data_6882 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6882 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the extracellular sushi domain of the Interleukin-15 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-01 _Entry.Accession_date 2005-11-01 _Entry.Last_release_date 2006-04-24 _Entry.Original_release_date 2006-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Inken Lorenzen . . . 6882 2 Andrew Dingley . J. . 6882 3 Joachim Groetzinger . . . 6882 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CAU-Kiel . 6882 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6882 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 6882 '15N chemical shifts' 65 6882 '1H chemical shifts' 379 6882 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-24 2005-11-01 original author . 6882 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ERS 'BMRB Entry Tracking System' 6882 stop_ save_ ############### # Citations # ############### save_Interleukin-15_receptor _Citation.Sf_category citations _Citation.Sf_framecode Interleukin-15_receptor _Citation.Entry_ID 6882 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16377614 _Citation.Full_citation . _Citation.Title ; The structure of the IL-15alpha-receptor and its implications for ligand binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 10 _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 6642 _Citation.Page_last 6647 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Inken Lorenzen . . . 6882 1 2 Andrew Dingley . J. . 6882 1 3 Yannick Jaques . . . 6882 1 4 Joachim Groetzinger . . . 6882 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'interleukin-15 receptor' 6882 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6882 _Assembly.ID 1 _Assembly.Name 'sushi domain of the interleukin-15 receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites yes _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 9074 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6882 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'interleukin-15 receptor' 1 $IL-15Ra . . yes native no yes . 'ligand binding domain' . 6882 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 6882 1 2 disulfide SING . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 63 63 SG . . . . . . . . . . 6882 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2ERS . . . . . . 6882 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 . . 'No interaction' 6882 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IL-15Ra _Entity.Sf_category entity _Entity.Sf_framecode IL-15Ra _Entity.Entry_ID 6882 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'interleukin-15 receptor' _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 ; ITCPPPMSVEHADIWVKSYS LYSRERYICNSGFKRKAGTS SLTECVLNKATNVAHWTTPS LKCIRD ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2ERS . "Solution Structure Of The Interleukin-15 Receptor Sushi Domain" . . . . . 100.00 66 100.00 100.00 9.66e-41 . . . . 6882 1 2 no PDB 2Z3Q . "Crystal Structure Of The Il-15IL-15ra Complex" . . . . . 100.00 107 100.00 100.00 1.88e-41 . . . . 6882 1 3 no PDB 2Z3R . "Crystal Structure Of The Il-15IL-15ra Complex" . . . . . 100.00 107 100.00 100.00 1.88e-41 . . . . 6882 1 4 no PDB 4GS7 . "Structure Of The Interleukin-15 Quaternary Complex" . . . . . 100.00 69 100.00 100.00 1.13e-40 . . . . 6882 1 5 no DBJ BAG65084 . "unnamed protein product [Homo sapiens]" . . . . . 98.48 234 98.46 100.00 9.65e-39 . . . . 6882 1 6 no EMBL CAG33345 . "IL15RA [Homo sapiens]" . . . . . 90.91 231 100.00 100.00 2.53e-35 . . . . 6882 1 7 no EMBL CAG46820 . "IL15RA [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 2.85e-40 . . . . 6882 1 8 no GB AAB88175 . "similar to interleukin-15 receptor alpha chain precursor [Homo sapiens]" . . . . . 90.91 231 100.00 100.00 2.53e-35 . . . . 6882 1 9 no GB AAC50312 . "interleukin-15 receptor alpha chain precursor [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 2.85e-40 . . . . 6882 1 10 no GB AAH74726 . "Interleukin 15 receptor, alpha, isoform 1 precursor [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 2.97e-40 . . . . 6882 1 11 no GB AAI07778 . "Interleukin 15 receptor, alpha [Homo sapiens]" . . . . . 90.91 231 100.00 100.00 2.43e-35 . . . . 6882 1 12 no GB AAI21141 . "Interleukin 15 receptor, alpha [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 2.85e-40 . . . . 6882 1 13 no PRF 2205305A . "interleukin 15 receptor:SUBUNIT=alpha" . . . . . 100.00 267 100.00 100.00 2.85e-40 . . . . 6882 1 14 no REF NP_001230468 . "interleukin-15 receptor subunit alpha isoform 3 [Homo sapiens]" . . . . . 90.91 231 100.00 100.00 2.53e-35 . . . . 6882 1 15 no REF NP_001243694 . "interleukin-15 receptor subunit alpha isoform 4 [Homo sapiens]" . . . . . 100.00 353 100.00 100.00 1.38e-39 . . . . 6882 1 16 no REF NP_002180 . "interleukin-15 receptor subunit alpha isoform 1 precursor [Homo sapiens]" . . . . . 100.00 267 100.00 100.00 2.85e-40 . . . . 6882 1 17 no REF NP_751950 . "interleukin-15 receptor subunit alpha isoform 2 precursor [Homo sapiens]" . . . . . 98.48 234 98.46 100.00 9.65e-39 . . . . 6882 1 18 no REF XP_001145886 . "PREDICTED: interleukin-15 receptor subunit alpha isoform X7 [Pan troglodytes]" . . . . . 90.91 231 100.00 100.00 1.36e-35 . . . . 6882 1 19 no SP Q13261 . "RecName: Full=Interleukin-15 receptor subunit alpha; Short=IL-15 receptor subunit alpha; Short=IL-15R-alpha; Short=IL-15RA; Alt" . . . . . 100.00 267 100.00 100.00 2.85e-40 . . . . 6882 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 31 ILE . 6882 1 2 32 THR . 6882 1 3 33 CYS . 6882 1 4 34 PRO . 6882 1 5 35 PRO . 6882 1 6 36 PRO . 6882 1 7 37 MET . 6882 1 8 38 SER . 6882 1 9 39 VAL . 6882 1 10 40 GLU . 6882 1 11 41 HIS . 6882 1 12 42 ALA . 6882 1 13 43 ASP . 6882 1 14 44 ILE . 6882 1 15 45 TRP . 6882 1 16 46 VAL . 6882 1 17 47 LYS . 6882 1 18 48 SER . 6882 1 19 49 TYR . 6882 1 20 50 SER . 6882 1 21 51 LEU . 6882 1 22 52 TYR . 6882 1 23 53 SER . 6882 1 24 54 ARG . 6882 1 25 55 GLU . 6882 1 26 56 ARG . 6882 1 27 57 TYR . 6882 1 28 58 ILE . 6882 1 29 59 CYS . 6882 1 30 60 ASN . 6882 1 31 61 SER . 6882 1 32 62 GLY . 6882 1 33 63 PHE . 6882 1 34 64 LYS . 6882 1 35 65 ARG . 6882 1 36 66 LYS . 6882 1 37 67 ALA . 6882 1 38 68 GLY . 6882 1 39 69 THR . 6882 1 40 70 SER . 6882 1 41 71 SER . 6882 1 42 72 LEU . 6882 1 43 73 THR . 6882 1 44 74 GLU . 6882 1 45 75 CYS . 6882 1 46 76 VAL . 6882 1 47 77 LEU . 6882 1 48 78 ASN . 6882 1 49 79 LYS . 6882 1 50 80 ALA . 6882 1 51 81 THR . 6882 1 52 82 ASN . 6882 1 53 83 VAL . 6882 1 54 84 ALA . 6882 1 55 85 HIS . 6882 1 56 86 TRP . 6882 1 57 87 THR . 6882 1 58 88 THR . 6882 1 59 89 PRO . 6882 1 60 90 SER . 6882 1 61 91 LEU . 6882 1 62 92 LYS . 6882 1 63 93 CYS . 6882 1 64 94 ILE . 6882 1 65 95 ARG . 6882 1 66 96 ASP . 6882 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 . ILE 1 1 6882 1 . THR 2 2 6882 1 . CYS 3 3 6882 1 . PRO 4 4 6882 1 . PRO 5 5 6882 1 . PRO 6 6 6882 1 . MET 7 7 6882 1 . SER 8 8 6882 1 . VAL 9 9 6882 1 . GLU 10 10 6882 1 . HIS 11 11 6882 1 . ALA 12 12 6882 1 . ASP 13 13 6882 1 . ILE 14 14 6882 1 . TRP 15 15 6882 1 . VAL 16 16 6882 1 . LYS 17 17 6882 1 . SER 18 18 6882 1 . TYR 19 19 6882 1 . SER 20 20 6882 1 . LEU 21 21 6882 1 . TYR 22 22 6882 1 . SER 23 23 6882 1 . ARG 24 24 6882 1 . GLU 25 25 6882 1 . ARG 26 26 6882 1 . TYR 27 27 6882 1 . ILE 28 28 6882 1 . CYS 29 29 6882 1 . ASN 30 30 6882 1 . SER 31 31 6882 1 . GLY 32 32 6882 1 . PHE 33 33 6882 1 . LYS 34 34 6882 1 . ARG 35 35 6882 1 . LYS 36 36 6882 1 . ALA 37 37 6882 1 . GLY 38 38 6882 1 . THR 39 39 6882 1 . SER 40 40 6882 1 . SER 41 41 6882 1 . LEU 42 42 6882 1 . THR 43 43 6882 1 . GLU 44 44 6882 1 . CYS 45 45 6882 1 . VAL 46 46 6882 1 . LEU 47 47 6882 1 . ASN 48 48 6882 1 . LYS 49 49 6882 1 . ALA 50 50 6882 1 . THR 51 51 6882 1 . ASN 52 52 6882 1 . VAL 53 53 6882 1 . ALA 54 54 6882 1 . HIS 55 55 6882 1 . TRP 56 56 6882 1 . THR 57 57 6882 1 . THR 58 58 6882 1 . PRO 59 59 6882 1 . SER 60 60 6882 1 . LEU 61 61 6882 1 . LYS 62 62 6882 1 . CYS 63 63 6882 1 . ILE 64 64 6882 1 . ARG 65 65 6882 1 . ASP 66 66 6882 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 6882 _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 $IL-15Ra . 9606 organism no 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6882 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $IL-15Ra . BC107777 . . . . . . 6882 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 6882 _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 $IL-15Ra . 