 VAL HA H 1 4.103 0.05 . 1 . . . . 77 V HA . 6585 1 774 . 1 1 77 77 VAL HB H 1 2.069 0.05 . 1 . . . . 77 V HB . 6585 1 775 . 1 1 77 77 VAL HG11 H 1 0.928 0.05 . 2 . . . . 77 V QG1 . 6585 1 776 . 1 1 77 77 VAL HG12 H 1 0.928 0.05 . 2 . . . . 77 V QG1 . 6585 1 777 . 1 1 77 77 VAL HG13 H 1 0.928 0.05 . 2 . . . . 77 V QG1 . 6585 1 778 . 1 1 77 77 VAL C C 13 176.399 0.10 . 1 . . . . 77 V C . 6585 1 779 . 1 1 77 77 VAL CA C 13 62.817 0.23 . 1 . . . . 77 V CA . 6585 1 780 . 1 1 77 77 VAL CB C 13 32.419 0.18 . 1 . . . . 77 V CB . 6585 1 781 . 1 1 77 77 VAL CG1 C 13 20.687 0.13 . 1 . . . . 77 V CG1 . 6585 1 782 . 1 1 77 77 VAL N N 15 122.234 0.17 . 1 . . . . 77 V N . 6585 1 783 . 1 1 78 78 GLY H H 1 8.449 0.05 . 1 . . . . 78 G HN . 6585 1 784 . 1 1 78 78 GLY HA2 H 1 3.905 0.05 . 2 . . . . 78 G HA1 . 6585 1 785 . 1 1 78 78 GLY HA3 H 1 4.117 0.05 . 2 . . . . 78 G HA2 . 6585 1 786 . 1 1 78 78 GLY C C 13 173.494 0.10 . 1 . . . . 78 G C . 6585 1 787 . 1 1 78 78 GLY CA C 13 45.071 0.15 . 1 . . . . 78 G CA . 6585 1 788 . 1 1 78 78 GLY N N 15 114.251 0.23 . 1 . . . . 78 G N . 6585 1 789 . 1 1 79 79 ASP H H 1 8.125 0.05 . 1 . . . . 79 D HN . 6585 1 790 . 1 1 79 79 ASP HA H 1 4.774 0.05 . 1 . . . . 79 D HA . 6585 1 791 . 1 1 79 79 ASP HB2 H 1 2.456 0.05 . 2 . . . . 79 D HB2 . 6585 1 792 . 1 1 79 79 ASP HB3 H 1 2.759 0.05 . 2 . . . . 79 D HB3 . 6585 1 793 . 1 1 79 79 ASP C C 13 175.721 0.12 . 1 . . . . 79 D C . 6585 1 794 . 1 1 79 79 ASP CA C 13 54.442 0.14 . 1 . . . . 79 D CA . 6585 1 795 . 1 1 79 79 ASP CB C 13 42.467 0.16 . 1 . . . . 79 D CB . 6585 1 796 . 1 1 79 79 ASP N N 15 121.692 0.14 . 1 . . . . 79 D N . 6585 1 797 . 1 1 80 80 GLY H H 1 8.089 0.05 . 1 . . . . 80 G HN . 6585 1 798 . 1 1 80 80 GLY HA2 H 1 3.732 0.05 . 2 . . . . 80 G HA1 . 6585 1 799 . 1 1 80 80 GLY HA3 H 1 4.242 0.05 . 2 . . . . 80 G HA2 . 6585 1 800 . 1 1 80 80 GLY C C 13 175.160 0.10 . 1 . . . . 80 G C . 6585 1 801 . 1 1 80 80 GLY CA C 13 44.874 0.15 . 1 . . . . 80 G CA . 6585 1 802 . 1 1 80 80 GLY N N 15 108.219 0.16 . 1 . . . . 80 G N . 6585 1 803 . 1 1 81 81 SER H H 1 8.267 0.05 . 1 . . . . 81 S HN . 6585 1 804 . 1 1 81 81 SER HA H 1 5.071 0.05 . 1 . . . . 81 S HA . 6585 1 805 . 1 1 81 81 SER HB2 H 1 3.070 0.05 . 2 . . . . 81 S HB2 . 6585 1 806 . 1 1 81 81 SER HB3 H 1 3.364 0.05 . 2 . . . . 81 S HB3 . 6585 1 807 . 1 1 81 81 SER C C 13 171.739 0.10 . 1 . . . . 81 S C . 6585 1 808 . 1 1 81 81 SER CA C 13 58.477 0.15 . 1 . . . . 81 S CA . 6585 1 809 . 1 1 81 81 SER CB C 13 65.871 0.20 . 1 . . . . 81 S CB . 6585 1 810 . 1 1 81 81 SER N N 15 115.693 0.17 . 1 . . . . 81 S N . 6585 1 811 . 1 1 82 82 HIS H H 1 9.423 0.05 . 1 . . . . 82 H HN . 6585 1 812 . 1 1 82 82 HIS HA H 1 5.236 0.05 . 1 . . . . 82 H HA . 6585 1 813 . 1 1 82 82 HIS HB2 H 1 3.031 0.05 . 1 . . . . 82 H HB2 . 6585 1 814 . 1 1 82 82 HIS C C 13 174.072 0.10 . 1 . . . . 82 H C . 6585 1 815 . 1 1 82 82 HIS CA C 13 54.257 0.13 . 1 . . . . 82 H CA . 6585 1 816 . 1 1 82 82 HIS CB C 13 30.410 0.39 . 1 . . . . 82 H CB . 6585 1 817 . 1 1 82 82 HIS N N 15 123.380 0.26 . 1 . . . . 82 H N . 6585 1 818 . 1 1 83 83 VAL H H 1 8.965 0.05 . 1 . . . . 83 V HN . 6585 1 819 . 1 1 83 83 VAL HA H 1 4.453 0.05 . 1 . . . . 83 V HA . 6585 1 820 . 1 1 83 83 VAL HB H 1 0.313 0.05 . 1 . . . . 83 V HB . 6585 1 821 . 1 1 83 83 VAL HG11 H 1 0.214 0.05 . 2 . . . . 83 V QG1 . 6585 1 822 . 1 1 83 83 VAL HG12 H 1 0.214 0.05 . 2 . . . . 83 V QG1 . 6585 1 823 . 1 1 83 83 VAL HG13 H 1 0.214 0.05 . 2 . . . . 83 V QG1 . 6585 1 824 . 1 1 83 83 VAL C C 13 174.505 0.10 . 1 . . . . 83 V C . 6585 1 825 . 1 1 83 83 VAL CA C 13 61.119 0.17 . 1 . . . . 83 V CA . 6585 1 826 . 1 1 83 83 VAL CB C 13 32.742 0.17 . 1 . . . . 83 V CB . 6585 1 827 . 1 1 83 83 VAL CG1 C 13 22.450 0.10 . 1 . . . . 83 V CG1 . 6585 1 828 . 1 1 83 83 VAL N N 15 126.741 0.17 . 1 . . . . 83 V N . 6585 1 829 . 1 1 84 84 VAL H H 1 8.239 0.05 . 1 . . . . 84 V HN . 6585 1 830 . 1 1 84 84 VAL HA H 1 4.645 0.05 . 1 . . . . 84 V HA . 6585 1 831 . 1 1 84 84 VAL HB H 1 1.864 0.05 . 