data_18155 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18155 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the second immunoglobulin domain of the membrane receptor Neurolin from Carassius auratus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-20 _Entry.Accession_date 2011-12-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Heiko Moller . M. . 18155 2 Zarko Kulic . . . 18155 3 Guenter Fritz . . . 18155 4 Claudia Stuermer . A.O. . 18155 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Konstanz, Germany' . 18155 2 . 'Uniklinik Freiburg, Germany' . 18155 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18155 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 18155 '15N chemical shifts' 107 18155 '1H chemical shifts' 739 18155 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2011-12-20 update BMRB 'update entry citation' 18155 1 . . 2012-03-27 2011-12-20 original author 'original release' 18155 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18155 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22446848 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N resonance assignments of the second immunoglobulin domain of neurolin from Carassius auratus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 65 _Citation.Page_last 67 _Citation.Year 2013 _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 Zarko Kulic . . . 18155 1 2 Gunter Fritz . . . 18155 1 3 Heiko Moller . M. . 18155 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18155 _Assembly.ID 1 _Assembly.Name 'Neurolin Ig2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12198.7 _Assembly.Enzyme_commission_number . _Assembly.Details 'second immunoglobulin domain of the protein neurolin' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Neurolin Ig2' 1 $NIg2 A . yes native no no . . . 18155 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 single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 88 88 SG . . . . . . . . . . 18155 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein mediates axonal path finding of developing and regenerating axons of retinal ganglion cells in goldfish' 18155 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NIg2 _Entity.Sf_category entity _Entity.Sf_framecode NIg2 _Entity.Entry_ID 18155 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NIg2 _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 ; KPSAPVIKNNAKELENGKLT QLGECVVENANPPADLIWKK NNQTLVDDGKTIIITSTITK DKITGLSSTSSRLQYTARKE DVESQFTCTAKHVMGPDQVS EPESFPIHYPT ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12198.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 GB AAC38015 . "neurolin [Carassius auratus]" . . . . . 100.00 555 100.00 100.00 3.41e-70 . . . . 18155 1 2 no SP Q90304 . "RecName: Full=CD166 antigen homolog; AltName: Full=Activated leukocyte cell adhesion molecule; AltName: Full=DM-GRASP homolog; " . . . . . 100.00 555 100.00 100.00 3.41e-70 . . . . 18155 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'neuronal membrane receptor' 18155 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 . LYS . 18155 1 2 . PRO . 18155 1 3 . SER . 18155 1 4 . ALA . 18155 1 5 . PRO . 18155 1 6 . VAL . 18155 1 7 . ILE . 18155 1 8 . LYS . 18155 1 9 . ASN . 18155 1 10 . ASN . 18155 1 11 . ALA . 18155 1 12 . LYS . 18155 1 13 . GLU . 18155 1 14 . LEU . 18155 1 15 . GLU . 18155 1 16 . ASN . 18155 1 17 . GLY . 18155 1 18 . LYS . 18155 1 19 . LEU . 18155 1 20 . THR . 18155 1 21 . GLN . 18155 1 22 . LEU . 18155 1 23 . GLY . 18155 1 24 . GLU . 18155 1 25 . CYS . 18155 1 26 . VAL . 18155 1 27 . VAL . 18155 1 28 . GLU . 18155 1 29 . ASN . 18155 1 30 . ALA . 18155 1 31 . ASN . 18155 1 32 . PRO . 18155 1 33 . PRO . 18155 1 34 . ALA . 18155 1 35 . ASP . 18155 1 36 . LEU . 18155 1 37 . ILE . 18155 1 38 . TRP . 18155 1 39 . LYS . 18155 1 40 . LYS . 18155 1 41 . ASN . 18155 1 42 . ASN . 18155 1 43 . GLN . 18155 1 44 . THR . 18155 1 45 . LEU . 18155 1 46 . VAL . 18155 1 47 . ASP . 18155 1 48 . ASP . 18155 1 49 . GLY . 18155 1 50 . LYS . 18155 1 51 . THR . 18155 1 52 . ILE . 18155 1 53 . ILE . 18155 1 54 . ILE . 18155 1 55 . THR . 18155 1 56 . SER . 18155 1 57 . THR . 18155 1 58 . ILE . 18155 1 59 . THR . 18155 1 60 . LYS . 18155 1 61 . ASP . 18155 1 62 . LYS . 18155 1 63 . ILE . 18155 1 64 . THR . 18155 1 65 . GLY . 18155 1 66 . LEU . 18155 1 67 . SER . 18155 1 68 . SER . 18155 1 69 . THR . 18155 1 70 . SER . 18155 1 71 . SER . 18155 1 72 . ARG . 18155 1 73 . LEU . 18155 1 74 . GLN . 18155 1 75 . TYR . 18155 1 76 . THR . 18155 1 77 . ALA . 18155 1 78 . ARG . 18155 1 79 . LYS . 18155 1 80 . GLU . 18155 1 81 . ASP . 18155 1 82 . VAL . 18155 1 83 . GLU . 18155 1 84 . SER . 18155 1 85 . GLN . 18155 1 86 . PHE . 18155 1 87 . THR . 18155 1 88 . CYS . 18155 1 89 . THR . 18155 1 90 . ALA . 18155 1 91 . LYS . 18155 1 92 . HIS . 18155 1 93 . VAL . 18155 1 94 . MET . 18155 1 95 . GLY . 18155 1 96 . PRO . 18155 1 97 . ASP . 18155 1 98 . GLN . 18155 1 99 . VAL . 18155 1 100 . SER . 18155 1 101 . GLU . 18155 1 102 . PRO . 18155 1 103 . GLU . 18155 1 104 . SER . 18155 1 105 . PHE . 18155 1 106 . PRO . 18155 1 107 . ILE . 18155 1 108 . HIS . 18155 1 109 . TYR . 18155 1 110 . PRO . 18155 1 111 . THR . 18155 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 . LYS 1 1 18155 1 . PRO 2 2 18155 1 . SER 3 3 18155 1 . ALA 4 4 18155 1 . PRO 5 5 18155 1 . VAL 6 6 18155 1 . ILE 7 7 18155 1 . LYS 8 8 18155 1 . ASN 9 9 18155 1 . ASN 10 10 18155 1 . ALA 11 11 18155 1 . LYS 12 12 18155 1 . GLU 13 13 18155 1 . LEU 14 14 18155 1 . GLU 15 15 18155 1 . ASN 16 16 18155 1 . GLY 17 17 18155 1 . LYS 18 18 18155 1 . LEU 19 19 18155 1 . THR 20 20 18155 1 . GLN 21 21 18155 1 . LEU 22 22 18155 1 . GLY 23 23 18155 1 . GLU 24 24 18155 1 . CYS 25 25 18155 1 . VAL 26 26 18155 1 . VAL 27 27 18155 1 . GLU 28 28 18155 1 . ASN 29 29 18155 1 . ALA 30 30 18155 1 . ASN 31 31 18155 1 . PRO 32 32 18155 1 . PRO 33 33 18155 1 . ALA 34 34 18155 1 . ASP 35 35 18155 1 . LEU 36 36 18155 1 . ILE 37 37 18155 1 . TRP 38 38 18155 1 . LYS 39 39 18155 1 . LYS 40 40 18155 1 . ASN 41 41 18155 1 . ASN 42 42 18155 1 . GLN 43 43 18155 1 . THR 44 44 18155 1 . LEU 45 45 18155 1 . VAL 46 46 18155 1 . ASP 47 47 18155 1 . ASP 48 48 18155 1 . GLY 49 49 18155 1 . LYS 50 50 18155 1 . THR 51 51 18155 1 . ILE 52 52 18155 1 . ILE 53 53 18155 1 . ILE 54 54 18155 1 . THR 55 55 18155 1 . SER 56 56 18155 1 . THR 57 57 18155 1 . ILE 58 58 18155 1 . THR 59 59 18155 1 . LYS 60 60 18155 1 . ASP 61 61 18155 1 . LYS 62 62 18155 1 . ILE 63 63 18155 1 . THR 64 64 18155 1 . GLY 65 65 18155 1 . LEU 66 66 18155 1 . SER 67 67 18155 1 . SER 68 68 18155 1 . THR 69 69 18155 1 . SER 70 70 18155 1 . SER 71 71 18155 1 . ARG 72 72 18155 1 . LEU 73 73 18155 1 . GLN 74 74 18155 1 . TYR 75 75 18155 1 . THR 76 76 18155 1 . ALA 77 77 18155 1 . ARG 78 78 18155 1 . LYS 79 79 18155 1 . GLU 80 80 18155 1 . ASP 81 81 18155 1 . VAL 82 82 18155 1 . GLU 83 83 18155 1 . SER 84 84 18155 1 . GLN 85 85 18155 1 . PHE 86 86 18155 1 . THR 87 87 18155 1 . CYS 88 88 18155 1 . THR 89 89 18155 1 . ALA 90 90 18155 1 . LYS 91 91 18155 1 . HIS 92 92 18155 1 . VAL 93 93 18155 1 . MET 94 94 18155 1 . GLY 95 95 18155 1 . PRO 96 96 18155 1 . ASP 97 97 18155 1 . GLN 98 98 18155 1 . VAL 99 99 18155 1 . SER 100 100 18155 1 . GLU 101 101 18155 1 . PRO 102 102 18155 1 . GLU 103 103 18155 1 . SER 104 104 18155 1 . PHE 105 105 18155 1 . PRO 106 106 18155 1 . ILE 107 107 18155 1 . HIS 108 108 18155 1 . TYR 109 109 18155 1 . PRO 110 110 18155 1 . THR 111 111 18155 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 18155 _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 $NIg2 . 7957 organism . 'Carassius auratus' goldfish . . Eukaryota Metazoa Carassius auratus . . . . . . . . . . . . . . . . CD166 . . . . 18155 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 18155 _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 $NIg2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 '(DE3) Origami B' . . . . . . . . . . . . . . pET15b . . . . . . 18155 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18155 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 NIg2 '[U-99% 13C; U-99% 15N]' . . 1 $NIg2 . . 0.90 . . mM . . . . 18155 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18155 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18155 1 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 18155 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18155 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 NIg2 '[U-99% 13C; U-99% 15N]' . . 1 $NIg2 . . 0.65 . . mM . . . . 18155 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18155 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18155 2 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 18155 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18155 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 NIg2 '[U-99% 15N]' . . 1 $NIg2 . . 1.54 . . mM . . . . 18155 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18155 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18155 3 4 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 18155 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18155 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 18155 1 pressure 1 . atm 18155 1 temperature 302 0.5 K 18155 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18155 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18155 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18155 1 'data analysis' 18155 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18155 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18155 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18155 2 processing 18155 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18155 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI-H/C/N triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18155 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 'TCI-H/C/N triple resonance cryoprobe' . . 18155 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18155 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 5 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 6 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 8 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 9 '3D HNHB' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 10 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 11 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 12 '3D CC(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 13 '3D HCC(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 14 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 15 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 16 '3D (H)CCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 17 '2D (HB)CB(CGCDCE)HE' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 18 '2D (HB)CB(CGCD)HD' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 19 '2D (HB)CB(CGCD)H aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 20 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 21 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 22 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 23 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18155 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18155 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18155 _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 TSP protons . . . . ppm 0.000 internal indirect 0.25144954 . . . . . . . . . 18155 1 H 1 TSP protons . . . . ppm -0.015 internal direct 1 . . . . . . . . . 18155 1 N 15 TSP protons . . . . ppm 0.000 internal indirect 0.101329118 . . . . . . . . . 18155 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18155 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 22 '3D 1H-13C NOESY aromatic' . . . 18155 1 23 '3D 1H-13C NOESY aromatic' . . . 18155 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.704 0.020 . 1 . . . . 2 PRO HA . 18155 1 2 . 1 1 2 2 PRO HB2 H 1 1.922 0.020 . 1 . . . . 2 PRO HB2 . 18155 1 3 . 1 1 2 2 PRO HB3 H 1 1.922 0.020 . 1 . . . . 2 PRO HB3 . 18155 1 4 . 1 1 2 2 PRO HG2 H 1 1.651 0.020 . 2 . . . . 2 PRO HG2 . 18155 1 5 . 1 1 2 2 PRO HG3 H 1 1.731 0.020 . 2 . . . . 2 PRO HG3 . 18155 1 6 . 1 1 2 2 PRO HD2 H 1 3.654 0.020 . 2 . . . . 2 PRO HD2 . 18155 1 7 . 1 1 2 2 PRO HD3 H 1 3.482 0.020 . 2 . . . . 2 PRO HD3 . 18155 1 8 . 1 1 2 2 PRO C C 13 176.696 0.3 . 1 . . . . 2 PRO C . 18155 1 9 . 1 1 2 2 PRO CA C 13 62.220 0.3 . 1 . . . . 2 PRO CA . 18155 1 10 . 1 1 2 2 PRO CB C 13 31.904 0.3 . 1 . . . . 2 PRO CB . 18155 1 11 . 1 1 2 2 PRO CG C 13 26.539 0.3 . 1 . . . . 2 PRO CG . 18155 1 12 . 1 1 2 2 PRO CD C 13 50.362 0.3 . 1 . . . . 2 PRO CD . 18155 1 13 . 1 1 3 3 SER H H 1 8.692 0.020 . 1 . . . . 3 SER H . 18155 1 14 . 1 1 3 3 SER HA H 1 4.384 0.020 . 1 . . . . 3 SER HA . 18155 1 15 . 1 1 3 3 SER HB2 H 1 3.948 0.020 . 2 . . . . 3 SER HB2 . 18155 1 16 . 1 1 3 3 SER HB3 H 1 4.179 0.020 . 2 . . . . 3 SER HB3 . 18155 1 17 . 1 1 3 3 SER C C 13 172.680 0.3 . 1 . . . . 3 SER C . 18155 1 18 . 1 1 3 3 SER CA C 13 57.786 0.3 . 1 . . . . 3 SER CA . 18155 1 19 . 1 1 3 3 SER CB C 13 64.176 0.3 . 1 . . . . 3 SER CB . 18155 1 20 . 1 1 3 3 SER N N 15 118.407 0.3 . 1 . . . . 3 SER N . 18155 1 21 . 1 1 4 4 ALA H H 1 8.267 0.020 . 1 . . . . 4 ALA H . 18155 1 22 . 1 1 4 4 ALA HA H 1 4.399 0.020 . 1 . . . . 4 ALA HA . 18155 1 23 . 1 1 4 4 ALA HB1 H 1 1.360 0.020 . 1 . . . . 4 ALA HB . 18155 1 24 . 1 1 4 4 ALA HB2 H 1 1.360 0.020 . 1 . . . . 4 ALA HB . 18155 1 25 . 