'recombinant technology' . E.coli . . . . SG13009 . . . . . . . . . . . . plasmid . . pQE30 . . . . . . 6882 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6882 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM IL-15Ra, 20 mM phosphate buffer, pH=7.4, 150 mM NaCl' _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 'interleukin-15 receptor' '[U-15N; U-13C]' . . 1 $IL-15Ra . . 1 . . mM . . . . 6882 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6882 1 3 NaCl . . . . . . . 150 . . mM . . . . 6882 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 6882 _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 7.4 0.1 pH 6882 1 pressure 1 0.0 atm 6882 1 temperature 298 0.0 K 6882 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_1 _NMR_spectrometer.Entry_ID 6882 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600MHz_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_2 _NMR_spectrometer.Entry_ID 6882 _NMR_spectrometer.ID 2 _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 6882 _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 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 2 HC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 3 (H)C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 4 'N15-edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 5 'N15-edited TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 6 '13C-edit TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 7 '13C-edit NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 8 '13C-edit NOESY (D2O)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 9 H(N)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 10 3D-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 11 '1H15N HSQC (example)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 12 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6882 1 stop_ save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 1 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HC(CO)NH _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(H)C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (H)C(CO)NH _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name (H)C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_N15-edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N15-edited_NOESY _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'N15-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_N15-edited_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N15-edited_TOCSY _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'N15-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-edit_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-edit_TOCSY _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C-edit TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-edit_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-edit_NOESY _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C-edit NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-edit_NOESY_(D2O) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-edit_NOESY_(D2O) _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C-edit NOESY (D2O)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_H(N)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(N)CO _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(N)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNCO _NMR_spec_expt.Entry_ID 6882 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6882 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $Interleukin-15_receptor . . 1 $Interleukin-15_receptor 6882 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $Interleukin-15_receptor . . 1 $Interleukin-15_receptor 6882 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $Interleukin-15_receptor . . 1 $Interleukin-15_receptor 6882 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 6882 _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 HNCA 1 $sample_1 isotropic 6882 1 2 HC(CO)NH 1 $sample_1 isotropic 6882 1 4 'N15-edited NOESY' 1 $sample_1 isotropic 6882 1 5 'N15-edited TOCSY' 1 $sample_1 isotropic 6882 1 11 '1H15N HSQC (example)' 1 $sample_1 isotropic 6882 1 12 C(CO)NH 1 $sample_1 isotropic 6882 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ILE H H 1 7.995 . . 1 . . . . 31 ILE HN . 6882 1 2 . 1 1 1 1 ILE HA H 1 4.154 . . 1 . . . . 31 ILE HA . 6882 1 3 . 1 1 1 1 ILE HB H 1 1.708 . . 1 . . . . 31 ILE HB . 6882 1 4 . 1 1 1 1 ILE HG12 H 1 1.433 . . 9 . . . . 31 ILE HG11 . 6882 1 5 . 1 1 1 1 ILE HG13 H 1 0.991 . . 9 . . . . 31 ILE HG12 . 6882 1 6 . 1 1 1 1 ILE HG21 H 1 0.688 . . 4 . . . . 31 ILE HG21 . 6882 1 7 . 1 1 1 1 ILE HG22 H 1 0.688 . . 4 . . . . 31 ILE HG21 . 6882 1 8 . 1 1 1 1 ILE HG23 H 1 0.688 . . 4 . . . . 31 ILE HG21 . 6882 1 9 . 1 1 1 1 ILE HD11 H 1 0.713 . . 1 . . . . 31 ILE HD11 . 6882 1 10 . 1 1 1 1 ILE HD12 H 1 0.713 . . 1 . . . . 31 ILE HD11 . 6882 1 11 . 1 1 1 1 ILE HD13 H 1 0.713 . . 1 . . . . 31 ILE HD11 . 6882 1 12 . 1 1 1 1 ILE C C 13 174.188 . . 1 . . . . 31 ILE C . 6882 1 13 . 1 1 1 1 ILE CA C 13 61.348 . . 1 . . . . 31 ILE CA . 6882 1 14 . 1 1 1 1 ILE CB C 13 38.190 . . 1 . . . . 31 ILE CB . 6882 1 15 . 1 1 1 1 ILE CG1 C 13 27.210 . . 2 . . . . 31 ILE CG1 . 6882 1 16 . 1 1 1 1 ILE CG2 C 13 18.260 . . 2 . . . . 31 ILE CG2 . 6882 1 17 . 1 1 1 1 ILE CD1 C 13 13.083 . . 1 . . . . 31 ILE CD1 . 6882 1 18 . 1 1 1 1 ILE N N 15 122.977 . . 1 . . . . 31 ILE N . 6882 1 19 . 1 1 2 2 THR H H 1 7.921 . . 1 . . . . 32 THR HN . 6882 1 20 . 1 1 2 2 THR HA H 1 4.840 . . 1 . . . . 32 THR HA . 6882 1 21 . 1 1 2 2 THR HB H 1 3.992 . . 1 . . . . 32 THR HB . 6882 1 22 . 1 1 2 2 THR HG1 H 1 4.267 . . 1 . . . . 32 THR HG22 . 6882 1 23 . 1 1 2 2 THR HG21 H 1 0.976 . . 1 . . . . 32 THR HG21 . 6882 1 24 . 1 1 2 2 THR HG22 H 1 0.976 . . 1 . . . . 32 THR HG21 . 6882 1 25 . 1 1 2 2 THR HG23 H 1 0.976 . . 1 . . . . 32 THR HG21 . 6882 1 26 . 1 1 2 2 THR C C 13 175.191 . . 1 . . . . 32 THR C . 6882 1 27 . 1 1 2 2 THR CA C 13 59.406 . . 1 . . . . 32 THR CA . 6882 1 28 . 1 1 2 2 THR CB C 13 71.924 . . 1 . . . . 32 THR CB . 6882 1 29 . 1 1 2 2 THR CG2 C 13 21.721 . . 1 . . . . 32 THR CG2 . 6882 1 30 . 1 1 2 2 THR N N 15 116.978 . . 1 . . . . 32 THR N . 6882 1 31 . 1 1 3 3 CYS H H 1 9.136 . . 1 . . . . 33 CYS HN . 6882 1 32 . 1 1 3 3 CYS HA H 1 4.314 . . 1 . . . . 33 CYS HA . 6882 1 33 . 1 1 3 3 CYS HB2 H 1 2.187 . . 2 . . . . 33 CYS HB1 . 6882 1 34 . 1 1 3 3 CYS HB3 H 1 2.790 . . 2 . . . . 33 CYS HB2 . 6882 1 35 . 1 1 3 3 CYS C C 13 175.191 . . 1 . . . . 33 CYS C . 6882 1 36 . 1 1 3 3 CYS CA C 13 59.311 . . 1 . . . . 33 CYS CA . 6882 1 37 . 1 1 3 3 CYS CB C 13 41.648 . . 1 . . . . 33 CYS CB . 6882 1 38 . 1 1 3 3 CYS N N 15 121.005 . . 1 . . . . 33 CYS N . 6882 1 39 . 1 1 4 4 PRO HA H 1 4.840 . . 1 . . . . 34 PRO HA . 6882 1 40 . 1 1 4 4 PRO HB2 H 1 2.257 . . 1 . . . . 34 PRO HB1 . 6882 1 41 . 1 1 4 4 PRO HB3 H 1 2.257 . . 1 . . . . 34 PRO HB2 . 6882 1 42 . 1 1 4 4 PRO HG2 H 1 2.030 . . 2 . . . . 34 PRO HG1 . 6882 1 43 . 1 1 4 4 PRO HG3 H 1 2.230 . . 2 . . . . 34 PRO HG2 . 6882 1 44 . 1 1 4 4 PRO HD2 H 1 3.290 . . 2 . . . . 34 PRO HD1 . 6882 1 45 . 1 1 4 4 PRO HD3 H 1 3.760 . . 2 . . . . 34 PRO HD2 . 6882 1 46 . 1 1 4 4 PRO CA C 13 62.170 . . 1 . . . . 34 PRO CA . 6882 1 47 . 1 1 4 4 PRO CB C 13 30.260 . . 1 . . . . 34 PRO CB . 6882 1 48 . 1 1 4 4 PRO CG C 13 26.800 . . 1 . . . . 34 PRO CG . 6882 1 49 . 1 1 4 4 PRO CD C 13 49.600 . . 1 . . . . 34 PRO CD . 6882 1 50 . 1 1 5 5 PRO HA H 1 4.819 . . 1 . . . . 35 PRO HA . 6882 1 51 . 1 1 5 5 PRO HB2 H 1 1.750 . . 2 . . . . 35 PRO HB1 . 6882 1 52 . 1 1 5 5 PRO HB3 H 1 2.464 . . 2 . . . . 35 PRO HB2 . 6882 1 53 . 1 1 5 5 PRO HG2 H 1 1.897 . . 2 . . . . 35 PRO HG1 . 6882 1 54 . 1 1 5 5 PRO HG3 H 1 2.135 . . 2 . . . . 35 PRO HG2 . 6882 1 55 . 1 1 5 5 PRO HD2 H 1 3.528 . . 2 . . . . 35 PRO HD1 . 6882 1 56 . 1 1 5 5 PRO HD3 H 1 3.680 . . 2 . . . . 35 PRO HD2 . 6882 1 57 . 1 1 5 5 PRO CA C 13 62.700 . . 1 . . . . 35 PRO CA . 6882 1 58 . 1 1 5 5 PRO CB C 13 30.260 . . 1 . . . . 35 PRO CB . 6882 1 59 . 1 1 5 5 PRO CG C 13 28.550 . . 1 . . . . 35 PRO CG . 6882 1 60 . 1 1 5 5 PRO CD C 13 50.200 . . 1 . . . . 35 PRO CD . 6882 1 61 . 1 1 6 6 PRO HA H 1 4.296 . . 1 . . . . 36 PRO HA . 6882 1 62 . 1 1 6 6 PRO HB2 H 1 0.833 . . 2 . . . . 36 PRO HB1 . 6882 1 63 . 1 1 6 6 PRO HB3 H 1 1.609 . . 2 . . . . 36 PRO HB2 . 6882 1 64 . 1 1 6 6 PRO HG2 H 1 0.654 . . 2 . . . . 36 PRO HG1 . 