1 . . . . 84 V HB . 6585 1 832 . 1 1 84 84 VAL HG11 H 1 0.833 0.05 . 2 . . . . 84 V QG1 . 6585 1 833 . 1 1 84 84 VAL HG12 H 1 0.833 0.05 . 2 . . . . 84 V QG1 . 6585 1 834 . 1 1 84 84 VAL HG13 H 1 0.833 0.05 . 2 . . . . 84 V QG1 . 6585 1 835 . 1 1 84 84 VAL C C 13 174.672 0.10 . 1 . . . . 84 V C . 6585 1 836 . 1 1 84 84 VAL CA C 13 61.371 0.20 . 1 . . . . 84 V CA . 6585 1 837 . 1 1 84 84 VAL CB C 13 34.031 0.17 . 1 . . . . 84 V CB . 6585 1 838 . 1 1 84 84 VAL CG1 C 13 21.003 0.10 . 1 . . . . 84 V CG1 . 6585 1 839 . 1 1 84 84 VAL N N 15 126.722 0.29 . 1 . . . . 84 V N . 6585 1 840 . 1 1 85 85 TRP H H 1 8.938 0.05 . 1 . . . . 85 W HN . 6585 1 841 . 1 1 85 85 TRP HA H 1 5.810 0.05 . 1 . . . . 85 W HA . 6585 1 842 . 1 1 85 85 TRP HB2 H 1 2.779 0.05 . 2 . . . . 85 W HB2 . 6585 1 843 . 1 1 85 85 TRP HB3 H 1 3.188 0.05 . 2 . . . . 85 W HB3 . 6585 1 844 . 1 1 85 85 TRP C C 13 173.670 0.10 . 1 . . . . 85 W C . 6585 1 845 . 1 1 85 85 TRP CA C 13 54.699 0.11 . 1 . . . . 85 W CA . 6585 1 846 . 1 1 85 85 TRP CB C 13 33.113 0.29 . 1 . . . . 85 W CB . 6585 1 847 . 1 1 85 85 TRP N N 15 131.537 0.15 . 1 . . . . 85 W N . 6585 1 848 . 1 1 86 86 THR H H 1 8.373 0.05 . 1 . . . . 86 T HN . 6585 1 849 . 1 1 86 86 THR HA H 1 5.316 0.05 . 1 . . . . 86 T HA . 6585 1 850 . 1 1 86 86 THR HB H 1 4.017 0.05 . 1 . . . . 86 T HB . 6585 1 851 . 1 1 86 86 THR HG21 H 1 1.203 0.05 . 2 . . . . 86 T QG2 . 6585 1 852 . 1 1 86 86 THR HG22 H 1 1.203 0.05 . 2 . . . . 86 T QG2 . 6585 1 853 . 1 1 86 86 THR HG23 H 1 1.203 0.05 . 2 . . . . 86 T QG2 . 6585 1 854 . 1 1 86 86 THR C C 13 173.677 0.10 . 1 . . . . 86 T C . 6585 1 855 . 1 1 86 86 THR CA C 13 60.303 0.21 . 1 . . . . 86 T CA . 6585 1 856 . 1 1 86 86 THR CB C 13 71.832 0.26 . 1 . . . . 86 T CB . 6585 1 857 . 1 1 86 86 THR CG2 C 13 22.782 0.10 . 1 . . . . 86 T CG2 . 6585 1 858 . 1 1 86 86 THR N N 15 123.452 0.18 . 1 . . . . 86 T N . 6585 1 859 . 1 1 87 87 PHE H H 1 9.093 0.05 . 1 . . . . 87 F HN . 6585 1 860 . 1 1 87 87 PHE HA H 1 5.685 0.05 . 1 . . . . 87 F HA . 6585 1 861 . 1 1 87 87 PHE HB2 H 1 2.793 0.05 . 1 . . . . 87 F HB2 . 6585 1 862 . 1 1 87 87 PHE HD1 H 1 7.069 0.05 . 4 . . . . 87 F QD . 6585 1 863 . 1 1 87 87 PHE HD2 H 1 7.069 0.05 . 4 . . . . 87 F QD . 6585 1 864 . 1 1 87 87 PHE C C 13 174.847 0.10 . 1 . . . . 87 F C . 6585 1 865 . 1 1 87 87 PHE CA C 13 55.906 0.14 . 1 . . . . 87 F CA . 6585 1 866 . 1 1 87 87 PHE CB C 13 41.806 0.18 . 1 . . . . 87 F CB . 6585 1 867 . 1 1 87 87 PHE N N 15 124.035 0.18 . 1 . . . . 87 F N . 6585 1 868 . 1 1 88 88 HIS H H 1 9.167 0.05 . 1 . . . . 88 H HN . 6585 1 869 . 1 1 88 88 HIS HA H 1 4.857 0.05 . 1 . . . . 88 H HA . 6585 1 870 . 1 1 88 88 HIS HB2 H 1 2.760 0.05 . 2 . . . . 88 H HB2 . 6585 1 871 . 1 1 88 88 HIS HB3 H 1 3.024 0.05 . 2 . . . . 88 H HB3 . 6585 1 872 . 1 1 88 88 HIS C C 13 175.559 0.10 . 1 . . . . 88 H C . 6585 1 873 . 1 1 88 88 HIS CA C 13 55.962 0.14 . 1 . . . . 88 H CA . 6585 1 874 . 1 1 88 88 HIS CB C 13 32.467 0.10 . 1 . . . . 88 H CB . 6585 1 875 . 1 1 88 88 HIS N N 15 123.437 0.19 . 1 . . . . 88 H N . 6585 1 876 . 1 1 89 89 PHE H H 1 8.157 0.05 . 1 . . . . 89 F HN . 6585 1 877 . 1 1 89 89 PHE HA H 1 5.558 0.05 . 1 . . . . 89 F HA . 6585 1 878 . 1 1 89 89 PHE HB2 H 1 2.554 0.05 . 2 . . . . 89 F HB2 . 6585 1 879 . 1 1 89 89 PHE HB3 H 1 2.965 0.05 . 2 . . . . 89 F HB3 . 6585 1 880 . 1 1 89 89 PHE HD1 H 1 6.773 0.05 . 4 . . . . 89 F QD . 6585 1 881 . 1 1 89 89 PHE HD2 H 1 6.773 0.05 . 4 . . . . 89 F QD . 6585 1 882 . 1 1 89 89 PHE HE1 H 1 7.134 0.05 . 4 . . . . 89 F QE . 6585 1 883 . 1 1 89 89 PHE HE2 H 1 7.134 0.05 . 4 . . . . 89 F QE . 6585 1 884 . 1 1 89 89 PHE C C 13 173.849 0.10 . 1 . . . . 89 F C . 6585 1 885 . 1 1 89 89 PHE CA C 13 54.662 0.14 . 1 . . . . 89 F CA . 6585 1 886 . 1 1 89 89 PHE CB C 13 43.721 0.16 . 1 . . . . 89 F CB . 6585 1 887 . 1 1 89 89 PHE N N 15 121.292 0.19 . 1 . . . . 89 F N . 6585 1 888 . 1 1 90 90 GLU H H 1 8.380 0.05 . 1 . . . . 90 E HN . 6585 1 889 . 1 1 90 90 GLU HA H 1 5.160 0.05 . 