data_15110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15110 _Entry.Title ; Solution structure of V21C/V59C Lymphotactin/XCL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-23 _Entry.Accession_date 2007-01-23 _Entry.Last_release_date 2007-05-04 _Entry.Original_release_date 2007-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 B. Volkman B. F. . 15110 2 R. Tuinstra R. L. . 15110 3 F. Peterson F. C. . 15110 4 E. Elgin E. S. . 15110 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chemokine chemokine 15110 'conformational restriction' 'conformational restriction' 15110 Lymphotactin Lymphotactin 15110 NMR NMR 15110 XCL1 XCL1 15110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 15110 '15N chemical shifts' 88 15110 '1H chemical shifts' 593 15110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-04 2007-01-23 original author . 15110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HDM 'BMRB Entry Tracking System' 15110 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17302442 _Citation.Full_citation . _Citation.Title 'An engineered second disulfide bond restricts lymphotactin/XCL1 to a chemokine-like conformation with XCR1 agonist activity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 2564 _Citation.Page_last 2573 _Citation.Year 2007 _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 R. Tuinstra R. L. . 15110 1 2 F. Peterson F. C. . 15110 1 3 E. Elgin E. S. . 15110 1 4 A. Pelzek A. J. . 15110 1 5 B. Volkman B. F. . 15110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15110 _Assembly.ID 1 _Assembly.Name Lymphotactin _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Lymphotactin 1 $Lymphotactin A . yes native no no . . . 15110 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 Lymphotactin 1 CYS 20 20 SG . 1 Lymphotactin 1 CYS 58 58 SG . Lymphotactin 21 cys SG . Lymphotactin 59 cys SG 15110 1 2 disulfide single . 1 Lymphotactin 1 CYS 10 10 SG . 1 Lymphotactin 1 CYS 47 47 SG . Lymphotactin 11 cys SG . Lymphotactin 48 cys SG 15110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lymphotactin _Entity.Sf_category entity _Entity.Sf_framecode Lymphotactin _Entity.Entry_ID 15110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lymphotactin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEVSDKRTCVSLTTQRLPC SRIKTYTITEGSLRAVIFIT KRGLKVCADPQATWVRDCVR SMDRKSNTRNNMIQTKPTGT QQSTNTAVTLTG ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'V21C, V59C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10198.776 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15215 . XCL1 . . . . . 100.00 93 97.83 97.83 2.49e-56 . . . . 15110 1 2 no PDB 1J8I . "Solution Structure Of Human Lymphotactin" . . . . . 100.00 93 97.83 97.83 2.87e-56 . . . . 15110 1 3 no PDB 1J9O . "Solution Structure Of Human Lymphotactin" . . . . . 100.00 93 97.83 97.83 2.87e-56 . . . . 15110 1 4 no PDB 2HDM . "Solution Structure Of V21cV59C LYMPHOTACTINXCL1" . . . . . 100.00 92 100.00 100.00 2.46e-58 . . . . 15110 1 5 no PDB 2JP1 . "Solution Structure Of The Alternative Conformation Of Xcl1LYMPHOTACTIN" . . . . . 100.00 93 97.83 97.83 2.49e-56 . . . . 15110 1 6 no PDB 2NYZ . "Viral Chemokine Binding Protein M3 From Murine Gammaherpesvirus68 In Complex With The C- Chemokine Xcl1" . . . . . 100.00 93 97.83 97.83 2.49e-56 . . . . 