6882 1 65 . 1 1 6 6 PRO HG3 H 1 1.187 . . 2 . . . . 36 PRO HG2 . 6882 1 66 . 1 1 6 6 PRO HD2 H 1 3.498 . . 2 . . . . 36 PRO HD1 . 6882 1 67 . 1 1 6 6 PRO HD3 H 1 3.739 . . 2 . . . . 36 PRO HD2 . 6882 1 68 . 1 1 6 6 PRO C C 13 172.886 . . 1 . . . . 36 PRO C . 6882 1 69 . 1 1 6 6 PRO CA C 13 62.491 . . 1 . . . . 36 PRO CA . 6882 1 70 . 1 1 6 6 PRO CB C 13 31.056 . . 1 . . . . 36 PRO CB . 6882 1 71 . 1 1 6 6 PRO CG C 13 25.731 . . 1 . . . . 36 PRO CG . 6882 1 72 . 1 1 6 6 PRO CD C 13 50.595 . . 1 . . . . 36 PRO CD . 6882 1 73 . 1 1 7 7 MET H H 1 8.517 . . 1 . . . . 37 MET HN . 6882 1 74 . 1 1 7 7 MET HA H 1 4.342 . . 1 . . . . 37 MET HA . 6882 1 75 . 1 1 7 7 MET HB2 H 1 2.116 . . 2 . . . . 37 MET HB1 . 6882 1 76 . 1 1 7 7 MET HB3 H 1 2.089 . . 2 . . . . 37 MET HB2 . 6882 1 77 . 1 1 7 7 MET HG2 H 1 2.454 . . 2 . . . . 37 MET HG1 . 6882 1 78 . 1 1 7 7 MET HG3 H 1 2.626 . . 2 . . . . 37 MET HG2 . 6882 1 79 . 1 1 7 7 MET C C 13 173.259 . . 1 . . . . 37 MET C . 6882 1 80 . 1 1 7 7 MET CA C 13 55.740 . . 1 . . . . 37 MET CA . 6882 1 81 . 1 1 7 7 MET CB C 13 33.016 . . 1 . . . . 37 MET CB . 6882 1 82 . 1 1 7 7 MET CG C 13 31.254 . . 1 . . . . 37 MET CG . 6882 1 83 . 1 1 7 7 MET N N 15 119.235 . . 1 . . . . 37 MET N . 6882 1 84 . 1 1 8 8 SER H H 1 8.540 . . 1 . . . . 38 SER HN . 6882 1 85 . 1 1 8 8 SER HA H 1 4.482 . . 1 . . . . 38 SER HA . 6882 1 86 . 1 1 8 8 SER HB2 H 1 3.778 . . 2 . . . . 38 SER HB1 . 6882 1 87 . 1 1 8 8 SER HB3 H 1 3.768 . . 2 . . . . 38 SER HB2 . 6882 1 88 . 1 1 8 8 SER C C 13 175.666 . . 1 . . . . 38 SER C . 6882 1 89 . 1 1 8 8 SER CA C 13 58.733 . . 1 . . . . 38 SER CA . 6882 1 90 . 1 1 8 8 SER CB C 13 63.683 . . 1 . . . . 38 SER CB . 6882 1 91 . 1 1 8 8 SER N N 15 118.503 . . 1 . . . . 38 SER N . 6882 1 92 . 1 1 9 9 VAL H H 1 9.067 . . 1 . . . . 39 VAL HN . 6882 1 93 . 1 1 9 9 VAL HA H 1 3.765 . . 1 . . . . 39 VAL HA . 6882 1 94 . 1 1 9 9 VAL HB H 1 1.075 . . 1 . . . . 39 VAL HB . 6882 1 95 . 1 1 9 9 VAL HG11 H 1 0.449 . . 4 . . . . 39 VAL HG11 . 6882 1 96 . 1 1 9 9 VAL HG12 H 1 0.449 . . 4 . . . . 39 VAL HG11 . 6882 1 97 . 1 1 9 9 VAL HG13 H 1 0.449 . . 4 . . . . 39 VAL HG11 . 6882 1 98 . 1 1 9 9 VAL HG21 H 1 0.084 . . 4 . . . . 39 VAL HG21 . 6882 1 99 . 1 1 9 9 VAL HG22 H 1 0.084 . . 4 . . . . 39 VAL HG21 . 6882 1 100 . 1 1 9 9 VAL HG23 H 1 0.084 . . 4 . . . . 39 VAL HG21 . 6882 1 101 . 1 1 9 9 VAL C C 13 174.084 . . 1 . . . . 39 VAL C . 6882 1 102 . 1 1 9 9 VAL CA C 13 61.079 . . 1 . . . . 39 VAL CA . 6882 1 103 . 1 1 9 9 VAL CB C 13 33.995 . . 1 . . . . 39 VAL CB . 6882 1 104 . 1 1 9 9 VAL CG1 C 13 20.275 . . 2 . . . . 39 VAL CG1 . 6882 1 105 . 1 1 9 9 VAL CG2 C 13 20.993 . . 1 . . . . 39 VAL CG2 . 6882 1 106 . 1 1 9 9 VAL N N 15 127.467 . . 1 . . . . 39 VAL N . 6882 1 107 . 1 1 10 10 GLU H H 1 8.292 . . 1 . . . . 40 GLU HN . 6882 1 108 . 1 1 10 10 GLU HA H 1 3.557 . . 1 . . . . 40 GLU HA . 6882 1 109 . 1 1 10 10 GLU HB2 H 1 1.476 . . 2 . . . . 40 GLU HB1 . 6882 1 110 . 1 1 10 10 GLU HB3 H 1 1.627 . . 2 . . . . 40 GLU HB2 . 6882 1 111 . 1 1 10 10 GLU HG2 H 1 1.446 . . 2 . . . . 40 GLU HG1 . 6882 1 112 . 1 1 10 10 GLU HG3 H 1 1.788 . . 2 . . . . 40 GLU HG2 . 6882 1 113 . 1 1 10 10 GLU C C 13 173.252 . . 1 . . . . 40 GLU C . 6882 1 114 . 1 1 10 10 GLU CA C 13 58.118 . . 1 . . . . 40 GLU CA . 6882 1 115 . 1 1 10 10 GLU CB C 13 29.457 . . 1 . . . . 40 GLU CB . 6882 1 116 . 1 1 10 10 GLU CG C 13 35.669 . . 1 . . . . 40 GLU CG . 6882 1 117 . 1 1 10 10 GLU N N 15 128.640 . . 1 . . . . 40 GLU N . 6882 1 118 . 1 1 11 11 HIS H H 1 8.505 . . 1 . . . . 41 HIS HN . 6882 1 119 . 1 1 11 11 HIS HA H 1 3.729 . . 1 . . . . 41 HIS HA . 6882 1 120 . 1 1 11 11 HIS HB2 H 1 2.708 . . 2 . . . . 41 HIS HB1 . 6882 1 121 . 1 1 11 11 HIS HB3 H 1 1.621 . . 2 . . . . 41 HIS HB2 . 6882 1 122 . 1 1 11 11 HIS HD2 H 1 6.714 . . 2 . . . . 41 HIS HD2 . 6882 1 123 . 1 1 11 11 HIS C C 13 177.412 . . 1 . . . . 41 HIS C . 6882 1 124 . 1 1 11 11 HIS CA C 13 56.222 . . 1 . . . . 41 HIS CA . 6882 1 125 . 1 1 11 11 HIS CB C 13 26.270 . . 1 . . . . 41 HIS CB . 6882 1 126 . 1 1 11 11 HIS CD2 C 13 121.174 . . 1 . . . . 41 HIS CD2 . 6882 1 127 . 1 1 11 11 HIS N N 15 116.476 . . 1 . . . . 41 HIS N . 6882 1 128 . 1 1 12 12 ALA H H 1 7.749 . . 1 . . . . 42 ALA HN . 6882 1 129 . 1 1 12 12 ALA HA H 1 5.004 . . 1 . . . . 42 ALA HA . 6882 1 130 . 1 1 12 12 ALA HB1 H 1 1.136 . . 1 . . . . 42 ALA HB1 . 6882 1 131 . 1 1 12 12 ALA HB2 H 1 1.136 . . 1 . . . . 42 ALA HB1 . 6882 1 132 . 1 1 12 12 ALA HB3 H 1 1.136 . . 1 . . . . 42 ALA HB1 . 6882 1 133 . 1 1 12 12 ALA C C 13 173.250 . . 1 . . . . 42 ALA C . 6882 1 134 . 1 1 12 12 ALA CA C 13 50.929 . . 1 . . . . 42 ALA CA . 6882 1 135 . 1 1 12 12 ALA CB C 13 23.419 . . 1 . . . . 42 ALA CB . 6882 1 136 . 1 1 12 12 ALA N N 15 118.440 . . 1 . . . . 42 ALA N . 6882 1 137 . 1 1 13 13 ASP H H 1 8.507 . . 1 . . . . 43 ASP HN . 6882 1 138 . 1 1 13 13 ASP HA H 1 4.865 . . 1 . . . . 43 ASP HA . 6882 1 139 . 1 1 13 13 ASP HB2 H 1 2.184 . . 2 . . . . 43 ASP HB1 . 6882 1 140 . 1 1 13 13 ASP HB3 H 1 2.306 . . 2 . . . . 43 ASP HB2 . 6882 1 141 . 1 1 13 13 ASP C C 13 176.398 . . 1 . . . . 43 ASP C . 6882 1 142 . 1 1 13 13 ASP CA C 13 52.429 . . 1 . . . . 43 ASP CA . 6882 1 143 . 1 1 13 13 ASP CB C 13 45.606 . . 1 . . . . 43 ASP CB . 6882 1 144 . 1 1 13 13 ASP N N 15 119.987 . . 1 . . . . 43 ASP N . 6882 1 145 . 1 1 14 14 ILE H H 1 8.212 . . 1 . . . . 44 ILE HN . 6882 1 146 . 1 1 14 14 ILE HA H 1 4.148 . . 1 . . . . 44 ILE HA . 6882 1 147 . 1 1 14 14 ILE HB H 1 0.865 . . 1 . . . . 44 ILE HB . 6882 1 148 . 1 1 14 14 ILE HG12 H 1 0.909 . . 9 . . . . 44 ILE HG11 . 6882 1 149 . 1 1 14 14 ILE HG13 H 1 0.059 . . 9 . . . . 44 ILE HG12 . 6882 1 150 . 1 1 14 14 ILE HG21 H 1 0.231 . . 4 . . . . 44 ILE HG21 . 6882 1 151 . 1 1 14 14 ILE HG22 H 1 0.231 . . 4 . . . . 44 ILE HG21 . 6882 1 152 . 1 1 14 14 ILE HG23 H 1 0.231 . . 4 . . . . 44 ILE HG21 . 6882 1 153 . 1 1 14 14 ILE HD11 H 1 0.723 . . 1 . . . . 44 ILE HD11 . 6882 1 154 . 1 1 14 14 ILE HD12 H 1 0.723 . . 1 . . . . 44 ILE HD11 . 6882 1 155 . 1 1 14 14 ILE HD13 H 1 0.723 . . 1 . . . . 44 ILE HD11 . 6882 1 156 . 1 1 14 14 ILE C C 13 177.689 . . 1 . . . . 44 ILE C . 6882 1 157 . 1 1 14 14 ILE CA C 13 60.092 . . 1 . . . . 44 ILE CA . 6882 1 158 . 1 1 14 14 ILE CB C 13 40.157 . . 1 . . . . 44 ILE CB . 6882 1 159 . 1 1 14 14 ILE CG1 C 13 27.319 . . 2 . . . . 44 ILE CG1 . 6882 1 160 . 1 1 14 14 ILE CG2 C 13 13.962 . . 2 . . . . 44 ILE CG2 . 6882 1 161 . 1 1 14 14 ILE CD1 C 13 12.695 . . 1 . . . . 44 ILE CD1 . 6882 1 162 . 1 1 14 14 ILE N N 15 117.114 . . 1 . . . . 44 ILE N . 6882 1 163 . 1 1 15 15 TRP H H 1 8.916 . . 1 . . . . 45 TRP HN . 6882 1 164 . 1 1 15 15 TRP HA H 1 4.589 . . 1 . . . . 45 TRP HA . 6882 1 165 . 1 1 15 15 TRP HB2 H 1 2.989 . . 1 . . . . 45 TRP HB1 . 6882 1 166 . 1 1 15 15 TRP HB3 H 1 2.989 . . 1 . . . . 45 TRP HB2 . 6882 1 167 . 1 1 15 15 TRP HD1 H 1 7.081 . . 1 . . . . 45 TRP HD1 . 6882 1 168 . 1 1 15 15 TRP HE1 H 1 10.000 . . 2 . . . . 45 TRP HE1 . 6882 1 169 . 1 1 15 15 TRP HE3 H 1 7.624 . . 3 . . . . 45 TRP HE3 . 6882 1 170 . 1 1 15 15 TRP HZ2 H 1 7.392 . . 3 . . . . 45 TRP HZ2 . 6882 1 171 . 1 1 15 15 TRP HZ3 H 1 6.978 . . 3 . . . . 45 TRP HZ3 . 6882 1 172 . 1 1 15 15 TRP HH2 H 1 7.179 . . 1 . . . . 45 TRP HH2 . 6882 1 173 . 1 1 15 15 TRP C C 13 174.542 . . 1 . . . . 45 TRP C . 6882 1 174 . 1 1 15 15 TRP CA C 13 56.132 . . 1 . . . . 45 TRP CA . 6882 1 175 . 1 1 15 15 TRP CB C 13 28.723 . . 1 . . . . 45 TRP CB . 6882 1 176 . 1 1 15 15 TRP CD1 C 13 126.632 . . 2 . . . . 45 TRP CD1 . 6882 1 177 . 1 1 15 15 TRP CZ2 C 13 114.509 . . 3 . . . . 45 TRP CZ2 . 6882 1 178 . 1 1 15 15 TRP CZ3 C 13 121.019 . . 3 . . . . 45 TRP CZ3 . 6882 1 179 . 1 1 15 15 TRP CH2 C 13 124.940 . . 1 . . . . 45 TRP CH2 . 6882 1 180 . 1 1 15 15 TRP N N 15 131.492 . . 1 . . . . 45 TRP N . 6882 1 181 . 1 1 15 15 TRP NE1 N 15 129.035 . . 1 . . . . 45 TRP NE1 . 6882 1 182 . 1 1 16 16 VAL H H 1 7.994 . . 1 . . . . 46 VAL HN . 6882 1 183 . 1 1 16 16 VAL HA H 1 3.381 . . 1 . . . . 46 VAL HA . 6882 1 184 . 1 1 16 16 VAL HB H 1 1.457 . . 1 . . . . 46 VAL HB . 6882 1 185 . 1 1 16 16 VAL HG11 H 1 0.184 . . 4 . . . . 46 VAL HG11 . 6882 1 186 . 1 1 16 16 VAL HG12 H 1 0.184 . . 4 . . . . 46 VAL HG11 . 6882 1 187 . 1 1 16 16 VAL HG13 H 1 0.184 . . 4 . . . . 46 VAL HG11 . 6882 1 188 . 1 1 16 16 VAL HG21 H 1 0.157 . . 4 . . . . 46 VAL HG21 . 6882 1 189 . 1 1 16 16 VAL HG22 H 1 0.157 . . 4 . . . . 46 VAL HG21 . 6882 1 190 . 1 1 16 16 VAL HG23 H 1 0.157 . . 4 . . . . 