1 . . . . 90 E HA . 6585 1 890 . 1 1 90 90 GLU HB2 H 1 2.024 0.05 . 2 . . . . 90 E HB2 . 6585 1 891 . 1 1 90 90 GLU HG3 H 1 2.167 0.05 . 2 . . . . 90 E HG3 . 6585 1 892 . 1 1 90 90 GLU C C 13 176.735 0.10 . 1 . . . . 90 E C . 6585 1 893 . 1 1 90 90 GLU CA C 13 55.453 0.13 . 1 . . . . 90 E CA . 6585 1 894 . 1 1 90 90 GLU CB C 13 32.667 0.23 . 1 . . . . 90 E CB . 6585 1 895 . 1 1 90 90 GLU CG C 13 36.523 0.18 . 1 . . . . 90 E CG . 6585 1 896 . 1 1 90 90 GLU N N 15 120.750 0.15 . 1 . . . . 90 E N . 6585 1 897 . 1 1 91 91 LYS H H 1 9.526 0.05 . 1 . . . . 91 K HN . 6585 1 898 . 1 1 91 91 LYS HA H 1 4.776 0.05 . 1 . . . . 91 K HA . 6585 1 899 . 1 1 91 91 LYS HB2 H 1 2.160 0.05 . 2 . . . . 91 K HB2 . 6585 1 900 . 1 1 91 91 LYS HB3 H 1 1.836 0.05 . 2 . . . . 91 K HB3 . 6585 1 901 . 1 1 91 91 LYS C C 13 176.331 0.10 . 1 . . . . 91 K C . 6585 1 902 . 1 1 91 91 LYS CA C 13 57.647 0.20 . 1 . . . . 91 K CA . 6585 1 903 . 1 1 91 91 LYS CB C 13 35.980 0.14 . 1 . . . . 91 K CB . 6585 1 904 . 1 1 91 91 LYS N N 15 129.658 0.15 . 1 . . . . 91 K N . 6585 1 905 . 1 1 92 92 VAL H H 1 8.107 0.05 . 1 . . . . 92 V HN . 6585 1 906 . 1 1 92 92 VAL HA H 1 3.826 0.05 . 1 . . . . 92 V HA . 6585 1 907 . 1 1 92 92 VAL HB H 1 1.882 0.05 . 1 . . . . 92 V HB . 6585 1 908 . 1 1 92 92 VAL HG21 H 1 0.823 0.05 . 2 . . . . 92 V QG2 . 6585 1 909 . 1 1 92 92 VAL HG22 H 1 0.823 0.05 . 2 . . . . 92 V QG2 . 6585 1 910 . 1 1 92 92 VAL HG23 H 1 0.823 0.05 . 2 . . . . 92 V QG2 . 6585 1 911 . 1 1 92 92 VAL C C 13 175.635 0.10 . 1 . . . . 92 V C . 6585 1 912 . 1 1 92 92 VAL CA C 13 65.242 0.22 . 1 . . . . 92 V CA . 6585 1 913 . 1 1 92 92 VAL CB C 13 32.399 0.14 . 1 . . . . 92 V CB . 6585 1 914 . 1 1 92 92 VAL CG1 C 13 21.056 0.10 . 1 . . . . 92 V CG1 . 6585 1 915 . 1 1 92 92 VAL CG2 C 13 21.629 0.10 . 1 . . . . 92 V CG2 . 6585 1 916 . 1 1 92 92 VAL N N 15 116.541 0.15 . 1 . . . . 92 V N . 6585 1 917 . 1 1 93 93 HIS H H 1 6.976 0.05 . 1 . . . . 93 H HN . 6585 1 918 . 1 1 93 93 HIS HA H 1 4.552 0.05 . 1 . . . . 93 H HA . 6585 1 919 . 1 1 93 93 HIS HB2 H 1 4.590 0.05 . 2 . . . . 93 H HB2 . 6585 1 920 . 1 1 93 93 HIS HB3 H 1 3.229 0.05 . 2 . . . . 93 H HB3 . 6585 1 921 . 1 1 93 93 HIS C C 13 175.119 0.10 . 1 . . . . 93 H C . 6585 1 922 . 1 1 93 93 HIS CA C 13 55.951 0.13 . 1 . . . . 93 H CA . 6585 1 923 . 1 1 93 93 HIS CB C 13 33.142 0.13 . 1 . . . . 93 H CB . 6585 1 924 . 1 1 93 93 HIS N N 15 113.677 0.20 . 1 . . . . 93 H N . 6585 1 925 . 1 1 94 94 LYS H H 1 8.582 0.05 . 1 . . . . 94 K HN . 6585 1 926 . 1 1 94 94 LYS HA H 1 4.037 0.05 . 1 . . . . 94 K HA . 6585 1 927 . 1 1 94 94 LYS HB2 H 1 2.005 0.05 . 2 . . . . 94 K HB2 . 6585 1 928 . 1 1 94 94 LYS HG3 H 1 1.411 0.05 . 2 . . . . 94 K HG3 . 6585 1 929 . 1 1 94 94 LYS HD3 H 1 1.757 0.05 . 2 . . . . 94 K HD3 . 6585 1 930 . 1 1 94 94 LYS C C 13 176.512 0.10 . 1 . . . . 94 K C . 6585 1 931 . 1 1 94 94 LYS CA C 13 58.633 0.15 . 1 . . . . 94 K CA . 6585 1 932 . 1 1 94 94 LYS CB C 13 32.618 0.20 . 1 . . . . 94 K CB . 6585 1 933 . 1 1 94 94 LYS CG C 13 23.820 0.10 . 1 . . . . 94 K CG . 6585 1 934 . 1 1 94 94 LYS CD C 13 29.562 0.10 . 1 . . . . 94 K CD . 6585 1 935 . 1 1 94 94 LYS N N 15 119.413 0.23 . 1 . . . . 94 K N . 6585 1 936 . 1 1 95 95 ASP H H 1 9.717 0.05 . 1 . . . . 95 D HN . 6585 1 937 . 1 1 95 95 ASP HA H 1 4.939 0.05 . 1 . . . . 95 D HA . 6585 1 938 . 1 1 95 95 ASP HB2 H 1 2.698 0.05 . 2 . . . . 95 D HB2 . 6585 1 939 . 1 1 95 95 ASP HB3 H 1 3.037 0.05 . 2 . . . . 95 D HB3 . 6585 1 940 . 1 1 95 95 ASP C C 13 175.988 0.12 . 1 . . . . 95 D C . 6585 1 941 . 1 1 95 95 ASP CA C 13 55.016 0.12 . 1 . . . . 95 D CA . 6585 1 942 . 1 1 95 95 ASP CB C 13 41.021 0.11 . 1 . . . . 95 D CB . 6585 1 943 . 1 1 95 95 ASP N N 15 123.165 0.15 . 1 . . . . 95 D N . 6585 1 944 . 1 1 96 96 ILE H H 1 7.101 0.05 . 1 . . . . 96 I HN . 6585 1 945 . 1 1 96 96 ILE HA H 1 3.943 0.05 . 1 . . . . 96 I HA . 6585 1 946 . 1 1 96 96 ILE HB H 1 1.939 0.05 . 1 . . . . 96 I HB . 6585 1 947 . 1 1 96 96 ILE HG12 H 1 1.447 0.05 . 2 . . . . 