15110 1 7 no DBJ BAA07825 . "cytokine [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 8 no DBJ BAA09859 . "SCM-1alpha precursor [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 9 no EMBL CAA60198 . "CD8+T cell specific protein [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 10 no GB AAC50164 . "lymphotactin precursor [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 11 no GB AAH69817 . "Chemokine (C motif) ligand 1 [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 12 no GB AAH70309 . "Chemokine (C motif) ligand 1 [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 13 no GB AIC49701 . "XCL1, partial [synthetic construct]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 14 no GB AJA36131 . "fusokine FIL precursor [synthetic construct]" . . . . . 100.00 205 97.83 97.83 1.90e-54 . . . . 15110 1 15 no REF NP_002986 . "lymphotactin precursor [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 16 no REF XP_003824662 . "PREDICTED: lymphotactin [Pan paniscus]" . . . . . 100.00 114 97.83 97.83 7.81e-56 . . . . 15110 1 17 no REF XP_004027907 . "PREDICTED: lymphotactin-like [Gorilla gorilla gorilla]" . . . . . 100.00 114 97.83 97.83 7.81e-56 . . . . 15110 1 18 no REF XP_009436138 . "PREDICTED: lymphotactin [Pan troglodytes]" . . . . . 100.00 114 97.83 97.83 7.81e-56 . . . . 15110 1 19 no REF XP_011508167 . "PREDICTED: lymphotactin isoform X1 [Homo sapiens]" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 20 no SP P47992 . "RecName: Full=Lymphotactin; AltName: Full=ATAC; AltName: Full=C motif chemokine 1; AltName: Full=Cytokine SCM-1; AltName: Full=" . . . . . 100.00 114 97.83 97.83 2.90e-56 . . . . 15110 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15110 1 ATAC SWS-SYNONYM 15110 1 Chemotaxis SWS-KEYWORD 15110 1 Cytokine SWS-KEYWORD 15110 1 'Cytokine SCM-1' SWS-SYNONYM 15110 1 Lymphotactin RCSB_NAME 15110 1 Lymphotaxin SWS-SYNONYM 15110 1 SCM-1-alpha SWS-SYNONYM 15110 1 'Sensory transduction' SWS-KEYWORD 15110 1 Signal SWS-KEYWORD 15110 1 'Small inducible cytokine C1' SWS-SYNONYM 15110 1 'XC chemokine ligand 1' SWS-SYNONYM 15110 1 XCL1 SWS-SYNONYM 15110 1 'XCL1, Cytokine SCM-1, ATAC, Lymphotaxin, SCM-1-alpha, Small inducible cytokine C1, XC chemokine ligand 1' . 15110 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 . GLY . 15110 1 2 . SER . 15110 1 3 . GLU . 15110 1 4 . VAL . 15110 1 5 . SER . 15110 1 6 . ASP . 15110 1 7 . LYS . 15110 1 8 . ARG . 15110 1 9 . THR . 15110 1 10 . CYS . 15110 1 11 . VAL . 15110 1 12 . SER . 15110 1 13 . LEU . 15110 1 14 . THR . 15110 1 15 . THR . 15110 1 16 . GLN . 15110 1 17 . ARG . 15110 1 18 . LEU . 15110 1 19 . PRO . 15110 1 20 . CYS . 15110 1 21 . SER . 15110 1 22 . ARG . 15110 1 23 . ILE . 15110 1 24 . LYS . 15110 1 25 . THR . 15110 1 26 . TYR . 15110 1 27 . THR . 15110 1 28 . ILE . 15110 1 29 . THR . 15110 1 30 . GLU . 15110 1 31 . GLY . 15110 1 32 . SER . 15110 1 33 . LEU . 15110 1 34 . ARG . 15110 1 35 . ALA . 15110 1 36 . VAL . 15110 1 37 . ILE . 15110 1 38 . PHE . 15110 1 39 . ILE . 15110 1 40 . THR . 15110 1 41 . LYS . 15110 1 42 . ARG . 15110 1 43 . GLY . 15110 1 44 . LEU . 15110 1 45 . LYS . 15110 1 46 . VAL . 15110 1 47 . CYS . 15110 1 48 . ALA . 15110 1 49 . ASP . 15110 1 50 . PRO . 15110 1 51 . GLN . 15110 1 52 . ALA . 