46 VAL HG21 . 6882 1 191 . 1 1 16 16 VAL C C 13 172.458 . . 1 . . . . 46 VAL C . 6882 1 192 . 1 1 16 16 VAL CA C 13 62.877 . . 1 . . . . 46 VAL CA . 6882 1 193 . 1 1 16 16 VAL CB C 13 32.099 . . 1 . . . . 46 VAL CB . 6882 1 194 . 1 1 16 16 VAL CG1 C 13 21.509 . . 2 . . . . 46 VAL CG1 . 6882 1 195 . 1 1 16 16 VAL CG2 C 13 21.705 . . 2 . . . . 46 VAL CG2 . 6882 1 196 . 1 1 16 16 VAL N N 15 123.587 . . 1 . . . . 46 VAL N . 6882 1 197 . 1 1 17 17 LYS H H 1 9.392 . . 1 . . . . 47 LYS HN . 6882 1 198 . 1 1 17 17 LYS HA H 1 4.235 . . 1 . . . . 47 LYS HA . 6882 1 199 . 1 1 17 17 LYS HB2 H 1 2.077 . . 2 . . . . 47 LYS HB1 . 6882 1 200 . 1 1 17 17 LYS HB3 H 1 1.860 . . 2 . . . . 47 LYS HB2 . 6882 1 201 . 1 1 17 17 LYS HG2 H 1 1.618 . . 2 . . . . 47 LYS HG1 . 6882 1 202 . 1 1 17 17 LYS HG3 H 1 1.477 . . 2 . . . . 47 LYS HG2 . 6882 1 203 . 1 1 17 17 LYS HD2 H 1 1.717 . . 1 . . . . 47 LYS HD1 . 6882 1 204 . 1 1 17 17 LYS HD3 H 1 1.717 . . 1 . . . . 47 LYS HD2 . 6882 1 205 . 1 1 17 17 LYS HE2 H 1 3.010 . . 1 . . . . 47 LYS HE1 . 6882 1 206 . 1 1 17 17 LYS HE3 H 1 3.010 . . 1 . . . . 47 LYS HE2 . 6882 1 207 . 1 1 17 17 LYS C C 13 171.872 . . 1 . . . . 47 LYS C . 6882 1 208 . 1 1 17 17 LYS CA C 13 55.580 . . 1 . . . . 47 LYS CA . 6882 1 209 . 1 1 17 17 LYS CB C 13 32.253 . . 1 . . . . 47 LYS CB . 6882 1 210 . 1 1 17 17 LYS CG C 13 24.656 . . 1 . . . . 47 LYS CG . 6882 1 211 . 1 1 17 17 LYS CD C 13 28.477 . . 1 . . . . 47 LYS CD . 6882 1 212 . 1 1 17 17 LYS CE C 13 41.961 . . 1 . . . . 47 LYS CE . 6882 1 213 . 1 1 17 17 LYS N N 15 129.521 . . 1 . . . . 47 LYS N . 6882 1 214 . 1 1 18 18 SER H H 1 8.294 . . 1 . . . . 48 SER HN . 6882 1 215 . 1 1 18 18 SER HA H 1 4.490 . . 1 . . . . 48 SER HA . 6882 1 216 . 1 1 18 18 SER HB2 H 1 3.824 . . 1 . . . . 48 SER HB1 . 6882 1 217 . 1 1 18 18 SER HB3 H 1 3.824 . . 1 . . . . 48 SER HB2 . 6882 1 218 . 1 1 18 18 SER C C 13 177.414 . . 1 . . . . 48 SER C . 6882 1 219 . 1 1 18 18 SER CA C 13 61.000 . . 1 . . . . 48 SER CA . 6882 1 220 . 1 1 18 18 SER CB C 13 64.029 . . 1 . . . . 48 SER CB . 6882 1 221 . 1 1 18 18 SER N N 15 115.131 . . 1 . . . . 48 SER N . 6882 1 222 . 1 1 19 19 TYR H H 1 8.642 . . 1 . . . . 49 TYR HN . 6882 1 223 . 1 1 19 19 TYR HA H 1 4.605 . . 1 . . . . 49 TYR HA . 6882 1 224 . 1 1 19 19 TYR HB2 H 1 3.786 . . 2 . . . . 49 TYR HB1 . 6882 1 225 . 1 1 19 19 TYR HB3 H 1 2.622 . . 2 . . . . 49 TYR HB2 . 6882 1 226 . 1 1 19 19 TYR HD1 H 1 7.204 . . 1 . . . . 49 TYR HD1 . 6882 1 227 . 1 1 19 19 TYR HD2 H 1 7.204 . . 1 . . . . 49 TYR HD2 . 6882 1 228 . 1 1 19 19 TYR HE1 H 1 6.748 . . 1 . . . . 49 TYR HE1 . 6882 1 229 . 1 1 19 19 TYR HE2 H 1 6.748 . . 1 . . . . 49 TYR HE2 . 6882 1 230 . 1 1 19 19 TYR C C 13 175.014 . . 1 . . . . 49 TYR C . 6882 1 231 . 1 1 19 19 TYR CA C 13 56.710 . . 1 . . . . 49 TYR CA . 6882 1 232 . 1 1 19 19 TYR CB C 13 37.914 . . 1 . . . . 49 TYR CB . 6882 1 233 . 1 1 19 19 TYR CD1 C 13 133.982 . . 1 . . . . 49 TYR CD1 . 6882 1 234 . 1 1 19 19 TYR CD2 C 13 133.982 . . 1 . . . . 49 TYR CD2 . 6882 1 235 . 1 1 19 19 TYR CE1 C 13 117.826 . . 1 . . . . 49 TYR CE1 . 6882 1 236 . 1 1 19 19 TYR CE2 C 13 117.826 . . 1 . . . . 49 TYR CE2 . 6882 1 237 . 1 1 19 19 TYR N N 15 122.700 . . 1 . . . . 49 TYR N . 6882 1 238 . 1 1 20 20 SER H H 1 7.939 . . 1 . . . . 50 SER HN . 6882 1 239 . 1 1 20 20 SER HA H 1 4.263 . . 1 . . . . 50 SER HA . 6882 1 240 . 1 1 20 20 SER HB2 H 1 3.910 . . 2 . . . . 50 SER HB1 . 6882 1 241 . 1 1 20 20 SER HB3 H 1 3.695 . . 2 . . . . 50 SER HB2 . 6882 1 242 . 1 1 20 20 SER C C 13 175.476 . . 1 . . . . 50 SER C . 6882 1 243 . 1 1 20 20 SER CA C 13 58.803 . . 1 . . . . 50 SER CA . 6882 1 244 . 1 1 20 20 SER CB C 13 64.278 . . 1 . . . . 50 SER CB . 6882 1 245 . 1 1 20 20 SER N N 15 113.715 . . 1 . . . . 50 SER N . 6882 1 246 . 1 1 21 21 LEU H H 1 7.648 . . 1 . . . . 51 LEU HN . 6882 1 247 . 1 1 21 21 LEU HA H 1 3.234 . . 1 . . . . 51 LEU HA . 6882 1 248 . 1 1 21 21 LEU HB2 H 1 0.923 . . 2 . . . . 51 LEU HB1 . 6882 1 249 . 1 1 21 21 LEU HB3 H 1 0.879 . . 2 . . . . 51 LEU HB2 . 6882 1 250 . 1 1 21 21 LEU HG H 1 0.396 . . 1 . . . . 51 LEU HG . 6882 1 251 . 1 1 21 21 LEU HD11 H 1 0.421 . . 4 . . . . 51 LEU HD11 . 6882 1 252 . 1 1 21 21 LEU HD12 H 1 0.421 . . 4 . . . . 51 LEU HD11 . 6882 1 253 . 1 1 21 21 LEU HD13 H 1 0.421 . . 4 . . . . 51 LEU HD11 . 6882 1 254 . 1 1 21 21 LEU HD21 H 1 0.421 . . 2 . . . . 51 LEU HD21 . 6882 1 255 . 1 1 21 21 LEU HD22 H 1 0.421 . . 2 . . . . 51 LEU HD21 . 6882 1 256 . 1 1 21 21 LEU HD23 H 1 0.421 . . 2 . . . . 51 LEU HD21 . 6882 1 257 . 1 1 21 21 LEU C C 13 172.797 . . 1 . . . . 51 LEU C . 6882 1 258 . 1 1 21 21 LEU CA C 13 56.934 . . 1 . . . . 51 LEU CA . 6882 1 259 . 1 1 21 21 LEU CB C 13 41.664 . . 1 . . . . 51 LEU CB . 6882 1 260 . 1 1 21 21 LEU CG C 13 25.455 . . 1 . . . . 51 LEU CG . 6882 1 261 . 1 1 21 21 LEU CD1 C 13 24.322 . . 1 . . . . 51 LEU CD1 . 6882 1 262 . 1 1 21 21 LEU CD2 C 13 24.322 . . 1 . . . . 51 LEU CD2 . 6882 1 263 . 1 1 21 21 LEU N N 15 122.485 . . 1 . . . . 51 LEU N . 6882 1 264 . 1 1 22 22 TYR H H 1 8.744 . . 1 . . . . 52 TYR HN . 6882 1 265 . 1 1 22 22 TYR HA H 1 4.344 . . 1 . . . . 52 TYR HA . 6882 1 266 . 1 1 22 22 TYR HB2 H 1 3.323 . . 1 . . . . 52 TYR HB1 . 6882 1 267 . 1 1 22 22 TYR HB3 H 1 3.323 . . 1 . . . . 52 TYR HB2 . 6882 1 268 . 1 1 22 22 TYR HD1 H 1 7.078 . . 1 . . . . 52 TYR HD1 . 6882 1 269 . 1 1 22 22 TYR HD2 H 1 7.078 . . 1 . . . . 52 TYR HD2 . 6882 1 270 . 1 1 22 22 TYR HE1 H 1 6.773 . . 1 . . . . 52 TYR HE1 . 6882 1 271 . 1 1 22 22 TYR HE2 H 1 6.773 . . 1 . . . . 52 TYR HE2 . 6882 1 272 . 1 1 22 22 TYR C C 13 173.066 . . 1 . . . . 52 TYR C . 6882 1 273 . 1 1 22 22 TYR CA C 13 59.311 . . 1 . . . . 52 TYR CA . 6882 1 274 . 1 1 22 22 TYR CB C 13 35.053 . . 1 . . . . 52 TYR CB . 6882 1 275 . 1 1 22 22 TYR CD1 C 13 133.082 . . 1 . . . . 52 TYR CD1 . 6882 1 276 . 1 1 22 22 TYR CD2 C 13 133.082 . . 1 . . . . 52 TYR CD2 . 6882 1 277 . 1 1 22 22 TYR CE1 C 13 117.873 . . 1 . . . . 52 TYR CE1 . 6882 1 278 . 1 1 22 22 TYR CE2 C 13 117.873 . . 1 . . . . 52 TYR CE2 . 6882 1 279 . 1 1 22 22 TYR N N 15 118.266 . . 1 . . . . 52 TYR N . 6882 1 280 . 1 1 23 23 SER H H 1 7.969 . . 1 . . . . 53 SER HN . 6882 1 281 . 1 1 23 23 SER HA H 1 4.236 . . 1 . . . . 53 SER HA . 6882 1 282 . 1 1 23 23 SER HB2 H 1 3.986 . . 2 . . . . 53 SER HB1 . 6882 1 283 . 1 1 23 23 SER HB3 H 1 3.827 . . 2 . . . . 53 SER HB2 . 6882 1 284 . 1 1 23 23 SER C C 13 176.027 . . 1 . . . . 53 SER C . 6882 1 285 . 1 1 23 23 SER CA C 13 60.083 . . 1 . . . . 53 SER CA . 6882 1 286 . 1 1 23 23 SER CB C 13 63.969 . . 1 . . . . 53 SER CB . 6882 1 287 . 1 1 23 23 SER N N 15 117.226 . . 1 . . . . 53 SER N . 6882 1 288 . 1 1 24 24 ARG H H 1 8.143 . . 1 . . . . 54 ARG HN . 6882 1 289 . 1 1 24 24 ARG HA H 1 5.197 . . 1 . . . . 54 ARG HA . 6882 1 290 . 1 1 24 24 ARG HB2 H 1 1.768 . . 2 . . . . 54 ARG HB1 . 6882 1 291 . 1 1 24 24 ARG HB3 H 1 1.812 . . 2 . . . . 54 ARG HB2 . 6882 1 292 . 1 1 24 24 ARG HG2 H 1 1.568 . . 2 . . . . 54 ARG HG1 . 6882 1 293 . 1 1 24 24 ARG HG3 H 1 1.833 . . 2 . . . . 54 ARG HG2 . 6882 1 294 . 1 1 24 24 ARG HD2 H 1 3.116 . . 2 . . . . 54 ARG HD1 . 6882 1 295 . 1 1 24 24 ARG HD3 H 1 2.979 . . 2 . . . . 54 ARG HD2 . 6882 1 296 . 1 1 24 24 ARG C C 13 174.091 . . 1 . . . . 54 ARG C . 6882 1 297 . 1 1 24 24 ARG CA C 13 55.580 . . 1 . . . . 54 ARG CA . 6882 1 298 . 1 1 24 24 ARG CB C 13 32.482 . . 1 . . . . 54 ARG CB . 6882 1 299 . 1 1 24 24 ARG CG C 13 27.917 . . 1 . . . . 54 ARG CG . 6882 1 300 . 1 1 24 24 ARG CD C 13 44.351 . . 1 . . . . 54 ARG CD . 6882 1 301 . 1 1 24 24 ARG N N 15 125.023 . . 1 . . . . 54 ARG N . 6882 1 302 . 1 1 25 25 GLU H H 1 9.167 . . 1 . . . . 55 GLU HN . 6882 1 303 . 1 1 25 25 GLU HA H 1 4.735 . . 1 . . . . 55 GLU HA . 6882 1 304 . 1 1 25 25 GLU HB2 H 1 1.745 . . 2 . . . . 55 GLU HB1 . 6882 1 305 . 1 1 25 25 GLU HB3 H 1 1.059 . . 2 . . . . 55 GLU HB2 . 6882 1 306 . 1 1 25 25 GLU HG2 H 1 2.335 . . 2 . . . . 55 GLU HG1 . 6882 1 307 . 1 1 25 25 GLU HG3 H 1 2.139 . . 2 . . . . 55 GLU HG2 . 6882 1 308 . 1 1 25 25 GLU C C 13 175.288 . . 1 . . . . 55 GLU C . 6882 1 309 . 1 1 25 25 GLU CA C 13 54.184 . . 1 . . . . 55 GLU CA . 6882 1 310 . 1 1 25 25 GLU CB C 13 32.894 . . 1 . . . . 55 GLU CB . 6882 1 311 . 1 1 25 25 GLU CG C 13 36.161 . . 1 . . . . 55 GLU CG . 6882 1 312 . 1 1 25 25 GLU N N 15 124.272 . . 1 . . . . 55 GLU N . 6882 1 313 . 1 1 26 26 ARG H H 1 8.876 . . 1 . . . . 56 ARG HN . 6882 1 314 . 1 1 26 26 ARG HA H 1 5.203 . . 1 . . . . 56 ARG HA . 