96 I HG12 . 6585 1 948 . 1 1 96 96 ILE HG13 H 1 1.265 0.05 . 2 . . . . 96 I HG13 . 6585 1 949 . 1 1 96 96 ILE HG21 H 1 0.833 0.05 . 2 . . . . 96 I QG2 . 6585 1 950 . 1 1 96 96 ILE HG22 H 1 0.833 0.05 . 2 . . . . 96 I QG2 . 6585 1 951 . 1 1 96 96 ILE HG23 H 1 0.833 0.05 . 2 . . . . 96 I QG2 . 6585 1 952 . 1 1 96 96 ILE HD11 H 1 0.780 0.05 . 2 . . . . 96 I QD1 . 6585 1 953 . 1 1 96 96 ILE HD12 H 1 0.780 0.05 . 2 . . . . 96 I QD1 . 6585 1 954 . 1 1 96 96 ILE HD13 H 1 0.780 0.05 . 2 . . . . 96 I QD1 . 6585 1 955 . 1 1 96 96 ILE C C 13 175.767 0.10 . 1 . . . . 96 I C . 6585 1 956 . 1 1 96 96 ILE CA C 13 58.601 0.13 . 1 . . . . 96 I CA . 6585 1 957 . 1 1 96 96 ILE CB C 13 37.621 0.11 . 1 . . . . 96 I CB . 6585 1 958 . 1 1 96 96 ILE CG1 C 13 26.881 0.10 . 1 . . . . 96 I CG1 . 6585 1 959 . 1 1 96 96 ILE CG2 C 13 16.916 0.10 . 1 . . . . 96 I CG2 . 6585 1 960 . 1 1 96 96 ILE CD1 C 13 11.754 0.21 . 1 . . . . 96 I CD1 . 6585 1 961 . 1 1 96 96 ILE N N 15 124.264 0.18 . 1 . . . . 96 I N . 6585 1 962 . 1 1 97 97 ASP H H 1 8.561 0.05 . 1 . . . . 97 D HN . 6585 1 963 . 1 1 97 97 ASP HA H 1 4.609 0.05 . 1 . . . . 97 D HA . 6585 1 964 . 1 1 97 97 ASP HB2 H 1 2.550 0.05 . 2 . . . . 97 D HB2 . 6585 1 965 . 1 1 97 97 ASP HB3 H 1 2.837 0.05 . 2 . . . . 97 D HB3 . 6585 1 966 . 1 1 97 97 ASP C C 13 177.612 0.10 . 1 . . . . 97 D C . 6585 1 967 . 1 1 97 97 ASP CA C 13 54.675 0.10 . 1 . . . . 97 D CA . 6585 1 968 . 1 1 97 97 ASP CB C 13 41.202 0.12 . 1 . . . . 97 D CB . 6585 1 969 . 1 1 97 97 ASP N N 15 129.132 0.15 . 1 . . . . 97 D N . 6585 1 970 . 1 1 98 98 ASP H H 1 8.636 0.05 . 1 . . . . 98 D HN . 6585 1 971 . 1 1 98 98 ASP HA H 1 4.081 0.05 . 1 . . . . 98 D HA . 6585 1 972 . 1 1 98 98 ASP HB2 H 1 2.105 0.05 . 2 . . . . 98 D HB2 . 6585 1 973 . 1 1 98 98 ASP HB3 H 1 2.413 0.05 . 2 . . . . 98 D HB3 . 6585 1 974 . 1 1 98 98 ASP CA C 13 53.507 0.10 . 1 . . . . 98 D CA . 6585 1 975 . 1 1 98 98 ASP CB C 13 39.105 0.17 . 1 . . . . 98 D CB . 6585 1 976 . 1 1 98 98 ASP N N 15 122.991 0.17 . 1 . . . . 98 D N . 6585 1 977 . 1 1 101 101 SER HA H 1 4.329 0.05 . 1 . . . . 101 S HA . 6585 1 978 . 1 1 101 101 SER HB2 H 1 3.933 0.05 . 2 . . . . 101 S HB2 . 6585 1 979 . 1 1 101 101 SER C C 13 177.070 0.10 . 1 . . . . 101 S C . 6585 1 980 . 1 1 101 101 SER CA C 13 61.901 0.22 . 1 . . . . 101 S CA . 6585 1 981 . 1 1 101 101 SER CB C 13 62.058 0.10 . 1 . . . . 101 S CB . 6585 1 982 . 1 1 102 102 ILE H H 1 7.140 0.05 . 1 . . . . 102 I HN . 6585 1 983 . 1 1 102 102 ILE HA H 1 4.123 0.05 . 1 . . . . 102 I HA . 6585 1 984 . 1 1 102 102 ILE HB H 1 1.634 0.05 . 1 . . . . 102 I HB . 6585 1 985 . 1 1 102 102 ILE HG12 H 1 0.987 0.05 . 2 . . . . 102 I HG12 . 6585 1 986 . 1 1 102 102 ILE HG13 H 1 1.413 0.05 . 2 . . . . 102 I HG13 . 6585 1 987 . 1 1 102 102 ILE HG21 H 1 0.840 0.05 . 1 . . . . 102 I QG2 . 6585 1 988 . 1 1 102 102 ILE HG22 H 1 0.840 0.05 . 1 . . . . 102 I QG2 . 6585 1 989 . 1 1 102 102 ILE HG23 H 1 0.840 0.05 . 1 . . . . 102 I QG2 . 6585 1 990 . 1 1 102 102 ILE HD11 H 1 0.477 0.05 . 1 . . . . 102 I QD1 . 6585 1 991 . 1 1 102 102 ILE HD12 H 1 0.477 0.05 . 1 . . . . 102 I QD1 . 6585 1 992 . 1 1 102 102 ILE HD13 H 1 0.477 0.05 . 1 . . . . 102 I QD1 . 6585 1 993 . 1 1 102 102 ILE C C 13 180.293 0.10 . 1 . . . . 102 I C . 6585 1 994 . 1 1 102 102 ILE CA C 13 64.026 0.11 . 1 . . . . 102 I CA . 6585 1 995 . 1 1 102 102 ILE CB C 13 37.849 0.13 . 1 . . . . 102 I CB . 6585 1 996 . 1 1 102 102 ILE CG2 C 13 18.175 0.17 . 1 . . . . 102 I CG2 . 6585 1 997 . 1 1 102 102 ILE CD1 C 13 12.881 0.18 . 1 . . . . 102 I CD1 . 6585 1 998 . 1 1 102 102 ILE N N 15 120.842 0.21 . 1 . . . . 102 I N . 6585 1 999 . 1 1 103 103 ILE H H 1 8.159 0.05 . 1 . . . . 103 I HN . 6585 1 1000 . 1 1 103 103 ILE HA H 1 4.171 0.05 . 1 . . . . 103 I HA . 6585 1 1001 . 1 1 103 103 ILE HB H 1 2.317 0.05 . 1 . . . . 103 I HB . 6585 1 1002 . 1 1 103 103 ILE HG12 H 1 1.575 0.05 . 2 . . . . 103 I HG12 . 6585 1 1003 . 1 1 103 103 ILE HG21 H 1 1.157 0.05 . 2 . . . . 103 I QG2 . 6585 1 1004 . 