15110 1 53 . THR . 15110 1 54 . TRP . 15110 1 55 . VAL . 15110 1 56 . ARG . 15110 1 57 . ASP . 15110 1 58 . CYS . 15110 1 59 . VAL . 15110 1 60 . ARG . 15110 1 61 . SER . 15110 1 62 . MET . 15110 1 63 . ASP . 15110 1 64 . ARG . 15110 1 65 . LYS . 15110 1 66 . SER . 15110 1 67 . ASN . 15110 1 68 . THR . 15110 1 69 . ARG . 15110 1 70 . ASN . 15110 1 71 . ASN . 15110 1 72 . MET . 15110 1 73 . ILE . 15110 1 74 . GLN . 15110 1 75 . THR . 15110 1 76 . LYS . 15110 1 77 . PRO . 15110 1 78 . THR . 15110 1 79 . GLY . 15110 1 80 . THR . 15110 1 81 . GLN . 15110 1 82 . GLN . 15110 1 83 . SER . 15110 1 84 . THR . 15110 1 85 . ASN . 15110 1 86 . THR . 15110 1 87 . ALA . 15110 1 88 . VAL . 15110 1 89 . THR . 15110 1 90 . LEU . 15110 1 91 . THR . 15110 1 92 . GLY . 15110 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 . GLY 1 1 15110 1 . SER 2 2 15110 1 . GLU 3 3 15110 1 . VAL 4 4 15110 1 . SER 5 5 15110 1 . ASP 6 6 15110 1 . LYS 7 7 15110 1 . ARG 8 8 15110 1 . THR 9 9 15110 1 . CYS 10 10 15110 1 . VAL 11 11 15110 1 . SER 12 12 15110 1 . LEU 13 13 15110 1 . THR 14 14 15110 1 . THR 15 15 15110 1 . GLN 16 16 15110 1 . ARG 17 17 15110 1 . LEU 18 18 15110 1 . PRO 19 19 15110 1 . CYS 20 20 15110 1 . SER 21 21 15110 1 . ARG 22 22 15110 1 . ILE 23 23 15110 1 . LYS 24 24 15110 1 . THR 25 25 15110 1 . TYR 26 26 15110 1 . THR 27 27 15110 1 . ILE 28 28 15110 1 . THR 29 29 15110 1 . GLU 30 30 15110 1 . GLY 31 31 15110 1 . SER 32 32 15110 1 . LEU 33 33 15110 1 . ARG 34 34 15110 1 . ALA 35 35 15110 1 . VAL 36 36 15110 1 . ILE 37 37 15110 1 . PHE 38 38 15110 1 . ILE 39 39 15110 1 . THR 40 40 15110 1 . LYS 41 41 15110 1 . ARG 42 42 15110 1 . GLY 43 43 15110 1 . LEU 44 44 15110 1 . LYS 45 45 15110 1 . VAL 46 46 15110 1 . CYS 47 47 15110 1 . ALA 48 48 15110 1 . ASP 49 49 15110 1 . PRO 50 50 15110 1 . GLN 51 51 15110 1 . ALA 52 52 15110 1 . THR 53 53 15110 1 . TRP 54 54 15110 1 . VAL 55 55 15110 1 . ARG 56 56 15110 1 . ASP 57 57 15110 1 . CYS 58 58 15110 1 . VAL 59 59 15110 1 . ARG 60 60 15110 1 . SER 61 61 15110 1 . MET 62 62 15110 1 . ASP 63 63 15110 1 . ARG 64 64 15110 1 . LYS 65 65 15110 1 . SER 66 66 15110 1 . ASN 67 67 15110 1 . THR 68 68 15110 1 . ARG 69 69 15110 1 . ASN 70 70 15110 1 . ASN 71 71 15110 1 . MET 72 72 15110 1 . ILE 73 73 15110 1 . GLN 74 74 15110 1 . THR 75 75 15110 1 . LYS 76 76 15110 1 . PRO 77 77 15110 1 . THR 78 78 15110 1 . GLY 79 79 15110 1 . THR 80 80 15110 1 . GLN 81 81 15110 1 . GLN 82 82 15110 1 . SER 83 83 15110 1 . THR 84 84 15110 1 . ASN 85 85 15110 1 . THR 86 86 15110 1 . ALA 87 87 15110 1 . VAL 88 88 15110 1 . THR 89 89 15110 1 . LEU 90 90 15110 1 . THR 91 91 15110 1 . GLY 92 92 15110 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 15110 _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 $Lymphotactin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'XCL1, LTN, SCYC1' . . . . 15110 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 15110 _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 $Lymphotactin . 'recombinant technology' 'Escherichia coli' bacteria . . . . SG13009[pREP4] . . . . . . . . . . . . . . . pQE308HT . . . . . . 15110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 15110 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM CC3 hLtn, U-15N, 13C; 20 mM phospate buffer, 90% H2O, 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% 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 Lymphotactin '[U-99% 13C; U-99% 15N]' . . 