6882 1 315 . 1 1 26 26 ARG HB2 H 1 1.673 . . 2 . . . . 56 ARG HB1 . 6882 1 316 . 1 1 26 26 ARG HB3 H 1 1.538 . . 2 . . . . 56 ARG HB2 . 6882 1 317 . 1 1 26 26 ARG HG2 H 1 1.425 . . 2 . . . . 56 ARG HG1 . 6882 1 318 . 1 1 26 26 ARG HG3 H 1 1.531 . . 2 . . . . 56 ARG HG2 . 6882 1 319 . 1 1 26 26 ARG HD2 H 1 3.077 . . 2 . . . . 56 ARG HD2 . 6882 1 320 . 1 1 26 26 ARG C C 13 173.902 . . 1 . . . . 56 ARG C . 6882 1 321 . 1 1 26 26 ARG CA C 13 54.398 . . 1 . . . . 56 ARG CA . 6882 1 322 . 1 1 26 26 ARG CB C 13 33.782 . . 1 . . . . 56 ARG CB . 6882 1 323 . 1 1 26 26 ARG CG C 13 27.827 . . 1 . . . . 56 ARG CG . 6882 1 324 . 1 1 26 26 ARG CD C 13 43.467 . . 1 . . . . 56 ARG CD . 6882 1 325 . 1 1 26 26 ARG N N 15 118.148 . . 1 . . . . 56 ARG N . 6882 1 326 . 1 1 27 27 TYR H H 1 8.265 . . 1 . . . . 57 TYR HN . 6882 1 327 . 1 1 27 27 TYR HA H 1 4.407 . . 1 . . . . 57 TYR HA . 6882 1 328 . 1 1 27 27 TYR HB2 H 1 2.546 . . 2 . . . . 57 TYR HB1 . 6882 1 329 . 1 1 27 27 TYR HB3 H 1 2.413 . . 2 . . . . 57 TYR HB2 . 6882 1 330 . 1 1 27 27 TYR HD1 H 1 6.820 . . 1 . . . . 57 TYR HD1 . 6882 1 331 . 1 1 27 27 TYR HD2 H 1 6.820 . . 1 . . . . 57 TYR HD2 . 6882 1 332 . 1 1 27 27 TYR HE1 H 1 6.500 . . 1 . . . . 57 TYR HE1 . 6882 1 333 . 1 1 27 27 TYR HE2 H 1 6.500 . . 1 . . . . 57 TYR HE2 . 6882 1 334 . 1 1 27 27 TYR C C 13 173.817 . . 1 . . . . 57 TYR C . 6882 1 335 . 1 1 27 27 TYR CA C 13 58.155 . . 1 . . . . 57 TYR CA . 6882 1 336 . 1 1 27 27 TYR CB C 13 42.084 . . 1 . . . . 57 TYR CB . 6882 1 337 . 1 1 27 27 TYR CD1 C 13 132.943 . . 1 . . . . 57 TYR CD1 . 6882 1 338 . 1 1 27 27 TYR CD2 C 13 132.943 . . 1 . . . . 57 TYR CD2 . 6882 1 339 . 1 1 27 27 TYR CE1 C 13 118.294 . . 1 . . . . 57 TYR CE1 . 6882 1 340 . 1 1 27 27 TYR CE2 C 13 118.294 . . 1 . . . . 57 TYR CE2 . 6882 1 341 . 1 1 27 27 TYR N N 15 121.886 . . 1 . . . . 57 TYR N . 6882 1 342 . 1 1 28 28 ILE H H 1 9.119 . . 1 . . . . 58 ILE HN . 6882 1 343 . 1 1 28 28 ILE HA H 1 4.354 . . 1 . . . . 58 ILE HA . 6882 1 344 . 1 1 28 28 ILE HB H 1 1.969 . . 1 . . . . 58 ILE HB . 6882 1 345 . 1 1 28 28 ILE HG12 H 1 1.192 . . 9 . . . . 58 ILE HG11 . 6882 1 346 . 1 1 28 28 ILE HG13 H 1 1.589 . . 9 . . . . 58 ILE HG12 . 6882 1 347 . 1 1 28 28 ILE HG21 H 1 1.042 . . 4 . . . . 58 ILE HG21 . 6882 1 348 . 1 1 28 28 ILE HG22 H 1 1.042 . . 4 . . . . 58 ILE HG21 . 6882 1 349 . 1 1 28 28 ILE HG23 H 1 1.042 . . 4 . . . . 58 ILE HG21 . 6882 1 350 . 1 1 28 28 ILE HD11 H 1 0.873 . . 1 . . . . 58 ILE HD11 . 6882 1 351 . 1 1 28 28 ILE HD12 H 1 0.873 . . 1 . . . . 58 ILE HD11 . 6882 1 352 . 1 1 28 28 ILE HD13 H 1 0.873 . . 1 . . . . 58 ILE HD11 . 6882 1 353 . 1 1 28 28 ILE C C 13 171.631 . . 1 . . . . 58 ILE C . 6882 1 354 . 1 1 28 28 ILE CA C 13 59.311 . . 1 . . . . 58 ILE CA . 6882 1 355 . 1 1 28 28 ILE CB C 13 40.785 . . 1 . . . . 58 ILE CB . 6882 1 356 . 1 1 28 28 ILE CG1 C 13 26.970 . . 2 . . . . 58 ILE CG1 . 6882 1 357 . 1 1 28 28 ILE CG2 C 13 18.195 . . 2 . . . . 58 ILE CG2 . 6882 1 358 . 1 1 28 28 ILE CD1 C 13 12.568 . . 1 . . . . 58 ILE CD1 . 6882 1 359 . 1 1 28 28 ILE N N 15 119.762 . . 1 . . . . 58 ILE N . 6882 1 360 . 1 1 29 29 CYS H H 1 9.210 . . 1 . . . . 59 CYS HN . 6882 1 361 . 1 1 29 29 CYS HA H 1 4.897 . . 1 . . . . 59 CYS HA . 6882 1 362 . 1 1 29 29 CYS HB2 H 1 2.951 . . 2 . . . . 59 CYS HB1 . 6882 1 363 . 1 1 29 29 CYS HB3 H 1 2.699 . . 2 . . . . 59 CYS HB2 . 6882 1 364 . 1 1 29 29 CYS C C 13 174.726 . . 1 . . . . 59 CYS C . 6882 1 365 . 1 1 29 29 CYS CA C 13 55.570 . . 1 . . . . 59 CYS CA . 6882 1 366 . 1 1 29 29 CYS CB C 13 37.388 . . 1 . . . . 59 CYS CB . 6882 1 367 . 1 1 29 29 CYS N N 15 126.501 . . 1 . . . . 59 CYS N . 6882 1 368 . 1 1 30 30 ASN H H 1 9.331 . . 1 . . . . 60 ASN HN . 6882 1 369 . 1 1 30 30 ASN HA H 1 4.661 . . 1 . . . . 60 ASN HA . 6882 1 370 . 1 1 30 30 ASN HB2 H 1 3.050 . . 2 . . . . 60 ASN HB1 . 6882 1 371 . 1 1 30 30 ASN HB3 H 1 2.414 . . 2 . . . . 60 ASN HB2 . 6882 1 372 . 1 1 30 30 ASN HD21 H 1 6.884 . . 2 . . . . 60 ASN HD21 . 6882 1 373 . 1 1 30 30 ASN HD22 H 1 7.538 . . 2 . . . . 60 ASN HD22 . 6882 1 374 . 1 1 30 30 ASN C C 13 175.467 . . 1 . . . . 60 ASN C . 6882 1 375 . 1 1 30 30 ASN CA C 13 52.707 . . 1 . . . . 60 ASN CA . 6882 1 376 . 1 1 30 30 ASN CB C 13 39.545 . . 1 . . . . 60 ASN CB . 6882 1 377 . 1 1 30 30 ASN N N 15 122.136 . . 1 . . . . 60 ASN N . 6882 1 378 . 1 1 30 30 ASN ND2 N 15 108.861 . . 1 . . . . 60 ASN ND2 . 6882 1 379 . 1 1 31 31 SER H H 1 8.512 . . 1 . . . . 61 SER HN . 6882 1 380 . 1 1 31 31 SER HA H 1 4.314 . . 1 . . . . 61 SER HA . 6882 1 381 . 1 1 31 31 SER HB2 H 1 3.912 . . 1 . . . . 61 SER HB1 . 6882 1 382 . 1 1 31 31 SER HB3 H 1 3.912 . . 1 . . . . 61 SER HB2 . 6882 1 383 . 1 1 31 31 SER C C 13 171.184 . . 1 . . . . 61 SER C . 6882 1 384 . 1 1 31 31 SER CA C 13 61.064 . . 1 . . . . 61 SER CA . 6882 1 385 . 1 1 31 31 SER CB C 13 62.823 . . 1 . . . . 61 SER CB . 6882 1 386 . 1 1 31 31 SER N N 15 113.491 . . 1 . . . . 61 SER N . 6882 1 387 . 1 1 32 32 GLY H H 1 8.937 . . 1 . . . . 62 GLY HN . 6882 1 388 . 1 1 32 32 GLY HA2 H 1 3.568 . . 2 . . . . 62 GLY HA1 . 6882 1 389 . 1 1 32 32 GLY HA3 H 1 4.159 . . 2 . . . . 62 GLY HA2 . 6882 1 390 . 1 1 32 32 GLY C C 13 174.948 . . 1 . . . . 62 GLY C . 6882 1 391 . 1 1 32 32 GLY CA C 13 44.793 . . 1 . . . . 62 GLY CA . 6882 1 392 . 1 1 32 32 GLY N N 15 114.735 . . 1 . . . . 62 GLY N . 6882 1 393 . 1 1 33 33 PHE H H 1 8.544 . . 1 . . . . 63 PHE HN . 6882 1 394 . 1 1 33 33 PHE HA H 1 5.009 . . 1 . . . . 63 PHE HA . 6882 1 395 . 1 1 33 33 PHE HB2 H 1 2.572 . . 2 . . . . 63 PHE HB1 . 6882 1 396 . 1 1 33 33 PHE HB3 H 1 3.336 . . 2 . . . . 63 PHE HB2 . 6882 1 397 . 1 1 33 33 PHE HD1 H 1 6.640 . . 1 . . . . 63 PHE HD1 . 6882 1 398 . 1 1 33 33 PHE HD2 H 1 6.640 . . 1 . . . . 63 PHE HD2 . 6882 1 399 . 1 1 33 33 PHE HE1 H 1 6.795 . . 1 . . . . 63 PHE HE1 . 6882 1 400 . 1 1 33 33 PHE HE2 H 1 6.795 . . 1 . . . . 63 PHE HE2 . 6882 1 401 . 1 1 33 33 PHE C C 13 176.036 . . 1 . . . . 63 PHE C . 6882 1 402 . 1 1 33 33 PHE CA C 13 56.421 . . 1 . . . . 63 PHE CA . 6882 1 403 . 1 1 33 33 PHE CB C 13 42.227 . . 1 . . . . 63 PHE CB . 6882 1 404 . 1 1 33 33 PHE CD1 C 13 130.885 . . 1 . . . . 63 PHE CD1 . 6882 1 405 . 1 1 33 33 PHE CD2 C 13 130.885 . . 1 . . . . 63 PHE CD2 . 6882 1 406 . 1 1 33 33 PHE N N 15 119.431 . . 1 . . . . 63 PHE N . 6882 1 407 . 1 1 34 34 LYS H H 1 9.654 . . 1 . . . . 64 LYS HN . 6882 1 408 . 1 1 34 34 LYS HA H 1 4.743 . . 1 . . . . 64 LYS HA . 6882 1 409 . 1 1 34 34 LYS HB2 H 1 1.752 . . 2 . . . . 64 LYS HB1 . 6882 1 410 . 1 1 34 34 LYS HB3 H 1 1.610 . . 2 . . . . 64 LYS HB2 . 6882 1 411 . 1 1 34 34 LYS HG2 H 1 1.296 . . 2 . . . . 64 LYS HG1 . 6882 1 412 . 1 1 34 34 LYS HG3 H 1 1.157 . . 2 . . . . 64 LYS HG2 . 6882 1 413 . 1 1 34 34 LYS HE2 H 1 2.932 . . 1 . . . . 64 LYS HE1 . 6882 1 414 . 1 1 34 34 LYS HE3 H 1 2.932 . . 1 . . . . 64 LYS HE2 . 6882 1 415 . 1 1 34 34 LYS C C 13 174.906 . . 1 . . . . 64 LYS C . 6882 1 416 . 1 1 34 34 LYS CA C 13 54.356 . . 1 . . . . 64 LYS CA . 6882 1 417 . 1 1 34 34 LYS CB C 13 36.546 . . 1 . . . . 64 LYS CB . 6882 1 418 . 1 1 34 34 LYS CG C 13 24.031 . . 1 . . . . 64 LYS CG . 6882 1 419 . 1 1 34 34 LYS CD C 13 27.084 . . 1 . . . . 64 LYS CD . 6882 1 420 . 1 1 34 34 LYS CE C 13 42.196 . . 1 . . . . 64 LYS CE . 6882 1 421 . 1 1 34 34 LYS N N 15 118.817 . . 1 . . . . 64 LYS N . 6882 1 422 . 1 1 35 35 ARG H H 1 8.593 . . 1 . . . . 65 ARG HN . 6882 1 423 . 1 1 35 35 ARG HA H 1 4.210 . . 1 . . . . 65 ARG HA . 6882 1 424 . 1 1 35 35 ARG HB2 H 1 1.711 . . 2 . . . . 65 ARG HB1 . 6882 1 425 . 1 1 35 35 ARG HB3 H 1 1.604 . . 2 . . . . 65 ARG HB2 . 6882 1 426 . 1 1 35 35 ARG HG2 H 1 1.354 . . 2 . . . . 65 ARG HG1 . 6882 1 427 . 1 1 35 35 ARG HG3 H 1 1.222 . . 2 . . . . 65 ARG HG2 . 6882 1 428 . 1 1 35 35 ARG HD2 H 1 2.967 . . 2 . . . . 65 ARG HD1 . 6882 1 429 . 1 1 35 35 ARG HD3 H 1 3.372 . . 2 . . . . 65 ARG HD2 . 6882 1 430 . 1 1 35 35 ARG C C 13 172.981 . . 1 . . . . 65 ARG C . 6882 1 431 . 1 1 35 35 ARG CA C 13 56.352 . . 1 . . . . 65 ARG CA . 6882 1 432 . 1 1 35 35 ARG CB C 13 31.254 . . 1 . . . . 65 ARG CB . 6882 1 433 . 1 1 35 35 ARG CG C 13 26.017 . . 1 . . . . 65 ARG CG . 6882 1 434 . 1 1 35 35 ARG CD C 13 43.428 . . 1 . . . . 65 ARG CD . 6882 1 435 . 1 1 35 35 ARG N N 15 124.225 . . 1 . . . . 65 ARG N . 6882 1 436 . 1 1 36 36 LYS H H 1 8.929 . . 1 . . . . 66 LYS HN . 6882 1 437 . 1 1 36 36 LYS HA H 1 4.066 . . 1 . . . . 66 LYS HA . 6882 1 438 . 1 1 36 36 LYS HB2 H 1 1.844 . . 2 . . . . 66 LYS HB1 . 6882 1 439 . 