1 1 4 4 ALA HB3 H 1 1.360 0.020 . 1 . . . . 4 ALA HB . 18155 1 26 . 1 1 4 4 ALA C C 13 175.600 0.3 . 1 . . . . 4 ALA C . 18155 1 27 . 1 1 4 4 ALA CA C 13 50.216 0.3 . 1 . . . . 4 ALA CA . 18155 1 28 . 1 1 4 4 ALA CB C 13 17.051 0.3 . 1 . . . . 4 ALA CB . 18155 1 29 . 1 1 4 4 ALA N N 15 123.617 0.3 . 1 . . . . 4 ALA N . 18155 1 30 . 1 1 5 5 PRO HA H 1 4.526 0.020 . 1 . . . . 5 PRO HA . 18155 1 31 . 1 1 5 5 PRO HB2 H 1 1.534 0.020 . 1 . . . . 5 PRO HB2 . 18155 1 32 . 1 1 5 5 PRO HB3 H 1 1.534 0.020 . 1 . . . . 5 PRO HB3 . 18155 1 33 . 1 1 5 5 PRO HG2 H 1 1.908 0.020 . 1 . . . . 5 PRO HG2 . 18155 1 34 . 1 1 5 5 PRO HG3 H 1 1.908 0.020 . 1 . . . . 5 PRO HG3 . 18155 1 35 . 1 1 5 5 PRO HD2 H 1 3.495 0.020 . 1 . . . . 5 PRO HD2 . 18155 1 36 . 1 1 5 5 PRO HD3 H 1 3.495 0.020 . 1 . . . . 5 PRO HD3 . 18155 1 37 . 1 1 5 5 PRO C C 13 175.256 0.3 . 1 . . . . 5 PRO C . 18155 1 38 . 1 1 5 5 PRO CA C 13 62.526 0.3 . 1 . . . . 5 PRO CA . 18155 1 39 . 1 1 5 5 PRO CB C 13 32.271 0.3 . 1 . . . . 5 PRO CB . 18155 1 40 . 1 1 5 5 PRO CG C 13 27.277 0.3 . 1 . . . . 5 PRO CG . 18155 1 41 . 1 1 5 5 PRO CD C 13 50.053 0.3 . 1 . . . . 5 PRO CD . 18155 1 42 . 1 1 6 6 VAL H H 1 7.794 0.020 . 1 . . . . 6 VAL H . 18155 1 43 . 1 1 6 6 VAL HA H 1 4.545 0.020 . 1 . . . . 6 VAL HA . 18155 1 44 . 1 1 6 6 VAL HB H 1 1.966 0.020 . 1 . . . . 6 VAL HB . 18155 1 45 . 1 1 6 6 VAL HG11 H 1 0.934 0.020 . 1 . . . . 6 VAL HG1 . 18155 1 46 . 1 1 6 6 VAL HG12 H 1 0.934 0.020 . 1 . . . . 6 VAL HG1 . 18155 1 47 . 1 1 6 6 VAL HG13 H 1 0.934 0.020 . 1 . . . . 6 VAL HG1 . 18155 1 48 . 1 1 6 6 VAL HG21 H 1 0.934 0.020 . 1 . . . . 6 VAL HG2 . 18155 1 49 . 1 1 6 6 VAL HG22 H 1 0.934 0.020 . 1 . . . . 6 VAL HG2 . 18155 1 50 . 1 1 6 6 VAL HG23 H 1 0.934 0.020 . 1 . . . . 6 VAL HG2 . 18155 1 51 . 1 1 6 6 VAL C C 13 173.938 0.3 . 1 . . . . 6 VAL C . 18155 1 52 . 1 1 6 6 VAL CA C 13 59.400 0.3 . 1 . . . . 6 VAL CA . 18155 1 53 . 1 1 6 6 VAL CB C 13 35.799 0.3 . 1 . . . . 6 VAL CB . 18155 1 54 . 1 1 6 6 VAL CG1 C 13 20.250 0.3 . 1 . . . . 6 VAL CG1 . 18155 1 55 . 1 1 6 6 VAL CG2 C 13 21.055 0.3 . 1 . . . . 6 VAL CG2 . 18155 1 56 . 1 1 6 6 VAL N N 15 118.296 0.3 . 1 . . . . 6 VAL N . 18155 1 57 . 1 1 7 7 ILE H H 1 8.742 0.020 . 1 . . . . 7 ILE H . 18155 1 58 . 1 1 7 7 ILE HA H 1 4.671 0.020 . 1 . . . . 7 ILE HA . 18155 1 59 . 1 1 7 7 ILE HB H 1 1.939 0.020 . 1 . . . . 7 ILE HB . 18155 1 60 . 1 1 7 7 ILE HG21 H 1 1.013 0.020 . 1 . . . . 7 ILE HG2 . 18155 1 61 . 1 1 7 7 ILE HG22 H 1 1.013 0.020 . 1 . . . . 7 ILE HG2 . 18155 1 62 . 1 1 7 7 ILE HG23 H 1 1.013 0.020 . 1 . . . . 7 ILE HG2 . 18155 1 63 . 1 1 7 7 ILE HD11 H 1 0.965 0.020 . 1 . . . . 7 ILE HD1 . 18155 1 64 . 1 1 7 7 ILE HD12 H 1 0.965 0.020 . 1 . . . . 7 ILE HD1 . 18155 1 65 . 1 1 7 7 ILE HD13 H 1 0.965 0.020 . 1 . . . . 7 ILE HD1 . 18155 1 66 . 1 1 7 7 ILE C C 13 175.012 0.3 . 1 . . . . 7 ILE C . 18155 1 67 . 1 1 7 7 ILE CA C 13 61.012 0.3 . 1 . . . . 7 ILE CA . 18155 1 68 . 1 1 7 7 ILE CB C 13 37.562 0.3 . 1 . . . . 7 ILE CB . 18155 1 69 . 1 1 7 7 ILE CG2 C 13 17.078 0.3 . 1 . . . . 7 ILE CG2 . 18155 1 70 . 1 1 7 7 ILE CD1 C 13 13.749 0.3 . 1 . . . . 7 ILE CD1 . 18155 1 71 . 1 1 7 7 ILE N N 15 124.229 0.3 . 1 . . . . 7 ILE N . 18155 1 72 . 1 1 8 8 LYS H H 1 9.577 0.020 . 1 . . . . 8 LYS H . 18155 1 73 . 1 1 8 8 LYS HA H 1 4.872 0.020 . 1 . . . . 8 LYS HA . 18155 1 74 . 1 1 8 8 LYS HB2 H 1 1.816 0.020 . 1 . . . . 8 LYS HB2 . 18155 1 75 . 1 1 8 8 LYS HB3 H 1 1.816 0.020 . 1 . . . . 8 LYS HB3 . 18155 1 76 . 1 1 8 8 LYS HE2 H 1 2.812 0.020 . 1 . . . . 8 LYS HE2 . 18155 1 77 . 1 1 8 8 LYS HE3 H 1 2.812 0.020 . 1 . . . . 8 LYS HE3 . 18155 1 78 . 1 1 8 8 LYS CA C 13 53.944 0.3 . 1 . . . . 8 LYS CA . 18155 1 79 . 1 1 8 8 LYS CB C 13 35.081 0.3 . 1 . . . . 8 LYS CB . 18155 1 80 . 1 1 8 8 LYS CE C 13 41.544 0.3 . 1 . . . . 8 LYS CE . 18155 1 81 . 1 1 8 8 LYS N N 15 127.300 0.3 . 1 . . . . 8 LYS N . 18155 1 82 . 1 1 10 10 ASN HA H 1 4.547 0.020 . 9 . . . . 10 ASN HA . 18155 1 83 . 1 1 10 10 ASN HB2 H 1 2.727 0.020 . 1 . . . . 10 ASN HB2 . 18155 1 84 . 1 1 10 10 ASN HB3 H 1 2.727 0.020 . 1 . . . . 10 ASN HB3 . 18155 1 85 . 1 1 10 10 ASN C C 13 175.803 0.3 . 1 . . . . 10 ASN C . 18155 1 86 . 1 1 10 10 ASN CA C 13 53.982 0.3 . 1 . . . . 10 ASN CA . 18155 1 87 . 1 1 10 10 ASN CB C 13 41.175 0.3 . 1 . . . . 10 ASN CB . 18155 1 88 . 1 1 11 11 ALA H H 1 8.353 0.020 . 1 . . . . 11 ALA H . 18155 1 89 . 1 1 11 11 ALA HA H 1 4.294 0.020 . 1 . . . . 11 ALA HA . 18155 1 90 . 1 1 11 11 ALA HB1 H 1 1.403 0.020 . 1 . . . . 11 ALA HB . 18155 1 91 . 1 1 11 11 ALA HB2 H 1 1.403 0.020 . 1 . . . . 11 ALA HB . 18155 1 92 . 1 1 11 11 ALA HB3 H 1 1.403 0.020 . 1 . . . . 11 ALA HB . 18155 1 93 . 1 1 11 11 ALA C C 13 176.979 0.3 . 1 . . . . 11 ALA C . 18155 1 94 . 1 1 11 11 ALA CA C 13 52.280 0.3 . 1 . . . . 11 ALA CA . 18155 1 95 . 1 1 11 11 ALA CB C 13 18.969 0.3 . 1 . . . . 11 ALA CB . 18155 1 96 . 1 1 11 11 ALA N N 15 122.171 0.3 . 1 . . . . 11 ALA N . 18155 1 97 . 1 1 12 12 LYS H H 1 8.764 0.020 . 1 . . . . 12 LYS H . 18155 1 98 . 1 1 12 12 LYS HA H 1 4.277 0.020 . 1 . . . . 12 LYS HA . 18155 1 99 . 1 1 12 12 LYS HB2 H 1 1.880 0.020 . 1 . . . . 12 LYS HB2 . 18155 1 100 . 1 1 12 12 LYS HB3 H 1 1.880 0.020 . 1 . . . . 12 LYS HB3 . 18155 1 101 . 1 1 12 12 LYS HG2 H 1 1.552 0.020 . 1 . . . . 12 LYS HG2 . 18155 1 102 . 1 1 12 12 LYS HG3 H 1 1.552 0.020 . 1 . . . . 12 LYS HG3 . 18155 1 103 . 1 1 12 12 LYS HD2 H 1 1.703 0.020 . 1 . . . . 12 LYS HD2 . 18155 1 104 . 1 1 12 12 LYS HD3 H 1 1.703 0.020 . 1 . . . . 12 LYS HD3 . 18155 1 105 . 1 1 12 12 LYS HE2 H 1 3.005 0.020 . 1 . . . . 12 LYS HE2 . 18155 1 106 . 1 1 12 12 LYS HE3 H 1 3.005 0.020 . 1 . . . . 12 LYS HE3 . 18155 1 107 . 1 1 12 12 LYS C C 13 176.635 0.3 . 1 . . . . 12 LYS C . 18155 1 108 . 1 1 12 12 LYS CA C 13 57.525 0.3 . 1 . . . . 12 LYS CA . 18155 1 109 . 1 1 12 12 LYS CB C 13 32.434 0.3 . 1 . . . . 12 LYS CB . 18155 1 110 . 1 1 12 12 LYS CG C 13 24.967 0.3 . 1 . . . . 12 LYS CG . 18155 1 111 . 1 1 12 12 LYS CD C 13 28.662 0.3 . 1 . . . . 12 LYS CD . 18155 1 112 . 1 1 12 12 LYS CE C 13 41.813 0.3 . 1 . . . . 12 LYS CE . 18155 1 113 . 1 1 12 12 LYS N N 15 119.742 0.3 . 1 . . . . 12 LYS N . 18155 1 114 . 1 1 13 13 GLU H H 1 7.434 0.020 . 1 . . . . 13 GLU H . 18155 1 115 . 1 1 13 13 GLU HA H 1 4.761 0.020 . 1 . . . . 13 GLU HA . 18155 1 116 . 1 1 13 13 GLU HB2 H 1 1.712 0.020 . 2 . . . . 13 GLU HB2 . 18155 1 117 . 1 1 13 13 GLU HB3 H 1 2.125 0.020 . 2 . . . . 13 GLU HB3 . 18155 1 118 . 1 1 13 13 GLU HG2 H 1 1.992 0.020 . 1 . . . . 13 GLU HG2 . 18155 1 119 . 1 1 13 13 GLU HG3 H 1 1.992 0.020 . 1 . . . . 13 GLU HG3 . 18155 1 120 . 1 1 13 13 GLU C C 13 174.445 0.3 . 1 . . . . 13 GLU C . 18155 1 121 . 1 1 13 13 GLU CA C 13 54.320 0.3 . 1 . . . . 13 GLU CA . 18155 1 122 . 1 1 13 13 GLU CB C 13 31.605 0.3 . 1 . . . . 13 GLU CB . 18155 1 123 . 1 1 13 13 GLU CG C 13 33.946 0.3 . 1 . . . . 13 GLU CG . 18155 1 124 . 1 1 13 13 GLU N N 15 110.427 0.3 . 1 . . . . 13 GLU N . 18155 1 125 . 1 1 14 14 LEU H H 1 8.689 0.020 . 1 . . . . 14 LEU H . 18155 1 126 . 1 1 14 14 LEU HA H 1 4.586 0.020 . 1 . . . . 14 LEU HA . 18155 1 127 . 1 1 14 14 LEU HB2 H 1 1.613 0.020 . 1 . . . . 14 LEU HB2 . 18155 1 128 . 1 1 14 14 LEU HB3 H 1 1.613 0.020 . 1 . . . . 14 LEU HB3 . 18155 1 129 . 1 1 14 14 LEU HG H 1 1.252 0.020 . 1 . . . . 14 LEU HG . 18155 1 130 . 1 1 14 14 LEU HD11 H 1 0.180 0.020 . 1 . . . . 14 LEU HD1 . 18155 1 131 . 1 1 14 14 LEU HD12 H 1 0.180 0.020 . 1 . . . . 14 LEU HD1 . 18155 1 132 . 1 1 14 14 LEU HD13 H 1 0.180 0.020 . 1 . . . . 14 LEU HD1 . 18155 1 133 . 1 1 14 14 LEU HD21 H 1 0.573 0.020 . 1 . . . . 14 LEU HD2 . 18155 1 134 . 1 1 14 14 LEU HD22 H 1 0.573 0.020 . 1 . . . . 14 LEU HD2 . 18155 1 135 . 1 1 14 14 LEU HD23 H 1 0.573 0.020 . 1 . . . . 14 LEU HD2 . 18155 1 136 . 1 1 14 14 LEU C C 13 175.235 0.3 . 1 . . . . 14 LEU C . 18155 1 137 . 1 1 14 14 LEU CA C 13 53.113 0.3 . 1 . . . . 14 LEU CA . 18155 1 138 . 1 1 14 14 LEU CB C 13 41.987 0.3 . 1 . . . . 14 LEU CB . 18155 1 139 . 1 1 14 14 LEU CG C 13 26.386 0.3 . 1 . . . . 14 LEU CG . 18155 1 140 . 1 1 14 14 LEU CD1 C 13 21.173 0.3 . 1 . . . . 14 LEU CD1 . 18155 1 141 . 1 1 14 14 LEU CD2 C 13 25.115 0.3 . 1 . . . . 14 LEU CD2 . 18155 1 142 . 1 1 14 14 LEU N N 15 119.649 0.3 . 1 . . . . 14 LEU N . 18155 1 143 . 1 1 15 15 GLU H H 1 7.612 0.020 . 1 . . . . 15 GLU H . 18155 1 144 . 1 1 15 15 GLU HA H 1 4.736 0.020 . 1 . . . . 15 GLU HA . 18155 1 145 . 1 1 15 15 GLU HB2 H 1 1.796 0.020 . 1 . . . . 15 GLU HB2 . 18155 1 146 . 1 1 15 15 GLU HB3 H 1 1.796 0.020 . 1 . . . . 15 GLU HB3 . 18155 1 147 . 1 1 15 15 GLU HG2 H 1 2.129 0.020 . 1 . . . . 15 GLU HG2 . 18155 1 148 . 1 1 15 15 GLU HG3 H 1 2.129 0.020 . 1 . . . . 15 GLU HG3 . 18155 1 149 . 1 1 15 15 GLU C C 13 176.026 0.3 . 1 . . . . 15 GLU C . 18155 1 150 . 1 1 15 15 GLU CA C 13 55.278 0.3 . 1 . . . . 15 GLU CA . 18155 1 151 . 1 1 15 15 GLU CB C 13 30.955 0.3 . 1 . . . . 15 GLU CB . 18155 1 152 . 1 1 15 15 GLU CG C 13 35.829 0.3 . 1 . . . . 15 GLU CG . 18155 1 153 . 1 1 15 15 GLU N N 15 121.605 0.3 . 1 . . . . 15 GLU N . 18155 1 154 . 1 1 16 16 ASN H H 1 8.713 0.020 . 1 . . . . 16 ASN H . 18155 1 155 . 1 1 16 16 ASN HA H 1 3.997 0.020 . 1 . . . . 16 ASN HA . 18155 1 156 . 1 1 16 16 ASN HB2 H 1 2.066 0.020 . 2 . . . . 16 ASN HB2 . 18155 1 157 . 1 1 16 16 ASN HB3 H 1 2.562 0.020 . 2 . . . . 16 ASN HB3 . 18155 1 158 . 1 1 16 16 ASN HD21 H 1 7.267 0.020 . 1 . . . . 16 ASN HD21 . 18155 1 159 . 1 1 16 16 ASN HD22 H 1 6.736 0.020 . 1 . . . . 16 ASN HD22 . 18155 1 160 . 1 1 16 16 ASN C C 13 176.189 0.3 . 1 . . . . 16 ASN C . 18155 1 161 . 1 1 16 16 ASN CA C 13 55.115 0.3 . 1 . . . . 16 ASN CA . 18155 1 162 . 1 1 16 16 ASN CB C 13 39.685 0.3 . 1 . . . . 16 ASN CB . 18155 1 163 . 1 1 16 16 ASN CG C 13 173.836 0.3 . 1 . . . . 16 ASN CG . 18155 1 164 . 1 1 16 16 ASN N N 15 124.822 0.3 . 1 . . . . 16 ASN N . 18155 1 165 . 1 1 16 16 ASN ND2 N 15 111.461 0.3 . 1 . . . . 16 ASN ND2 . 18155 1 166 . 1 1 17 17 GLY H H 1 8.920 0.020 . 1 . . . . 17 GLY H . 18155 1 167 . 1 1 17 17 GLY HA2 H 1 4.019 0.020 . 2 . . . . 17 GLY HA2 . 18155 1 168 . 1 1 17 17 GLY HA3 H 1 3.542 0.020 . 2 . . . . 17 GLY HA3 . 18155 1 169 . 1 1 17 17 GLY C C 13 172.843 0.3 . 1 . . . . 17 GLY C . 18155 1 170 . 1 1 17 17 GLY CA C 13 46.103 0.3 . 1 . . . . 17 GLY CA . 18155 1 171 . 1 1 17 17 GLY N N 15 113.336 0.3 . 1 . . . . 17 GLY N . 18155 1 172 . 1 1 18 18 LYS H H 1 7.727 0.020 . 1 . . . . 18 LYS H . 18155 1 173 . 1 1 18 18 LYS HA H 1 4.646 0.020 . 1 . . . . 18 LYS HA . 18155 1 174 . 1 1 18 18 LYS HB2 H 1 1.470 0.020 . 2 . . . . 18 LYS HB2 . 18155 1 175 . 1 1 18 18 LYS HB3 H 1 1.626 0.020 . 2 . . . . 18 LYS HB3 . 18155 1 176 . 1 1 18 18 LYS HG2 H 1 1.254 0.020 . 2 . . . . 18 LYS HG2 . 18155 1 177 . 1 1 18 18 LYS HG3 H 1 1.333 0.020 . 2 . . . . 18 LYS HG3 . 18155 1 178 . 1 1 18 18 LYS HD2 H 1 1.615 0.020 . 1 . . . . 18 LYS HD2 . 18155 1 179 . 1 1 18 18 LYS HD3 H 1 1.615 0.020 . 1 . . . . 18 LYS HD3 . 18155 1 180 . 1 1 18 18 LYS HE2 H 1 2.949 0.020 . 1 . . . . 18 LYS HE2 . 18155 1 181 . 1 1 18 18 LYS HE3 H 1 2.949 0.020 . 1 . . . . 18 LYS HE3 . 18155 1 182 . 1 1 18 18 LYS C C 13 174.343 0.3 . 1 . . . . 18 LYS C . 18155 1 183 . 1 1 18 18 LYS CA C 13 53.776 0.3 . 1 . . . . 18 LYS CA . 18155 1 184 . 1 1 18 18 LYS CB C 13 35.408 0.3 . 1 . . . . 18 LYS CB . 18155 1 185 . 1 1 18 18 LYS CG C 13 24.197 0.3 . 1 . . . . 18 LYS CG . 18155 1 186 . 1 1 18 18 LYS CD C 13 28.619 0.3 . 1 . . . . 18 LYS CD . 18155 1 187 . 1 1 18 18 LYS CE C 13 41.941 0.3 . 1 . . . . 18 LYS CE . 18155 1 188 . 1 1 18 18 LYS N N 15 120.372 0.3 . 1 . . . . 18 LYS N . 18155 1 189 . 1 1 19 19 LEU H H 1 8.458 0.020 . 1 . . . . 19 LEU H . 18155 1 190 . 1 1 19 19 LEU HA H 1 3.867 0.020 . 1 . . . . 19 LEU HA . 18155 1 191 . 1 1 19 19 LEU HB2 H 1 1.316 0.020 . 2 . . . . 19 LEU HB2 . 18155 1 192 . 1 1 19 19 LEU HB3 H 1 1.585 0.020 . 2 . . . . 19 LEU HB3 . 18155 1 193 . 1 1 19 19 LEU HG H 1 1.122 0.020 . 1 . . . . 19 LEU HG . 18155 1 194 . 1 1 19 19 LEU HD11 H 1 0.444 0.020 . 1 . . . . 19 LEU HD1 . 18155 1 195 . 1 1 19 19 LEU HD12 H 1 0.444 0.020 . 1 . . . . 19 LEU HD1 . 18155 1 196 . 1 1 19 19 LEU HD13 H 1 0.444 0.020 . 1 . . . . 19 LEU HD1 . 18155 1 197 . 1 1 19 19 LEU HD21 H 1 0.608 0.020 . 1 . . . . 19 LEU HD2 . 18155 1 198 . 1 1 19 19 LEU HD22 H 1 0.608 0.020 . 1 . . . . 19 LEU HD2 . 18155 1 199 . 1 1 19 19 LEU HD23 H 1 0.608 0.020 . 1 . . . . 19 LEU HD2 . 18155 1 200 . 1 1 19 19 LEU C C 13 176.655 0.3 . 1 . . . . 19 LEU C . 18155 1 201 . 1 1 19 19 LEU CA C 13 56.277 0.3 . 1 . . . . 19 LEU CA . 18155 1 202 . 1 1 19 19 LEU CB C 13 42.340 0.3 . 1 . . . . 19 LEU CB . 18155 1 203 . 1 1 19 19 LEU CG C 13 26.571 0.3 . 1 . . . . 19 LEU CG . 18155 1 204 . 1 1 19 19 LEU CD1 C 13 24.364 0.3 . 1 . . . . 19 LEU CD1 . 18155 1 205 . 1 1 19 19 LEU CD2 C 13 25.920 0.3 . 1 . . . . 19 LEU CD2 . 18155 1 206 . 1 1 19 19 LEU N N 15 128.122 0.3 . 1 . . . . 19 LEU N . 18155 1 207 . 1 1 20 20 THR H H 1 8.374 0.020 . 1 . . . . 20 THR H . 18155 1 208 . 1 1 20 20 THR HA H 1 4.532 0.020 . 1 . . . . 20 THR HA . 18155 1 209 . 1 1 20 20 THR HB H 1 3.905 0.020 . 1 . . . . 20 THR HB . 18155 1 210 . 1 1 20 20 THR HG21 H 1 1.221 0.020 . 1 . . . . 20 THR HG2 . 18155 1 211 . 1 1 20 20 THR HG22 H 1 1.221 0.020 . 1 . . . . 20 THR HG2 . 18155 1 212 . 1 1 20 20 THR HG23 H 1 1.221 0.020 . 1 . . . . 20 THR HG2 . 18155 1 213 . 1 1 20 20 THR C C 13 173.066 0.3 . 1 . . . . 20 THR C . 18155 1 214 . 1 1 20 20 THR CA C 13 61.822 0.3 . 1 . . . . 20 THR CA . 18155 1 215 . 1 1 20 20 THR CB C 13 72.154 0.3 . 