1 $Lymphotactin . . 1 . . mM . . . . 15110 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15110 1 3 H2O . . . . . . . 90 . . % . . . . 15110 1 4 D2O . . . . . . . 10 . . % . . . . 15110 1 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 15110 _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 'ionic strength' 10 . mM 15110 1 pH 6.0 . pH 15110 1 pressure 1 . atm 15110 1 temperature 298 . K 15110 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15110 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15110 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15110 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.' . . 15110 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15110 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15110 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, C, Xia, T.-H., Billeter, M., Guntert, P., Wuthrich, K.' . . 15110 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15110 3 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 15110 _Software.ID 4 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, C., Billeter, M., Guntert, P., Wuthrich, K.' . . 15110 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15110 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15110 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, T., Guntert, P., Wuthrich, K.' . . 15110 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15110 5 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 15110 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, C.D., Kuszewski, J.J, Tjandra, N., Clore, G.M.' . . 15110 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15110 6 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 15110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15110 _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 DRX . 600 . . . 15110 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 15110 _Experiment_list.ID 1 _Experiment_list.Details 'ALL TRIPLE-RESONANCE AND NOESY SPECTRA WERE ACQUIRED USING A CRYOGENIC PROBE' 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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15110 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15110 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15110 1 stop_ 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 15110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15110 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15110 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15110 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 15110 _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 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 15110 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 SER C C 13 174.503 0.1 . 1 . . . . 3 SER C . 15110 1 2 . 1 1 2 2 SER CA C 13 58.660 0.1 . 1 . . . . 3 SER CA . 15110 1 3 . 1 1 2 2 SER CB C 13 64.289 0.1 . 1 . . . . 3 SER CB . 15110 1 4 . 1 1 3 3 GLU H H 1 8.753 0.015 . 1 . . . . 4 GLU H . 15110 1 5 . 1 1 3 3 GLU HA H 1 4.338 0.015 . 1 . . . . 4 GLU HA . 15110 1 6 . 1 1 3 3 GLU HB2 H 1 2.027 0.015 . 2 . . . . 4 GLU HB2 . 15110 1 7 . 