1 1 103 103 ILE HG22 H 1 1.157 0.05 . 2 . . . . 103 I QG2 . 6585 1 1005 . 1 1 103 103 ILE HG23 H 1 1.157 0.05 . 2 . . . . 103 I QG2 . 6585 1 1006 . 1 1 103 103 ILE HD11 H 1 0.829 0.05 . 2 . . . . 103 I QD1 . 6585 1 1007 . 1 1 103 103 ILE HD12 H 1 0.829 0.05 . 2 . . . . 103 I QD1 . 6585 1 1008 . 1 1 103 103 ILE HD13 H 1 0.829 0.05 . 2 . . . . 103 I QD1 . 6585 1 1009 . 1 1 103 103 ILE C C 13 177.569 0.10 . 1 . . . . 103 I C . 6585 1 1010 . 1 1 103 103 ILE CA C 13 64.912 0.24 . 1 . . . . 103 I CA . 6585 1 1011 . 1 1 103 103 ILE CB C 13 36.619 0.15 . 1 . . . . 103 I CB . 6585 1 1012 . 1 1 103 103 ILE CG2 C 13 16.935 0.18 . 1 . . . . 103 I CG2 . 6585 1 1013 . 1 1 103 103 ILE CD1 C 13 11.902 0.16 . 1 . . . . 103 I CD1 . 6585 1 1014 . 1 1 103 103 ILE N N 15 127.131 0.13 . 1 . . . . 103 I N . 6585 1 1015 . 1 1 104 104 ASP H H 1 8.247 0.05 . 1 . . . . 104 D HN . 6585 1 1016 . 1 1 104 104 ASP HA H 1 4.470 0.05 . 1 . . . . 104 D HA . 6585 1 1017 . 1 1 104 104 ASP HB3 H 1 2.792 0.05 . 2 . . . . 104 D HB3 . 6585 1 1018 . 1 1 104 104 ASP C C 13 179.502 0.10 . 1 . . . . 104 D C . 6585 1 1019 . 1 1 104 104 ASP CA C 13 57.977 0.15 . 1 . . . . 104 D CA . 6585 1 1020 . 1 1 104 104 ASP CB C 13 40.644 0.16 . 1 . . . . 104 D CB . 6585 1 1021 . 1 1 104 104 ASP N N 15 123.837 0.21 . 1 . . . . 104 D N . 6585 1 1022 . 1 1 105 105 GLU H H 1 7.910 0.05 . 1 . . . . 105 E HN . 6585 1 1023 . 1 1 105 105 GLU HA H 1 4.040 0.05 . 1 . . . . 105 E HA . 6585 1 1024 . 1 1 105 105 GLU HB2 H 1 2.158 0.05 . 2 . . . . 105 E HB2 . 6585 1 1025 . 1 1 105 105 GLU HG3 H 1 2.351 0.05 . 2 . . . . 105 E HG3 . 6585 1 1026 . 1 1 105 105 GLU C C 13 179.680 0.10 . 1 . . . . 105 E C . 6585 1 1027 . 1 1 105 105 GLU CA C 13 59.344 0.20 . 1 . . . . 105 E CA . 6585 1 1028 . 1 1 105 105 GLU CB C 13 30.030 0.11 . 1 . . . . 105 E CB . 6585 1 1029 . 1 1 105 105 GLU CG C 13 36.406 0.11 . 1 . . . . 105 E CG . 6585 1 1030 . 1 1 105 105 GLU N N 15 119.884 0.25 . 1 . . . . 105 E N . 6585 1 1031 . 1 1 106 106 SER H H 1 8.258 0.05 . 1 . . . . 106 S HN . 6585 1 1032 . 1 1 106 106 SER HA H 1 3.974 0.05 . 1 . . . . 106 S HA . 6585 1 1033 . 1 1 106 106 SER HB2 H 1 3.533 0.05 . 2 . . . . 106 S HB2 . 6585 1 1034 . 1 1 106 106 SER HB3 H 1 4.244 0.05 . 2 . . . . 106 S HB3 . 6585 1 1035 . 1 1 106 106 SER C C 13 174.253 0.10 . 1 . . . . 106 S C . 6585 1 1036 . 1 1 106 106 SER CA C 13 62.570 0.22 . 1 . . . . 106 S CA . 6585 1 1037 . 1 1 106 106 SER N N 15 118.918 0.15 . 1 . . . . 106 S N . 6585 1 1038 . 1 1 107 107 VAL H H 1 8.308 0.05 . 1 . . . . 107 V HN . 6585 1 1039 . 1 1 107 107 VAL HA H 1 3.293 0.05 . 1 . . . . 107 V HA . 6585 1 1040 . 1 1 107 107 VAL HB H 1 2.088 0.05 . 1 . . . . 107 V HB . 6585 1 1041 . 1 1 107 107 VAL HG11 H 1 0.471 0.05 . 2 . . . . 107 V QG1 . 6585 1 1042 . 1 1 107 107 VAL HG12 H 1 0.471 0.05 . 2 . . . . 107 V QG1 . 6585 1 1043 . 1 1 107 107 VAL HG13 H 1 0.471 0.05 . 2 . . . . 107 V QG1 . 6585 1 1044 . 1 1 107 107 VAL HG21 H 1 1.065 0.05 . 2 . . . . 107 V QG2 . 6585 1 1045 . 1 1 107 107 VAL HG22 H 1 1.065 0.05 . 2 . . . . 107 V QG2 . 6585 1 1046 . 1 1 107 107 VAL HG23 H 1 1.065 0.05 . 2 . . . . 107 V QG2 . 6585 1 1047 . 1 1 107 107 VAL C C 13 177.346 0.10 . 1 . . . . 107 V C . 6585 1 1048 . 1 1 107 107 VAL CA C 13 67.574 0.20 . 1 . . . . 107 V CA . 6585 1 1049 . 1 1 107 107 VAL CB C 13 31.712 0.22 . 1 . . . . 107 V CB . 6585 1 1050 . 1 1 107 107 VAL CG1 C 13 20.722 0.19 . 1 . . . . 107 V CG1 . 6585 1 1051 . 1 1 107 107 VAL CG2 C 13 24.094 0.20 . 1 . . . . 107 V CG2 . 6585 1 1052 . 1 1 107 107 VAL N N 15 123.949 0.15 . 1 . . . . 107 V N . 6585 1 1053 . 1 1 108 108 LYS H H 1 7.516 0.05 . 1 . . . . 108 K HN . 6585 1 1054 . 1 1 108 108 LYS HA H 1 3.855 0.05 . 1 . . . . 108 K HA . 6585 1 1055 . 1 1 108 108 LYS HB3 H 1 1.863 0.05 . 2 . . . . 108 K HB3 . 6585 1 1056 . 1 1 108 108 LYS HG2 H 1 1.395 0.05 . 2 . . . . 108 K HG2 . 6585 1 1057 . 1 1 108 108 LYS HG3 H 1 1.517 0.05 . 2 . . . . 108 K HG3 . 6585 1 1058 . 1 1 108 108 LYS HD3 H 1 1.641 0.05 . 1 . . . . 