1 . . . . 20 THR CB . 18155 1 216 . 1 1 20 20 THR CG2 C 13 21.180 0.3 . 1 . . . . 20 THR CG2 . 18155 1 217 . 1 1 20 20 THR N N 15 124.210 0.3 . 1 . . . . 20 THR N . 18155 1 218 . 1 1 21 21 GLN H H 1 8.967 0.020 . 1 . . . . 21 GLN H . 18155 1 219 . 1 1 21 21 GLN HA H 1 4.193 0.020 . 1 . . . . 21 GLN HA . 18155 1 220 . 1 1 21 21 GLN HB2 H 1 2.022 0.020 . 4 . . . . 21 GLN HB2 . 18155 1 221 . 1 1 21 21 GLN HB3 H 1 2.022 0.020 . 4 . . . . 21 GLN HB3 . 18155 1 222 . 1 1 21 21 GLN HG2 H 1 2.022 0.020 . 4 . . . . 21 GLN HG2 . 18155 1 223 . 1 1 21 21 GLN HG3 H 1 2.022 0.020 . 4 . . . . 21 GLN HG3 . 18155 1 224 . 1 1 21 21 GLN HE21 H 1 7.488 0.020 . 1 . . . . 21 GLN HE21 . 18155 1 225 . 1 1 21 21 GLN HE22 H 1 6.833 0.020 . 1 . . . . 21 GLN HE22 . 18155 1 226 . 1 1 21 21 GLN C C 13 172.985 0.3 . 1 . . . . 21 GLN C . 18155 1 227 . 1 1 21 21 GLN CA C 13 56.677 0.3 . 1 . . . . 21 GLN CA . 18155 1 228 . 1 1 21 21 GLN CB C 13 27.610 0.3 . 1 . . . . 21 GLN CB . 18155 1 229 . 1 1 21 21 GLN CG C 13 33.877 0.3 . 1 . . . . 21 GLN CG . 18155 1 230 . 1 1 21 21 GLN CD C 13 179.109 0.3 . 1 . . . . 21 GLN CD . 18155 1 231 . 1 1 21 21 GLN N N 15 126.013 0.3 . 1 . . . . 21 GLN N . 18155 1 232 . 1 1 21 21 GLN NE2 N 15 111.051 0.3 . 1 . . . . 21 GLN NE2 . 18155 1 233 . 1 1 22 22 LEU H H 1 8.617 0.020 . 1 . . . . 22 LEU H . 18155 1 234 . 1 1 22 22 LEU HA H 1 3.520 0.020 . 1 . . . . 22 LEU HA . 18155 1 235 . 1 1 22 22 LEU HB2 H 1 0.893 0.020 . 1 . . . . 22 LEU HB2 . 18155 1 236 . 1 1 22 22 LEU HB3 H 1 0.893 0.020 . 1 . . . . 22 LEU HB3 . 18155 1 237 . 1 1 22 22 LEU HG H 1 -0.784 0.020 . 1 . . . . 22 LEU HG . 18155 1 238 . 1 1 22 22 LEU HD11 H 1 0.168 0.020 . 1 . . . . 22 LEU HD1 . 18155 1 239 . 1 1 22 22 LEU HD12 H 1 0.168 0.020 . 1 . . . . 22 LEU HD1 . 18155 1 240 . 1 1 22 22 LEU HD13 H 1 0.168 0.020 . 1 . . . . 22 LEU HD1 . 18155 1 241 . 1 1 22 22 LEU HD21 H 1 0.437 0.020 . 1 . . . . 22 LEU HD2 . 18155 1 242 . 1 1 22 22 LEU HD22 H 1 0.437 0.020 . 1 . . . . 22 LEU HD2 . 18155 1 243 . 1 1 22 22 LEU HD23 H 1 0.437 0.020 . 1 . . . . 22 LEU HD2 . 18155 1 244 . 1 1 22 22 LEU C C 13 175.519 0.3 . 1 . . . . 22 LEU C . 18155 1 245 . 1 1 22 22 LEU CA C 13 58.434 0.3 . 1 . . . . 22 LEU CA . 18155 1 246 . 1 1 22 22 LEU CB C 13 43.617 0.3 . 1 . . . . 22 LEU CB . 18155 1 247 . 1 1 22 22 LEU CG C 13 25.868 0.3 . 1 . . . . 22 LEU CG . 18155 1 248 . 1 1 22 22 LEU CD1 C 13 23.684 0.3 . 1 . . . . 22 LEU CD1 . 18155 1 249 . 1 1 22 22 LEU CD2 C 13 26.234 0.3 . 1 . . . . 22 LEU CD2 . 18155 1 250 . 1 1 22 22 LEU N N 15 134.694 0.3 . 1 . . . . 22 LEU N . 18155 1 251 . 1 1 23 23 GLY H H 1 6.907 0.020 . 1 . . . . 23 GLY H . 18155 1 252 . 1 1 23 23 GLY HA2 H 1 4.118 0.020 . 2 . . . . 23 GLY HA2 . 18155 1 253 . 1 1 23 23 GLY HA3 H 1 3.829 0.020 . 2 . . . . 23 GLY HA3 . 18155 1 254 . 1 1 23 23 GLY C C 13 169.476 0.3 . 1 . . . . 23 GLY C . 18155 1 255 . 1 1 23 23 GLY CA C 13 44.726 0.3 . 1 . . . . 23 GLY CA . 18155 1 256 . 1 1 23 23 GLY N N 15 99.767 0.3 . 1 . . . . 23 GLY N . 18155 1 257 . 1 1 24 24 GLU H H 1 8.872 0.020 . 1 . . . . 24 GLU H . 18155 1 258 . 1 1 24 24 GLU HA H 1 5.502 0.020 . 1 . . . . 24 GLU HA . 18155 1 259 . 1 1 24 24 GLU HB2 H 1 1.773 0.020 . 2 . . . . 24 GLU HB2 . 18155 1 260 . 1 1 24 24 GLU HB3 H 1 1.894 0.020 . 2 . . . . 24 GLU HB3 . 18155 1 261 . 1 1 24 24 GLU HG2 H 1 1.969 0.020 . 1 . . . . 24 GLU HG2 . 18155 1 262 . 1 1 24 24 GLU HG3 H 1 1.969 0.020 . 1 . . . . 24 GLU HG3 . 18155 1 263 . 1 1 24 24 GLU C C 13 173.633 0.3 . 1 . . . . 24 GLU C . 18155 1 264 . 1 1 24 24 GLU CA C 13 53.852 0.3 . 1 . . . . 24 GLU CA . 18155 1 265 . 1 1 24 24 GLU CB C 13 32.895 0.3 . 1 . . . . 24 GLU CB . 18155 1 266 . 1 1 24 24 GLU CG C 13 35.920 0.3 . 1 . . . . 24 GLU CG . 18155 1 267 . 1 1 24 24 GLU N N 15 119.854 0.3 . 1 . . . . 24 GLU N . 18155 1 268 . 1 1 25 25 CYS H H 1 9.741 0.020 . 1 . . . . 25 CYS H . 18155 1 269 . 1 1 25 25 CYS HA H 1 5.606 0.020 . 1 . . . . 25 CYS HA . 18155 1 270 . 1 1 25 25 CYS HB2 H 1 2.542 0.020 . 1 . . . . 25 CYS HB2 . 18155 1 271 . 1 1 25 25 CYS HB3 H 1 2.542 0.020 . 1 . . . . 25 CYS HB3 . 18155 1 272 . 1 1 25 25 CYS C C 13 172.599 0.3 . 1 . . . . 25 CYS C . 18155 1 273 . 1 1 25 25 CYS CA C 13 52.288 0.3 . 1 . . . . 25 CYS CA . 18155 1 274 . 1 1 25 25 CYS CB C 13 41.524 0.3 . 1 . . . . 25 CYS CB . 18155 1 275 . 1 1 25 25 CYS N N 15 126.788 0.3 . 1 . . . . 25 CYS N . 18155 1 276 . 1 1 26 26 VAL H H 1 8.702 0.020 . 1 . . . . 26 VAL H . 18155 1 277 . 1 1 26 26 VAL HA H 1 5.374 0.020 . 1 . . . . 26 VAL HA . 18155 1 278 . 1 1 26 26 VAL HB H 1 1.820 0.020 . 1 . . . . 26 VAL HB . 18155 1 279 . 1 1 26 26 VAL HG11 H 1 0.841 0.020 . 4 . . . . 26 VAL HG1 . 18155 1 280 . 1 1 26 26 VAL HG12 H 1 0.841 0.020 . 4 . . . . 26 VAL HG1 . 18155 1 281 . 1 1 26 26 VAL HG13 H 1 0.841 0.020 . 4 . . . . 26 VAL HG1 . 18155 1 282 . 1 1 26 26 VAL HG21 H 1 0.841 0.020 . 4 . . . . 26 VAL HG2 . 18155 1 283 . 1 1 26 26 VAL HG22 H 1 0.841 0.020 . 4 . . . . 26 VAL HG2 . 18155 1 284 . 1 1 26 26 VAL HG23 H 1 0.841 0.020 . 4 . . . . 26 VAL HG2 . 18155 1 285 . 1 1 26 26 VAL C C 13 175.600 0.3 . 1 . . . . 26 VAL C . 18155 1 286 . 1 1 26 26 VAL CA C 13 60.300 0.3 . 1 . . . . 26 VAL CA . 18155 1 287 . 1 1 26 26 VAL CB C 13 36.366 0.3 . 1 . . . . 26 VAL CB . 18155 1 288 . 1 1 26 26 VAL CG1 C 13 21.014 0.3 . 4 . . . . 26 VAL CG1 . 18155 1 289 . 1 1 26 26 VAL CG2 C 13 21.014 0.3 . 4 . . . . 26 VAL CG2 . 18155 1 290 . 1 1 26 26 VAL N N 15 124.117 0.3 . 1 . . . . 26 VAL N . 18155 1 291 . 1 1 27 27 VAL H H 1 8.507 0.020 . 1 . . . . 27 VAL H . 18155 1 292 . 1 1 27 27 VAL HA H 1 4.061 0.020 . 1 . . . . 27 VAL HA . 18155 1 293 . 1 1 27 27 VAL HB H 1 1.629 0.020 . 1 . . . . 27 VAL HB . 18155 1 294 . 1 1 27 27 VAL HG11 H 1 0.841 0.020 . 1 . . . . 27 VAL HG1 . 18155 1 295 . 1 1 27 27 VAL HG12 H 1 0.841 0.020 . 1 . . . . 27 VAL HG1 . 18155 1 296 . 1 1 27 27 VAL HG13 H 1 0.841 0.020 . 1 . . . . 27 VAL HG1 . 18155 1 297 . 1 1 27 27 VAL HG21 H 1 0.993 0.020 . 1 . . . . 27 VAL HG2 . 18155 1 298 . 1 1 27 27 VAL HG22 H 1 0.993 0.020 . 1 . . . . 27 VAL HG2 . 18155 1 299 . 1 1 27 27 VAL HG23 H 1 0.993 0.020 . 1 . . . . 27 VAL HG2 . 18155 1 300 . 1 1 27 27 VAL C C 13 173.106 0.3 . 1 . . . . 27 VAL C . 18155 1 301 . 1 1 27 27 VAL CA C 13 61.724 0.3 . 1 . . . . 27 VAL CA . 18155 1 302 . 1 1 27 27 VAL CB C 13 36.017 0.3 . 1 . . . . 27 VAL CB . 18155 1 303 . 1 1 27 27 VAL CG1 C 13 23.547 0.3 . 1 . . . . 27 VAL CG1 . 18155 1 304 . 1 1 27 27 VAL CG2 C 13 21.603 0.3 . 1 . . . . 27 VAL CG2 . 18155 1 305 . 1 1 27 27 VAL N N 15 125.656 0.3 . 1 . . . . 27 VAL N . 18155 1 306 . 1 1 28 28 GLU H H 1 8.573 0.020 . 1 . . . . 28 GLU H . 18155 1 307 . 1 1 28 28 GLU HA H 1 4.838 0.020 . 1 . . . . 28 GLU HA . 18155 1 308 . 1 1 28 28 GLU HB2 H 1 1.950 0.020 . 2 . . . . 28 GLU HB2 . 18155 1 309 . 1 1 28 28 GLU HB3 H 1 2.267 0.020 . 2 . . . . 28 GLU HB3 . 18155 1 310 . 1 1 28 28 GLU HG2 H 1 2.090 0.020 . 1 . . . . 28 GLU HG2 . 18155 1 311 . 1 1 28 28 GLU HG3 H 1 2.090 0.020 . 1 . . . . 28 GLU HG3 . 18155 1 312 . 1 1 28 28 GLU C C 13 175.256 0.3 . 1 . . . . 28 GLU C . 18155 1 313 . 1 1 28 28 GLU CA C 13 54.508 0.3 . 1 . . . . 28 GLU CA . 18155 1 314 . 1 1 28 28 GLU CB C 13 33.046 0.3 . 1 . . . . 28 GLU CB . 18155 1 315 . 1 1 28 28 GLU CG C 13 36.403 0.3 . 1 . . . . 28 GLU CG . 18155 1 316 . 1 1 28 28 GLU N N 15 124.525 0.3 . 1 . . . . 28 GLU N . 18155 1 317 . 1 1 29 29 ASN H H 1 8.604 0.020 . 1 . . . . 29 ASN H . 18155 1 318 . 1 1 29 29 ASN HA H 1 4.076 0.020 . 1 . . . . 29 ASN HA . 18155 1 319 . 1 1 29 29 ASN HB2 H 1 2.907 0.020 . 2 . . . . 29 ASN HB2 . 18155 1 320 . 1 1 29 29 ASN HB3 H 1 3.007 0.020 . 2 . . . . 29 ASN HB3 . 18155 1 321 . 1 1 29 29 ASN HD21 H 1 7.571 0.020 . 1 . . . . 29 ASN HD21 . 18155 1 322 . 1 1 29 29 ASN HD22 H 1 6.937 0.020 . 1 . . . . 29 ASN HD22 . 18155 1 323 . 1 1 29 29 ASN C C 13 172.802 0.3 . 1 . . . . 29 ASN C . 18155 1 324 . 1 1 29 29 ASN CA C 13 54.333 0.3 . 1 . . . . 29 ASN CA . 18155 1 325 . 1 1 29 29 ASN CB C 13 36.669 0.3 . 1 . . . . 29 ASN CB . 18155 1 326 . 1 1 29 29 ASN CG C 13 177.547 0.3 . 1 . . . . 29 ASN CG . 18155 1 327 . 1 1 29 29 ASN N N 15 114.358 0.3 . 1 . . . . 29 ASN N . 18155 1 328 . 1 1 29 29 ASN ND2 N 15 114.471 0.3 . 1 . . . . 29 ASN ND2 . 18155 1 329 . 1 1 30 30 ALA H H 1 8.660 0.020 . 1 . . . . 30 ALA H . 18155 1 330 . 1 1 30 30 ALA HA H 1 4.798 0.020 . 1 . . . . 30 ALA HA . 18155 1 331 . 1 1 30 30 ALA HB1 H 1 1.424 0.020 . 1 . . . . 30 ALA HB . 18155 1 332 . 1 1 30 30 ALA HB2 H 1 1.424 0.020 . 1 . . . . 30 ALA HB . 18155 1 333 . 1 1 30 30 ALA HB3 H 1 1.424 0.020 . 1 . . . . 30 ALA HB . 18155 1 334 . 1 1 30 30 ALA C C 13 176.716 0.3 . 1 . . . . 30 ALA C . 18155 1 335 . 1 1 30 30 ALA CA C 13 50.856 0.3 . 1 . . . . 30 ALA CA . 18155 1 336 . 1 1 30 30 ALA CB C 13 22.150 0.3 . 1 . . . . 30 ALA CB . 18155 1 337 . 1 1 30 30 ALA N N 15 121.058 0.3 . 1 . . . . 30 ALA N . 18155 1 338 . 1 1 33 33 PRO HA H 1 4.220 0.020 . 1 . . . . 33 PRO HA . 18155 1 339 . 1 1 33 33 PRO HB2 H 1 2.136 0.020 . 1 . . . . 33 PRO HB2 . 18155 1 340 . 1 1 33 33 PRO HB3 H 1 2.136 0.020 . 1 . . . . 33 PRO HB3 . 18155 1 341 . 1 1 33 33 PRO HG2 H 1 1.742 0.020 . 1 . . . . 33 PRO HG2 . 18155 1 342 . 1 1 33 33 PRO HG3 H 1 1.742 0.020 . 1 . . . . 33 PRO HG3 . 18155 1 343 . 1 1 33 33 PRO HD2 H 1 2.788 0.020 . 1 . . . . 33 PRO HD2 . 18155 1 344 . 1 1 33 33 PRO HD3 H 1 2.788 0.020 . 1 . . . . 33 PRO HD3 . 18155 1 345 . 1 1 33 33 PRO C C 13 176.412 0.3 . 1 . . . . 33 PRO C . 18155 1 346 . 1 1 33 33 PRO CA C 13 63.148 0.3 . 1 . . . . 33 PRO CA . 18155 1 347 . 1 1 33 33 PRO CB C 13 31.466 0.3 . 1 . . . . 33 PRO CB . 18155 1 348 . 1 1 33 33 PRO CG C 13 27.598 0.3 . 1 . . . . 33 PRO CG . 18155 1 349 . 1 1 33 33 PRO CD C 13 50.025 0.3 . 1 . . . . 33 PRO CD . 18155 1 350 . 1 1 34 34 ALA H H 1 8.313 0.020 . 1 . . . . 34 ALA H . 18155 1 351 . 1 1 34 34 ALA HA H 1 4.247 0.020 . 1 . . . . 34 ALA HA . 18155 1 352 . 1 1 34 34 ALA HB1 H 1 0.901 0.020 . 1 . . . . 34 ALA HB . 18155 1 353 . 1 1 34 34 ALA HB2 H 1 0.901 0.020 . 1 . . . . 34 ALA HB . 18155 1 354 . 1 1 34 34 ALA HB3 H 1 0.901 0.020 . 1 . . . . 34 ALA HB . 18155 1 355 . 1 1 34 34 ALA C C 13 177.324 0.3 . 1 . . . . 34 ALA C . 18155 1 356 . 1 1 34 34 ALA CA C 13 51.162 0.3 . 1 . . . . 34 ALA CA . 18155 1 357 . 1 1 34 34 ALA CB C 13 19.401 0.3 . 1 . . . . 34 ALA CB . 18155 1 358 . 1 1 34 34 ALA N N 15 124.210 0.3 . 1 . . . . 34 ALA N . 18155 1 359 . 1 1 35 35 ASP H H 1 8.246 0.020 . 1 . . . . 35 ASP H . 18155 1 360 . 1 1 35 35 ASP HA H 1 4.865 0.020 . 1 . . . . 35 ASP HA . 18155 1 361 . 1 1 35 35 ASP HB2 H 1 2.546 0.020 . 2 . . . . 35 ASP HB2 . 18155 1 362 . 1 1 35 35 ASP HB3 H 1 2.422 0.020 . 2 . . . . 35 ASP HB3 . 18155 1 363 . 1 1 35 35 ASP C C 13 174.303 0.3 . 1 . . . . 35 ASP C . 18155 1 364 . 1 1 35 35 ASP CA C 13 53.211 0.3 . 1 . . . . 35 ASP CA . 18155 1 365 . 1 1 35 35 ASP CB C 13 43.094 0.3 . 1 . . . . 35 ASP CB . 18155 1 366 . 1 1 35 35 ASP N N 15 121.911 0.3 . 1 . . . . 35 ASP N . 18155 1 367 . 1 1 36 36 LEU H H 1 8.409 0.020 . 1 . . . . 36 LEU H . 18155 1 368 . 1 1 36 36 LEU HA H 1 5.347 0.020 . 1 . . . . 36 LEU HA . 18155 1 369 . 1 1 36 36 LEU HB2 H 1 0.900 0.020 . 2 . . . . 36 LEU HB2 . 18155 1 370 . 1 1 36 36 LEU HB3 H 1 1.603 0.020 . 2 . . . . 36 LEU HB3 . 18155 1 371 . 1 1 36 36 LEU HG H 1 1.335 0.020 . 1 . . . . 36 LEU HG . 18155 1 372 . 1 1 36 36 LEU HD11 H 1 0.625 0.020 . 1 . . . . 36 LEU HD1 . 18155 1 373 . 1 1 36 36 LEU HD12 H 1 0.625 0.020 . 1 . . . . 36 LEU HD1 . 18155 1 374 . 1 1 36 36 LEU HD13 H 1 0.625 0.020 . 1 . . . . 36 LEU HD1 . 18155 1 375 . 1 1 36 36 LEU HD21 H 1 0.541 0.020 . 1 . . . . 36 LEU HD2 . 18155 1 376 . 1 1 36 36 LEU HD22 H 1 0.541 0.020 . 1 . . . . 36 LEU HD2 . 18155 1 377 . 1 1 36 36 LEU HD23 H 1 0.541 0.020 . 1 . . . . 36 LEU HD2 . 18155 1 378 . 1 1 36 36 LEU C C 13 176.554 0.3 . 1 . . . . 36 LEU C . 18155 1 379 . 1 1 36 36 LEU CA C 13 53.076 0.3 . 1 . . . . 36 LEU CA . 18155 1 380 . 1 1 36 36 LEU CB C 13 42.725 0.3 . 1 . . . . 36 LEU CB . 18155 1 381 . 1 1 36 36 LEU CG C 13 26.720 0.3 . 1 . . . . 36 LEU CG . 18155 1 382 . 1 1 36 36 LEU CD1 C 13 26.374 0.3 . 1 . . . . 36 LEU CD1 . 18155 1 383 . 1 1 36 36 LEU CD2 C 13 23.234 0.3 . 1 . . . . 36 LEU CD2 . 18155 1 384 . 1 1 36 36 LEU N N 15 121.262 0.3 . 1 . . . . 36 LEU N . 18155 1 385 . 1 1 37 37 ILE H H 1 9.301 0.020 . 1 . . . . 37 ILE H . 18155 1 386 . 1 1 37 37 ILE HA H 1 4.464 0.020 . 1 . . . . 37 ILE HA . 18155 1 387 . 1 1 37 37 ILE HB H 1 1.617 0.020 . 1 . . . . 37 ILE HB . 18155 1 388 . 1 1 37 37 ILE HG12 H 1 1.298 0.020 . 2 . . . . 37 ILE HG12 . 18155 1 389 . 1 1 37 37 ILE HG13 H 1 1.113 0.020 . 2 . . . . 37 ILE HG13 . 18155 1 390 . 1 1 37 37 ILE HG21 H 1 0.924 0.020 . 1 . . . . 37 ILE HG2 . 18155 1 391 . 1 1 37 37 ILE HG22 H 1 0.924 0.020 . 1 . . . . 37 ILE HG2 . 18155 1 392 . 1 1 37 37 ILE HG23 H 1 0.924 0.020 . 1 . . . . 37 ILE HG2 . 18155 1 393 . 1 1 37 37 ILE HD11 H 1 0.747 0.020 . 1 . . . . 37 ILE HD1 . 18155 1 394 . 1 1 37 37 ILE HD12 H 1 0.747 0.020 . 1 . . . . 37 ILE HD1 . 18155 1 395 . 1 1 37 37 ILE HD13 H 1 0.747 0.020 . 1 . . . . 37 ILE HD1 . 18155 1 396 . 1 1 37 37 ILE C C 13 176.107 0.3 . 1 . . . . 37 ILE C . 18155 1 397 . 1 1 37 37 ILE CA C 13 59.524 0.3 . 1 . . . . 37 ILE CA . 18155 1 398 . 1 1 37 37 ILE CB C 13 41.618 0.3 . 1 . . . . 37 ILE CB . 18155 1 399 . 1 1 37 37 ILE CG1 C 13 27.326 0.3 . 1 . . . . 37 ILE CG1 . 18155 1 400 . 1 1 37 37 ILE CG2 C 13 18.909 0.3 . 1 . . . . 37 ILE CG2 . 18155 1 401 . 1 1 37 37 ILE CD1 C 13 13.262 0.3 . 1 . . . . 37 ILE CD1 . 18155 1 402 . 1 1 37 37 ILE N N 15 123.992 0.3 . 