1 1 3 3 GLU HB3 H 1 1.963 0.015 . 2 . . . . 4 GLU HB3 . 15110 1 8 . 1 1 3 3 GLU HG2 H 1 2.240 0.015 . 1 . . . . 4 GLU HG2 . 15110 1 9 . 1 1 3 3 GLU HG3 H 1 2.240 0.015 . 1 . . . . 4 GLU HG3 . 15110 1 10 . 1 1 3 3 GLU C C 13 176.778 0.1 . 1 . . . . 4 GLU C . 15110 1 11 . 1 1 3 3 GLU CA C 13 57.095 0.1 . 1 . . . . 4 GLU CA . 15110 1 12 . 1 1 3 3 GLU CB C 13 30.219 0.1 . 1 . . . . 4 GLU CB . 15110 1 13 . 1 1 3 3 GLU CG C 13 36.367 0.1 . 1 . . . . 4 GLU CG . 15110 1 14 . 1 1 3 3 GLU N N 15 123.480 0.1 . 1 . . . . 4 GLU N . 15110 1 15 . 1 1 4 4 VAL H H 1 8.192 0.015 . 1 . . . . 5 VAL H . 15110 1 16 . 1 1 4 4 VAL HA H 1 4.105 0.015 . 1 . . . . 5 VAL HA . 15110 1 17 . 1 1 4 4 VAL HB H 1 2.076 0.015 . 1 . . . . 5 VAL HB . 15110 1 18 . 1 1 4 4 VAL HG11 H 1 0.941 0.015 . 2 . . . . 5 VAL QG1 . 15110 1 19 . 1 1 4 4 VAL HG12 H 1 0.941 0.015 . 2 . . . . 5 VAL QG1 . 15110 1 20 . 1 1 4 4 VAL HG13 H 1 0.941 0.015 . 2 . . . . 5 VAL QG1 . 15110 1 21 . 1 1 4 4 VAL C C 13 176.463 0.1 . 1 . . . . 5 VAL C . 15110 1 22 . 1 1 4 4 VAL CA C 13 62.899 0.1 . 1 . . . . 5 VAL CA . 15110 1 23 . 1 1 4 4 VAL CB C 13 33.131 0.1 . 1 . . . . 5 VAL CB . 15110 1 24 . 1 1 4 4 VAL CG1 C 13 21.266 0.1 . 1 . . . . 5 VAL CG1 . 15110 1 25 . 1 1 4 4 VAL N N 15 120.975 0.1 . 1 . . . . 5 VAL N . 15110 1 26 . 1 1 5 5 SER H H 1 8.265 0.015 . 1 . . . . 6 SER H . 15110 1 27 . 1 1 5 5 SER HA H 1 4.427 0.015 . 1 . . . . 6 SER HA . 15110 1 28 . 1 1 5 5 SER HB2 H 1 3.869 0.015 . 1 . . . . 6 SER HB2 . 15110 1 29 . 1 1 5 5 SER HB3 H 1 3.869 0.015 . 1 . . . . 6 SER HB3 . 15110 1 30 . 1 1 5 5 SER C C 13 174.646 0.1 . 1 . . . . 6 SER C . 15110 1 31 . 1 1 5 5 SER CA C 13 58.551 0.1 . 1 . . . . 6 SER CA . 15110 1 32 . 1 1 5 5 SER CB C 13 63.965 0.1 . 1 . . . . 6 SER CB . 15110 1 33 . 1 1 5 5 SER N N 15 119.016 0.1 . 1 . . . . 6 SER N . 15110 1 34 . 1 1 6 6 ASP H H 1 8.306 0.015 . 1 . . . . 7 ASP H . 15110 1 35 . 1 1 6 6 ASP HA H 1 4.592 0.015 . 1 . . . . 7 ASP HA . 15110 1 36 . 1 1 6 6 ASP HB2 H 1 2.693 0.015 . 1 . . . . 7 ASP HB2 . 15110 1 37 . 1 1 6 6 ASP HB3 H 1 2.693 0.015 . 1 . . . . 7 ASP HB3 . 15110 1 38 . 1 1 6 6 ASP C C 13 176.678 0.1 . 1 . . . . 7 ASP C . 15110 1 39 . 1 1 6 6 ASP CA C 13 54.810 0.1 . 1 . . . . 7 ASP CA . 15110 1 40 . 1 1 6 6 ASP CB C 13 41.544 0.1 . 1 . . . . 7 ASP CB . 15110 1 41 . 1 1 6 6 ASP N N 15 123.127 0.1 . 1 . . . . 7 ASP N . 15110 1 42 . 1 1 7 7 LYS H H 1 8.208 0.015 . 1 . . . . 8 LYS H . 15110 1 43 . 1 1 7 7 LYS HA H 1 4.240 0.015 . 1 . . . . 8 LYS HA . 15110 1 44 . 1 1 7 7 LYS HB2 H 1 1.870 0.015 . 2 . . . . 8 LYS HB2 . 15110 1 45 . 1 1 7 7 LYS HB3 H 1 1.734 0.015 . 2 . . . . 8 LYS HB3 . 15110 1 46 . 1 1 7 7 LYS HG2 H 1 1.446 0.015 . 1 . . . . 8 LYS HG2 . 15110 1 47 . 1 1 7 7 LYS HG3 H 1 1.446 0.015 . 1 . . . . 8 LYS HG3 . 15110 1 48 . 1 1 7 7 LYS HD2 H 1 1.632 0.015 . 1 . . . . 8 LYS HD2 . 15110 1 49 . 1 1 7 7 LYS HD3 H 1 1.632 0.015 . 1 . . . . 8 LYS HD3 . 15110 1 50 . 1 1 7 7 LYS HE2 H 1 2.966 0.015 . 1 . . . . 8 LYS HE2 . 15110 1 51 . 1 1 7 7 LYS HE3 H 1 2.966 0.015 . 1 . . . . 8 LYS HE3 . 15110 1 52 . 1 1 7 7 LYS C C 13 176.964 0.1 . 1 . . . . 8 LYS C . 15110 1 53 . 1 1 7 7 LYS CA C 13 57.075 0.1 . 1 . . . . 8 LYS CA . 15110 1 54 . 1 1 7 7 LYS CB C 13 32.726 0.1 . 1 . . . . 8 LYS CB . 15110 1 55 . 1 1 7 7 LYS CG C 13 25.022 0.1 . 1 . . . . 