108 K HD3 . 6585 1 1059 . 1 1 108 108 LYS HE3 H 1 2.736 0.05 . 1 . . . . 108 K HE3 . 6585 1 1060 . 1 1 108 108 LYS C C 13 179.294 0.10 . 1 . . . . 108 K C . 6585 1 1061 . 1 1 108 108 LYS CA C 13 60.028 0.13 . 1 . . . . 108 K CA . 6585 1 1062 . 1 1 108 108 LYS CB C 13 32.630 0.13 . 1 . . . . 108 K CB . 6585 1 1063 . 1 1 108 108 LYS CG C 13 25.853 0.12 . 1 . . . . 108 K CG . 6585 1 1064 . 1 1 108 108 LYS CD C 13 29.747 0.10 . 1 . . . . 108 K CD . 6585 1 1065 . 1 1 108 108 LYS CE C 13 39.300 0.10 . 1 . . . . 108 K CE . 6585 1 1066 . 1 1 108 108 LYS N N 15 119.294 0.18 . 1 . . . . 108 K N . 6585 1 1067 . 1 1 109 109 TYR H H 1 7.540 0.05 . 1 . . . . 109 Y HN . 6585 1 1068 . 1 1 109 109 TYR HA H 1 4.138 0.05 . 1 . . . . 109 Y HA . 6585 1 1069 . 1 1 109 109 TYR HB3 H 1 2.965 0.05 . 1 . . . . 109 Y HB3 . 6585 1 1070 . 1 1 109 109 TYR C C 13 176.959 0.10 . 1 . . . . 109 Y C . 6585 1 1071 . 1 1 109 109 TYR CA C 13 60.862 0.10 . 1 . . . . 109 Y CA . 6585 1 1072 . 1 1 109 109 TYR CB C 13 37.183 0.17 . 1 . . . . 109 Y CB . 6585 1 1073 . 1 1 109 109 TYR N N 15 121.510 0.18 . 1 . . . . 109 Y N . 6585 1 1074 . 1 1 110 110 PHE H H 1 8.485 0.05 . 1 . . . . 110 F HN . 6585 1 1075 . 1 1 110 110 PHE HB2 H 1 1.987 0.05 . 1 . . . . 110 F HB2 . 6585 1 1076 . 1 1 110 110 PHE HD1 H 1 6.341 0.05 . 4 . . . . 110 F QD . 6585 1 1077 . 1 1 110 110 PHE HD2 H 1 6.341 0.05 . 4 . . . . 110 F QD . 6585 1 1078 . 1 1 110 110 PHE HE1 H 1 6.628 0.05 . 4 . . . . 110 F QE . 6585 1 1079 . 1 1 110 110 PHE HE2 H 1 6.628 0.05 . 4 . . . . 110 F QE . 6585 1 1080 . 1 1 110 110 PHE C C 13 178.376 0.10 . 1 . . . . 110 F C . 6585 1 1081 . 1 1 110 110 PHE CA C 13 61.449 0.15 . 1 . . . . 110 F CA . 6585 1 1082 . 1 1 110 110 PHE CB C 13 39.773 0.16 . 1 . . . . 110 F CB . 6585 1 1083 . 1 1 110 110 PHE N N 15 121.716 0.18 . 1 . . . . 110 F N . 6585 1 1084 . 1 1 111 111 LYS H H 1 8.360 0.05 . 1 . . . . 111 K HN . 6585 1 1085 . 1 1 111 111 LYS HA H 1 4.158 0.05 . 1 . . . . 111 K HA . 6585 1 1086 . 1 1 111 111 LYS HB3 H 1 2.110 0.05 . 2 . . . . 111 K HB3 . 6585 1 1087 . 1 1 111 111 LYS HG2 H 1 1.465 0.05 . 2 . . . . 111 K HG2 . 6585 1 1088 . 1 1 111 111 LYS HD3 H 1 1.740 0.05 . 2 . . . . 111 K HD3 . 6585 1 1089 . 1 1 111 111 LYS C C 13 179.429 0.10 . 1 . . . . 111 K C . 6585 1 1090 . 1 1 111 111 LYS CA C 13 59.650 0.16 . 1 . . . . 111 K CA . 6585 1 1091 . 1 1 111 111 LYS CB C 13 32.335 0.15 . 1 . . . . 111 K CB . 6585 1 1092 . 1 1 111 111 LYS CG C 13 26.306 0.10 . 1 . . . . 111 K CG . 6585 1 1093 . 1 1 111 111 LYS CD C 13 29.494 0.10 . 1 . . . . 111 K CD . 6585 1 1094 . 1 1 111 111 LYS N N 15 119.811 0.14 . 1 . . . . 111 K N . 6585 1 1095 . 1 1 112 112 LYS H H 1 7.786 0.05 . 1 . . . . 112 K HN . 6585 1 1096 . 1 1 112 112 LYS HA H 1 4.127 0.05 . 1 . . . . 112 K HA . 6585 1 1097 . 1 1 112 112 LYS HB3 H 1 1.875 0.05 . 2 . . . . 112 K HB3 . 6585 1 1098 . 1 1 112 112 LYS HG3 H 1 1.480 0.05 . 2 . . . . 112 K HG3 . 6585 1 1099 . 1 1 112 112 LYS HD2 H 1 1.652 0.05 . 2 . . . . 112 K HD2 . 6585 1 1100 . 1 1 112 112 LYS HE2 H 1 2.984 0.05 . 2 . . . . 112 K HE2 . 6585 1 1101 . 1 1 112 112 LYS HE3 H 1 3.114 0.05 . 2 . . . . 112 K HE3 . 6585 1 1102 . 1 1 112 112 LYS C C 13 179.221 0.10 . 1 . . . . 112 K C . 6585 1 1103 . 1 1 112 112 LYS CA C 13 59.041 0.14 . 1 . . . . 112 K CA . 6585 1 1104 . 1 1 112 112 LYS CB C 13 32.118 0.11 . 1 . . . . 112 K CB . 6585 1 1105 . 1 1 112 112 LYS CG C 13 25.441 0.11 . 1 . . . . 112 K CG . 6585 1 1106 . 1 1 112 112 LYS CD C 13 29.532 0.12 . 1 . . . . 112 K CD . 6585 1 1107 . 1 1 112 112 LYS N N 15 122.682 0.23 . 1 . . . . 112 K N . 6585 1 1108 . 1 1 113 113 LEU H H 1 8.335 0.05 . 1 . . . . 113 L HN . 6585 1 1109 . 1 1 113 113 LEU HA H 1 4.008 0.05 . 1 . . . . 113 L HA . 6585 1 1110 . 1 1 113 113 LEU HB3 H 1 1.948 0.05 . 2 . . . . 113 L HB3 . 6585 1 1111 . 1 1 113 113 LEU HG H 1 1.380 0.05 . 1 . . . . 113 L HG . 6585 1 1112 . 1 1 113 113 LEU HD11 H 1 0.764 0.05 . 2 . . . . 113 L QD1 . 6585 1 1113 . 1 1 113 113 LEU HD12 H 1 0.764 0.05 . 2 . . . . 