1 . . . . 37 ILE N . 18155 1 403 . 1 1 38 38 TRP H H 1 9.714 0.020 . 1 . . . . 38 TRP H . 18155 1 404 . 1 1 38 38 TRP HA H 1 5.222 0.020 . 1 . . . . 38 TRP HA . 18155 1 405 . 1 1 38 38 TRP HB2 H 1 3.145 0.020 . 1 . . . . 38 TRP HB2 . 18155 1 406 . 1 1 38 38 TRP HB3 H 1 3.145 0.020 . 1 . . . . 38 TRP HB3 . 18155 1 407 . 1 1 38 38 TRP HD1 H 1 7.178 0.020 . 1 . . . . 38 TRP HD1 . 18155 1 408 . 1 1 38 38 TRP HE1 H 1 9.596 0.020 . 1 . . . . 38 TRP HE1 . 18155 1 409 . 1 1 38 38 TRP HE3 H 1 7.420 0.020 . 1 . . . . 38 TRP HE3 . 18155 1 410 . 1 1 38 38 TRP HZ2 H 1 7.606 0.020 . 1 . . . . 38 TRP HZ2 . 18155 1 411 . 1 1 38 38 TRP HZ3 H 1 6.627 0.020 . 1 . . . . 38 TRP HZ3 . 18155 1 412 . 1 1 38 38 TRP HH2 H 1 6.641 0.020 . 1 . . . . 38 TRP HH2 . 18155 1 413 . 1 1 38 38 TRP C C 13 175.661 0.3 . 1 . . . . 38 TRP C . 18155 1 414 . 1 1 38 38 TRP CA C 13 56.687 0.3 . 1 . . . . 38 TRP CA . 18155 1 415 . 1 1 38 38 TRP CB C 13 31.626 0.3 . 1 . . . . 38 TRP CB . 18155 1 416 . 1 1 38 38 TRP CD1 C 13 131.701 0.3 . 1 . . . . 38 TRP CD1 . 18155 1 417 . 1 1 38 38 TRP CE3 C 13 120.154 0.3 . 1 . . . . 38 TRP CE3 . 18155 1 418 . 1 1 38 38 TRP CZ2 C 13 115.719 0.3 . 1 . . . . 38 TRP CZ2 . 18155 1 419 . 1 1 38 38 TRP CZ3 C 13 120.024 0.3 . 1 . . . . 38 TRP CZ3 . 18155 1 420 . 1 1 38 38 TRP CH2 C 13 122.873 0.3 . 1 . . . . 38 TRP CH2 . 18155 1 421 . 1 1 38 38 TRP N N 15 130.406 0.3 . 1 . . . . 38 TRP N . 18155 1 422 . 1 1 38 38 TRP NE1 N 15 127.146 0.3 . 1 . . . . 38 TRP NE1 . 18155 1 423 . 1 1 39 39 LYS H H 1 9.060 0.020 . 1 . . . . 39 LYS H . 18155 1 424 . 1 1 39 39 LYS HA H 1 5.147 0.020 . 1 . . . . 39 LYS HA . 18155 1 425 . 1 1 39 39 LYS HB2 H 1 1.541 0.020 . 2 . . . . 39 LYS HB2 . 18155 1 426 . 1 1 39 39 LYS HB3 H 1 1.152 0.020 . 2 . . . . 39 LYS HB3 . 18155 1 427 . 1 1 39 39 LYS HG2 H 1 0.920 0.020 . 1 . . . . 39 LYS HG2 . 18155 1 428 . 1 1 39 39 LYS HG3 H 1 0.920 0.020 . 1 . . . . 39 LYS HG3 . 18155 1 429 . 1 1 39 39 LYS HE2 H 1 3.140 0.020 . 1 . . . . 39 LYS HE2 . 18155 1 430 . 1 1 39 39 LYS HE3 H 1 3.140 0.020 . 1 . . . . 39 LYS HE3 . 18155 1 431 . 1 1 39 39 LYS C C 13 174.384 0.3 . 1 . . . . 39 LYS C . 18155 1 432 . 1 1 39 39 LYS CA C 13 54.790 0.3 . 1 . . . . 39 LYS CA . 18155 1 433 . 1 1 39 39 LYS CB C 13 37.669 0.3 . 1 . . . . 39 LYS CB . 18155 1 434 . 1 1 39 39 LYS CG C 13 27.178 0.3 . 1 . . . . 39 LYS CG . 18155 1 435 . 1 1 39 39 LYS CE C 13 42.158 0.3 . 1 . . . . 39 LYS CE . 18155 1 436 . 1 1 39 39 LYS N N 15 119.230 0.3 . 1 . . . . 39 LYS N . 18155 1 437 . 1 1 40 40 LYS H H 1 8.585 0.020 . 1 . . . . 40 LYS H . 18155 1 438 . 1 1 40 40 LYS HA H 1 4.568 0.020 . 1 . . . . 40 LYS HA . 18155 1 439 . 1 1 40 40 LYS HB2 H 1 1.658 0.020 . 2 . . . . 40 LYS HB2 . 18155 1 440 . 1 1 40 40 LYS HB3 H 1 1.094 0.020 . 2 . . . . 40 LYS HB3 . 18155 1 441 . 1 1 40 40 LYS HG2 H 1 1.053 0.020 . 1 . . . . 40 LYS HG2 . 18155 1 442 . 1 1 40 40 LYS HG3 H 1 1.053 0.020 . 1 . . . . 40 LYS HG3 . 18155 1 443 . 1 1 40 40 LYS HD2 H 1 1.269 0.020 . 1 . . . . 40 LYS HD2 . 18155 1 444 . 1 1 40 40 LYS HD3 H 1 1.269 0.020 . 1 . . . . 40 LYS HD3 . 18155 1 445 . 1 1 40 40 LYS C C 13 176.371 0.3 . 1 . . . . 40 LYS C . 18155 1 446 . 1 1 40 40 LYS CA C 13 53.746 0.3 . 1 . . . . 40 LYS CA . 18155 1 447 . 1 1 40 40 LYS CB C 13 35.324 0.3 . 1 . . . . 40 LYS CB . 18155 1 448 . 1 1 40 40 LYS CG C 13 23.468 0.3 . 1 . . . . 40 LYS CG . 18155 1 449 . 1 1 40 40 LYS CD C 13 28.700 0.3 . 1 . . . . 40 LYS CD . 18155 1 450 . 1 1 40 40 LYS CE C 13 41.261 0.3 . 1 . . . . 40 LYS CE . 18155 1 451 . 1 1 40 40 LYS N N 15 120.465 0.3 . 1 . . . . 40 LYS N . 18155 1 452 . 1 1 41 41 ASN H H 1 9.629 0.020 . 1 . . . . 41 ASN H . 18155 1 453 . 1 1 41 41 ASN HA H 1 4.330 0.020 . 1 . . . . 41 ASN HA . 18155 1 454 . 1 1 41 41 ASN HB2 H 1 2.942 0.020 . 2 . . . . 41 ASN HB2 . 18155 1 455 . 1 1 41 41 ASN HB3 H 1 3.051 0.020 . 2 . . . . 41 ASN HB3 . 18155 1 456 . 1 1 41 41 ASN HD21 H 1 7.728 0.020 . 1 . . . . 41 ASN HD21 . 18155 1 457 . 1 1 41 41 ASN HD22 H 1 6.821 0.020 . 1 . . . . 41 ASN HD22 . 18155 1 458 . 1 1 41 41 ASN C C 13 174.729 0.3 . 1 . . . . 41 ASN C . 18155 1 459 . 1 1 41 41 ASN CA C 13 54.326 0.3 . 1 . . . . 41 ASN CA . 18155 1 460 . 1 1 41 41 ASN CB C 13 36.184 0.3 . 1 . . . . 41 ASN CB . 18155 1 461 . 1 1 41 41 ASN CG C 13 177.344 0.3 . 1 . . . . 41 ASN CG . 18155 1 462 . 1 1 41 41 ASN N N 15 128.853 0.3 . 1 . . . . 41 ASN N . 18155 1 463 . 1 1 41 41 ASN ND2 N 15 113.741 0.3 . 1 . . . . 41 ASN ND2 . 18155 1 464 . 1 1 42 42 ASN H H 1 8.733 0.020 . 1 . . . . 42 ASN H . 18155 1 465 . 1 1 42 42 ASN HA H 1 4.118 0.020 . 1 . . . . 42 ASN HA . 18155 1 466 . 1 1 42 42 ASN HB2 H 1 3.083 0.020 . 2 . . . . 42 ASN HB2 . 18155 1 467 . 1 1 42 42 ASN HB3 H 1 2.898 0.020 . 2 . . . . 42 ASN HB3 . 18155 1 468 . 1 1 42 42 ASN HD21 H 1 7.552 0.020 . 1 . . . . 42 ASN HD21 . 18155 1 469 . 1 1 42 42 ASN HD22 H 1 6.924 0.020 . 1 . . . . 42 ASN HD22 . 18155 1 470 . 1 1 42 42 ASN C C 13 173.633 0.3 . 1 . . . . 42 ASN C . 18155 1 471 . 1 1 42 42 ASN CA C 13 54.630 0.3 . 1 . . . . 42 ASN CA . 18155 1 472 . 1 1 42 42 ASN CB C 13 37.906 0.3 . 1 . . . . 42 ASN CB . 18155 1 473 . 1 1 42 42 ASN CG C 13 177.912 0.3 . 1 . . . . 42 ASN CG . 18155 1 474 . 1 1 42 42 ASN N N 15 109.318 0.3 . 1 . . . . 42 ASN N . 18155 1 475 . 1 1 42 42 ASN ND2 N 15 113.123 0.3 . 1 . . . . 42 ASN ND2 . 18155 1 476 . 1 1 43 43 GLN H H 1 8.105 0.020 . 1 . . . . 43 GLN H . 18155 1 477 . 1 1 43 43 GLN HA H 1 4.696 0.020 . 1 . . . . 43 GLN HA . 18155 1 478 . 1 1 43 43 GLN HB2 H 1 2.164 0.020 . 1 . . . . 43 GLN HB2 . 18155 1 479 . 1 1 43 43 GLN HB3 H 1 2.164 0.020 . 1 . . . . 43 GLN HB3 . 18155 1 480 . 1 1 43 43 GLN HG2 H 1 2.405 0.020 . 1 . . . . 43 GLN HG2 . 18155 1 481 . 1 1 43 43 GLN HG3 H 1 2.405 0.020 . 1 . . . . 43 GLN HG3 . 18155 1 482 . 1 1 43 43 GLN HE21 H 1 7.810 0.020 . 1 . . . . 43 GLN HE21 . 18155 1 483 . 1 1 43 43 GLN HE22 H 1 6.848 0.020 . 1 . . . . 43 GLN HE22 . 18155 1 484 . 1 1 43 43 GLN C C 13 175.317 0.3 . 1 . . . . 43 GLN C . 18155 1 485 . 1 1 43 43 GLN CA C 13 54.323 0.3 . 1 . . . . 43 GLN CA . 18155 1 486 . 1 1 43 43 GLN CB C 13 30.009 0.3 . 1 . . . . 43 GLN CB . 18155 1 487 . 1 1 43 43 GLN CG C 13 33.307 0.3 . 1 . . . . 43 GLN CG . 18155 1 488 . 1 1 43 43 GLN CD C 13 180.690 0.3 . 1 . . . . 43 GLN CD . 18155 1 489 . 1 1 43 43 GLN N N 15 120.780 0.3 . 1 . . . . 43 GLN N . 18155 1 490 . 1 1 43 43 GLN NE2 N 15 112.393 0.3 . 1 . . . . 43 GLN NE2 . 18155 1 491 . 1 1 44 44 THR H H 1 8.788 0.020 . 1 . . . . 44 THR H . 18155 1 492 . 1 1 44 44 THR HA H 1 4.169 0.020 . 1 . . . . 44 THR HA . 18155 1 493 . 1 1 44 44 THR HB H 1 3.984 0.020 . 1 . . . . 44 THR HB . 18155 1 494 . 1 1 44 44 THR HG21 H 1 1.199 0.020 . 1 . . . . 44 THR HG2 . 18155 1 495 . 1 1 44 44 THR HG22 H 1 1.199 0.020 . 1 . . . . 44 THR HG2 . 18155 1 496 . 1 1 44 44 THR HG23 H 1 1.199 0.020 . 1 . . . . 44 THR HG2 . 18155 1 497 . 1 1 44 44 THR C C 13 174.262 0.3 . 1 . . . . 44 THR C . 18155 1 498 . 1 1 44 44 THR CA C 13 65.035 0.3 . 1 . . . . 44 THR CA . 18155 1 499 . 1 1 44 44 THR CB C 13 69.168 0.3 . 1 . . . . 44 THR CB . 18155 1 500 . 1 1 44 44 THR CG2 C 13 21.941 0.3 . 1 . . . . 44 THR CG2 . 18155 1 501 . 1 1 44 44 THR N N 15 122.824 0.3 . 1 . . . . 44 THR N . 18155 1 502 . 1 1 45 45 LEU H H 1 8.679 0.020 . 1 . . . . 45 LEU H . 18155 1 503 . 1 1 45 45 LEU HA H 1 4.582 0.020 . 1 . . . . 45 LEU HA . 18155 1 504 . 1 1 45 45 LEU HB2 H 1 1.279 0.020 . 2 . . . . 45 LEU HB2 . 18155 1 505 . 1 1 45 45 LEU HB3 H 1 1.839 0.020 . 2 . . . . 45 LEU HB3 . 18155 1 506 . 1 1 45 45 LEU HG H 1 0.921 0.020 . 1 . . . . 45 LEU HG . 18155 1 507 . 1 1 45 45 LEU C C 13 174.769 0.3 . 1 . . . . 45 LEU C . 18155 1 508 . 1 1 45 45 LEU CA C 13 54.052 0.3 . 1 . . . . 45 LEU CA . 18155 1 509 . 1 1 45 45 LEU CB C 13 42.833 0.3 . 1 . . . . 45 LEU CB . 18155 1 510 . 1 1 45 45 LEU N N 15 128.956 0.3 . 1 . . . . 45 LEU N . 18155 1 511 . 1 1 46 46 VAL H H 1 8.273 0.020 . 1 . . . . 46 VAL H . 18155 1 512 . 1 1 46 46 VAL HA H 1 4.124 0.020 . 1 . . . . 46 VAL HA . 18155 1 513 . 1 1 46 46 VAL HB H 1 1.906 0.020 . 1 . . . . 46 VAL HB . 18155 1 514 . 1 1 46 46 VAL HG11 H 1 0.960 0.020 . 1 . . . . 46 VAL HG1 . 18155 1 515 . 1 1 46 46 VAL HG12 H 1 0.960 0.020 . 1 . . . . 46 VAL HG1 . 18155 1 516 . 1 1 46 46 VAL HG13 H 1 0.960 0.020 . 1 . . . . 46 VAL HG1 . 18155 1 517 . 1 1 46 46 VAL HG21 H 1 0.898 0.020 . 1 . . . . 46 VAL HG2 . 18155 1 518 . 1 1 46 46 VAL HG22 H 1 0.898 0.020 . 1 . . . . 46 VAL HG2 . 18155 1 519 . 1 1 46 46 VAL HG23 H 1 0.898 0.020 . 1 . . . . 46 VAL HG2 . 18155 1 520 . 1 1 46 46 VAL C C 13 177.547 0.3 . 1 . . . . 46 VAL C . 18155 1 521 . 1 1 46 46 VAL CA C 13 60.877 0.3 . 1 . . . . 46 VAL CA . 18155 1 522 . 1 1 46 46 VAL CB C 13 33.751 0.3 . 1 . . . . 46 VAL CB . 18155 1 523 . 1 1 46 46 VAL CG1 C 13 20.889 0.3 . 1 . . . . 46 VAL CG1 . 18155 1 524 . 1 1 46 46 VAL CG2 C 13 21.057 0.3 . 1 . . . . 46 VAL CG2 . 18155 1 525 . 1 1 46 46 VAL N N 15 123.005 0.3 . 1 . . . . 46 VAL N . 18155 1 526 . 1 1 47 47 ASP H H 1 8.423 0.020 . 1 . . . . 47 ASP H . 18155 1 527 . 1 1 47 47 ASP HA H 1 4.336 0.020 . 1 . . . . 47 ASP HA . 18155 1 528 . 1 1 47 47 ASP HB2 H 1 2.876 0.020 . 2 . . . . 47 ASP HB2 . 18155 1 529 . 1 1 47 47 ASP HB3 H 1 2.462 0.020 . 2 . . . . 47 ASP HB3 . 18155 1 530 . 1 1 47 47 ASP C C 13 176.554 0.3 . 1 . . . . 47 ASP C . 18155 1 531 . 1 1 47 47 ASP CA C 13 54.459 0.3 . 1 . . . . 47 ASP CA . 18155 1 532 . 1 1 47 47 ASP CB C 13 42.841 0.3 . 1 . . . . 47 ASP CB . 18155 1 533 . 1 1 47 47 ASP N N 15 127.510 0.3 . 1 . . . . 47 ASP N . 18155 1 534 . 1 1 48 48 ASP H H 1 9.107 0.020 . 1 . . . . 48 ASP H . 18155 1 535 . 1 1 48 48 ASP HA H 1 4.920 0.020 . 1 . . . . 48 ASP HA . 18155 1 536 . 1 1 48 48 ASP HB2 H 1 3.281 0.020 . 2 . . . . 48 ASP HB2 . 18155 1 537 . 1 1 48 48 ASP HB3 H 1 2.688 0.020 . 2 . . . . 48 ASP HB3 . 18155 1 538 . 1 1 48 48 ASP C C 13 178.176 0.3 . 1 . . . . 48 ASP C . 18155 1 539 . 1 1 48 48 ASP CA C 13 52.135 0.3 . 1 . . . . 48 ASP CA . 18155 1 540 . 1 1 48 48 ASP CB C 13 41.701 0.3 . 1 . . . . 48 ASP CB . 18155 1 541 . 1 1 48 48 ASP N N 15 126.575 0.3 . 1 . . . . 48 ASP N . 18155 1 542 . 1 1 49 49 GLY H H 1 8.972 0.020 . 1 . . . . 49 GLY H . 18155 1 543 . 1 1 49 49 GLY HA2 H 1 4.132 0.020 . 2 . . . . 49 GLY HA2 . 18155 1 544 . 1 1 49 49 GLY HA3 H 1 3.796 0.020 . 2 . . . . 49 GLY HA3 . 18155 1 545 . 1 1 49 49 GLY C C 13 173.552 0.3 . 1 . . . . 49 GLY C . 18155 1 546 . 1 1 49 49 GLY CA C 13 46.278 0.3 . 1 . . . . 49 GLY CA . 18155 1 547 . 1 1 49 49 GLY N N 15 109.855 0.3 . 1 . . . . 49 GLY N . 18155 1 548 . 1 1 50 50 LYS H H 1 8.431 0.020 . 1 . . . . 50 LYS H . 18155 1 549 . 1 1 50 50 LYS HA H 1 4.461 0.020 . 1 . . . . 50 LYS HA . 18155 1 550 . 1 1 50 50 LYS HB2 H 1 1.693 0.020 . 2 . . . . 50 LYS HB2 . 18155 1 551 . 1 1 50 50 LYS HB3 H 1 1.639 0.020 . 2 . . . . 50 LYS HB3 . 18155 1 552 . 1 1 50 50 LYS HG2 H 1 1.417 0.020 . 2 . . . . 50 LYS HG2 . 18155 1 553 . 1 1 50 50 LYS HG3 H 1 1.293 0.020 . 2 . . . . 50 LYS HG3 . 18155 1 554 . 1 1 50 50 LYS HD2 H 1 1.678 0.020 . 1 . . . . 50 LYS HD2 . 18155 1 555 . 1 1 50 50 LYS HD3 H 1 1.678 0.020 . 1 . . . . 50 LYS HD3 . 18155 1 556 . 1 1 50 50 LYS HE2 H 1 2.979 0.020 . 1 . . . . 50 LYS HE2 . 18155 1 557 . 1 1 50 50 LYS HE3 H 1 2.979 0.020 . 1 . . . . 50 LYS HE3 . 18155 1 558 . 1 1 50 50 LYS C C 13 174.465 0.3 . 1 . . . . 50 LYS C . 18155 1 559 . 1 1 50 50 LYS CA C 13 58.528 0.3 . 1 . . . . 50 LYS CA . 18155 1 560 . 1 1 50 50 LYS CB C 13 37.113 0.3 . 1 . . . . 50 LYS CB . 18155 1 561 . 1 1 50 50 LYS CG C 13 24.643 0.3 . 1 . . . . 50 LYS CG . 18155 1 562 . 1 1 50 50 LYS CD C 13 28.850 0.3 . 1 . . . . 50 LYS CD . 18155 1 563 . 1 1 50 50 LYS CE C 13 41.951 0.3 . 1 . . . . 50 LYS CE . 18155 1 564 . 1 1 50 50 LYS N N 15 119.334 0.3 . 1 . . . . 50 LYS N . 18155 1 565 . 1 1 51 51 THR H H 1 10.509 0.020 . 1 . . . . 51 THR H . 18155 1 566 . 1 1 51 51 THR HA H 1 4.363 0.020 . 1 . . . . 51 THR HA . 18155 1 567 . 1 1 51 51 THR HB H 1 4.040 0.020 . 1 . . . . 51 THR HB . 18155 1 568 . 1 1 51 51 THR HG21 H 1 1.135 0.020 . 1 . . . . 51 THR HG2 . 18155 1 569 . 1 1 51 51 THR HG22 H 1 1.135 0.020 . 1 . . . . 51 THR HG2 . 18155 1 570 . 1 1 51 51 THR HG23 H 1 1.135 0.020 . 1 . . . . 51 THR HG2 . 18155 1 571 . 1 1 51 51 THR C C 13 174.100 0.3 . 1 . . . . 51 THR C . 18155 1 572 . 1 1 51 51 THR CA C 13 61.893 0.3 . 1 . . . . 51 THR CA . 18155 1 573 . 1 1 51 51 THR CB C 13 70.236 0.3 . 1 . . . . 51 THR CB . 18155 1 574 . 1 1 51 51 THR CG2 C 13 21.643 0.3 . 1 . . . . 51 THR CG2 . 18155 1 575 . 1 1 51 51 THR N N 15 115.813 0.3 . 1 . . . . 51 THR N . 18155 1 576 . 1 1 52 52 ILE H H 1 7.969 0.020 . 1 . . . . 52 ILE H . 18155 1 577 . 1 1 52 52 ILE HA H 1 4.561 0.020 . 1 . . . . 52 ILE HA . 18155 1 578 . 1 1 52 52 ILE HB H 1 1.879 0.020 . 1 . . . . 52 ILE HB . 18155 1 579 . 1 1 52 52 ILE HG12 H 1 1.068 0.020 . 1 . . . . 52 ILE HG12 . 18155 1 580 . 1 1 52 52 ILE HG13 H 1 1.068 0.020 . 1 . . . . 52 ILE HG13 . 18155 1 581 . 1 1 52 52 ILE HG21 H 1 0.718 0.020 . 1 . . . . 52 ILE HG2 . 18155 1 582 . 1 1 52 52 ILE HG22 H 1 0.718 0.020 . 1 . . . . 52 ILE HG2 . 18155 1 583 . 1 1 52 52 ILE HG23 H 1 0.718 0.020 . 1 . . . . 52 ILE HG2 . 18155 1 584 . 1 1 52 52 ILE HD11 H 1 1.068 0.020 . 1 . . . . 52 ILE HD1 . 18155 1 585 . 1 1 52 52 ILE HD12 H 1 1.068 0.020 . 1 . . . . 52 ILE HD1 . 18155 1 586 . 1 1 52 52 ILE HD13 H 1 1.068 0.020 . 1 . . . . 52 ILE HD1 . 18155 1 587 . 1 1 52 52 ILE C C 13 174.343 0.3 . 1 . . . . 52 ILE C . 18155 1 588 . 1 1 52 52 ILE CA C 13 61.263 0.3 . 1 . . . . 52 ILE CA . 18155 1 589 . 