8 LYS CG . 15110 1 56 . 1 1 7 7 LYS CD C 13 29.572 0.1 . 1 . . . . 8 LYS CD . 15110 1 57 . 1 1 7 7 LYS CE C 13 42.515 0.1 . 1 . . . . 8 LYS CE . 15110 1 58 . 1 1 7 7 LYS N N 15 121.457 0.1 . 1 . . . . 8 LYS N . 15110 1 59 . 1 1 8 8 ARG H H 1 8.265 0.015 . 1 . . . . 9 ARG H . 15110 1 60 . 1 1 8 8 ARG HA H 1 4.329 0.015 . 1 . . . . 9 ARG HA . 15110 1 61 . 1 1 8 8 ARG HB2 H 1 1.869 0.015 . 2 . . . . 9 ARG HB2 . 15110 1 62 . 1 1 8 8 ARG HB3 H 1 1.776 0.015 . 2 . . . . 9 ARG HB3 . 15110 1 63 . 1 1 8 8 ARG HG2 H 1 1.630 0.015 . 1 . . . . 9 ARG HG2 . 15110 1 64 . 1 1 8 8 ARG HG3 H 1 1.630 0.015 . 1 . . . . 9 ARG HG3 . 15110 1 65 . 1 1 8 8 ARG HD2 H 1 3.193 0.015 . 1 . . . . 9 ARG HD2 . 15110 1 66 . 1 1 8 8 ARG HD3 H 1 3.193 0.015 . 1 . . . . 9 ARG HD3 . 15110 1 67 . 1 1 8 8 ARG C C 13 176.091 0.1 . 1 . . . . 9 ARG C . 15110 1 68 . 1 1 8 8 ARG CA C 13 56.529 0.1 . 1 . . . . 9 ARG CA . 15110 1 69 . 1 1 8 8 ARG CB C 13 30.866 0.1 . 1 . . . . 9 ARG CB . 15110 1 70 . 1 1 8 8 ARG CG C 13 27.287 0.1 . 1 . . . . 9 ARG CG . 15110 1 71 . 1 1 8 8 ARG CD C 13 43.950 0.1 . 1 . . . . 9 ARG CD . 15110 1 72 . 1 1 8 8 ARG N N 15 120.461 0.1 . 1 . . . . 9 ARG N . 15110 1 73 . 1 1 9 9 THR H H 1 7.923 0.015 . 1 . . . . 10 THR H . 15110 1 74 . 1 1 9 9 THR HA H 1 4.332 0.015 . 1 . . . . 10 THR HA . 15110 1 75 . 1 1 9 9 THR HB H 1 4.086 0.015 . 1 . . . . 10 THR HB . 15110 1 76 . 1 1 9 9 THR HG21 H 1 1.169 0.015 . 1 . . . . 10 THR QG2 . 15110 1 77 . 1 1 9 9 THR HG22 H 1 1.169 0.015 . 1 . . . . 10 THR QG2 . 15110 1 78 . 1 1 9 9 THR HG23 H 1 1.169 0.015 . 1 . . . . 10 THR QG2 . 15110 1 79 . 1 1 9 9 THR C C 13 174.274 0.1 . 1 . . . . 10 THR C . 15110 1 80 . 1 1 9 9 THR CA C 13 62.252 0.1 . 1 . . . . 10 THR CA . 15110 1 81 . 1 1 9 9 THR CB C 13 69.951 0.1 . 1 . . . . 10 THR CB . 15110 1 82 . 1 1 9 9 THR CG2 C 13 22.136 0.1 . 1 . . . . 10 THR CG2 . 15110 1 83 . 1 1 9 9 THR N N 15 114.841 0.1 . 1 . . . . 10 THR N . 15110 1 84 . 1 1 10 10 CYS H H 1 8.389 0.015 . 1 . . . . 11 CYS H . 15110 1 85 . 1 1 10 10 CYS HA H 1 4.891 0.015 . 1 . . . . 11 CYS HA . 15110 1 86 . 1 1 10 10 CYS HB2 H 1 2.819 0.015 . 1 . . . . 11 CYS HB2 . 15110 1 87 . 1 1 10 10 CYS HB3 H 1 2.819 0.015 . 1 . . . . 11 CYS HB3 . 15110 1 88 . 1 1 10 10 CYS C C 13 173.887 0.1 . 1 . . . . 11 CYS C . 15110 1 89 . 1 1 10 10 CYS CA C 13 54.709 0.1 . 1 . . . . 11 CYS CA . 15110 1 90 . 1 1 10 10 CYS CB C 13 43.787 0.1 . 1 . . . . 11 CYS CB . 15110 1 91 . 1 1 10 10 CYS N N 15 119.285 0.1 . 1 . . . . 11 CYS N . 15110 1 92 . 1 1 11 11 VAL H H 1 8.694 0.015 . 1 . . . . 12 VAL H . 15110 1 93 . 1 1 11 11 VAL HA H 1 4.083 0.015 . 1 . . . . 12 VAL HA . 15110 1 94 . 1 1 11 11 VAL HB H 1 2.149 0.015 . 1 . . . . 12 VAL HB . 15110 1 95 . 1 1 11 11 VAL HG11 H 1 0.943 0.015 . 2 . . . . 12 VAL QG1 . 15110 1 96 . 1 1 11 11 VAL HG12 H 1 0.943 0.015 . 2 . . . . 12 VAL QG1 . 15110 1 97 . 1 1 11 11 VAL HG13 H 1 0.943 0.015 . 2 . . . . 12 VAL QG1 . 15110 1 98 . 1 1 11 11 VAL C C 13 175.662 0.1 . 1 . . . . 12 VAL C . 15110 1 99 . 1 1 11 11 VAL CA C 13 63.546 0.1 . 1 . . . . 12 VAL CA . 15110 1 100 . 1 1 11 11 VAL CB C 13 32.707 0.1 . 1 . . . . 12 VAL CB . 15110 1 101 . 1 1 11 11 VAL CG1 C 13 21.165 0.1 . 1 . . . . 12 VAL CG1 . 15110 1 102 . 1 1 11 11 VAL N N 15 120.165 0.1 . 1 . . . . 12 VAL N . 15110 1 103 . 1 1 12 12 SER H H 1 7.736 0.015 . 