1 1 36 36 LYS HB3 H 1 1.665 . . 2 . . . . 66 LYS HB2 . 6882 1 440 . 1 1 36 36 LYS HG2 H 1 1.465 . . 2 . . . . 66 LYS HG1 . 6882 1 441 . 1 1 36 36 LYS HG3 H 1 1.673 . . 2 . . . . 66 LYS HG2 . 6882 1 442 . 1 1 36 36 LYS HD2 H 1 1.474 . . 2 . . . . 66 LYS HD1 . 6882 1 443 . 1 1 36 36 LYS HD3 H 1 1.545 . . 2 . . . . 66 LYS HD2 . 6882 1 444 . 1 1 36 36 LYS HE2 H 1 3.007 . . 2 . . . . 66 LYS HE2 . 6882 1 445 . 1 1 36 36 LYS C C 13 173.163 . . 1 . . . . 66 LYS C . 6882 1 446 . 1 1 36 36 LYS CA C 13 56.479 . . 1 . . . . 66 LYS CA . 6882 1 447 . 1 1 36 36 LYS CB C 13 34.156 . . 1 . . . . 66 LYS CB . 6882 1 448 . 1 1 36 36 LYS CG C 13 24.652 . . 1 . . . . 66 LYS CG . 6882 1 449 . 1 1 36 36 LYS CD C 13 30.325 . . 1 . . . . 66 LYS CD . 6882 1 450 . 1 1 36 36 LYS CE C 13 42.268 . . 1 . . . . 66 LYS CE . 6882 1 451 . 1 1 36 36 LYS N N 15 129.659 . . 1 . . . . 66 LYS N . 6882 1 452 . 1 1 37 37 ALA H H 1 8.901 . . 1 . . . . 67 ALA HN . 6882 1 453 . 1 1 37 37 ALA HA H 1 4.166 . . 1 . . . . 67 ALA HA . 6882 1 454 . 1 1 37 37 ALA HB1 H 1 1.449 . . 1 . . . . 67 ALA HB1 . 6882 1 455 . 1 1 37 37 ALA HB2 H 1 1.449 . . 1 . . . . 67 ALA HB1 . 6882 1 456 . 1 1 37 37 ALA HB3 H 1 1.449 . . 1 . . . . 67 ALA HB1 . 6882 1 457 . 1 1 37 37 ALA CA C 13 54.000 . . 1 . . . . 67 ALA CA . 6882 1 458 . 1 1 37 37 ALA CB C 13 18.292 . . 1 . . . . 67 ALA CB . 6882 1 459 . 1 1 37 37 ALA N N 15 132.997 . . 1 . . . . 67 ALA N . 6882 1 460 . 1 1 38 38 GLY HA2 H 1 3.734 . . 2 . . . . 68 GLY HA1 . 6882 1 461 . 1 1 38 38 GLY HA3 H 1 4.250 . . 2 . . . . 68 GLY HA2 . 6882 1 462 . 1 1 38 38 GLY C C 13 175.009 . . 1 . . . . 68 GLY C . 6882 1 463 . 1 1 38 38 GLY CA C 13 45.024 . . 1 . . . . 68 GLY CA . 6882 1 464 . 1 1 39 39 THR H H 1 8.000 . . 1 . . . . 69 THR HN . 6882 1 465 . 1 1 39 39 THR HA H 1 4.615 . . 1 . . . . 69 THR HA . 6882 1 466 . 1 1 39 39 THR HB H 1 4.136 . . 1 . . . . 69 THR HB . 6882 1 467 . 1 1 39 39 THR HG21 H 1 1.062 . . 1 . . . . 69 THR HG21 . 6882 1 468 . 1 1 39 39 THR HG22 H 1 1.062 . . 1 . . . . 69 THR HG21 . 6882 1 469 . 1 1 39 39 THR HG23 H 1 1.062 . . 1 . . . . 69 THR HG21 . 6882 1 470 . 1 1 39 39 THR C C 13 176.307 . . 1 . . . . 69 THR C . 6882 1 471 . 1 1 39 39 THR CA C 13 60.756 . . 1 . . . . 69 THR CA . 6882 1 472 . 1 1 39 39 THR CB C 13 70.838 . . 1 . . . . 69 THR CB . 6882 1 473 . 1 1 39 39 THR CG2 C 13 22.389 . . 1 . . . . 69 THR CG2 . 6882 1 474 . 1 1 39 39 THR N N 15 111.282 . . 1 . . . . 69 THR N . 6882 1 475 . 1 1 40 40 SER H H 1 8.160 . . 1 . . . . 70 SER HN . 6882 1 476 . 1 1 40 40 SER HA H 1 5.095 . . 1 . . . . 70 SER HA . 6882 1 477 . 1 1 40 40 SER HB2 H 1 3.897 . . 2 . . . . 70 SER HB1 . 6882 1 478 . 1 1 40 40 SER HB3 H 1 3.834 . . 2 . . . . 70 SER HB2 . 6882 1 479 . 1 1 40 40 SER CA C 13 55.500 . . 1 . . . . 70 SER CA . 6882 1 480 . 1 1 40 40 SER CB C 13 64.500 . . 1 . . . . 70 SER CB . 6882 1 481 . 1 1 40 40 SER N N 15 113.789 . . 1 . . . . 70 SER N . 6882 1 482 . 1 1 41 41 SER HA H 1 4.391 . . 1 . . . . 71 SER HA . 6882 1 483 . 1 1 41 41 SER HB2 H 1 4.673 . . 2 . . . . 71 SER HB1 . 6882 1 484 . 1 1 41 41 SER HB3 H 1 4.005 . . 2 . . . . 71 SER HB2 . 6882 1 485 . 1 1 41 41 SER C C 13 176.200 . . 1 . . . . 71 SER C . 6882 1 486 . 1 1 41 41 SER CA C 13 58.110 . . 1 . . . . 71 SER CA . 6882 1 487 . 1 1 41 41 SER CB C 13 65.113 . . 1 . . . . 71 SER CB . 6882 1 488 . 1 1 42 42 LEU H H 1 7.543 . . 1 . . . . 72 LEU HN . 6882 1 489 . 1 1 42 42 LEU HA H 1 4.718 . . 1 . . . . 72 LEU HA . 6882 1 490 . 1 1 42 42 LEU HB2 H 1 1.686 . . 2 . . . . 72 LEU HB1 . 6882 1 491 . 1 1 42 42 LEU HB3 H 1 1.515 . . 2 . . . . 72 LEU HB2 . 6882 1 492 . 1 1 42 42 LEU HG H 1 0.871 . . 1 . . . . 72 LEU HG . 6882 1 493 . 1 1 42 42 LEU HD11 H 1 0.873 . . 4 . . . . 72 LEU HD11 . 6882 1 494 . 1 1 42 42 LEU HD12 H 1 0.873 . . 4 . . . . 72 LEU HD11 . 6882 1 495 . 1 1 42 42 LEU HD13 H 1 0.873 . . 4 . . . . 72 LEU HD11 . 6882 1 496 . 1 1 42 42 LEU HD21 H 1 0.900 . . 4 . . . . 72 LEU HD21 . 6882 1 497 . 1 1 42 42 LEU HD22 H 1 0.900 . . 4 . . . . 72 LEU HD21 . 6882 1 498 . 1 1 42 42 LEU HD23 H 1 0.900 . . 4 . . . . 72 LEU HD21 . 6882 1 499 . 1 1 42 42 LEU C C 13 173.165 . . 1 . . . . 72 LEU C . 6882 1 500 . 1 1 42 42 LEU CA C 13 56.380 . . 1 . . . . 72 LEU CA . 6882 1 501 . 1 1 42 42 LEU CB C 13 43.666 . . 1 . . . . 72 LEU CB . 6882 1 502 . 1 1 42 42 LEU CG C 13 26.661 . . 1 . . . . 72 LEU CG . 6882 1 503 . 1 1 42 42 LEU CD1 C 13 25.224 . . 2 . . . . 72 LEU CD1 . 6882 1 504 . 1 1 42 42 LEU CD2 C 13 23.985 . . 1 . . . . 72 LEU CD2 . 6882 1 505 . 1 1 42 42 LEU N N 15 122.966 . . 1 . . . . 72 LEU N . 6882 1 506 . 1 1 43 43 THR H H 1 9.024 . . 1 . . . . 73 THR HN . 6882 1 507 . 1 1 43 43 THR HA H 1 4.611 . . 1 . . . . 73 THR HA . 6882 1 508 . 1 1 43 43 THR HB H 1 3.998 . . 1 . . . . 73 THR HB . 6882 1 509 . 1 1 43 43 THR HG21 H 1 0.675 . . 1 . . . . 73 THR HG21 . 6882 1 510 . 1 1 43 43 THR HG22 H 1 0.675 . . 1 . . . . 73 THR HG21 . 6882 1 511 . 1 1 43 43 THR HG23 H 1 0.675 . . 1 . . . . 73 THR HG21 . 6882 1 512 . 1 1 43 43 THR C C 13 179.353 . . 1 . . . . 73 THR C . 6882 1 513 . 1 1 43 43 THR CA C 13 60.756 . . 1 . . . . 73 THR CA . 6882 1 514 . 1 1 43 43 THR CB C 13 70.555 . . 1 . . . . 73 THR CB . 6882 1 515 . 1 1 43 43 THR CG2 C 13 19.065 . . 1 . . . . 73 THR CG2 . 6882 1 516 . 1 1 43 43 THR N N 15 121.680 . . 1 . . . . 73 THR N . 6882 1 517 . 1 1 44 44 GLU H H 1 8.703 . . 1 . . . . 74 GLU HN . 6882 1 518 . 1 1 44 44 GLU HA H 1 5.870 . . 1 . . . . 74 GLU HA . 6882 1 519 . 1 1 44 44 GLU HB2 H 1 1.904 . . 2 . . . . 74 GLU HB1 . 6882 1 520 . 1 1 44 44 GLU HB3 H 1 1.837 . . 2 . . . . 74 GLU HB2 . 6882 1 521 . 1 1 44 44 GLU HG2 H 1 2.113 . . 1 . . . . 74 GLU HG1 . 6882 1 522 . 1 1 44 44 GLU HG3 H 1 2.113 . . 1 . . . . 74 GLU HG2 . 6882 1 523 . 1 1 44 44 GLU C C 13 174.735 . . 1 . . . . 74 GLU C . 6882 1 524 . 1 1 44 44 GLU CA C 13 53.726 . . 1 . . . . 74 GLU CA . 6882 1 525 . 1 1 44 44 GLU CB C 13 34.349 . . 1 . . . . 74 GLU CB . 6882 1 526 . 1 1 44 44 GLU CG C 13 36.701 . . 1 . . . . 74 GLU CG . 6882 1 527 . 1 1 44 44 GLU N N 15 128.319 . . 1 . . . . 74 GLU N . 6882 1 528 . 1 1 45 45 CYS H H 1 8.144 . . 1 . . . . 75 CYS HN . 6882 1 529 . 1 1 45 45 CYS HA H 1 4.056 . . 1 . . . . 75 CYS HA . 6882 1 530 . 1 1 45 45 CYS HB2 H 1 2.281 . . 2 . . . . 75 CYS HB1 . 6882 1 531 . 1 1 45 45 CYS HB3 H 1 0.832 . . 2 . . . . 75 CYS HB2 . 6882 1 532 . 1 1 45 45 CYS C C 13 175.567 . . 1 . . . . 75 CYS C . 6882 1 533 . 1 1 45 45 CYS CA C 13 54.694 . . 1 . . . . 75 CYS CA . 6882 1 534 . 1 1 45 45 CYS CB C 13 38.648 . . 1 . . . . 75 CYS CB . 6882 1 535 . 1 1 45 45 CYS N N 15 125.761 . . 1 . . . . 75 CYS N . 6882 1 536 . 1 1 46 46 VAL H H 1 8.718 . . 1 . . . . 76 VAL HN . 6882 1 537 . 1 1 46 46 VAL HA H 1 4.430 . . 1 . . . . 76 VAL HA . 6882 1 538 . 1 1 46 46 VAL HB H 1 2.006 . . 1 . . . . 76 VAL HB . 6882 1 539 . 1 1 46 46 VAL HG11 H 1 0.403 . . 4 . . . . 76 VAL HG11 . 6882 1 540 . 1 1 46 46 VAL HG12 H 1 0.403 . . 4 . . . . 76 VAL HG11 . 6882 1 541 . 1 1 46 46 VAL HG13 H 1 0.403 . . 4 . . . . 76 VAL HG11 . 6882 1 542 . 1 1 46 46 VAL HG21 H 1 0.737 . . 4 . . . . 76 VAL HG21 . 6882 1 543 . 1 1 46 46 VAL HG22 H 1 0.737 . . 4 . . . . 76 VAL HG21 . 6882 1 544 . 1 1 46 46 VAL HG23 H 1 0.737 . . 4 . . . . 76 VAL HG21 . 6882 1 545 . 1 1 46 46 VAL C C 13 176.120 . . 1 . . . . 76 VAL C . 6882 1 546 . 1 1 46 46 VAL CA C 13 59.022 . . 1 . . . . 76 VAL CA . 6882 1 547 . 1 1 46 46 VAL CB C 13 35.331 . . 1 . . . . 76 VAL CB . 6882 1 548 . 1 1 46 46 VAL CG1 C 13 18.255 . . 2 . . . . 76 VAL CG1 . 6882 1 549 . 1 1 46 46 VAL CG2 C 13 21.332 . . 2 . . . . 76 VAL CG2 . 6882 1 550 . 1 1 46 46 VAL N N 15 124.893 . . 1 . . . . 76 VAL N . 6882 1 551 . 1 1 47 47 LEU H H 1 7.919 . . 1 . . . . 77 LEU HN . 6882 1 552 . 1 1 47 47 LEU HA H 1 4.297 . . 1 . . . . 77 LEU HA . 6882 1 553 . 1 1 47 47 LEU HB2 H 1 1.502 . . 2 . . . . 77 LEU HB1 . 6882 1 554 . 1 1 47 47 LEU HB3 H 1 1.228 . . 2 . . . . 77 LEU HB2 . 6882 1 555 . 1 1 47 47 LEU HG H 1 1.154 . . 1 . . . . 77 LEU HG . 6882 1 556 . 1 1 47 47 LEU HD11 H 1 0.677 . . 4 . . . . 77 LEU HD11 . 6882 1 557 . 1 1 47 47 LEU HD12 H 1 0.677 . . 4 . . . . 77 LEU HD11 . 6882 1 558 . 1 1 47 47 LEU HD13 H 1 0.677 . . 4 . . . . 77 LEU HD11 . 6882 1 559 . 1 1 47 47 LEU HD21 H 1 0.597 . . 2 . . . . 77 LEU HD21 . 6882 1 560 . 1 1 47 47 LEU HD22 H 1 0.597 . . 2 . . . . 77 LEU HD21 . 6882 1 561 . 1 1 47 47 LEU HD23 H 1 0.597 . . 2 . . . . 77 LEU HD21 . 6882 1 562 . 1 1 47 47 LEU C C 13 172.330 . . 1 . . . . 77 LEU C . 6882 1 563 . 