1 1 52 52 ILE CB C 13 41.218 0.3 . 1 . . . . 52 ILE CB . 18155 1 590 . 1 1 52 52 ILE CG1 C 13 28.208 0.3 . 1 . . . . 52 ILE CG1 . 18155 1 591 . 1 1 52 52 ILE CG2 C 13 18.182 0.3 . 1 . . . . 52 ILE CG2 . 18155 1 592 . 1 1 52 52 ILE CD1 C 13 15.019 0.3 . 1 . . . . 52 ILE CD1 . 18155 1 593 . 1 1 52 52 ILE N N 15 126.157 0.3 . 1 . . . . 52 ILE N . 18155 1 594 . 1 1 53 53 ILE H H 1 8.581 0.020 . 1 . . . . 53 ILE H . 18155 1 595 . 1 1 53 53 ILE HA H 1 4.699 0.020 . 1 . . . . 53 ILE HA . 18155 1 596 . 1 1 53 53 ILE HB H 1 1.487 0.020 . 1 . . . . 53 ILE HB . 18155 1 597 . 1 1 53 53 ILE HG12 H 1 1.197 0.020 . 2 . . . . 53 ILE HG12 . 18155 1 598 . 1 1 53 53 ILE HG13 H 1 1.487 0.020 . 2 . . . . 53 ILE HG13 . 18155 1 599 . 1 1 53 53 ILE HG21 H 1 0.843 0.020 . 1 . . . . 53 ILE HG2 . 18155 1 600 . 1 1 53 53 ILE HG22 H 1 0.843 0.020 . 1 . . . . 53 ILE HG2 . 18155 1 601 . 1 1 53 53 ILE HG23 H 1 0.843 0.020 . 1 . . . . 53 ILE HG2 . 18155 1 602 . 1 1 53 53 ILE HD11 H 1 0.588 0.020 . 1 . . . . 53 ILE HD1 . 18155 1 603 . 1 1 53 53 ILE HD12 H 1 0.588 0.020 . 1 . . . . 53 ILE HD1 . 18155 1 604 . 1 1 53 53 ILE HD13 H 1 0.588 0.020 . 1 . . . . 53 ILE HD1 . 18155 1 605 . 1 1 53 53 ILE C C 13 175.256 0.3 . 1 . . . . 53 ILE C . 18155 1 606 . 1 1 53 53 ILE CA C 13 59.612 0.3 . 1 . . . . 53 ILE CA . 18155 1 607 . 1 1 53 53 ILE CB C 13 41.342 0.3 . 1 . . . . 53 ILE CB . 18155 1 608 . 1 1 53 53 ILE CG1 C 13 27.183 0.3 . 1 . . . . 53 ILE CG1 . 18155 1 609 . 1 1 53 53 ILE CG2 C 13 17.040 0.3 . 1 . . . . 53 ILE CG2 . 18155 1 610 . 1 1 53 53 ILE CD1 C 13 13.106 0.3 . 1 . . . . 53 ILE CD1 . 18155 1 611 . 1 1 53 53 ILE N N 15 125.230 0.3 . 1 . . . . 53 ILE N . 18155 1 612 . 1 1 54 54 ILE H H 1 9.769 0.020 . 1 . . . . 54 ILE H . 18155 1 613 . 1 1 54 54 ILE HA H 1 5.028 0.020 . 1 . . . . 54 ILE HA . 18155 1 614 . 1 1 54 54 ILE HB H 1 1.786 0.020 . 1 . . . . 54 ILE HB . 18155 1 615 . 1 1 54 54 ILE HG12 H 1 1.445 0.020 . 1 . . . . 54 ILE HG12 . 18155 1 616 . 1 1 54 54 ILE HG13 H 1 1.445 0.020 . 1 . . . . 54 ILE HG13 . 18155 1 617 . 1 1 54 54 ILE HG21 H 1 1.064 0.020 . 1 . . . . 54 ILE HG2 . 18155 1 618 . 1 1 54 54 ILE HG22 H 1 1.064 0.020 . 1 . . . . 54 ILE HG2 . 18155 1 619 . 1 1 54 54 ILE HG23 H 1 1.064 0.020 . 1 . . . . 54 ILE HG2 . 18155 1 620 . 1 1 54 54 ILE HD11 H 1 0.952 0.020 . 1 . . . . 54 ILE HD1 . 18155 1 621 . 1 1 54 54 ILE HD12 H 1 0.952 0.020 . 1 . . . . 54 ILE HD1 . 18155 1 622 . 1 1 54 54 ILE HD13 H 1 0.952 0.020 . 1 . . . . 54 ILE HD1 . 18155 1 623 . 1 1 54 54 ILE C C 13 175.824 0.3 . 1 . . . . 54 ILE C . 18155 1 624 . 1 1 54 54 ILE CA C 13 60.319 0.3 . 1 . . . . 54 ILE CA . 18155 1 625 . 1 1 54 54 ILE CB C 13 41.053 0.3 . 1 . . . . 54 ILE CB . 18155 1 626 . 1 1 54 54 ILE CG1 C 13 29.222 0.3 . 1 . . . . 54 ILE CG1 . 18155 1 627 . 1 1 54 54 ILE CG2 C 13 18.199 0.3 . 1 . . . . 54 ILE CG2 . 18155 1 628 . 1 1 54 54 ILE CD1 C 13 14.115 0.3 . 1 . . . . 54 ILE CD1 . 18155 1 629 . 1 1 54 54 ILE N N 15 131.456 0.3 . 1 . . . . 54 ILE N . 18155 1 630 . 1 1 55 55 THR H H 1 8.730 0.020 . 1 . . . . 55 THR H . 18155 1 631 . 1 1 55 55 THR HA H 1 4.818 0.020 . 1 . . . . 55 THR HA . 18155 1 632 . 1 1 55 55 THR HB H 1 4.090 0.020 . 1 . . . . 55 THR HB . 18155 1 633 . 1 1 55 55 THR HG21 H 1 1.234 0.020 . 1 . . . . 55 THR HG2 . 18155 1 634 . 1 1 55 55 THR HG22 H 1 1.234 0.020 . 1 . . . . 55 THR HG2 . 18155 1 635 . 1 1 55 55 THR HG23 H 1 1.234 0.020 . 1 . . . . 55 THR HG2 . 18155 1 636 . 1 1 55 55 THR C C 13 174.019 0.3 . 1 . . . . 55 THR C . 18155 1 637 . 1 1 55 55 THR CA C 13 60.480 0.3 . 1 . . . . 55 THR CA . 18155 1 638 . 1 1 55 55 THR CB C 13 70.738 0.3 . 1 . . . . 55 THR CB . 18155 1 639 . 1 1 55 55 THR CG2 C 13 21.387 0.3 . 1 . . . . 55 THR CG2 . 18155 1 640 . 1 1 55 55 THR N N 15 121.930 0.3 . 1 . . . . 55 THR N . 18155 1 641 . 1 1 56 56 SER H H 1 9.253 0.020 . 1 . . . . 56 SER H . 18155 1 642 . 1 1 56 56 SER HA H 1 5.893 0.020 . 1 . . . . 56 SER HA . 18155 1 643 . 1 1 56 56 SER HB2 H 1 3.863 0.020 . 1 . . . . 56 SER HB2 . 18155 1 644 . 1 1 56 56 SER HB3 H 1 3.863 0.020 . 1 . . . . 56 SER HB3 . 18155 1 645 . 1 1 56 56 SER C C 13 173.775 0.3 . 1 . . . . 56 SER C . 18155 1 646 . 1 1 56 56 SER CA C 13 56.839 0.3 . 1 . . . . 56 SER CA . 18155 1 647 . 1 1 56 56 SER CB C 13 65.068 0.3 . 1 . . . . 56 SER CB . 18155 1 648 . 1 1 56 56 SER N N 15 123.185 0.3 . 1 . . . . 56 SER N . 18155 1 649 . 1 1 57 57 THR H H 1 9.265 0.020 . 1 . . . . 57 THR H . 18155 1 650 . 1 1 57 57 THR HA H 1 4.687 0.020 . 1 . . . . 57 THR HA . 18155 1 651 . 1 1 57 57 THR HB H 1 4.016 0.020 . 1 . . . . 57 THR HB . 18155 1 652 . 1 1 57 57 THR HG21 H 1 1.195 0.020 . 1 . . . . 57 THR HG2 . 18155 1 653 . 1 1 57 57 THR HG22 H 1 1.195 0.020 . 1 . . . . 57 THR HG2 . 18155 1 654 . 1 1 57 57 THR HG23 H 1 1.195 0.020 . 1 . . . . 57 THR HG2 . 18155 1 655 . 1 1 57 57 THR C C 13 172.924 0.3 . 1 . . . . 57 THR C . 18155 1 656 . 1 1 57 57 THR CA C 13 61.583 0.3 . 1 . . . . 57 THR CA . 18155 1 657 . 1 1 57 57 THR CB C 13 71.996 0.3 . 1 . . . . 57 THR CB . 18155 1 658 . 1 1 57 57 THR CG2 C 13 21.249 0.3 . 1 . . . . 57 THR CG2 . 18155 1 659 . 1 1 57 57 THR N N 15 119.552 0.3 . 1 . . . . 57 THR N . 18155 1 660 . 1 1 58 58 ILE H H 1 8.862 0.020 . 1 . . . . 58 ILE H . 18155 1 661 . 1 1 58 58 ILE HA H 1 5.174 0.020 . 1 . . . . 58 ILE HA . 18155 1 662 . 1 1 58 58 ILE HB H 1 1.710 0.020 . 1 . . . . 58 ILE HB . 18155 1 663 . 1 1 58 58 ILE HG12 H 1 1.254 0.020 . 1 . . . . 58 ILE HG12 . 18155 1 664 . 1 1 58 58 ILE HG13 H 1 1.254 0.020 . 1 . . . . 58 ILE HG13 . 18155 1 665 . 1 1 58 58 ILE HG21 H 1 0.880 0.020 . 1 . . . . 58 ILE HG2 . 18155 1 666 . 1 1 58 58 ILE HG22 H 1 0.880 0.020 . 1 . . . . 58 ILE HG2 . 18155 1 667 . 1 1 58 58 ILE HG23 H 1 0.880 0.020 . 1 . . . . 58 ILE HG2 . 18155 1 668 . 1 1 58 58 ILE HD11 H 1 0.900 0.020 . 1 . . . . 58 ILE HD1 . 18155 1 669 . 1 1 58 58 ILE HD12 H 1 0.900 0.020 . 1 . . . . 58 ILE HD1 . 18155 1 670 . 1 1 58 58 ILE HD13 H 1 0.900 0.020 . 1 . . . . 58 ILE HD1 . 18155 1 671 . 1 1 58 58 ILE C C 13 176.107 0.3 . 1 . . . . 58 ILE C . 18155 1 672 . 1 1 58 58 ILE CA C 13 60.162 0.3 . 1 . . . . 58 ILE CA . 18155 1 673 . 1 1 58 58 ILE CB C 13 40.478 0.3 . 1 . . . . 58 ILE CB . 18155 1 674 . 1 1 58 58 ILE CG1 C 13 28.121 0.3 . 1 . . . . 58 ILE CG1 . 18155 1 675 . 1 1 58 58 ILE CG2 C 13 18.041 0.3 . 1 . . . . 58 ILE CG2 . 18155 1 676 . 1 1 58 58 ILE CD1 C 13 13.919 0.3 . 1 . . . . 58 ILE CD1 . 18155 1 677 . 1 1 58 58 ILE N N 15 127.900 0.3 . 1 . . . . 58 ILE N . 18155 1 678 . 1 1 59 59 THR H H 1 9.058 0.020 . 1 . . . . 59 THR H . 18155 1 679 . 1 1 59 59 THR HA H 1 4.611 0.020 . 1 . . . . 59 THR HA . 18155 1 680 . 1 1 59 59 THR HB H 1 4.032 0.020 . 1 . . . . 59 THR HB . 18155 1 681 . 1 1 59 59 THR HG21 H 1 1.182 0.020 . 1 . . . . 59 THR HG2 . 18155 1 682 . 1 1 59 59 THR HG22 H 1 1.182 0.020 . 1 . . . . 59 THR HG2 . 18155 1 683 . 1 1 59 59 THR HG23 H 1 1.182 0.020 . 1 . . . . 59 THR HG2 . 18155 1 684 . 1 1 59 59 THR C C 13 172.964 0.3 . 1 . . . . 59 THR C . 18155 1 685 . 1 1 59 59 THR CA C 13 60.809 0.3 . 1 . . . . 59 THR CA . 18155 1 686 . 1 1 59 59 THR CB C 13 70.582 0.3 . 1 . . . . 59 THR CB . 18155 1 687 . 1 1 59 59 THR CG2 C 13 21.249 0.3 . 1 . . . . 59 THR CG2 . 18155 1 688 . 1 1 59 59 THR N N 15 122.955 0.3 . 1 . . . . 59 THR N . 18155 1 689 . 1 1 60 60 LYS H H 1 8.967 0.020 . 1 . . . . 60 LYS H . 18155 1 690 . 1 1 60 60 LYS HA H 1 4.746 0.020 . 1 . . . . 60 LYS HA . 18155 1 691 . 1 1 60 60 LYS HB2 H 1 1.672 0.020 . 2 . . . . 60 LYS HB2 . 18155 1 692 . 1 1 60 60 LYS HB3 H 1 1.607 0.020 . 2 . . . . 60 LYS HB3 . 18155 1 693 . 1 1 60 60 LYS HG2 H 1 1.109 0.020 . 1 . . . . 60 LYS HG2 . 18155 1 694 . 1 1 60 60 LYS HG3 H 1 1.109 0.020 . 1 . . . . 60 LYS HG3 . 18155 1 695 . 1 1 60 60 LYS HD2 H 1 1.607 0.020 . 1 . . . . 60 LYS HD2 . 18155 1 696 . 1 1 60 60 LYS HD3 H 1 1.607 0.020 . 1 . . . . 60 LYS HD3 . 18155 1 697 . 1 1 60 60 LYS HE2 H 1 2.895 0.020 . 1 . . . . 60 LYS HE2 . 18155 1 698 . 1 1 60 60 LYS HE3 H 1 2.895 0.020 . 1 . . . . 60 LYS HE3 . 18155 1 699 . 1 1 60 60 LYS C C 13 175.337 0.3 . 1 . . . . 60 LYS C . 18155 1 700 . 1 1 60 60 LYS CA C 13 55.162 0.3 . 1 . . . . 60 LYS CA . 18155 1 701 . 1 1 60 60 LYS CB C 13 34.296 0.3 . 1 . . . . 60 LYS CB . 18155 1 702 . 1 1 60 60 LYS CG C 13 24.626 0.3 . 1 . . . . 60 LYS CG . 18155 1 703 . 1 1 60 60 LYS CD C 13 29.185 0.3 . 1 . . . . 60 LYS CD . 18155 1 704 . 1 1 60 60 LYS CE C 13 41.675 0.3 . 1 . . . . 60 LYS CE . 18155 1 705 . 1 1 60 60 LYS N N 15 128.450 0.3 . 1 . . . . 60 LYS N . 18155 1 706 . 1 1 61 61 ASP H H 1 8.791 0.020 . 1 . . . . 61 ASP H . 18155 1 707 . 1 1 61 61 ASP HA H 1 4.646 0.020 . 1 . . . . 61 ASP HA . 18155 1 708 . 1 1 61 61 ASP HB2 H 1 3.156 0.020 . 2 . . . . 61 ASP HB2 . 18155 1 709 . 1 1 61 61 ASP HB3 H 1 2.552 0.020 . 2 . . . . 61 ASP HB3 . 18155 1 710 . 1 1 61 61 ASP C C 13 177.365 0.3 . 1 . . . . 61 ASP C . 18155 1 711 . 1 1 61 61 ASP CA C 13 53.983 0.3 . 1 . . . . 61 ASP CA . 18155 1 712 . 1 1 61 61 ASP CB C 13 42.757 0.3 . 1 . . . . 61 ASP CB . 18155 1 713 . 1 1 61 61 ASP N N 15 128.233 0.3 . 1 . . . . 61 ASP N . 18155 1 714 . 1 1 62 62 LYS H H 1 8.922 0.020 . 1 . . . . 62 LYS H . 18155 1 715 . 1 1 62 62 LYS HA H 1 3.998 0.020 . 1 . . . . 62 LYS HA . 18155 1 716 . 1 1 62 62 LYS HB2 H 1 1.884 0.020 . 1 . . . . 62 LYS HB2 . 18155 1 717 . 1 1 62 62 LYS HB3 H 1 1.884 0.020 . 1 . . . . 62 LYS HB3 . 18155 1 718 . 1 1 62 62 LYS HG2 H 1 1.517 0.020 . 1 . . . . 62 LYS HG2 . 18155 1 719 . 1 1 62 62 LYS HG3 H 1 1.517 0.020 . 1 . . . . 62 LYS HG3 . 18155 1 720 . 1 1 62 62 LYS HD2 H 1 1.709 0.020 . 1 . . . . 62 LYS HD2 . 18155 1 721 . 1 1 62 62 LYS HD3 H 1 1.709 0.020 . 1 . . . . 62 LYS HD3 . 18155 1 722 . 1 1 62 62 LYS HE2 H 1 3.008 0.020 . 1 . . . . 62 LYS HE2 . 18155 1 723 . 1 1 62 62 LYS HE3 H 1 3.008 0.020 . 1 . . . . 62 LYS HE3 . 18155 1 724 . 1 1 62 62 LYS C C 13 176.939 0.3 . 1 . . . . 62 LYS C . 18155 1 725 . 1 1 62 62 LYS CA C 13 58.568 0.3 . 1 . . . . 62 LYS CA . 18155 1 726 . 1 1 62 62 LYS CB C 13 32.540 0.3 . 1 . . . . 62 LYS CB . 18155 1 727 . 1 1 62 62 LYS CG C 13 25.057 0.3 . 1 . . . . 62 LYS CG . 18155 1 728 . 1 1 62 62 LYS CD C 13 28.974 0.3 . 1 . . . . 62 LYS CD . 18155 1 729 . 1 1 62 62 LYS CE C 13 41.712 0.3 . 1 . . . . 62 LYS CE . 18155 1 730 . 1 1 62 62 LYS N N 15 126.916 0.3 . 1 . . . . 62 LYS N . 18155 1 731 . 1 1 63 63 ILE H H 1 8.592 0.020 . 1 . . . . 63 ILE H . 18155 1 732 . 1 1 63 63 ILE HA H 1 4.023 0.020 . 1 . . . . 63 ILE HA . 18155 1 733 . 1 1 63 63 ILE HB H 1 2.210 0.020 . 1 . . . . 63 ILE HB . 18155 1 734 . 1 1 63 63 ILE HG12 H 1 1.550 0.020 . 2 . . . . 63 ILE HG12 . 18155 1 735 . 1 1 63 63 ILE HG13 H 1 1.292 0.020 . 2 . . . . 63 ILE HG13 . 18155 1 736 . 1 1 63 63 ILE HG21 H 1 0.880 0.020 . 1 . . . . 63 ILE HG2 . 18155 1 737 . 1 1 63 63 ILE HG22 H 1 0.880 0.020 . 1 . . . . 63 ILE HG2 . 18155 1 738 . 1 1 63 63 ILE HG23 H 1 0.880 0.020 . 1 . . . . 63 ILE HG2 . 18155 1 739 . 1 1 63 63 ILE HD11 H 1 0.851 0.020 . 1 . . . . 63 ILE HD1 . 18155 1 740 . 1 1 63 63 ILE HD12 H 1 0.851 0.020 . 1 . . . . 63 ILE HD1 . 18155 1 741 . 1 1 63 63 ILE HD13 H 1 0.851 0.020 . 1 . . . . 63 ILE HD1 . 18155 1 742 . 1 1 63 63 ILE C C 13 178.277 0.3 . 1 . . . . 63 ILE C . 18155 1 743 . 1 1 63 63 ILE CA C 13 62.691 0.3 . 1 . . . . 63 ILE CA . 18155 1 744 . 1 1 63 63 ILE CB C 13 36.804 0.3 . 1 . . . . 63 ILE CB . 18155 1 745 . 1 1 63 63 ILE CG1 C 13 27.819 0.3 . 1 . . . . 63 ILE CG1 . 18155 1 746 . 1 1 63 63 ILE CG2 C 13 17.156 0.3 . 1 . . . . 63 ILE CG2 . 18155 1 747 . 1 1 63 63 ILE CD1 C 13 11.210 0.3 . 1 . . . . 63 ILE CD1 . 18155 1 748 . 1 1 63 63 ILE N N 15 119.149 0.3 . 1 . . . . 63 ILE N . 18155 1 749 . 1 1 64 64 THR H H 1 8.362 0.020 . 1 . . . . 64 THR H . 18155 1 750 . 1 1 64 64 THR HA H 1 4.225 0.020 . 1 . . . . 64 THR HA . 18155 1 751 . 1 1 64 64 THR HB H 1 4.275 0.020 . 1 . . . . 64 THR HB . 18155 1 752 . 1 1 64 64 THR HG21 H 1 1.249 0.020 . 1 . . . . 64 THR HG2 . 18155 1 753 . 1 1 64 64 THR HG22 H 1 1.249 0.020 . 1 . . . . 64 THR HG2 . 18155 1 754 . 1 1 64 64 THR HG23 H 1 1.249 0.020 . 1 . . . . 64 THR HG2 . 18155 1 755 . 1 1 64 64 THR C C 13 176.797 0.3 . 1 . . . . 64 THR C . 18155 1 756 . 1 1 64 64 THR CA C 13 62.361 0.3 . 1 . . . . 64 THR CA . 18155 1 757 . 1 1 64 64 THR CB C 13 70.289 0.3 . 1 . . . . 64 THR CB . 18155 1 758 . 1 1 64 64 THR CG2 C 13 20.922 0.3 . 1 . . . . 64 THR CG2 . 18155 1 759 . 1 1 64 64 THR N N 15 109.017 0.3 . 1 . . . . 64 THR N . 18155 1 760 . 1 1 65 65 GLY H H 1 8.151 0.020 . 1 . . . . 65 GLY H . 18155 1 761 . 1 1 65 65 GLY HA2 H 1 4.158 0.020 . 2 . . . . 65 GLY HA2 . 18155 1 762 . 1 1 65 65 GLY HA3 H 1 3.686 0.020 . 2 . . . . 65 GLY HA3 . 18155 1 763 . 1 1 65 65 GLY C C 13 173.431 0.3 . 1 . . . . 65 GLY C . 18155 1 764 . 1 1 65 65 GLY CA C 13 45.623 0.3 . 1 . . . . 65 GLY CA . 18155 1 765 . 1 1 65 65 GLY N N 15 109.809 0.3 . 1 . . . . 65 GLY N . 18155 1 766 . 1 1 66 66 LEU H H 1 7.877 0.020 . 1 . . . . 66 LEU H . 18155 1 767 . 1 1 66 66 LEU HA H 1 4.355 0.020 . 1 . . . . 66 LEU HA . 18155 1 768 . 1 1 66 66 LEU HB2 H 1 1.121 0.020 . 2 . . . . 66 LEU HB2 . 18155 1 769 . 1 1 66 66 LEU HB3 H 1 1.830 0.020 . 2 . . . . 66 LEU HB3 . 18155 1 770 . 1 1 66 66 LEU HG H 1 1.477 0.020 . 1 . . . . 66 LEU HG . 18155 1 771 . 1 1 66 66 LEU HD11 H 1 0.777 0.020 . 1 . . . . 66 LEU HD1 . 18155 1 772 . 1 1 66 66 LEU HD12 H 1 0.777 0.020 . 1 . . . . 66 LEU HD1 . 18155 1 773 . 1 1 66 66 LEU HD13 H 1 0.777 0.020 . 1 . . . . 66 LEU HD1 . 18155 1 774 . 1 1 66 66 LEU HD21 H 1 0.647 0.020 . 1 . . . . 66 LEU HD2 . 18155 1 775 . 1 1 66 66 LEU HD22 H 1 0.647 0.020 . 