1 . . . . 13 SER H . 15110 1 104 . 1 1 12 12 SER HA H 1 4.529 0.015 . 1 . . . . 13 SER HA . 15110 1 105 . 1 1 12 12 SER HB2 H 1 3.821 0.015 . 1 . . . . 13 SER HB2 . 15110 1 106 . 1 1 12 12 SER HB3 H 1 3.821 0.015 . 1 . . . . 13 SER HB3 . 15110 1 107 . 1 1 12 12 SER C C 13 172.928 0.1 . 1 . . . . 13 SER C . 15110 1 108 . 1 1 12 12 SER CA C 13 57.055 0.1 . 1 . . . . 13 SER CA . 15110 1 109 . 1 1 12 12 SER CB C 13 65.158 0.1 . 1 . . . . 13 SER CB . 15110 1 110 . 1 1 12 12 SER N N 15 114.038 0.1 . 1 . . . . 13 SER N . 15110 1 111 . 1 1 13 13 LEU H H 1 8.534 0.015 . 1 . . . . 14 LEU H . 15110 1 112 . 1 1 13 13 LEU HA H 1 4.551 0.015 . 1 . . . . 14 LEU HA . 15110 1 113 . 1 1 13 13 LEU HB2 H 1 1.782 0.015 . 2 . . . . 14 LEU HB2 . 15110 1 114 . 1 1 13 13 LEU HB3 H 1 1.399 0.015 . 2 . . . . 14 LEU HB3 . 15110 1 115 . 1 1 13 13 LEU HG H 1 1.634 0.015 . 1 . . . . 14 LEU HG . 15110 1 116 . 1 1 13 13 LEU HD11 H 1 0.916 0.015 . 2 . . . . 14 LEU QD1 . 15110 1 117 . 1 1 13 13 LEU HD12 H 1 0.916 0.015 . 2 . . . . 14 LEU QD1 . 15110 1 118 . 1 1 13 13 LEU HD13 H 1 0.916 0.015 . 2 . . . . 14 LEU QD1 . 15110 1 119 . 1 1 13 13 LEU HD21 H 1 0.661 0.015 . 2 . . . . 14 LEU QD2 . 15110 1 120 . 1 1 13 13 LEU HD22 H 1 0.661 0.015 . 2 . . . . 14 LEU QD2 . 15110 1 121 . 1 1 13 13 LEU HD23 H 1 0.661 0.015 . 2 . . . . 14 LEU QD2 . 15110 1 122 . 1 1 13 13 LEU C C 13 177.822 0.1 . 1 . . . . 14 LEU C . 15110 1 123 . 1 1 13 13 LEU CA C 13 54.304 0.1 . 1 . . . . 14 LEU CA . 15110 1 124 . 1 1 13 13 LEU CB C 13 43.162 0.1 . 1 . . . . 14 LEU CB . 15110 1 125 . 1 1 13 13 LEU CG C 13 27.004 0.1 . 1 . . . . 14 LEU CG . 15110 1 126 . 1 1 13 13 LEU CD1 C 13 25.690 0.1 . 1 . . . . 14 LEU CD1 . 15110 1 127 . 1 1 13 13 LEU CD2 C 13 23.526 0.1 . 1 . . . . 14 LEU CD2 . 15110 1 128 . 1 1 13 13 LEU N N 15 121.778 0.1 . 1 . . . . 14 LEU N . 15110 1 129 . 1 1 14 14 THR H H 1 8.851 0.015 . 1 . . . . 15 THR H . 15110 1 130 . 1 1 14 14 THR HA H 1 4.605 0.015 . 1 . . . . 15 THR HA . 15110 1 131 . 1 1 14 14 THR HB H 1 4.426 0.015 . 1 . . . . 15 THR HB . 15110 1 132 . 1 1 14 14 THR HG21 H 1 1.449 0.015 . 1 . . . . 15 THR QG2 . 15110 1 133 . 1 1 14 14 THR HG22 H 1 1.449 0.015 . 1 . . . . 15 THR QG2 . 15110 1 134 . 1 1 14 14 THR HG23 H 1 1.449 0.015 . 1 . . . . 15 THR QG2 . 15110 1 135 . 1 1 14 14 THR C C 13 174.588 0.1 . 1 . . . . 15 THR C . 15110 1 136 . 1 1 14 14 THR CA C 13 62.151 0.1 . 1 . . . . 15 THR CA . 15110 1 137 . 1 1 14 14 THR CB C 13 70.012 0.1 . 1 . . . . 15 THR CB . 15110 1 138 . 1 1 14 14 THR CG2 C 13 21.165 0.1 . 1 . . . . 15 THR CG2 . 15110 1 139 . 1 1 14 14 THR N N 15 117.186 0.1 . 1 . . . . 15 THR N . 15110 1 140 . 1 1 15 15 THR H H 1 8.420 0.015 . 1 . . . . 16 THR H . 15110 1 141 . 1 1 15 15 THR HA H 1 4.613 0.015 . 1 . . . . 16 THR HA . 15110 1 142 . 1 1 15 15 THR HB H 1 4.514 0.015 . 1 . . . . 16 THR HB . 15110 1 143 . 1 1 15 15 THR HG21 H 1 1.312 0.015 . 1 . . . . 16 THR QG2 . 15110 1 144 . 1 1 15 15 THR HG22 H 1 1.312 0.015 . 1 . . . . 16 THR QG2 . 15110 1 145 . 1 1 15 15 THR HG23 H 1 1.312 0.015 . 1 . . . . 16 THR QG2 . 15110 1 146 . 1 1 15 15 THR C C 13 175.275 0.1 . 1 . . . . 16 THR C . 15110 1 147 . 1 1 15 15 THR CA C 13 61.827 0.1 . 1 . . . . 16 THR CA . 15110 1 148 . 1 1 15 15 THR CB C 13 69.587 0.1 . 1 . . . . 16 THR CB . 15110 1 149 . 