113 L QD1 . 6585 1 1114 . 1 1 113 113 LEU HD13 H 1 0.764 0.05 . 2 . . . . 113 L QD1 . 6585 1 1115 . 1 1 113 113 LEU HD21 H 1 0.578 0.05 . 2 . . . . 113 L QD2 . 6585 1 1116 . 1 1 113 113 LEU HD22 H 1 0.578 0.05 . 2 . . . . 113 L QD2 . 6585 1 1117 . 1 1 113 113 LEU HD23 H 1 0.578 0.05 . 2 . . . . 113 L QD2 . 6585 1 1118 . 1 1 113 113 LEU C C 13 177.703 0.10 . 1 . . . . 113 L C . 6585 1 1119 . 1 1 113 113 LEU CA C 13 58.041 0.23 . 1 . . . . 113 L CA . 6585 1 1120 . 1 1 113 113 LEU CB C 13 42.056 0.18 . 1 . . . . 113 L CB . 6585 1 1121 . 1 1 113 113 LEU CG C 13 26.022 0.10 . 1 . . . . 113 L CG . 6585 1 1122 . 1 1 113 113 LEU CD1 C 13 22.846 0.18 . 1 . . . . 113 L CD1 . 6585 1 1123 . 1 1 113 113 LEU CD2 C 13 24.319 0.24 . 1 . . . . 113 L CD2 . 6585 1 1124 . 1 1 113 113 LEU N N 15 125.657 0.17 . 1 . . . . 113 L N . 6585 1 1125 . 1 1 114 114 ASP H H 1 8.018 0.05 . 1 . . . . 114 D HN . 6585 1 1126 . 1 1 114 114 ASP HA H 1 4.596 0.05 . 1 . . . . 114 D HA . 6585 1 1127 . 1 1 114 114 ASP HB2 H 1 2.898 0.05 . 2 . . . . 114 D HB2 . 6585 1 1128 . 1 1 114 114 ASP HB3 H 1 3.095 0.05 . 2 . . . . 114 D HB3 . 6585 1 1129 . 1 1 114 114 ASP C C 13 177.431 0.10 . 1 . . . . 114 D C . 6585 1 1130 . 1 1 114 114 ASP CA C 13 57.729 0.23 . 1 . . . . 114 D CA . 6585 1 1131 . 1 1 114 114 ASP CB C 13 43.160 0.16 . 1 . . . . 114 D CB . 6585 1 1132 . 1 1 114 114 ASP N N 15 118.345 0.21 . 1 . . . . 114 D N . 6585 1 1133 . 1 1 115 115 GLU H H 1 7.465 0.05 . 1 . . . . 115 E HN . 6585 1 1134 . 1 1 115 115 GLU HA H 1 3.904 0.05 . 1 . . . . 115 E HA . 6585 1 1135 . 1 1 115 115 GLU HB3 H 1 2.037 0.05 . 2 . . . . 115 E HB3 . 6585 1 1136 . 1 1 115 115 GLU HG2 H 1 2.259 0.05 . 2 . . . . 115 E HG2 . 6585 1 1137 . 1 1 115 115 GLU HG3 H 1 2.483 0.05 . 2 . . . . 115 E HG3 . 6585 1 1138 . 1 1 115 115 GLU C C 13 178.612 0.10 . 1 . . . . 115 E C . 6585 1 1139 . 1 1 115 115 GLU CA C 13 59.106 0.18 . 1 . . . . 115 E CA . 6585 1 1140 . 1 1 115 115 GLU CB C 13 30.249 0.12 . 1 . . . . 115 E CB . 6585 1 1141 . 1 1 115 115 GLU CG C 13 36.570 0.10 . 1 . . . . 115 E CG . 6585 1 1142 . 1 1 115 115 GLU N N 15 115.856 0.18 . 1 . . . . 115 E N . 6585 1 1143 . 1 1 116 116 ALA H H 1 8.254 0.05 . 1 . . . . 116 A HN . 6585 1 1144 . 1 1 116 116 ALA HA H 1 4.129 0.05 . 1 . . . . 116 A HA . 6585 1 1145 . 1 1 116 116 ALA HB1 H 1 1.541 0.05 . 1 . . . . 116 A QB . 6585 1 1146 . 1 1 116 116 ALA HB2 H 1 1.541 0.05 . 1 . . . . 116 A QB . 6585 1 1147 . 1 1 116 116 ALA HB3 H 1 1.541 0.05 . 1 . . . . 116 A QB . 6585 1 1148 . 1 1 116 116 ALA C C 13 180.928 0.10 . 1 . . . . 116 A C . 6585 1 1149 . 1 1 116 116 ALA CA C 13 54.775 0.13 . 1 . . . . 116 A CA . 6585 1 1150 . 1 1 116 116 ALA CB C 13 18.462 0.23 . 1 . . . . 116 A CB . 6585 1 1151 . 1 1 116 116 ALA N N 15 123.223 0.13 . 1 . . . . 116 A N . 6585 1 1152 . 1 1 117 117 ILE H H 1 8.277 0.05 . 1 . . . . 117 I HN . 6585 1 1153 . 1 1 117 117 ILE HA H 1 3.769 0.05 . 1 . . . . 117 I HA . 6585 1 1154 . 1 1 117 117 ILE HB H 1 2.110 0.05 . 1 . . . . 117 I HB . 6585 1 1155 . 1 1 117 117 ILE HG12 H 1 1.683 0.05 . 2 . . . . 117 I HG12 . 6585 1 1156 . 1 1 117 117 ILE HG13 H 1 1.249 0.05 . 2 . . . . 117 I HG13 . 6585 1 1157 . 1 1 117 117 ILE HG21 H 1 0.943 0.05 . 1 . . . . 117 I QG2 . 6585 1 1158 . 1 1 117 117 ILE HG22 H 1 0.943 0.05 . 1 . . . . 117 I QG2 . 6585 1 1159 . 1 1 117 117 ILE HG23 H 1 0.943 0.05 . 1 . . . . 117 I QG2 . 6585 1 1160 . 1 1 117 117 ILE HD11 H 1 0.847 0.05 . 1 . . . . 117 I QD1 . 6585 1 1161 . 1 1 117 117 ILE HD12 H 1 0.847 0.05 . 1 . . . . 117 I QD1 . 6585 1 1162 . 1 1 117 117 ILE HD13 H 1 0.847 0.05 . 1 . . . . 117 I QD1 . 6585 1 1163 . 1 1 117 117 ILE C C 13 178.938 0.10 . 1 . . . . 117 I C . 6585 1 1164 . 1 1 117 117 ILE CA C 13 63.340 0.16 . 1 . . . . 117 I CA . 6585 1 1165 . 1 1 117 117 ILE CB C 13 38.119 0.12 . 1 . . . . 117 I CB . 6585 1 1166 . 1 1 117 117 ILE CG2 C 13 18.625 0.11 . 1 . . . . 117 I CG2 . 6585 1 1167 . 1 1 117 117 ILE CD1 C 13 14.624 0.34 . 1 . . . . 117 I CD1 . 6585 1 1168 . 