1 . . . . 66 LEU HD2 . 18155 1 776 . 1 1 66 66 LEU HD23 H 1 0.647 0.020 . 1 . . . . 66 LEU HD2 . 18155 1 777 . 1 1 66 66 LEU C C 13 176.189 0.3 . 1 . . . . 66 LEU C . 18155 1 778 . 1 1 66 66 LEU CA C 13 54.335 0.3 . 1 . . . . 66 LEU CA . 18155 1 779 . 1 1 66 66 LEU CB C 13 42.772 0.3 . 1 . . . . 66 LEU CB . 18155 1 780 . 1 1 66 66 LEU CG C 13 26.242 0.3 . 1 . . . . 66 LEU CG . 18155 1 781 . 1 1 66 66 LEU CD1 C 13 24.832 0.3 . 1 . . . . 66 LEU CD1 . 18155 1 782 . 1 1 66 66 LEU CD2 C 13 22.750 0.3 . 1 . . . . 66 LEU CD2 . 18155 1 783 . 1 1 66 66 LEU N N 15 120.261 0.3 . 1 . . . . 66 LEU N . 18155 1 784 . 1 1 67 67 SER H H 1 9.265 0.020 . 1 . . . . 67 SER H . 18155 1 785 . 1 1 67 67 SER HA H 1 5.579 0.020 . 1 . . . . 67 SER HA . 18155 1 786 . 1 1 67 67 SER HB2 H 1 3.605 0.020 . 1 . . . . 67 SER HB2 . 18155 1 787 . 1 1 67 67 SER HB3 H 1 3.605 0.020 . 1 . . . . 67 SER HB3 . 18155 1 788 . 1 1 67 67 SER C C 13 173.694 0.3 . 1 . . . . 67 SER C . 18155 1 789 . 1 1 67 67 SER CA C 13 58.900 0.3 . 1 . . . . 67 SER CA . 18155 1 790 . 1 1 67 67 SER CB C 13 66.480 0.3 . 1 . . . . 67 SER CB . 18155 1 791 . 1 1 67 67 SER N N 15 115.917 0.3 . 1 . . . . 67 SER N . 18155 1 792 . 1 1 68 68 SER H H 1 9.082 0.020 . 1 . . . . 68 SER H . 18155 1 793 . 1 1 68 68 SER HA H 1 5.566 0.020 . 1 . . . . 68 SER HA . 18155 1 794 . 1 1 68 68 SER HB2 H 1 3.865 0.020 . 1 . . . . 68 SER HB2 . 18155 1 795 . 1 1 68 68 SER HB3 H 1 3.865 0.020 . 1 . . . . 68 SER HB3 . 18155 1 796 . 1 1 68 68 SER C C 13 173.674 0.3 . 1 . . . . 68 SER C . 18155 1 797 . 1 1 68 68 SER CA C 13 55.613 0.3 . 1 . . . . 68 SER CA . 18155 1 798 . 1 1 68 68 SER CB C 13 65.210 0.3 . 1 . . . . 68 SER CB . 18155 1 799 . 1 1 68 68 SER N N 15 118.716 0.3 . 1 . . . . 68 SER N . 18155 1 800 . 1 1 69 69 THR H H 1 8.966 0.020 . 1 . . . . 69 THR H . 18155 1 801 . 1 1 69 69 THR HA H 1 5.110 0.020 . 1 . . . . 69 THR HA . 18155 1 802 . 1 1 69 69 THR HB H 1 3.701 0.020 . 1 . . . . 69 THR HB . 18155 1 803 . 1 1 69 69 THR HG21 H 1 1.255 0.020 . 1 . . . . 69 THR HG2 . 18155 1 804 . 1 1 69 69 THR HG22 H 1 1.255 0.020 . 1 . . . . 69 THR HG2 . 18155 1 805 . 1 1 69 69 THR HG23 H 1 1.255 0.020 . 1 . . . . 69 THR HG2 . 18155 1 806 . 1 1 69 69 THR C C 13 171.849 0.3 . 1 . . . . 69 THR C . 18155 1 807 . 1 1 69 69 THR CA C 13 60.951 0.3 . 1 . . . . 69 THR CA . 18155 1 808 . 1 1 69 69 THR CB C 13 70.157 0.3 . 1 . . . . 69 THR CB . 18155 1 809 . 1 1 69 69 THR CG2 C 13 22.613 0.3 . 1 . . . . 69 THR CG2 . 18155 1 810 . 1 1 69 69 THR N N 15 120.871 0.3 . 1 . . . . 69 THR N . 18155 1 811 . 1 1 70 70 SER H H 1 8.819 0.020 . 1 . . . . 70 SER H . 18155 1 812 . 1 1 70 70 SER HA H 1 5.621 0.020 . 1 . . . . 70 SER HA . 18155 1 813 . 1 1 70 70 SER HB2 H 1 3.674 0.020 . 2 . . . . 70 SER HB2 . 18155 1 814 . 1 1 70 70 SER HB3 H 1 3.775 0.020 . 2 . . . . 70 SER HB3 . 18155 1 815 . 1 1 70 70 SER C C 13 174.161 0.3 . 1 . . . . 70 SER C . 18155 1 816 . 1 1 70 70 SER CA C 13 55.419 0.3 . 1 . . . . 70 SER CA . 18155 1 817 . 1 1 70 70 SER CB C 13 64.259 0.3 . 1 . . . . 70 SER CB . 18155 1 818 . 1 1 70 70 SER N N 15 120.579 0.3 . 1 . . . . 70 SER N . 18155 1 819 . 1 1 71 71 SER H H 1 9.551 0.020 . 1 . . . . 71 SER H . 18155 1 820 . 1 1 71 71 SER HA H 1 5.548 0.020 . 1 . . . . 71 SER HA . 18155 1 821 . 1 1 71 71 SER HB2 H 1 3.667 0.020 . 2 . . . . 71 SER HB2 . 18155 1 822 . 1 1 71 71 SER HB3 H 1 3.848 0.020 . 2 . . . . 71 SER HB3 . 18155 1 823 . 1 1 71 71 SER C C 13 174.566 0.3 . 1 . . . . 71 SER C . 18155 1 824 . 1 1 71 71 SER CA C 13 55.911 0.3 . 1 . . . . 71 SER CA . 18155 1 825 . 1 1 71 71 SER CB C 13 64.761 0.3 . 1 . . . . 71 SER CB . 18155 1 826 . 1 1 71 71 SER N N 15 120.166 0.3 . 1 . . . . 71 SER N . 18155 1 827 . 1 1 72 72 ARG H H 1 9.346 0.020 . 1 . . . . 72 ARG H . 18155 1 828 . 1 1 72 72 ARG HA H 1 5.111 0.020 . 1 . . . . 72 ARG HA . 18155 1 829 . 1 1 72 72 ARG HB2 H 1 1.868 0.020 . 1 . . . . 72 ARG HB2 . 18155 1 830 . 1 1 72 72 ARG HB3 H 1 1.868 0.020 . 1 . . . . 72 ARG HB3 . 18155 1 831 . 1 1 72 72 ARG HG2 H 1 1.420 0.020 . 1 . . . . 72 ARG HG2 . 18155 1 832 . 1 1 72 72 ARG HG3 H 1 1.420 0.020 . 1 . . . . 72 ARG HG3 . 18155 1 833 . 1 1 72 72 ARG HD2 H 1 3.151 0.020 . 1 . . . . 72 ARG HD2 . 18155 1 834 . 1 1 72 72 ARG HD3 H 1 3.151 0.020 . 1 . . . . 72 ARG HD3 . 18155 1 835 . 1 1 72 72 ARG C C 13 173.877 0.3 . 1 . . . . 72 ARG C . 18155 1 836 . 1 1 72 72 ARG CA C 13 55.575 0.3 . 1 . . . . 72 ARG CA . 18155 1 837 . 1 1 72 72 ARG CB C 13 32.289 0.3 . 1 . . . . 72 ARG CB . 18155 1 838 . 1 1 72 72 ARG CG C 13 27.667 0.3 . 1 . . . . 72 ARG CG . 18155 1 839 . 1 1 72 72 ARG CD C 13 43.368 0.3 . 1 . . . . 72 ARG CD . 18155 1 840 . 1 1 72 72 ARG N N 15 130.517 0.3 . 1 . . . . 72 ARG N . 18155 1 841 . 1 1 73 73 LEU H H 1 7.901 0.020 . 1 . . . . 73 LEU H . 18155 1 842 . 1 1 73 73 LEU HA H 1 4.663 0.020 . 1 . . . . 73 LEU HA . 18155 1 843 . 1 1 73 73 LEU HB2 H 1 -0.789 0.020 . 2 . . . . 73 LEU HB2 . 18155 1 844 . 1 1 73 73 LEU HB3 H 1 0.316 0.020 . 2 . . . . 73 LEU HB3 . 18155 1 845 . 1 1 73 73 LEU HG H 1 -0.155 0.020 . 1 . . . . 73 LEU HG . 18155 1 846 . 1 1 73 73 LEU HD11 H 1 0.481 0.020 . 1 . . . . 73 LEU HD1 . 18155 1 847 . 1 1 73 73 LEU HD12 H 1 0.481 0.020 . 1 . . . . 73 LEU HD1 . 18155 1 848 . 1 1 73 73 LEU HD13 H 1 0.481 0.020 . 1 . . . . 73 LEU HD1 . 18155 1 849 . 1 1 73 73 LEU HD21 H 1 0.668 0.020 . 1 . . . . 73 LEU HD2 . 18155 1 850 . 1 1 73 73 LEU HD22 H 1 0.668 0.020 . 1 . . . . 73 LEU HD2 . 18155 1 851 . 1 1 73 73 LEU HD23 H 1 0.668 0.020 . 1 . . . . 73 LEU HD2 . 18155 1 852 . 1 1 73 73 LEU C C 13 174.891 0.3 . 1 . . . . 73 LEU C . 18155 1 853 . 1 1 73 73 LEU CA C 13 53.054 0.3 . 1 . . . . 73 LEU CA . 18155 1 854 . 1 1 73 73 LEU CB C 13 41.855 0.3 . 1 . . . . 73 LEU CB . 18155 1 855 . 1 1 73 73 LEU CG C 13 26.856 0.3 . 1 . . . . 73 LEU CG . 18155 1 856 . 1 1 73 73 LEU CD1 C 13 24.249 0.3 . 1 . . . . 73 LEU CD1 . 18155 1 857 . 1 1 73 73 LEU CD2 C 13 26.870 0.3 . 1 . . . . 73 LEU CD2 . 18155 1 858 . 1 1 73 73 LEU N N 15 125.638 0.3 . 1 . . . . 73 LEU N . 18155 1 859 . 1 1 74 74 GLN H H 1 9.211 0.020 . 1 . . . . 74 GLN H . 18155 1 860 . 1 1 74 74 GLN HA H 1 4.956 0.020 . 1 . . . . 74 GLN HA . 18155 1 861 . 1 1 74 74 GLN HB2 H 1 1.972 0.020 . 2 . . . . 74 GLN HB2 . 18155 1 862 . 1 1 74 74 GLN HB3 H 1 1.645 0.020 . 2 . . . . 74 GLN HB3 . 18155 1 863 . 1 1 74 74 GLN HG2 H 1 1.919 0.020 . 2 . . . . 74 GLN HG2 . 18155 1 864 . 1 1 74 74 GLN HG3 H 1 2.169 0.020 . 2 . . . . 74 GLN HG3 . 18155 1 865 . 1 1 74 74 GLN HE21 H 1 7.643 0.020 . 1 . . . . 74 GLN HE21 . 18155 1 866 . 1 1 74 74 GLN HE22 H 1 6.771 0.020 . 1 . . . . 74 GLN HE22 . 18155 1 867 . 1 1 74 74 GLN C C 13 172.985 0.3 . 1 . . . . 74 GLN C . 18155 1 868 . 1 1 74 74 GLN CA C 13 54.345 0.3 . 1 . . . . 74 GLN CA . 18155 1 869 . 1 1 74 74 GLN CB C 13 31.141 0.3 . 1 . . . . 74 GLN CB . 18155 1 870 . 1 1 74 74 GLN CG C 13 34.498 0.3 . 1 . . . . 74 GLN CG . 18155 1 871 . 1 1 74 74 GLN CD C 13 179.048 0.3 . 1 . . . . 74 GLN CD . 18155 1 872 . 1 1 74 74 GLN N N 15 127.095 0.3 . 1 . . . . 74 GLN N . 18155 1 873 . 1 1 74 74 GLN NE2 N 15 111.157 0.3 . 1 . . . . 74 GLN NE2 . 18155 1 874 . 1 1 75 75 TYR H H 1 8.924 0.020 . 1 . . . . 75 TYR H . 18155 1 875 . 1 1 75 75 TYR HA H 1 4.919 0.020 . 1 . . . . 75 TYR HA . 18155 1 876 . 1 1 75 75 TYR HB2 H 1 2.475 0.020 . 2 . . . . 75 TYR HB2 . 18155 1 877 . 1 1 75 75 TYR HB3 H 1 2.169 0.020 . 2 . . . . 75 TYR HB3 . 18155 1 878 . 1 1 75 75 TYR HD1 H 1 6.727 0.020 . 3 . . . . 75 TYR HD1 . 18155 1 879 . 1 1 75 75 TYR HD2 H 1 6.727 0.020 . 3 . . . . 75 TYR HD2 . 18155 1 880 . 1 1 75 75 TYR HE1 H 1 6.832 0.020 . 3 . . . . 75 TYR HE1 . 18155 1 881 . 1 1 75 75 TYR HE2 H 1 6.832 0.020 . 3 . . . . 75 TYR HE2 . 18155 1 882 . 1 1 75 75 TYR C C 13 173.451 0.3 . 1 . . . . 75 TYR C . 18155 1 883 . 1 1 75 75 TYR CA C 13 57.479 0.3 . 1 . . . . 75 TYR CA . 18155 1 884 . 1 1 75 75 TYR CB C 13 44.988 0.3 . 1 . . . . 75 TYR CB . 18155 1 885 . 1 1 75 75 TYR CD1 C 13 131.936 0.3 . 3 . . . . 75 TYR CD1 . 18155 1 886 . 1 1 75 75 TYR CD2 C 13 131.936 0.3 . 3 . . . . 75 TYR CD2 . 18155 1 887 . 1 1 75 75 TYR CE1 C 13 118.212 0.3 . 3 . . . . 75 TYR CE1 . 18155 1 888 . 1 1 75 75 TYR CE2 C 13 118.212 0.3 . 3 . . . . 75 TYR CE2 . 18155 1 889 . 1 1 75 75 TYR N N 15 122.854 0.3 . 1 . . . . 75 TYR N . 18155 1 890 . 1 1 76 76 THR H H 1 6.090 0.020 . 1 . . . . 76 THR H . 18155 1 891 . 1 1 76 76 THR HA H 1 4.260 0.020 . 1 . . . . 76 THR HA . 18155 1 892 . 1 1 76 76 THR HB H 1 3.667 0.020 . 1 . . . . 76 THR HB . 18155 1 893 . 1 1 76 76 THR HG21 H 1 0.806 0.020 . 1 . . . . 76 THR HG2 . 18155 1 894 . 1 1 76 76 THR HG22 H 1 0.806 0.020 . 1 . . . . 76 THR HG2 . 18155 1 895 . 1 1 76 76 THR HG23 H 1 0.806 0.020 . 1 . . . . 76 THR HG2 . 18155 1 896 . 1 1 76 76 THR C C 13 171.241 0.3 . 1 . . . . 76 THR C . 18155 1 897 . 1 1 76 76 THR CA C 13 61.077 0.3 . 1 . . . . 76 THR CA . 18155 1 898 . 1 1 76 76 THR CB C 13 68.275 0.3 . 1 . . . . 76 THR CB . 18155 1 899 . 1 1 76 76 THR CG2 C 13 19.595 0.3 . 1 . . . . 76 THR CG2 . 18155 1 900 . 1 1 76 76 THR N N 15 127.198 0.3 . 1 . . . . 76 THR N . 18155 1 901 . 1 1 77 77 ALA H H 1 8.913 0.020 . 1 . . . . 77 ALA H . 18155 1 902 . 1 1 77 77 ALA HA H 1 4.600 0.020 . 1 . . . . 77 ALA HA . 18155 1 903 . 1 1 77 77 ALA HB1 H 1 1.447 0.020 . 1 . . . . 77 ALA HB . 18155 1 904 . 1 1 77 77 ALA HB2 H 1 1.447 0.020 . 1 . . . . 77 ALA HB . 18155 1 905 . 1 1 77 77 ALA HB3 H 1 1.447 0.020 . 1 . . . . 77 ALA HB . 18155 1 906 . 1 1 77 77 ALA C C 13 176.249 0.3 . 1 . . . . 77 ALA C . 18155 1 907 . 1 1 77 77 ALA CA C 13 51.472 0.3 . 1 . . . . 77 ALA CA . 18155 1 908 . 1 1 77 77 ALA CB C 13 21.013 0.3 . 1 . . . . 77 ALA CB . 18155 1 909 . 1 1 77 77 ALA N N 15 128.752 0.3 . 1 . . . . 77 ALA N . 18155 1 910 . 1 1 78 78 ARG H H 1 8.665 0.020 . 1 . . . . 78 ARG H . 18155 1 911 . 1 1 78 78 ARG HA H 1 4.956 0.020 . 1 . . . . 78 ARG HA . 18155 1 912 . 1 1 78 78 ARG HB2 H 1 1.684 0.020 . 2 . . . . 78 ARG HB2 . 18155 1 913 . 1 1 78 78 ARG HB3 H 1 2.130 0.020 . 2 . . . . 78 ARG HB3 . 18155 1 914 . 1 1 78 78 ARG HG2 H 1 1.721 0.020 . 2 . . . . 78 ARG HG2 . 18155 1 915 . 1 1 78 78 ARG HG3 H 1 1.634 0.020 . 2 . . . . 78 ARG HG3 . 18155 1 916 . 1 1 78 78 ARG HD2 H 1 3.218 0.020 . 1 . . . . 78 ARG HD2 . 18155 1 917 . 1 1 78 78 ARG HD3 H 1 3.218 0.020 . 1 . . . . 78 ARG HD3 . 18155 1 918 . 1 1 78 78 ARG C C 13 177.750 0.3 . 1 . . . . 78 ARG C . 18155 1 919 . 1 1 78 78 ARG CA C 13 53.521 0.3 . 1 . . . . 78 ARG CA . 18155 1 920 . 1 1 78 78 ARG CB C 13 33.470 0.3 . 1 . . . . 78 ARG CB . 18155 1 921 . 1 1 78 78 ARG CG C 13 27.203 0.3 . 1 . . . . 78 ARG CG . 18155 1 922 . 1 1 78 78 ARG CD C 13 43.312 0.3 . 1 . . . . 78 ARG CD . 18155 1 923 . 1 1 78 78 ARG N N 15 118.611 0.3 . 1 . . . . 78 ARG N . 18155 1 924 . 1 1 79 79 LYS H H 1 8.606 0.020 . 1 . . . . 79 LYS H . 18155 1 925 . 1 1 79 79 LYS HA H 1 4.000 0.020 . 1 . . . . 79 LYS HA . 18155 1 926 . 1 1 79 79 LYS HB2 H 1 1.913 0.020 . 2 . . . . 79 LYS HB2 . 18155 1 927 . 1 1 79 79 LYS HB3 H 1 1.794 0.020 . 2 . . . . 79 LYS HB3 . 18155 1 928 . 1 1 79 79 LYS HG2 H 1 1.403 0.020 . 1 . . . . 79 LYS HG2 . 18155 1 929 . 1 1 79 79 LYS HG3 H 1 1.403 0.020 . 1 . . . . 79 LYS HG3 . 18155 1 930 . 1 1 79 79 LYS HD2 H 1 1.610 0.020 . 1 . . . . 79 LYS HD2 . 18155 1 931 . 1 1 79 79 LYS HD3 H 1 1.610 0.020 . 1 . . . . 79 LYS HD3 . 18155 1 932 . 1 1 79 79 LYS HE2 H 1 3.018 0.020 . 1 . . . . 79 LYS HE2 . 18155 1 933 . 1 1 79 79 LYS HE3 H 1 3.018 0.020 . 1 . . . . 79 LYS HE3 . 18155 1 934 . 1 1 79 79 LYS C C 13 178.399 0.3 . 1 . . . . 79 LYS C . 18155 1 935 . 1 1 79 79 LYS CA C 13 60.163 0.3 . 1 . . . . 79 LYS CA . 18155 1 936 . 1 1 79 79 LYS CB C 13 32.014 0.3 . 1 . . . . 79 LYS CB . 18155 1 937 . 1 1 79 79 LYS CG C 13 24.634 0.3 . 1 . . . . 79 LYS CG . 18155 1 938 . 1 1 79 79 LYS CD C 13 29.323 0.3 . 1 . . . . 79 LYS CD . 18155 1 939 . 1 1 79 79 LYS CE C 13 41.645 0.3 . 1 . . . . 79 LYS CE . 18155 1 940 . 1 1 79 79 LYS N N 15 121.411 0.3 . 1 . . . . 79 LYS N . 18155 1 941 . 1 1 80 80 GLU H H 1 9.186 0.020 . 1 . . . . 80 GLU H . 18155 1 942 . 1 1 80 80 GLU HA H 1 4.292 0.020 . 1 . . . . 80 GLU HA . 18155 1 943 . 1 1 80 80 GLU HB2 H 1 2.155 0.020 . 2 . . . . 80 GLU HB2 . 18155 1 944 . 1 1 80 80 GLU HB3 H 1 2.001 0.020 . 2 . . . . 80 GLU HB3 . 18155 1 945 . 1 1 80 80 GLU HG2 H 1 2.343 0.020 . 1 . . . . 80 GLU HG2 . 18155 1 946 . 1 1 80 80 GLU HG3 H 1 2.343 0.020 . 1 . . . . 80 GLU HG3 . 18155 1 947 . 1 1 80 80 GLU C C 13 177.568 0.3 . 1 . . . . 80 GLU C . 18155 1 948 . 1 1 80 80 GLU CA C 13 58.427 0.3 . 1 . . . . 80 GLU CA . 18155 1 949 . 1 1 80 80 GLU CB C 13 27.674 0.3 . 1 . . . . 80 GLU CB . 18155 1 950 . 1 1 80 80 GLU CG C 13 36.495 0.3 . 1 . . . . 80 GLU CG . 18155 1 951 . 1 1 80 80 GLU N N 15 116.541 0.3 . 1 . . . . 80 GLU N . 18155 1 952 . 1 1 81 81 ASP H H 1 8.514 0.020 . 1 . . . . 81 ASP H . 18155 1 953 . 1 1 81 81 ASP HA H 1 5.002 0.020 . 1 . . . . 81 ASP HA . 18155 1 954 . 1 1 81 81 ASP HB2 H 1 3.356 0.020 . 2 . . . . 81 ASP HB2 . 18155 1 955 . 1 1 81 81 ASP HB3 H 1 3.068 0.020 . 2 . . . . 81 ASP HB3 . 18155 1 956 . 1 1 81 81 ASP C C 13 176.797 0.3 . 1 . . . . 81 ASP C . 18155 1 957 . 1 1 81 81 ASP CA C 13 56.217 0.3 . 1 . . . . 81 ASP CA . 18155 1 958 . 1 1 81 81 ASP CB C 13 40.720 0.3 . 1 . . . . 81 ASP CB . 18155 1 959 . 1 1 81 81 ASP N N 15 118.518 0.3 . 1 . . . . 81 ASP N . 18155 1 960 . 1 1 82 82 VAL H H 1 7.549 0.020 . 1 . . . . 82 VAL H . 18155 1 961 . 1 1 82 82 VAL HA H 1 4.268 0.020 . 1 . . . . 82 VAL HA . 18155 1 962 . 1 1 82 82 VAL HB H 1 2.311 0.020 . 1 . . . . 82 VAL HB . 18155 1 963 . 