1 1 47 47 LEU CA C 13 53.548 . . 1 . . . . 77 LEU CA . 6882 1 564 . 1 1 47 47 LEU CB C 13 44.170 . . 1 . . . . 77 LEU CB . 6882 1 565 . 1 1 47 47 LEU CG C 13 26.645 . . 1 . . . . 77 LEU CG . 6882 1 566 . 1 1 47 47 LEU CD1 C 13 24.922 . . 2 . . . . 77 LEU CD1 . 6882 1 567 . 1 1 47 47 LEU CD2 C 13 23.388 . . 2 . . . . 77 LEU CD2 . 6882 1 568 . 1 1 47 47 LEU N N 15 119.450 . . 1 . . . . 77 LEU N . 6882 1 569 . 1 1 48 48 ASN H H 1 8.377 . . 1 . . . . 78 ASN HN . 6882 1 570 . 1 1 48 48 ASN HA H 1 4.771 . . 1 . . . . 78 ASN HA . 6882 1 571 . 1 1 48 48 ASN HB2 H 1 3.322 . . 2 . . . . 78 ASN HB1 . 6882 1 572 . 1 1 48 48 ASN HB3 H 1 2.584 . . 2 . . . . 78 ASN HB2 . 6882 1 573 . 1 1 48 48 ASN HD21 H 1 7.060 . . 2 . . . . 78 ASN HD21 . 6882 1 574 . 1 1 48 48 ASN HD22 H 1 7.342 . . 2 . . . . 78 ASN HD22 . 6882 1 575 . 1 1 48 48 ASN C C 13 173.084 . . 1 . . . . 78 ASN C . 6882 1 576 . 1 1 48 48 ASN CA C 13 53.136 . . 1 . . . . 78 ASN CA . 6882 1 577 . 1 1 48 48 ASN CB C 13 38.267 . . 1 . . . . 78 ASN CB . 6882 1 578 . 1 1 48 48 ASN CG C 13 166.399 . . 1 . . . . 78 ASN CG . 6882 1 579 . 1 1 48 48 ASN N N 15 125.088 . . 1 . . . . 78 ASN N . 6882 1 580 . 1 1 48 48 ASN ND2 N 15 113.265 . . 1 . . . . 78 ASN ND2 . 6882 1 581 . 1 1 49 49 LYS H H 1 8.899 . . 1 . . . . 79 LYS HN . 6882 1 582 . 1 1 49 49 LYS HA H 1 3.945 . . 1 . . . . 79 LYS HA . 6882 1 583 . 1 1 49 49 LYS HB2 H 1 1.850 . . 2 . . . . 79 LYS HB1 . 6882 1 584 . 1 1 49 49 LYS HB3 H 1 1.797 . . 2 . . . . 79 LYS HB2 . 6882 1 585 . 1 1 49 49 LYS HG2 H 1 1.436 . . 2 . . . . 79 LYS HG1 . 6882 1 586 . 1 1 49 49 LYS HG3 H 1 1.547 . . 2 . . . . 79 LYS HG2 . 6882 1 587 . 1 1 49 49 LYS HD2 H 1 1.699 . . 1 . . . . 79 LYS HD1 . 6882 1 588 . 1 1 49 49 LYS HD3 H 1 1.699 . . 1 . . . . 79 LYS HD2 . 6882 1 589 . 1 1 49 49 LYS HE2 H 1 3.000 . . 1 . . . . 79 LYS HE1 . 6882 1 590 . 1 1 49 49 LYS HE3 H 1 3.000 . . 1 . . . . 79 LYS HE2 . 6882 1 591 . 1 1 49 49 LYS C C 13 172.140 . . 1 . . . . 79 LYS C . 6882 1 592 . 1 1 49 49 LYS CA C 13 58.494 . . 1 . . . . 79 LYS CA . 6882 1 593 . 1 1 49 49 LYS CB C 13 32.132 . . 1 . . . . 79 LYS CB . 6882 1 594 . 1 1 49 49 LYS CG C 13 25.216 . . 1 . . . . 79 LYS CG . 6882 1 595 . 1 1 49 49 LYS CD C 13 28.873 . . 1 . . . . 79 LYS CD . 6882 1 596 . 1 1 49 49 LYS CE C 13 42.166 . . 1 . . . . 79 LYS CE . 6882 1 597 . 1 1 49 49 LYS N N 15 126.956 . . 1 . . . . 79 LYS N . 6882 1 598 . 1 1 50 50 ALA H H 1 8.270 . . 1 . . . . 80 ALA HN . 6882 1 599 . 1 1 50 50 ALA HA H 1 4.286 . . 1 . . . . 80 ALA HA . 6882 1 600 . 1 1 50 50 ALA HB1 H 1 1.497 . . 1 . . . . 80 ALA HB1 . 6882 1 601 . 1 1 50 50 ALA HB2 H 1 1.497 . . 1 . . . . 80 ALA HB1 . 6882 1 602 . 1 1 50 50 ALA HB3 H 1 1.497 . . 1 . . . . 80 ALA HB1 . 6882 1 603 . 1 1 50 50 ALA C C 13 177.917 . . 1 . . . . 80 ALA C . 6882 1 604 . 1 1 50 50 ALA CA C 13 54.510 . . 1 . . . . 80 ALA CA . 6882 1 605 . 1 1 50 50 ALA CB C 13 18.862 . . 1 . . . . 80 ALA CB . 6882 1 606 . 1 1 50 50 ALA N N 15 120.206 . . 1 . . . . 80 ALA N . 6882 1 607 . 1 1 51 51 THR H H 1 7.271 . . 1 . . . . 81 THR HN . 6882 1 608 . 1 1 51 51 THR HA H 1 4.775 . . 1 . . . . 81 THR HA . 6882 1 609 . 1 1 51 51 THR HB H 1 4.308 . . 1 . . . . 81 THR HB . 6882 1 610 . 1 1 51 51 THR HG21 H 1 1.061 . . 1 . . . . 81 THR HG21 . 6882 1 611 . 1 1 51 51 THR HG22 H 1 1.061 . . 1 . . . . 81 THR HG21 . 6882 1 612 . 1 1 51 51 THR HG23 H 1 1.061 . . 1 . . . . 81 THR HG21 . 6882 1 613 . 1 1 51 51 THR C C 13 169.926 . . 1 . . . . 81 THR C . 6882 1 614 . 1 1 51 51 THR CA C 13 66.264 . . 1 . . . . 81 THR CA . 6882 1 615 . 1 1 51 51 THR CB C 13 70.294 . . 1 . . . . 81 THR CB . 6882 1 616 . 1 1 51 51 THR CG2 C 13 21.613 . . 1 . . . . 81 THR CG2 . 6882 1 617 . 1 1 51 51 THR N N 15 105.200 . . 1 . . . . 81 THR N . 6882 1 618 . 1 1 52 52 ASN H H 1 8.539 . . 1 . . . . 82 ASN HN . 6882 1 619 . 1 1 52 52 ASN HA H 1 4.202 . . 1 . . . . 82 ASN HA . 6882 1 620 . 1 1 52 52 ASN HB2 H 1 2.626 . . 2 . . . . 82 ASN HB1 . 6882 1 621 . 1 1 52 52 ASN HB3 H 1 3.134 . . 2 . . . . 82 ASN HB2 . 6882 1 622 . 1 1 52 52 ASN HD21 H 1 6.595 . . 2 . . . . 82 ASN HD21 . 6882 1 623 . 1 1 52 52 ASN HD22 H 1 7.421 . . 2 . . . . 82 ASN HD22 . 6882 1 624 . 1 1 52 52 ASN C C 13 176.123 . . 1 . . . . 82 ASN C . 6882 1 625 . 1 1 52 52 ASN CA C 13 53.808 . . 1 . . . . 82 ASN CA . 6882 1 626 . 1 1 52 52 ASN CB C 13 37.865 . . 1 . . . . 82 ASN CB . 6882 1 627 . 1 1 52 52 ASN CG C 13 171.200 . . 1 . . . . 82 ASN CG . 6882 1 628 . 1 1 52 52 ASN N N 15 119.003 . . 1 . . . . 82 ASN N . 6882 1 629 . 1 1 52 52 ASN ND2 N 15 111.354 . . 1 . . . . 82 ASN ND2 . 6882 1 630 . 1 1 53 53 VAL H H 1 7.207 . . 1 . . . . 83 VAL HN . 6882 1 631 . 1 1 53 53 VAL HA H 1 4.170 . . 1 . . . . 83 VAL HA . 6882 1 632 . 1 1 53 53 VAL HB H 1 1.872 . . 1 . . . . 83 VAL HB . 6882 1 633 . 1 1 53 53 VAL HG11 H 1 0.827 . . 4 . . . . 83 VAL HG11 . 6882 1 634 . 1 1 53 53 VAL HG12 H 1 0.827 . . 4 . . . . 83 VAL HG11 . 6882 1 635 . 1 1 53 53 VAL HG13 H 1 0.827 . . 4 . . . . 83 VAL HG11 . 6882 1 636 . 1 1 53 53 VAL HG21 H 1 0.884 . . 4 . . . . 83 VAL HG21 . 6882 1 637 . 1 1 53 53 VAL HG22 H 1 0.884 . . 4 . . . . 83 VAL HG21 . 6882 1 638 . 1 1 53 53 VAL HG23 H 1 0.884 . . 4 . . . . 83 VAL HG21 . 6882 1 639 . 1 1 53 53 VAL C C 13 174.264 . . 1 . . . . 83 VAL C . 6882 1 640 . 1 1 53 53 VAL CA C 13 61.301 . . 1 . . . . 83 VAL CA . 6882 1 641 . 1 1 53 53 VAL CB C 13 34.518 . . 1 . . . . 83 VAL CB . 6882 1 642 . 1 1 53 53 VAL CG1 C 13 20.841 . . 2 . . . . 83 VAL CG1 . 6882 1 643 . 1 1 53 53 VAL CG2 C 13 21.429 . . 2 . . . . 83 VAL CG2 . 6882 1 644 . 1 1 53 53 VAL N N 15 116.269 . . 1 . . . . 83 VAL N . 6882 1 645 . 1 1 54 54 ALA H H 1 8.395 . . 1 . . . . 84 ALA HN . 6882 1 646 . 1 1 54 54 ALA HA H 1 5.089 . . 1 . . . . 84 ALA HA . 6882 1 647 . 1 1 54 54 ALA HB1 H 1 0.922 . . 1 . . . . 84 ALA HB1 . 6882 1 648 . 1 1 54 54 ALA HB2 H 1 0.922 . . 1 . . . . 84 ALA HB1 . 6882 1 649 . 1 1 54 54 ALA HB3 H 1 0.922 . . 1 . . . . 84 ALA HB1 . 6882 1 650 . 1 1 54 54 ALA C C 13 173.348 . . 1 . . . . 84 ALA C . 6882 1 651 . 1 1 54 54 ALA CA C 13 50.929 . . 1 . . . . 84 ALA CA . 6882 1 652 . 1 1 54 54 ALA CB C 13 19.398 . . 1 . . . . 84 ALA CB . 6882 1 653 . 1 1 54 54 ALA N N 15 131.331 . . 1 . . . . 84 ALA N . 6882 1 654 . 1 1 55 55 HIS H H 1 9.200 . . 1 . . . . 85 HIS HN . 6882 1 655 . 1 1 55 55 HIS HA H 1 4.527 . . 1 . . . . 85 HIS HA . 6882 1 656 . 1 1 55 55 HIS HB2 H 1 3.165 . . 2 . . . . 85 HIS HB1 . 6882 1 657 . 1 1 55 55 HIS HB3 H 1 3.027 . . 2 . . . . 85 HIS HB2 . 6882 1 658 . 1 1 55 55 HIS HD2 H 1 6.779 . . 3 . . . . 85 HIS HD2 . 6882 1 659 . 1 1 55 55 HIS C C 13 176.948 . . 1 . . . . 85 HIS C . 6882 1 660 . 1 1 55 55 HIS CA C 13 54.109 . . 1 . . . . 85 HIS CA . 6882 1 661 . 1 1 55 55 HIS CB C 13 32.835 . . 1 . . . . 85 HIS CB . 6882 1 662 . 1 1 55 55 HIS CD2 C 13 119.746 . . 1 . . . . 85 HIS CD2 . 6882 1 663 . 1 1 55 55 HIS N N 15 121.108 . . 1 . . . . 85 HIS N . 6882 1 664 . 1 1 56 56 TRP H H 1 8.470 . . 1 . . . . 86 TRP HN . 6882 1 665 . 1 1 56 56 TRP HA H 1 5.288 . . 1 . . . . 86 TRP HA . 6882 1 666 . 1 1 56 56 TRP HB2 H 1 3.804 . . 2 . . . . 86 TRP HB1 . 6882 1 667 . 1 1 56 56 TRP HB3 H 1 2.902 . . 2 . . . . 86 TRP HB2 . 6882 1 668 . 1 1 56 56 TRP HD1 H 1 7.056 . . 1 . . . . 86 TRP HD1 . 6882 1 669 . 1 1 56 56 TRP HE1 H 1 10.637 . . 2 . . . . 86 TRP HE1 . 6882 1 670 . 1 1 56 56 TRP HE3 H 1 6.250 . . 3 . . . . 86 TRP HE3 . 6882 1 671 . 1 1 56 56 TRP HZ2 H 1 7.040 . . 3 . . . . 86 TRP HZ2 . 6882 1 672 . 1 1 56 56 TRP HZ3 H 1 6.767 . . 3 . . . . 86 TRP HZ3 . 6882 1 673 . 1 1 56 56 TRP HH2 H 1 7.275 . . 1 . . . . 86 TRP HH2 . 6882 1 674 . 1 1 56 56 TRP C C 13 181.253 . . 1 . . . . 86 TRP C . 6882 1 675 . 1 1 56 56 TRP CA C 13 55.843 . . 1 . . . . 86 TRP CA . 6882 1 676 . 1 1 56 56 TRP CB C 13 29.756 . . 1 . . . . 86 TRP CB . 6882 1 677 . 1 1 56 56 TRP CZ2 C 13 112.436 . . 3 . . . . 86 TRP CZ2 . 6882 1 678 . 1 1 56 56 TRP CZ3 C 13 121.635 . . 3 . . . . 86 TRP CZ3 . 6882 1 679 . 1 1 56 56 TRP CH2 C 13 125.040 . . 1 . . . . 86 TRP CH2 . 6882 1 680 . 1 1 56 56 TRP N N 15 121.169 . . 1 . . . . 86 TRP N . 6882 1 681 . 1 1 56 56 TRP NE1 N 15 129.699 . . 1 . . . . 86 TRP NE1 . 6882 1 682 . 1 1 57 57 THR H H 1 9.483 . . 1 . . . . 87 THR HN . 6882 1 683 . 1 1 57 57 THR HA H 1 4.775 . . 1 . . . . 87 THR HA . 6882 1 684 . 1 1 57 57 THR HB H 1 4.476 . . 1 . . . . 87 THR HB . 6882 1 685 . 1 1 57 57 THR HG21 H 1 1.464 . . 1 . . . . 87 THR HG21 . 6882 1 686 . 1 1 57 57 THR HG22 H 1 1.464 . . 1 . . . . 87 THR HG21 . 6882 1 687 . 