1 1 117 117 ILE N N 15 119.650 0.20 . 1 . . . . 117 I N . 6585 1 1169 . 1 1 118 118 LEU H H 1 7.807 0.05 . 1 . . . . 118 L HN . 6585 1 1170 . 1 1 118 118 LEU HA H 1 4.150 0.05 . 1 . . . . 118 L HA . 6585 1 1171 . 1 1 118 118 LEU HB2 H 1 1.583 0.05 . 2 . . . . 118 L HB2 . 6585 1 1172 . 1 1 118 118 LEU HB3 H 1 1.780 0.05 . 2 . . . . 118 L HB3 . 6585 1 1173 . 1 1 118 118 LEU HG H 1 0.879 0.05 . 1 . . . . 118 L HG . 6585 1 1174 . 1 1 118 118 LEU HD21 H 1 0.885 0.05 . 2 . . . . 118 L QD2 . 6585 1 1175 . 1 1 118 118 LEU HD22 H 1 0.885 0.05 . 2 . . . . 118 L QD2 . 6585 1 1176 . 1 1 118 118 LEU HD23 H 1 0.885 0.05 . 2 . . . . 118 L QD2 . 6585 1 1177 . 1 1 118 118 LEU C C 13 178.135 0.10 . 1 . . . . 118 L C . 6585 1 1178 . 1 1 118 118 LEU CA C 13 56.883 0.13 . 1 . . . . 118 L CA . 6585 1 1179 . 1 1 118 118 LEU CB C 13 42.353 0.15 . 1 . . . . 118 L CB . 6585 1 1180 . 1 1 118 118 LEU CG C 13 25.783 0.16 . 1 . . . . 118 L CG . 6585 1 1181 . 1 1 118 118 LEU CD2 C 13 24.052 0.23 . 1 . . . . 118 L CD2 . 6585 1 1182 . 1 1 118 118 LEU N N 15 122.184 0.16 . 1 . . . . 118 L N . 6585 1 1183 . 1 1 119 119 ASN H H 1 7.787 0.05 . 1 . . . . 119 N HN . 6585 1 1184 . 1 1 119 119 ASN HA H 1 4.707 0.05 . 1 . . . . 119 N HA . 6585 1 1185 . 1 1 119 119 ASN HB2 H 1 2.833 0.05 . 2 . . . . 119 N HB2 . 6585 1 1186 . 1 1 119 119 ASN HB3 H 1 2.755 0.05 . 2 . . . . 119 N HB3 . 6585 1 1187 . 1 1 119 119 ASN HD21 H 1 6.981 0.05 . 2 . . . . 119 N HD21 . 6585 1 1188 . 1 1 119 119 ASN HD22 H 1 7.683 0.05 . 2 . . . . 119 N HD22 . 6585 1 1189 . 1 1 119 119 ASN C C 13 174.746 0.10 . 1 . . . . 119 N C . 6585 1 1190 . 1 1 119 119 ASN CA C 13 53.459 0.18 . 1 . . . . 119 N CA . 6585 1 1191 . 1 1 119 119 ASN CB C 13 39.312 0.11 . 1 . . . . 119 N CB . 6585 1 1192 . 1 1 119 119 ASN N N 15 117.027 0.15 . 1 . . . . 119 N N . 6585 1 1193 . 1 1 119 119 ASN ND2 N 15 115.009 0.10 . 1 . . . . 119 N ND2 . 6585 1 1194 . 1 1 120 120 PHE H H 1 7.756 0.05 . 1 . . . . 120 F HN . 6585 1 1195 . 1 1 120 120 PHE HA H 1 4.567 0.05 . 1 . . . . 120 F HA . 6585 1 1196 . 1 1 120 120 PHE HB3 H 1 3.185 0.05 . 2 . . . . 120 F HB3 . 6585 1 1197 . 1 1 120 120 PHE HD1 H 1 7.298 0.05 . 4 . . . . 120 F QD . 6585 1 1198 . 1 1 120 120 PHE HD2 H 1 7.298 0.05 . 4 . . . . 120 F QD . 6585 1 1199 . 1 1 120 120 PHE C C 13 175.301 0.10 . 1 . . . . 120 F C . 6585 1 1200 . 1 1 120 120 PHE CA C 13 58.508 0.11 . 1 . . . . 120 F CA . 6585 1 1201 . 1 1 120 120 PHE CB C 13 39.413 0.12 . 1 . . . . 120 F CB . 6585 1 1202 . 1 1 120 120 PHE N N 15 122.568 0.17 . 1 . . . . 120 F N . 6585 1 1203 . 1 1 121 121 LYS H H 1 8.016 0.05 . 1 . . . . 121 K HN . 6585 1 1204 . 1 1 121 121 LYS HA H 1 4.315 0.05 . 1 . . . . 121 K HA . 6585 1 1205 . 1 1 121 121 LYS HB2 H 1 1.654 0.05 . 2 . . . . 121 K HB2 . 6585 1 1206 . 1 1 121 121 LYS HG3 H 1 1.389 0.05 . 2 . . . . 121 K HG3 . 6585 1 1207 . 1 1 121 121 LYS HE2 H 1 2.992 0.05 . 2 . . . . 121 K HE2 . 6585 1 1208 . 1 1 121 121 LYS C C 13 174.764 0.10 . 1 . . . . 121 K C . 6585 1 1209 . 1 1 121 121 LYS CA C 13 55.731 0.18 . 1 . . . . 121 K CA . 6585 1 1210 . 1 1 121 121 LYS CB C 13 33.825 0.13 . 1 . . . . 121 K CB . 6585 1 1211 . 1 1 121 121 LYS CG C 13 24.605 0.10 . 1 . . . . 121 K CG . 6585 1 1212 . 1 1 121 121 LYS CD C 13 29.971 0.10 . 1 . . . . 121 K CD . 6585 1 1213 . 1 1 121 121 LYS CE C 13 42.417 0.10 . 1 . . . . 121 K CE . 6585 1 1214 . 1 1 121 121 LYS N N 15 127.143 0.19 . 1 . . . . 121 K N . 6585 1 1215 . 1 1 122 122 GLU H H 1 7.891 0.05 . 1 . . . . 122 E HN . 6585 1 1216 . 1 1 122 122 GLU HA H 1 4.025 0.05 . 1 . . . . 122 E HA . 6585 1 1217 . 1 1 122 122 GLU HB2 H 1 1.914 0.05 . 2 . . . . 122 E HB2 . 6585 1 1218 . 1 1 122 122 GLU HB3 H 1 2.077 0.05 . 2 . . . . 122 E HB3 . 6585 1 1219 . 1 1 122 122 GLU HG2 H 1 2.197 0.05 . 2 . . . . 122 E HG2 . 6585 1 1220 . 1 1 122 122 GLU CA C 13 58.065 0.10 . 1 . . . . 122 E CA . 6585 1 1221 . 1 1 122 122 GLU CB C 13 31.194 0.10 . 1 . . . . 122 E CB . 6585 1 1222 . 1 1 122 122 GLU N N 15 128.950 0.16 . 1 . . . . 122 E N . 6585 1 stop_ save_