1 1 82 82 VAL HG11 H 1 1.182 0.020 . 1 . . . . 82 VAL HG1 . 18155 1 964 . 1 1 82 82 VAL HG12 H 1 1.182 0.020 . 1 . . . . 82 VAL HG1 . 18155 1 965 . 1 1 82 82 VAL HG13 H 1 1.182 0.020 . 1 . . . . 82 VAL HG1 . 18155 1 966 . 1 1 82 82 VAL HG21 H 1 1.264 0.020 . 1 . . . . 82 VAL HG2 . 18155 1 967 . 1 1 82 82 VAL HG22 H 1 1.264 0.020 . 1 . . . . 82 VAL HG2 . 18155 1 968 . 1 1 82 82 VAL HG23 H 1 1.264 0.020 . 1 . . . . 82 VAL HG2 . 18155 1 969 . 1 1 82 82 VAL C C 13 176.229 0.3 . 1 . . . . 82 VAL C . 18155 1 970 . 1 1 82 82 VAL CA C 13 64.741 0.3 . 1 . . . . 82 VAL CA . 18155 1 971 . 1 1 82 82 VAL CB C 13 31.600 0.3 . 1 . . . . 82 VAL CB . 18155 1 972 . 1 1 82 82 VAL CG1 C 13 21.068 0.3 . 1 . . . . 82 VAL CG1 . 18155 1 973 . 1 1 82 82 VAL CG2 C 13 21.509 0.3 . 1 . . . . 82 VAL CG2 . 18155 1 974 . 1 1 82 82 VAL N N 15 121.614 0.3 . 1 . . . . 82 VAL N . 18155 1 975 . 1 1 83 83 GLU H H 1 7.856 0.020 . 1 . . . . 83 GLU H . 18155 1 976 . 1 1 83 83 GLU HA H 1 4.539 0.020 . 1 . . . . 83 GLU HA . 18155 1 977 . 1 1 83 83 GLU HB2 H 1 2.390 0.020 . 2 . . . . 83 GLU HB2 . 18155 1 978 . 1 1 83 83 GLU HB3 H 1 1.894 0.020 . 2 . . . . 83 GLU HB3 . 18155 1 979 . 1 1 83 83 GLU HG2 H 1 2.299 0.020 . 1 . . . . 83 GLU HG2 . 18155 1 980 . 1 1 83 83 GLU HG3 H 1 2.299 0.020 . 1 . . . . 83 GLU HG3 . 18155 1 981 . 1 1 83 83 GLU C C 13 176.533 0.3 . 1 . . . . 83 GLU C . 18155 1 982 . 1 1 83 83 GLU CA C 13 55.745 0.3 . 1 . . . . 83 GLU CA . 18155 1 983 . 1 1 83 83 GLU CB C 13 29.710 0.3 . 1 . . . . 83 GLU CB . 18155 1 984 . 1 1 83 83 GLU CG C 13 36.631 0.3 . 1 . . . . 83 GLU CG . 18155 1 985 . 1 1 83 83 GLU N N 15 117.500 0.3 . 1 . . . . 83 GLU N . 18155 1 986 . 1 1 84 84 SER H H 1 7.764 0.020 . 1 . . . . 84 SER H . 18155 1 987 . 1 1 84 84 SER HA H 1 4.885 0.020 . 1 . . . . 84 SER HA . 18155 1 988 . 1 1 84 84 SER HB2 H 1 3.193 0.020 . 2 . . . . 84 SER HB2 . 18155 1 989 . 1 1 84 84 SER HB3 H 1 3.963 0.020 . 2 . . . . 84 SER HB3 . 18155 1 990 . 1 1 84 84 SER C C 13 173.532 0.3 . 1 . . . . 84 SER C . 18155 1 991 . 1 1 84 84 SER CA C 13 58.975 0.3 . 1 . . . . 84 SER CA . 18155 1 992 . 1 1 84 84 SER CB C 13 63.838 0.3 . 1 . . . . 84 SER CB . 18155 1 993 . 1 1 84 84 SER N N 15 116.423 0.3 . 1 . . . . 84 SER N . 18155 1 994 . 1 1 85 85 GLN H H 1 8.272 0.020 . 1 . . . . 85 GLN H . 18155 1 995 . 1 1 85 85 GLN HA H 1 4.899 0.020 . 1 . . . . 85 GLN HA . 18155 1 996 . 1 1 85 85 GLN HB2 H 1 1.846 0.020 . 2 . . . . 85 GLN HB2 . 18155 1 997 . 1 1 85 85 GLN HB3 H 1 2.013 0.020 . 2 . . . . 85 GLN HB3 . 18155 1 998 . 1 1 85 85 GLN HG2 H 1 2.342 0.020 . 1 . . . . 85 GLN HG2 . 18155 1 999 . 1 1 85 85 GLN HG3 H 1 2.342 0.020 . 1 . . . . 85 GLN HG3 . 18155 1 1000 . 1 1 85 85 GLN HE21 H 1 7.465 0.020 . 1 . . . . 85 GLN HE21 . 18155 1 1001 . 1 1 85 85 GLN HE22 H 1 6.703 0.020 . 1 . . . . 85 GLN HE22 . 18155 1 1002 . 1 1 85 85 GLN C C 13 174.729 0.3 . 1 . . . . 85 GLN C . 18155 1 1003 . 1 1 85 85 GLN CA C 13 54.008 0.3 . 1 . . . . 85 GLN CA . 18155 1 1004 . 1 1 85 85 GLN CB C 13 31.282 0.3 . 1 . . . . 85 GLN CB . 18155 1 1005 . 1 1 85 85 GLN CG C 13 33.233 0.3 . 1 . . . . 85 GLN CG . 18155 1 1006 . 1 1 85 85 GLN CD C 13 179.595 0.3 . 1 . . . . 85 GLN CD . 18155 1 1007 . 1 1 85 85 GLN N N 15 120.465 0.3 . 1 . . . . 85 GLN N . 18155 1 1008 . 1 1 85 85 GLN NE2 N 15 111.157 0.3 . 1 . . . . 85 GLN NE2 . 18155 1 1009 . 1 1 86 86 PHE H H 1 9.870 0.020 . 1 . . . . 86 PHE H . 18155 1 1010 . 1 1 86 86 PHE HA H 1 5.680 0.020 . 1 . . . . 86 PHE HA . 18155 1 1011 . 1 1 86 86 PHE HB2 H 1 3.126 0.020 . 2 . . . . 86 PHE HB2 . 18155 1 1012 . 1 1 86 86 PHE HB3 H 1 2.979 0.020 . 2 . . . . 86 PHE HB3 . 18155 1 1013 . 1 1 86 86 PHE HD1 H 1 7.176 0.020 . 3 . . . . 86 PHE HD1 . 18155 1 1014 . 1 1 86 86 PHE HD2 H 1 7.176 0.020 . 3 . . . . 86 PHE HD2 . 18155 1 1015 . 1 1 86 86 PHE HE1 H 1 6.683 0.020 . 3 . . . . 86 PHE HE1 . 18155 1 1016 . 1 1 86 86 PHE HE2 H 1 6.683 0.020 . 3 . . . . 86 PHE HE2 . 18155 1 1017 . 1 1 86 86 PHE HZ H 1 6.438 0.020 . 1 . . . . 86 PHE HZ . 18155 1 1018 . 1 1 86 86 PHE C C 13 175.600 0.3 . 1 . . . . 86 PHE C . 18155 1 1019 . 1 1 86 86 PHE CA C 13 56.848 0.3 . 1 . . . . 86 PHE CA . 18155 1 1020 . 1 1 86 86 PHE CB C 13 41.226 0.3 . 1 . . . . 86 PHE CB . 18155 1 1021 . 1 1 86 86 PHE CD1 C 13 132.034 0.3 . 3 . . . . 86 PHE CD1 . 18155 1 1022 . 1 1 86 86 PHE CD2 C 13 132.034 0.3 . 3 . . . . 86 PHE CD2 . 18155 1 1023 . 1 1 86 86 PHE CE1 C 13 130.587 0.3 . 3 . . . . 86 PHE CE1 . 18155 1 1024 . 1 1 86 86 PHE CE2 C 13 130.587 0.3 . 3 . . . . 86 PHE CE2 . 18155 1 1025 . 1 1 86 86 PHE CZ C 13 129.496 0.3 . 1 . . . . 86 PHE CZ . 18155 1 1026 . 1 1 86 86 PHE N N 15 124.404 0.3 . 1 . . . . 86 PHE N . 18155 1 1027 . 1 1 87 87 THR H H 1 9.074 0.020 . 1 . . . . 87 THR H . 18155 1 1028 . 1 1 87 87 THR HA H 1 4.453 0.020 . 1 . . . . 87 THR HA . 18155 1 1029 . 1 1 87 87 THR HB H 1 3.983 0.020 . 1 . . . . 87 THR HB . 18155 1 1030 . 1 1 87 87 THR HG21 H 1 0.978 0.020 . 1 . . . . 87 THR HG2 . 18155 1 1031 . 1 1 87 87 THR HG22 H 1 0.978 0.020 . 1 . . . . 87 THR HG2 . 18155 1 1032 . 1 1 87 87 THR HG23 H 1 0.978 0.020 . 1 . . . . 87 THR HG2 . 18155 1 1033 . 1 1 87 87 THR C C 13 171.808 0.3 . 1 . . . . 87 THR C . 18155 1 1034 . 1 1 87 87 THR CA C 13 58.804 0.3 . 1 . . . . 87 THR CA . 18155 1 1035 . 1 1 87 87 THR CB C 13 73.579 0.3 . 1 . . . . 87 THR CB . 18155 1 1036 . 1 1 87 87 THR CG2 C 13 22.134 0.3 . 1 . . . . 87 THR CG2 . 18155 1 1037 . 1 1 87 87 THR N N 15 108.456 0.3 . 1 . . . . 87 THR N . 18155 1 1038 . 1 1 88 88 CYS H H 1 8.398 0.020 . 1 . . . . 88 CYS H . 18155 1 1039 . 1 1 88 88 CYS HA H 1 4.639 0.020 . 1 . . . . 88 CYS HA . 18155 1 1040 . 1 1 88 88 CYS HB2 H 1 2.069 0.020 . 2 . . . . 88 CYS HB2 . 18155 1 1041 . 1 1 88 88 CYS HB3 H 1 2.148 0.020 . 2 . . . . 88 CYS HB3 . 18155 1 1042 . 1 1 88 88 CYS C C 13 171.910 0.3 . 1 . . . . 88 CYS C . 18155 1 1043 . 1 1 88 88 CYS CA C 13 52.251 0.3 . 1 . . . . 88 CYS CA . 18155 1 1044 . 1 1 88 88 CYS CB C 13 44.516 0.3 . 1 . . . . 88 CYS CB . 18155 1 1045 . 1 1 88 88 CYS N N 15 120.459 0.3 . 1 . . . . 88 CYS N . 18155 1 1046 . 1 1 89 89 THR H H 1 9.190 0.020 . 1 . . . . 89 THR H . 18155 1 1047 . 1 1 89 89 THR HA H 1 5.017 0.020 . 1 . . . . 89 THR HA . 18155 1 1048 . 1 1 89 89 THR HB H 1 3.810 0.020 . 1 . . . . 89 THR HB . 18155 1 1049 . 1 1 89 89 THR HG21 H 1 0.975 0.020 . 1 . . . . 89 THR HG2 . 18155 1 1050 . 1 1 89 89 THR HG22 H 1 0.975 0.020 . 1 . . . . 89 THR HG2 . 18155 1 1051 . 1 1 89 89 THR HG23 H 1 0.975 0.020 . 1 . . . . 89 THR HG2 . 18155 1 1052 . 1 1 89 89 THR CA C 13 61.562 0.3 . 1 . . . . 89 THR CA . 18155 1 1053 . 1 1 89 89 THR CB C 13 71.059 0.3 . 1 . . . . 89 THR CB . 18155 1 1054 . 1 1 89 89 THR CG2 C 13 20.523 0.3 . 1 . . . . 89 THR CG2 . 18155 1 1055 . 1 1 89 89 THR N N 15 125.337 0.3 . 1 . . . . 89 THR N . 18155 1 1056 . 1 1 90 90 ALA H H 1 9.481 0.020 . 1 . . . . 90 ALA H . 18155 1 1057 . 1 1 90 90 ALA HA H 1 4.912 0.020 . 1 . . . . 90 ALA HA . 18155 1 1058 . 1 1 90 90 ALA HB1 H 1 1.075 0.020 . 1 . . . . 90 ALA HB . 18155 1 1059 . 1 1 90 90 ALA HB2 H 1 1.075 0.020 . 1 . . . . 90 ALA HB . 18155 1 1060 . 1 1 90 90 ALA HB3 H 1 1.075 0.020 . 1 . . . . 90 ALA HB . 18155 1 1061 . 1 1 90 90 ALA C C 13 174.323 0.3 . 1 . . . . 90 ALA C . 18155 1 1062 . 1 1 90 90 ALA CA C 13 49.899 0.3 . 1 . . . . 90 ALA CA . 18155 1 1063 . 1 1 90 90 ALA CB C 13 21.689 0.3 . 1 . . . . 90 ALA CB . 18155 1 1064 . 1 1 90 90 ALA N N 15 128.128 0.3 . 1 . . . . 90 ALA N . 18155 1 1065 . 1 1 91 91 LYS HA H 1 4.600 0.020 . 1 . . . . 91 LYS HA . 18155 1 1066 . 1 1 91 91 LYS HB2 H 1 1.668 0.020 . 1 . . . . 91 LYS HB2 . 18155 1 1067 . 1 1 91 91 LYS HB3 H 1 1.668 0.020 . 1 . . . . 91 LYS HB3 . 18155 1 1068 . 1 1 91 91 LYS HG2 H 1 1.344 0.020 . 1 . . . . 91 LYS HG2 . 18155 1 1069 . 1 1 91 91 LYS HG3 H 1 1.344 0.020 . 1 . . . . 91 LYS HG3 . 18155 1 1070 . 1 1 91 91 LYS HD2 H 1 1.506 0.020 . 1 . . . . 91 LYS HD2 . 18155 1 1071 . 1 1 91 91 LYS HD3 H 1 1.506 0.020 . 1 . . . . 91 LYS HD3 . 18155 1 1072 . 1 1 91 91 LYS HE2 H 1 3.024 0.020 . 1 . . . . 91 LYS HE2 . 18155 1 1073 . 1 1 91 91 LYS HE3 H 1 3.024 0.020 . 1 . . . . 91 LYS HE3 . 18155 1 1074 . 1 1 91 91 LYS C C 13 175.459 0.3 . 1 . . . . 91 LYS C . 18155 1 1075 . 1 1 91 91 LYS CA C 13 54.138 0.3 . 1 . . . . 91 LYS CA . 18155 1 1076 . 1 1 91 91 LYS CB C 13 33.549 0.3 . 1 . . . . 91 LYS CB . 18155 1 1077 . 1 1 91 91 LYS CG C 13 23.940 0.3 . 1 . . . . 91 LYS CG . 18155 1 1078 . 1 1 91 91 LYS CD C 13 28.564 0.3 . 1 . . . . 91 LYS CD . 18155 1 1079 . 1 1 91 91 LYS CE C 13 41.399 0.3 . 1 . . . . 91 LYS CE . 18155 1 1080 . 1 1 92 92 HIS H H 1 9.416 0.020 . 1 . . . . 92 HIS H . 18155 1 1081 . 1 1 92 92 HIS HA H 1 4.901 0.020 . 1 . . . . 92 HIS HA . 18155 1 1082 . 1 1 92 92 HIS HB2 H 1 2.994 0.020 . 2 . . . . 92 HIS HB2 . 18155 1 1083 . 1 1 92 92 HIS HB3 H 1 2.670 0.020 . 2 . . . . 92 HIS HB3 . 18155 1 1084 . 1 1 92 92 HIS HD2 H 1 6.960 0.020 . 1 . . . . 92 HIS HD2 . 18155 1 1085 . 1 1 92 92 HIS HE1 H 1 7.340 0.020 . 1 . . . . 92 HIS HE1 . 18155 1 1086 . 1 1 92 92 HIS C C 13 175.702 0.3 . 1 . . . . 92 HIS C . 18155 1 1087 . 1 1 92 92 HIS CA C 13 55.324 0.3 . 1 . . . . 92 HIS CA . 18155 1 1088 . 1 1 92 92 HIS CB C 13 33.942 0.3 . 1 . . . . 92 HIS CB . 18155 1 1089 . 1 1 92 92 HIS CD2 C 13 119.717 0.3 . 1 . . . . 92 HIS CD2 . 18155 1 1090 . 1 1 92 92 HIS CE1 C 13 136.823 0.3 . 1 . . . . 92 HIS CE1 . 18155 1 1091 . 1 1 92 92 HIS N N 15 125.960 0.3 . 1 . . . . 92 HIS N . 18155 1 1092 . 1 1 93 93 VAL H H 1 8.219 0.020 . 1 . . . . 93 VAL H . 18155 1 1093 . 1 1 93 93 VAL HA H 1 3.885 0.020 . 1 . . . . 93 VAL HA . 18155 1 1094 . 1 1 93 93 VAL HB H 1 2.020 0.020 . 1 . . . . 93 VAL HB . 18155 1 1095 . 1 1 93 93 VAL HG11 H 1 1.008 0.020 . 1 . . . . 93 VAL HG1 . 18155 1 1096 . 1 1 93 93 VAL HG12 H 1 1.008 0.020 . 1 . . . . 93 VAL HG1 . 18155 1 1097 . 1 1 93 93 VAL HG13 H 1 1.008 0.020 . 1 . . . . 93 VAL HG1 . 18155 1 1098 . 1 1 93 93 VAL HG21 H 1 0.978 0.020 . 1 . . . . 93 VAL HG2 . 18155 1 1099 . 1 1 93 93 VAL HG22 H 1 0.978 0.020 . 1 . . . . 93 VAL HG2 . 18155 1 1100 . 1 1 93 93 VAL HG23 H 1 0.978 0.020 . 1 . . . . 93 VAL HG2 . 18155 1 1101 . 1 1 93 93 VAL C C 13 176.614 0.3 . 1 . . . . 93 VAL C . 18155 1 1102 . 1 1 93 93 VAL CA C 13 64.739 0.3 . 1 . . . . 93 VAL CA . 18155 1 1103 . 1 1 93 93 VAL CB C 13 31.652 0.3 . 1 . . . . 93 VAL CB . 18155 1 1104 . 1 1 93 93 VAL CG1 C 13 21.327 0.3 . 1 . . . . 93 VAL CG1 . 18155 1 1105 . 1 1 93 93 VAL CG2 C 13 21.076 0.3 . 1 . . . . 93 VAL CG2 . 18155 1 1106 . 1 1 93 93 VAL N N 15 120.650 0.3 . 1 . . . . 93 VAL N . 18155 1 1107 . 1 1 94 94 MET H H 1 8.471 0.020 . 1 . . . . 94 MET H . 18155 1 1108 . 1 1 94 94 MET HA H 1 4.692 0.020 . 1 . . . . 94 MET HA . 18155 1 1109 . 1 1 94 94 MET HB2 H 1 2.024 0.020 . 2 . . . . 94 MET HB2 . 18155 1 1110 . 1 1 94 94 MET HB3 H 1 2.280 0.020 . 2 . . . . 94 MET HB3 . 18155 1 1111 . 1 1 94 94 MET HG2 H 1 2.523 0.020 . 2 . . . . 94 MET HG2 . 18155 1 1112 . 1 1 94 94 MET HG3 H 1 2.614 0.020 . 2 . . . . 94 MET HG3 . 18155 1 1113 . 1 1 94 94 MET HE1 H 1 2.122 0.020 . 1 . . . . 94 MET HE . 18155 1 1114 . 1 1 94 94 MET HE2 H 1 2.122 0.020 . 1 . . . . 94 MET HE . 18155 1 1115 . 1 1 94 94 MET HE3 H 1 2.122 0.020 . 1 . . . . 94 MET HE . 18155 1 1116 . 1 1 94 94 MET C C 13 175.377 0.3 . 1 . . . . 94 MET C . 18155 1 1117 . 1 1 94 94 MET CA C 13 54.499 0.3 . 1 . . . . 94 MET CA . 18155 1 1118 . 1 1 94 94 MET CB C 13 32.705 0.3 . 1 . . . . 94 MET CB . 18155 1 1119 . 1 1 94 94 MET CG C 13 32.380 0.3 . 1 . . . . 94 MET CG . 18155 1 1120 . 1 1 94 94 MET CE C 13 16.837 0.3 . 1 . . . . 94 MET CE . 18155 1 1121 . 1 1 94 94 MET N N 15 118.092 0.3 . 1 . . . . 94 MET N . 18155 1 1122 . 1 1 95 95 GLY H H 1 7.810 0.020 . 1 . . . . 95 GLY H . 18155 1 1123 . 1 1 95 95 GLY HA2 H 1 4.069 0.020 . 2 . . . . 95 GLY HA2 . 18155 1 1124 . 1 1 95 95 GLY HA3 H 1 4.268 0.020 . 2 . . . . 95 GLY HA3 . 18155 1 1125 . 1 1 95 95 GLY C C 13 170.429 0.3 . 1 . . . . 95 GLY C . 18155 1 1126 . 1 1 95 95 GLY CA C 13 44.548 0.3 . 1 . . . . 95 GLY CA . 18155 1 1127 . 1 1 95 95 GLY N N 15 108.668 0.3 . 1 . . . . 95 GLY N . 18155 1 1128 . 1 1 96 96 PRO HA H 1 4.560 0.020 . 1 . . . . 96 PRO HA . 18155 1 1129 . 1 1 96 96 PRO HB2 H 1 2.309 0.020 . 1 . . . . 96 PRO HB2 . 18155 1 1130 . 1 1 96 96 PRO HB3 H 1 2.309 0.020 . 1 . . . . 96 PRO HB3 . 18155 1 1131 . 1 1 96 96 PRO HG2 H 1 1.978 0.020 . 1 . . . . 96 PRO HG2 . 18155 1 1132 . 1 1 96 96 PRO HG3 H 1 1.978 0.020 . 1 . . . . 96 PRO HG3 . 18155 1 1133 . 1 1 96 96 PRO HD2 H 1 3.563 0.020 . 1 . . . . 96 PRO HD2 . 18155 1 1134 . 1 1 96 96 PRO HD3 H 1 3.563 0.020 . 1 . . . . 96 PRO HD3 . 18155 1 1135 . 1 1 96 96 PRO C C 13 176.351 0.3 . 1 . . . . 96 PRO C . 18155 1 1136 . 1 1 96 96 PRO CA C 13 62.371 0.3 . 1 . . . . 96 PRO CA . 18155 1 1137 . 1 1 96 96 PRO CB C 13 32.174 0.3 . 1 . . . . 96 PRO CB . 18155 1 1138 . 1 1 96 96 PRO CG C 13 26.769 0.3 . 1 . . . . 96 PRO CG . 18155 1 1139 . 1 1 96 96 PRO CD C 13 49.587 0.3 . 1 . . . . 96 PRO CD . 18155 1 1140 . 1 1 97 97 ASP H H 1 8.491 0.020 . 1 . . . . 97 ASP H . 18155 1 1141 . 1 1 97 97 ASP HA H 1 4.962 0.020 . 1 . . . . 97 ASP HA . 18155 1 1142 . 1 1 97 97 ASP HB2 H 1 2.370 0.020 . 2 . . . . 97 ASP HB2 . 18155 1 1143 . 1 1 97 97 ASP HB3 H 1 2.483 0.020 . 2 . . . . 97 ASP HB3 . 18155 1 1144 . 1 1 97 97 ASP C C 13 176.979 0.3 . 1 . . . . 97 ASP C . 18155 1 1145 . 1 1 97 97 ASP CA C 13 54.445 0.3 . 1 . . . . 97 ASP CA . 18155 1 1146 . 1 1 97 97 ASP CB C 13 40.462 0.3 . 1 . . . . 97 ASP CB . 18155 1 1147 . 1 1 97 97 ASP N N 15 121.003 0.3 . 1 . . . . 97 ASP N . 18155 1 1148 . 