1 1 57 57 THR HG23 H 1 1.464 . . 1 . . . . 87 THR HG21 . 6882 1 688 . 1 1 57 57 THR C C 13 169.425 . . 1 . . . . 87 THR C . 6882 1 689 . 1 1 57 57 THR CA C 13 65.307 . . 1 . . . . 87 THR CA . 6882 1 690 . 1 1 57 57 THR CB C 13 69.427 . . 1 . . . . 87 THR CB . 6882 1 691 . 1 1 57 57 THR CG2 C 13 23.734 . . 1 . . . . 87 THR CG2 . 6882 1 692 . 1 1 57 57 THR N N 15 116.999 . . 1 . . . . 87 THR N . 6882 1 693 . 1 1 58 58 THR H H 1 8.799 . . 1 . . . . 88 THR HN . 6882 1 694 . 1 1 58 58 THR HA H 1 4.775 . . 1 . . . . 88 THR HA . 6882 1 695 . 1 1 58 58 THR HB H 1 4.052 . . 1 . . . . 88 THR HB . 6882 1 696 . 1 1 58 58 THR HG21 H 1 1.233 . . 1 . . . . 88 THR HG21 . 6882 1 697 . 1 1 58 58 THR HG22 H 1 1.233 . . 1 . . . . 88 THR HG21 . 6882 1 698 . 1 1 58 58 THR HG23 H 1 1.233 . . 1 . . . . 88 THR HG21 . 6882 1 699 . 1 1 58 58 THR CB C 13 69.692 . . 1 . . . . 88 THR CB . 6882 1 700 . 1 1 58 58 THR CG2 C 13 21.256 . . 1 . . . . 88 THR CG2 . 6882 1 701 . 1 1 58 58 THR N N 15 121.786 . . 1 . . . . 88 THR N . 6882 1 702 . 1 1 59 59 PRO HA H 1 4.877 . . 1 . . . . 89 PRO HA . 6882 1 703 . 1 1 59 59 PRO HB2 H 1 2.090 . . 2 . . . . 89 PRO HB1 . 6882 1 704 . 1 1 59 59 PRO HB3 H 1 1.856 . . 2 . . . . 89 PRO HB2 . 6882 1 705 . 1 1 59 59 PRO HG2 H 1 1.758 . . 1 . . . . 89 PRO HG1 . 6882 1 706 . 1 1 59 59 PRO HG3 H 1 1.758 . . 1 . . . . 89 PRO HG2 . 6882 1 707 . 1 1 59 59 PRO HD2 H 1 4.152 . . 2 . . . . 89 PRO HD1 . 6882 1 708 . 1 1 59 59 PRO HD3 H 1 3.849 . . 2 . . . . 89 PRO HD2 . 6882 1 709 . 1 1 59 59 PRO C C 13 172.603 . . 1 . . . . 89 PRO C . 6882 1 710 . 1 1 59 59 PRO CA C 13 62.170 . . 1 . . . . 89 PRO CA . 6882 1 711 . 1 1 59 59 PRO CB C 13 31.852 . . 1 . . . . 89 PRO CB . 6882 1 712 . 1 1 59 59 PRO CG C 13 26.446 . . 1 . . . . 89 PRO CG . 6882 1 713 . 1 1 59 59 PRO CD C 13 50.693 . . 1 . . . . 89 PRO CD . 6882 1 714 . 1 1 60 60 SER H H 1 8.582 . . 1 . . . . 90 SER HN . 6882 1 715 . 1 1 60 60 SER HA H 1 4.417 . . 1 . . . . 90 SER HA . 6882 1 716 . 1 1 60 60 SER HB2 H 1 3.976 . . 2 . . . . 90 SER HB1 . 6882 1 717 . 1 1 60 60 SER HB3 H 1 4.230 . . 2 . . . . 90 SER HB2 . 6882 1 718 . 1 1 60 60 SER C C 13 174.822 . . 1 . . . . 90 SER C . 6882 1 719 . 1 1 60 60 SER CA C 13 57.288 . . 1 . . . . 90 SER CA . 6882 1 720 . 1 1 60 60 SER CB C 13 64.271 . . 1 . . . . 90 SER CB . 6882 1 721 . 1 1 60 60 SER N N 15 115.261 . . 1 . . . . 90 SER N . 6882 1 722 . 1 1 61 61 LEU H H 1 6.969 . . 1 . . . . 91 LEU HN . 6882 1 723 . 1 1 61 61 LEU HA H 1 3.604 . . 1 . . . . 91 LEU HA . 6882 1 724 . 1 1 61 61 LEU HB2 H 1 1.245 . . 2 . . . . 91 LEU HB1 . 6882 1 725 . 1 1 61 61 LEU HB3 H 1 1.483 . . 2 . . . . 91 LEU HB2 . 6882 1 726 . 1 1 61 61 LEU HG H 1 0.475 . . 1 . . . . 91 LEU HG . 6882 1 727 . 1 1 61 61 LEU HD11 H 1 1.144 . . 4 . . . . 91 LEU HD11 . 6882 1 728 . 1 1 61 61 LEU HD12 H 1 1.144 . . 4 . . . . 91 LEU HD11 . 6882 1 729 . 1 1 61 61 LEU HD13 H 1 1.144 . . 4 . . . . 91 LEU HD11 . 6882 1 730 . 1 1 61 61 LEU HD21 H 1 0.638 . . 4 . . . . 91 LEU HD21 . 6882 1 731 . 1 1 61 61 LEU HD22 H 1 0.638 . . 4 . . . . 91 LEU HD21 . 6882 1 732 . 1 1 61 61 LEU HD23 H 1 0.638 . . 4 . . . . 91 LEU HD21 . 6882 1 733 . 1 1 61 61 LEU C C 13 175.292 . . 1 . . . . 91 LEU C . 6882 1 734 . 1 1 61 61 LEU CA C 13 55.909 . . 1 . . . . 91 LEU CA . 6882 1 735 . 1 1 61 61 LEU CB C 13 43.742 . . 1 . . . . 91 LEU CB . 6882 1 736 . 1 1 61 61 LEU CG C 13 27.695 . . 1 . . . . 91 LEU CG . 6882 1 737 . 1 1 61 61 LEU CD1 C 13 26.109 . . 2 . . . . 91 LEU CD1 . 6882 1 738 . 1 1 61 61 LEU CD2 C 13 23.223 . . 2 . . . . 91 LEU CD2 . 6882 1 739 . 1 1 61 61 LEU N N 15 120.852 . . 1 . . . . 91 LEU N . 6882 1 740 . 1 1 62 62 LYS H H 1 7.248 . . 1 . . . . 92 LYS HN . 6882 1 741 . 1 1 62 62 LYS HA H 1 4.496 . . 1 . . . . 92 LYS HA . 6882 1 742 . 1 1 62 62 LYS HB2 H 1 1.675 . . 2 . . . . 92 LYS HB1 . 6882 1 743 . 1 1 62 62 LYS HB3 H 1 1.468 . . 2 . . . . 92 LYS HB2 . 6882 1 744 . 1 1 62 62 LYS HG2 H 1 1.465 . . 1 . . . . 92 LYS HG1 . 6882 1 745 . 1 1 62 62 LYS HG3 H 1 1.465 . . 1 . . . . 92 LYS HG2 . 6882 1 746 . 1 1 62 62 LYS C C 13 175.008 . . 1 . . . . 92 LYS C . 6882 1 747 . 1 1 62 62 LYS CA C 13 54.398 . . 1 . . . . 92 LYS CA . 6882 1 748 . 1 1 62 62 LYS CB C 13 35.366 . . 1 . . . . 92 LYS CB . 6882 1 749 . 1 1 62 62 LYS CG C 13 24.627 . . 1 . . . . 92 LYS CG . 6882 1 750 . 1 1 62 62 LYS CD C 13 29.346 . . 1 . . . . 92 LYS CD . 6882 1 751 . 1 1 62 62 LYS CE C 13 42.583 . . 1 . . . . 92 LYS CE . 6882 1 752 . 1 1 62 62 LYS N N 15 123.868 . . 1 . . . . 92 LYS N . 6882 1 753 . 1 1 63 63 CYS H H 1 9.116 . . 1 . . . . 93 CYS HN . 6882 1 754 . 1 1 63 63 CYS HA H 1 5.232 . . 1 . . . . 93 CYS HA . 6882 1 755 . 1 1 63 63 CYS HB2 H 1 2.743 . . 1 . . . . 93 CYS HB1 . 6882 1 756 . 1 1 63 63 CYS HB3 H 1 2.743 . . 1 . . . . 93 CYS HB2 . 6882 1 757 . 1 1 63 63 CYS C C 13 175.438 . . 1 . . . . 93 CYS C . 6882 1 758 . 1 1 63 63 CYS CA C 13 54.150 . . 1 . . . . 93 CYS CA . 6882 1 759 . 1 1 63 63 CYS CB C 13 40.571 . . 1 . . . . 93 CYS CB . 6882 1 760 . 1 1 63 63 CYS N N 15 125.515 . . 1 . . . . 93 CYS N . 6882 1 761 . 1 1 64 64 ILE H H 1 9.476 . . 1 . . . . 94 ILE HN . 6882 1 762 . 1 1 64 64 ILE HA H 1 4.866 . . 1 . . . . 94 ILE HA . 6882 1 763 . 1 1 64 64 ILE HB H 1 2.079 . . 1 . . . . 94 ILE HB . 6882 1 764 . 1 1 64 64 ILE HG12 H 1 1.345 . . 9 . . . . 94 ILE HG11 . 6882 1 765 . 1 1 64 64 ILE HG13 H 1 1.051 . . 9 . . . . 94 ILE HG12 . 6882 1 766 . 1 1 64 64 ILE HG21 H 1 0.943 . . 4 . . . . 94 ILE HG21 . 6882 1 767 . 1 1 64 64 ILE HG22 H 1 0.943 . . 4 . . . . 94 ILE HG21 . 6882 1 768 . 1 1 64 64 ILE HG23 H 1 0.943 . . 4 . . . . 94 ILE HG21 . 6882 1 769 . 1 1 64 64 ILE HD11 H 1 0.870 . . 1 . . . . 94 ILE HD11 . 6882 1 770 . 1 1 64 64 ILE HD12 H 1 0.870 . . 1 . . . . 94 ILE HD11 . 6882 1 771 . 1 1 64 64 ILE HD13 H 1 0.870 . . 1 . . . . 94 ILE HD11 . 6882 1 772 . 1 1 64 64 ILE C C 13 173.993 . . 1 . . . . 94 ILE C . 6882 1 773 . 1 1 64 64 ILE CA C 13 59.452 . . 1 . . . . 94 ILE CA . 6882 1 774 . 1 1 64 64 ILE CB C 13 41.286 . . 1 . . . . 94 ILE CB . 6882 1 775 . 1 1 64 64 ILE CG1 C 13 25.726 . . 2 . . . . 94 ILE CG1 . 6882 1 776 . 1 1 64 64 ILE CG2 C 13 18.505 . . 2 . . . . 94 ILE CG2 . 6882 1 777 . 1 1 64 64 ILE CD1 C 13 13.569 . . 1 . . . . 94 ILE CD1 . 6882 1 778 . 1 1 64 64 ILE N N 15 119.528 . . 1 . . . . 94 ILE N . 6882 1 779 . 1 1 65 65 ARG H H 1 8.663 . . 1 . . . . 95 ARG HN . 6882 1 780 . 1 1 65 65 ARG HA H 1 3.694 . . 1 . . . . 95 ARG HA . 6882 1 781 . 1 1 65 65 ARG HB2 H 1 1.546 . . 2 . . . . 95 ARG HB1 . 6882 1 782 . 1 1 65 65 ARG HB3 H 1 1.469 . . 2 . . . . 95 ARG HB2 . 6882 1 783 . 1 1 65 65 ARG HG2 H 1 1.302 . . 2 . . . . 95 ARG HG1 . 6882 1 784 . 1 1 65 65 ARG HG3 H 1 1.247 . . 2 . . . . 95 ARG HG2 . 6882 1 785 . 1 1 65 65 ARG HD2 H 1 2.730 . . 1 . . . . 95 ARG HD1 . 6882 1 786 . 1 1 65 65 ARG HD3 H 1 2.730 . . 1 . . . . 95 ARG HD2 . 6882 1 787 . 1 1 65 65 ARG C C 13 173.984 . . 1 . . . . 95 ARG C . 6882 1 788 . 1 1 65 65 ARG CA C 13 56.901 . . 1 . . . . 95 ARG CA . 6882 1 789 . 1 1 65 65 ARG CB C 13 29.984 . . 1 . . . . 95 ARG CB . 6882 1 790 . 1 1 65 65 ARG CG C 13 26.922 . . 1 . . . . 95 ARG CG . 6882 1 791 . 1 1 65 65 ARG CD C 13 42.886 . . 1 . . . . 95 ARG CD . 6882 1 792 . 1 1 65 65 ARG N N 15 123.814 . . 1 . . . . 95 ARG N . 6882 1 793 . 1 1 66 66 ASP H H 1 7.817 . . 1 . . . . 96 ASP HN . 6882 1 794 . 1 1 66 66 ASP HA H 1 4.240 . . 1 . . . . 96 ASP HA . 6882 1 795 . 1 1 66 66 ASP HB2 H 1 2.344 . . 2 . . . . 96 ASP HB1 . 6882 1 796 . 1 1 66 66 ASP HB3 H 1 2.185 . . 2 . . . . 96 ASP HB2 . 6882 1 797 . 1 1 66 66 ASP CA C 13 55.740 . . 1 . . . . 96 ASP CA . 6882 1 798 . 1 1 66 66 ASP CB C 13 42.473 . . 1 . . . . 96 ASP CB . 6882 1 799 . 1 1 66 66 ASP N N 15 128.348 . . 1 . . . . 96 ASP N . 6882 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 6 6882 1 1 7 6882 1 1 8 6882 1 2 95 6882 1 2 96 6882 1 2 97 6882 1 2 98 6882 1 2 99 6882 1 2 100 6882 1 3 150 6882 1 3 151 6882 1 3 152 6882 1 4 185 6882 1 4 186 6882 1 4 187 6882 1 4 188 6882 1 4 189 6882 1 4 190 6882 1 5 251 6882 1 5 252 6882 1 5 253 6882 1 6 347 6882 1 6 348 6882 1 6 349 6882 1 7 493 6882 1 7 494 6882 1 7 495 6882 1 7 496 6882 1 7 497 6882 1 7 498 6882 1 8 539 6882 1 8 540 6882 1 8 541 6882 1 8 542 6882 1 8 543 6882 1 8 544 6882 1 9 556 6882 1 9 557 6882 1 9 558 6882 1 10 633 6882 1 10 634 6882 1 10 635 6882 1 10 636 6882 1 10 637 6882 1 10 638 6882 1 11 727 6882 1 11 728 6882 1 11 729 6882 1 11 730 6882 1 11 731 6882 1 11 732 6882 1 12 766 6882 1 12 767 6882 1 12 768 6882 1 stop_ save_