1 1 98 98 GLN H H 1 8.351 0.020 . 1 . . . . 98 GLN H . 18155 1 1149 . 1 1 98 98 GLN HA H 1 4.825 0.020 . 1 . . . . 98 GLN HA . 18155 1 1150 . 1 1 98 98 GLN HB2 H 1 2.184 0.020 . 2 . . . . 98 GLN HB2 . 18155 1 1151 . 1 1 98 98 GLN HB3 H 1 1.939 0.020 . 2 . . . . 98 GLN HB3 . 18155 1 1152 . 1 1 98 98 GLN HG2 H 1 2.400 0.020 . 1 . . . . 98 GLN HG2 . 18155 1 1153 . 1 1 98 98 GLN HG3 H 1 2.400 0.020 . 1 . . . . 98 GLN HG3 . 18155 1 1154 . 1 1 98 98 GLN C C 13 173.512 0.3 . 1 . . . . 98 GLN C . 18155 1 1155 . 1 1 98 98 GLN CA C 13 54.615 0.3 . 1 . . . . 98 GLN CA . 18155 1 1156 . 1 1 98 98 GLN CB C 13 33.493 0.3 . 1 . . . . 98 GLN CB . 18155 1 1157 . 1 1 98 98 GLN CG C 13 34.623 0.3 . 1 . . . . 98 GLN CG . 18155 1 1158 . 1 1 98 98 GLN N N 15 118.834 0.3 . 1 . . . . 98 GLN N . 18155 1 1159 . 1 1 99 99 VAL H H 1 8.907 0.020 . 1 . . . . 99 VAL H . 18155 1 1160 . 1 1 99 99 VAL HA H 1 4.745 0.020 . 1 . . . . 99 VAL HA . 18155 1 1161 . 1 1 99 99 VAL HB H 1 1.886 0.020 . 1 . . . . 99 VAL HB . 18155 1 1162 . 1 1 99 99 VAL HG11 H 1 1.089 0.020 . 1 . . . . 99 VAL HG1 . 18155 1 1163 . 1 1 99 99 VAL HG12 H 1 1.089 0.020 . 1 . . . . 99 VAL HG1 . 18155 1 1164 . 1 1 99 99 VAL HG13 H 1 1.089 0.020 . 1 . . . . 99 VAL HG1 . 18155 1 1165 . 1 1 99 99 VAL HG21 H 1 1.089 0.020 . 1 . . . . 99 VAL HG2 . 18155 1 1166 . 1 1 99 99 VAL HG22 H 1 1.089 0.020 . 1 . . . . 99 VAL HG2 . 18155 1 1167 . 1 1 99 99 VAL HG23 H 1 1.089 0.020 . 1 . . . . 99 VAL HG2 . 18155 1 1168 . 1 1 99 99 VAL C C 13 175.621 0.3 . 1 . . . . 99 VAL C . 18155 1 1169 . 1 1 99 99 VAL CA C 13 61.008 0.3 . 1 . . . . 99 VAL CA . 18155 1 1170 . 1 1 99 99 VAL CB C 13 33.945 0.3 . 1 . . . . 99 VAL CB . 18155 1 1171 . 1 1 99 99 VAL CG1 C 13 19.910 0.3 . 1 . . . . 99 VAL CG1 . 18155 1 1172 . 1 1 99 99 VAL CG2 C 13 20.835 0.3 . 1 . . . . 99 VAL CG2 . 18155 1 1173 . 1 1 99 99 VAL N N 15 124.092 0.3 . 1 . . . . 99 VAL N . 18155 1 1174 . 1 1 100 100 SER H H 1 9.031 0.020 . 1 . . . . 100 SER H . 18155 1 1175 . 1 1 100 100 SER HA H 1 4.453 0.020 . 1 . . . . 100 SER HA . 18155 1 1176 . 1 1 100 100 SER HB2 H 1 3.767 0.020 . 2 . . . . 100 SER HB2 . 18155 1 1177 . 1 1 100 100 SER HB3 H 1 4.399 0.020 . 2 . . . . 100 SER HB3 . 18155 1 1178 . 1 1 100 100 SER C C 13 173.390 0.3 . 1 . . . . 100 SER C . 18155 1 1179 . 1 1 100 100 SER CA C 13 58.735 0.3 . 1 . . . . 100 SER CA . 18155 1 1180 . 1 1 100 100 SER CB C 13 65.701 0.3 . 1 . . . . 100 SER CB . 18155 1 1181 . 1 1 100 100 SER N N 15 124.002 0.3 . 1 . . . . 100 SER N . 18155 1 1182 . 1 1 101 101 GLU H H 1 8.641 0.020 . 1 . . . . 101 GLU H . 18155 1 1183 . 1 1 101 101 GLU HA H 1 4.504 0.020 . 1 . . . . 101 GLU HA . 18155 1 1184 . 1 1 101 101 GLU HB2 H 1 1.984 0.020 . 2 . . . . 101 GLU HB2 . 18155 1 1185 . 1 1 101 101 GLU HB3 H 1 2.193 0.020 . 2 . . . . 101 GLU HB3 . 18155 1 1186 . 1 1 101 101 GLU HG2 H 1 2.433 0.020 . 2 . . . . 101 GLU HG2 . 18155 1 1187 . 1 1 101 101 GLU HG3 H 1 2.514 0.020 . 2 . . . . 101 GLU HG3 . 18155 1 1188 . 1 1 101 101 GLU C C 13 176.472 0.3 . 1 . . . . 101 GLU C . 18155 1 1189 . 1 1 101 101 GLU CA C 13 55.579 0.3 . 1 . . . . 101 GLU CA . 18155 1 1190 . 1 1 101 101 GLU CB C 13 28.452 0.3 . 1 . . . . 101 GLU CB . 18155 1 1191 . 1 1 101 101 GLU CG C 13 36.458 0.3 . 1 . . . . 101 GLU CG . 18155 1 1192 . 1 1 101 101 GLU N N 15 119.334 0.3 . 1 . . . . 101 GLU N . 18155 1 1193 . 1 1 102 102 PRO HA H 1 4.929 0.020 . 1 . . . . 102 PRO HA . 18155 1 1194 . 1 1 102 102 PRO HB2 H 1 1.914 0.020 . 1 . . . . 102 PRO HB2 . 18155 1 1195 . 1 1 102 102 PRO HB3 H 1 1.914 0.020 . 1 . . . . 102 PRO HB3 . 18155 1 1196 . 1 1 102 102 PRO HG2 H 1 2.083 0.020 . 1 . . . . 102 PRO HG2 . 18155 1 1197 . 1 1 102 102 PRO HG3 H 1 2.083 0.020 . 1 . . . . 102 PRO HG3 . 18155 1 1198 . 1 1 102 102 PRO HD2 H 1 3.792 0.020 . 1 . . . . 102 PRO HD2 . 18155 1 1199 . 1 1 102 102 PRO HD3 H 1 3.792 0.020 . 1 . . . . 102 PRO HD3 . 18155 1 1200 . 1 1 102 102 PRO C C 13 176.472 0.3 . 1 . . . . 102 PRO C . 18155 1 1201 . 1 1 102 102 PRO CA C 13 62.214 0.3 . 1 . . . . 102 PRO CA . 18155 1 1202 . 1 1 102 102 PRO CB C 13 32.361 0.3 . 1 . . . . 102 PRO CB . 18155 1 1203 . 1 1 102 102 PRO CG C 13 26.865 0.3 . 1 . . . . 102 PRO CG . 18155 1 1204 . 1 1 102 102 PRO CD C 13 49.920 0.3 . 1 . . . . 102 PRO CD . 18155 1 1205 . 1 1 103 103 GLU H H 1 9.123 0.020 . 1 . . . . 103 GLU H . 18155 1 1206 . 1 1 103 103 GLU HA H 1 4.720 0.020 . 1 . . . . 103 GLU HA . 18155 1 1207 . 1 1 103 103 GLU HB2 H 1 1.668 0.020 . 1 . . . . 103 GLU HB2 . 18155 1 1208 . 1 1 103 103 GLU HB3 H 1 1.668 0.020 . 1 . . . . 103 GLU HB3 . 18155 1 1209 . 1 1 103 103 GLU HG2 H 1 2.243 0.020 . 1 . . . . 103 GLU HG2 . 18155 1 1210 . 1 1 103 103 GLU HG3 H 1 2.243 0.020 . 1 . . . . 103 GLU HG3 . 18155 1 1211 . 1 1 103 103 GLU C C 13 175.276 0.3 . 1 . . . . 103 GLU C . 18155 1 1212 . 1 1 103 103 GLU CA C 13 54.289 0.3 . 1 . . . . 103 GLU CA . 18155 1 1213 . 1 1 103 103 GLU CB C 13 32.909 0.3 . 1 . . . . 103 GLU CB . 18155 1 1214 . 1 1 103 103 GLU CG C 13 34.981 0.3 . 1 . . . . 103 GLU CG . 18155 1 1215 . 1 1 103 103 GLU N N 15 119.018 0.3 . 1 . . . . 103 GLU N . 18155 1 1216 . 1 1 104 104 SER H H 1 8.241 0.020 . 1 . . . . 104 SER H . 18155 1 1217 . 1 1 104 104 SER HA H 1 5.081 0.020 . 1 . . . . 104 SER HA . 18155 1 1218 . 1 1 104 104 SER HB2 H 1 3.924 0.020 . 2 . . . . 104 SER HB2 . 18155 1 1219 . 1 1 104 104 SER HB3 H 1 3.799 0.020 . 2 . . . . 104 SER HB3 . 18155 1 1220 . 1 1 104 104 SER C C 13 172.457 0.3 . 1 . . . . 104 SER C . 18155 1 1221 . 1 1 104 104 SER CA C 13 57.022 0.3 . 1 . . . . 104 SER CA . 18155 1 1222 . 1 1 104 104 SER CB C 13 66.167 0.3 . 1 . . . . 104 SER CB . 18155 1 1223 . 1 1 104 104 SER N N 15 116.738 0.3 . 1 . . . . 104 SER N . 18155 1 1224 . 1 1 105 105 PHE H H 1 9.701 0.020 . 1 . . . . 105 PHE H . 18155 1 1225 . 1 1 105 105 PHE HA H 1 5.009 0.020 . 1 . . . . 105 PHE HA . 18155 1 1226 . 1 1 105 105 PHE HB2 H 1 2.566 0.020 . 2 . . . . 105 PHE HB2 . 18155 1 1227 . 1 1 105 105 PHE HB3 H 1 2.928 0.020 . 2 . . . . 105 PHE HB3 . 18155 1 1228 . 1 1 105 105 PHE HD1 H 1 7.068 0.020 . 3 . . . . 105 PHE HD1 . 18155 1 1229 . 1 1 105 105 PHE HD2 H 1 7.068 0.020 . 3 . . . . 105 PHE HD2 . 18155 1 1230 . 1 1 105 105 PHE HE1 H 1 7.183 0.020 . 3 . . . . 105 PHE HE1 . 18155 1 1231 . 1 1 105 105 PHE HE2 H 1 7.183 0.020 . 3 . . . . 105 PHE HE2 . 18155 1 1232 . 1 1 105 105 PHE HZ H 1 6.956 0.020 . 1 . . . . 105 PHE HZ . 18155 1 1233 . 1 1 105 105 PHE C C 13 173.593 0.3 . 1 . . . . 105 PHE C . 18155 1 1234 . 1 1 105 105 PHE CA C 13 55.898 0.3 . 1 . . . . 105 PHE CA . 18155 1 1235 . 1 1 105 105 PHE CB C 13 43.270 0.3 . 1 . . . . 105 PHE CB . 18155 1 1236 . 1 1 105 105 PHE CD1 C 13 131.847 0.3 . 3 . . . . 105 PHE CD1 . 18155 1 1237 . 1 1 105 105 PHE CD2 C 13 131.847 0.3 . 3 . . . . 105 PHE CD2 . 18155 1 1238 . 1 1 105 105 PHE CE1 C 13 131.374 0.3 . 3 . . . . 105 PHE CE1 . 18155 1 1239 . 1 1 105 105 PHE CE2 C 13 131.374 0.3 . 3 . . . . 105 PHE CE2 . 18155 1 1240 . 1 1 105 105 PHE CZ C 13 129.248 0.3 . 1 . . . . 105 PHE CZ . 18155 1 1241 . 1 1 105 105 PHE N N 15 120.579 0.3 . 1 . . . . 105 PHE N . 18155 1 1242 . 1 1 106 106 PRO HA H 1 4.708 0.020 . 1 . . . . 106 PRO HA . 18155 1 1243 . 1 1 106 106 PRO HB2 H 1 2.475 0.020 . 1 . . . . 106 PRO HB2 . 18155 1 1244 . 1 1 106 106 PRO HB3 H 1 2.475 0.020 . 1 . . . . 106 PRO HB3 . 18155 1 1245 . 1 1 106 106 PRO HG2 H 1 2.165 0.020 . 2 . . . . 106 PRO HG2 . 18155 1 1246 . 1 1 106 106 PRO HG3 H 1 2.352 0.020 . 2 . . . . 106 PRO HG3 . 18155 1 1247 . 1 1 106 106 PRO HD2 H 1 4.005 0.020 . 2 . . . . 106 PRO HD2 . 18155 1 1248 . 1 1 106 106 PRO HD3 H 1 4.035 0.020 . 2 . . . . 106 PRO HD3 . 18155 1 1249 . 1 1 106 106 PRO C C 13 175.073 0.3 . 1 . . . . 106 PRO C . 18155 1 1250 . 1 1 106 106 PRO CA C 13 62.303 0.3 . 1 . . . . 106 PRO CA . 18155 1 1251 . 1 1 106 106 PRO CB C 13 32.252 0.3 . 1 . . . . 106 PRO CB . 18155 1 1252 . 1 1 106 106 PRO CG C 13 27.638 0.3 . 1 . . . . 106 PRO CG . 18155 1 1253 . 1 1 106 106 PRO CD C 13 51.093 0.3 . 1 . . . . 106 PRO CD . 18155 1 1254 . 1 1 107 107 ILE H H 1 8.389 0.020 . 1 . . . . 107 ILE H . 18155 1 1255 . 1 1 107 107 ILE HA H 1 4.687 0.020 . 1 . . . . 107 ILE HA . 18155 1 1256 . 1 1 107 107 ILE HB H 1 1.980 0.020 . 1 . . . . 107 ILE HB . 18155 1 1257 . 1 1 107 107 ILE HG12 H 1 1.481 0.020 . 1 . . . . 107 ILE HG12 . 18155 1 1258 . 1 1 107 107 ILE HG13 H 1 1.481 0.020 . 1 . . . . 107 ILE HG13 . 18155 1 1259 . 1 1 107 107 ILE HG21 H 1 0.511 0.020 . 1 . . . . 107 ILE HG2 . 18155 1 1260 . 1 1 107 107 ILE HG22 H 1 0.511 0.020 . 1 . . . . 107 ILE HG2 . 18155 1 1261 . 1 1 107 107 ILE HG23 H 1 0.511 0.020 . 1 . . . . 107 ILE HG2 . 18155 1 1262 . 1 1 107 107 ILE HD11 H 1 0.736 0.020 . 1 . . . . 107 ILE HD1 . 18155 1 1263 . 1 1 107 107 ILE HD12 H 1 0.736 0.020 . 1 . . . . 107 ILE HD1 . 18155 1 1264 . 1 1 107 107 ILE HD13 H 1 0.736 0.020 . 1 . . . . 107 ILE HD1 . 18155 1 1265 . 1 1 107 107 ILE C C 13 175.398 0.3 . 1 . . . . 107 ILE C . 18155 1 1266 . 1 1 107 107 ILE CA C 13 57.795 0.3 . 1 . . . . 107 ILE CA . 18155 1 1267 . 1 1 107 107 ILE CB C 13 37.514 0.3 . 1 . . . . 107 ILE CB . 18155 1 1268 . 1 1 107 107 ILE CG1 C 13 27.163 0.3 . 1 . . . . 107 ILE CG1 . 18155 1 1269 . 1 1 107 107 ILE CG2 C 13 17.078 0.3 . 1 . . . . 107 ILE CG2 . 18155 1 1270 . 1 1 107 107 ILE CD1 C 13 11.876 0.3 . 1 . . . . 107 ILE CD1 . 18155 1 1271 . 1 1 107 107 ILE N N 15 120.836 0.3 . 1 . . . . 107 ILE N . 18155 1 1272 . 1 1 108 108 HIS H H 1 8.889 0.020 . 1 . . . . 108 HIS H . 18155 1 1273 . 1 1 108 108 HIS HA H 1 4.759 0.020 . 1 . . . . 108 HIS HA . 18155 1 1274 . 1 1 108 108 HIS HB2 H 1 2.875 0.020 . 2 . . . . 108 HIS HB2 . 18155 1 1275 . 1 1 108 108 HIS HB3 H 1 2.948 0.020 . 2 . . . . 108 HIS HB3 . 18155 1 1276 . 1 1 108 108 HIS HD2 H 1 7.054 0.020 . 1 . . . . 108 HIS HD2 . 18155 1 1277 . 1 1 108 108 HIS HE1 H 1 8.128 0.020 . 1 . . . . 108 HIS HE1 . 18155 1 1278 . 1 1 108 108 HIS C C 13 173.208 0.3 . 1 . . . . 108 HIS C . 18155 1 1279 . 1 1 108 108 HIS CA C 13 55.008 0.3 . 1 . . . . 108 HIS CA . 18155 1 1280 . 1 1 108 108 HIS CB C 13 30.959 0.3 . 1 . . . . 108 HIS CB . 18155 1 1281 . 1 1 108 108 HIS CD2 C 13 120.219 0.3 . 1 . . . . 108 HIS CD2 . 18155 1 1282 . 1 1 108 108 HIS CE1 C 13 137.050 0.3 . 1 . . . . 108 HIS CE1 . 18155 1 1283 . 1 1 108 108 HIS N N 15 126.379 0.3 . 1 . . . . 108 HIS N . 18155 1 1284 . 1 1 109 109 TYR H H 1 8.150 0.020 . 1 . . . . 109 TYR H . 18155 1 1285 . 1 1 109 109 TYR HA H 1 4.780 0.020 . 1 . . . . 109 TYR HA . 18155 1 1286 . 1 1 109 109 TYR HB2 H 1 2.964 0.020 . 2 . . . . 109 TYR HB2 . 18155 1 1287 . 1 1 109 109 TYR HB3 H 1 2.901 0.020 . 2 . . . . 109 TYR HB3 . 18155 1 1288 . 1 1 109 109 TYR HD1 H 1 7.078 0.020 . 3 . . . . 109 TYR HD1 . 18155 1 1289 . 1 1 109 109 TYR HD2 H 1 7.078 0.020 . 3 . . . . 109 TYR HD2 . 18155 1 1290 . 1 1 109 109 TYR HE1 H 1 6.727 0.020 . 3 . . . . 109 TYR HE1 . 18155 1 1291 . 1 1 109 109 TYR HE2 H 1 6.727 0.020 . 3 . . . . 109 TYR HE2 . 18155 1 1292 . 1 1 109 109 TYR C C 13 172.741 0.3 . 1 . . . . 109 TYR C . 18155 1 1293 . 1 1 109 109 TYR CA C 13 54.951 0.3 . 1 . . . . 109 TYR CA . 18155 1 1294 . 1 1 109 109 TYR CB C 13 38.046 0.3 . 1 . . . . 109 TYR CB . 18155 1 1295 . 1 1 109 109 TYR CD1 C 13 133.263 0.3 . 3 . . . . 109 TYR CD1 . 18155 1 1296 . 1 1 109 109 TYR CD2 C 13 133.263 0.3 . 3 . . . . 109 TYR CD2 . 18155 1 1297 . 1 1 109 109 TYR CE1 C 13 118.050 0.3 . 3 . . . . 109 TYR CE1 . 18155 1 1298 . 1 1 109 109 TYR CE2 C 13 118.050 0.3 . 3 . . . . 109 TYR CE2 . 18155 1 1299 . 1 1 109 109 TYR N N 15 126.453 0.3 . 1 . . . . 109 TYR N . 18155 1 1300 . 1 1 110 110 PRO HA H 1 4.429 0.020 . 1 . . . . 110 PRO HA . 18155 1 1301 . 1 1 110 110 PRO HB2 H 1 2.328 0.020 . 1 . . . . 110 PRO HB2 . 18155 1 1302 . 1 1 110 110 PRO HB3 H 1 2.328 0.020 . 1 . . . . 110 PRO HB3 . 18155 1 1303 . 1 1 110 110 PRO HG2 H 1 2.029 0.020 . 1 . . . . 110 PRO HG2 . 18155 1 1304 . 1 1 110 110 PRO HG3 H 1 2.029 0.020 . 1 . . . . 110 PRO HG3 . 18155 1 1305 . 1 1 110 110 PRO HD2 H 1 3.784 0.020 . 2 . . . . 110 PRO HD2 . 18155 1 1306 . 1 1 110 110 PRO HD3 H 1 3.740 0.020 . 2 . . . . 110 PRO HD3 . 18155 1 1307 . 1 1 110 110 PRO C C 13 176.189 0.3 . 1 . . . . 110 PRO C . 18155 1 1308 . 1 1 110 110 PRO CA C 13 63.010 0.3 . 1 . . . . 110 PRO CA . 18155 1 1309 . 1 1 110 110 PRO CB C 13 31.761 0.3 . 1 . . . . 110 PRO CB . 18155 1 1310 . 1 1 110 110 PRO CG C 13 27.169 0.3 . 1 . . . . 110 PRO CG . 18155 1 1311 . 1 1 110 110 PRO CD C 13 51.011 0.3 . 1 . . . . 110 PRO CD . 18155 1 1312 . 1 1 111 111 THR H H 1 7.875 0.020 . 1 . . . . 111 THR H . 18155 1 1313 . 1 1 111 111 THR HA H 1 4.143 0.020 . 1 . . . . 111 THR HA . 18155 1 1314 . 1 1 111 111 THR HB H 1 4.098 0.020 . 1 . . . . 111 THR HB . 18155 1 1315 . 1 1 111 111 THR HG21 H 1 1.194 0.020 . 1 . . . . 111 THR HG2 . 18155 1 1316 . 1 1 111 111 THR HG22 H 1 1.194 0.020 . 1 . . . . 111 THR HG2 . 18155 1 1317 . 1 1 111 111 THR HG23 H 1 1.194 0.020 . 1 . . . . 111 THR HG2 . 18155 1 1318 . 1 1 111 111 THR C C 13 179.170 0.3 . 1 . . . . 111 THR C . 18155 1 1319 . 1 1 111 111 THR CA C 13 63.069 0.3 . 1 . . . . 111 THR CA . 18155 1 1320 . 1 1 111 111 THR CB C 13 70.581 0.3 . 1 . . . . 111 THR CB . 18155 1 1321 . 1 1 111 111 THR CG2 C 13 21.482 0.3 . 1 . . . . 111 THR CG2 . 18155 1 1322 . 1 1 111 111 THR N N 15 119.723 0.3 . 1 . . . . 111 THR N . 18155 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 1 220 18155 1 1 221 18155 1 1 222 18155 1 1 223 18155 1 2 279 18155 1 2 280 18155 1 2 281 18155 1 2 282 18155 1 2 283 18155 1 2 284 18155 1 3 288 18155 1 3 289 18155 1 stop_ save_