1 1 15 15 THR CG2 C 13 21.873 0.1 . 1 . . . . 16 THR CG2 . 15110 1 150 . 1 1 15 15 THR N N 15 115.387 0.1 . 1 . . . . 16 THR N . 15110 1 151 . 1 1 16 16 GLN H H 1 8.159 0.015 . 1 . . . . 17 GLN H . 15110 1 152 . 1 1 16 16 GLN HA H 1 4.243 0.015 . 1 . . . . 17 GLN HA . 15110 1 153 . 1 1 16 16 GLN HB2 H 1 1.966 0.015 . 2 . . . . 17 GLN HB2 . 15110 1 154 . 1 1 16 16 GLN HB3 H 1 1.866 0.015 . 2 . . . . 17 GLN HB3 . 15110 1 155 . 1 1 16 16 GLN HG2 H 1 2.282 0.015 . 1 . . . . 17 GLN HG2 . 15110 1 156 . 1 1 16 16 GLN HG3 H 1 2.282 0.015 . 1 . . . . 17 GLN HG3 . 15110 1 157 . 1 1 16 16 GLN C C 13 174.188 0.1 . 1 . . . . 17 GLN C . 15110 1 158 . 1 1 16 16 GLN CA C 13 56.084 0.1 . 1 . . . . 17 GLN CA . 15110 1 159 . 1 1 16 16 GLN CB C 13 30.037 0.1 . 1 . . . . 17 GLN CB . 15110 1 160 . 1 1 16 16 GLN CG C 13 34.244 0.1 . 1 . . . . 17 GLN CG . 15110 1 161 . 1 1 16 16 GLN N N 15 124.315 0.1 . 1 . . . . 17 GLN N . 15110 1 162 . 1 1 17 17 ARG H H 1 7.875 0.015 . 1 . . . . 18 ARG H . 15110 1 163 . 1 1 17 17 ARG HA H 1 2.286 0.015 . 1 . . . . 18 ARG HA . 15110 1 164 . 1 1 17 17 ARG HB2 H 1 0.849 0.015 . 1 . . . . 18 ARG HB2 . 15110 1 165 . 1 1 17 17 ARG HB3 H 1 0.849 0.015 . 1 . . . . 18 ARG HB3 . 15110 1 166 . 1 1 17 17 ARG HG2 H 1 0.693 0.015 . 2 . . . . 18 ARG HG2 . 15110 1 167 . 1 1 17 17 ARG HG3 H 1 0.565 0.015 . 2 . . . . 18 ARG HG3 . 15110 1 168 . 1 1 17 17 ARG HD2 H 1 2.781 0.015 . 1 . . . . 18 ARG HD2 . 15110 1 169 . 1 1 17 17 ARG HD3 H 1 2.781 0.015 . 1 . . . . 18 ARG HD3 . 15110 1 170 . 1 1 17 17 ARG CA C 13 55.801 0.1 . 1 . . . . 18 ARG CA . 15110 1 171 . 1 1 17 17 ARG CB C 13 30.765 0.1 . 1 . . . . 18 ARG CB . 15110 1 172 . 1 1 17 17 ARG CG C 13 26.357 0.1 . 1 . . . . 18 ARG CG . 15110 1 173 . 1 1 17 17 ARG CD C 13 43.667 0.1 . 1 . . . . 18 ARG CD . 15110 1 174 . 1 1 17 17 ARG N N 15 121.553 0.1 . 1 . . . . 18 ARG N . 15110 1 175 . 1 1 18 18 LEU H H 1 4.991 0.015 . 1 . . . . 19 LEU H . 15110 1 176 . 1 1 18 18 LEU HA H 1 4.542 0.015 . 1 . . . . 19 LEU HA . 15110 1 177 . 1 1 18 18 LEU HB2 H 1 1.275 0.015 . 1 . . . . 19 LEU HB2 . 15110 1 178 . 1 1 18 18 LEU HB3 H 1 1.275 0.015 . 1 . . . . 19 LEU HB3 . 15110 1 179 . 1 1 18 18 LEU HG H 1 1.486 0.015 . 1 . . . . 19 LEU HG . 15110 1 180 . 1 1 18 18 LEU HD11 H 1 0.795 0.015 . 2 . . . . 19 LEU QD1 . 15110 1 181 . 1 1 18 18 LEU HD12 H 1 0.795 0.015 . 2 . . . . 19 LEU QD1 . 15110 1 182 . 1 1 18 18 LEU HD13 H 1 0.795 0.015 . 2 . . . . 19 LEU QD1 . 15110 1 183 . 1 1 18 18 LEU HD21 H 1 0.744 0.015 . 2 . . . . 19 LEU QD2 . 15110 1 184 . 1 1 18 18 LEU HD22 H 1 0.744 0.015 . 2 . . . . 19 LEU QD2 . 15110 1 185 . 1 1 18 18 LEU HD23 H 1 0.744 0.015 . 2 . . . . 19 LEU QD2 . 15110 1 186 . 1 1 18 18 LEU CA C 13 51.554 0.1 . 1 . . . . 19 LEU CA . 15110 1 187 . 1 1 18 18 LEU CB C 13 44.132 0.1 . 1 . . . . 19 LEU CB . 15110 1 188 . 1 1 18 18 LEU CG C 13 26.842 0.1 . 1 . . . . 19 LEU CG . 15110 1 189 . 1 1 18 18 LEU CD1 C 13 25.548 0.1 . 1 . . . . 19 LEU CD1 . 15110 1 190 . 1 1 18 18 LEU CD2 C 13 25.042 0.1 . 1 . . . . 19 LEU CD2 . 15110 1 191 . 1 1 18 18 LEU N N 15 124.524 0.1 . 1 . . . . 19 LEU N . 15110 1 192 . 1 1 19 19 PRO HA H 1 4.392 0.015 . 1 . . . . 20 PRO HA . 15110 1 193 . 1 1 19 19 PRO HB2 H 1 2.315 0.015 . 2 . . . . 20 PRO HB2 . 15110 1 194 . 1 1 19 19 PRO HB3 H 1 1.803 0.015 . 2 . . . . 20 PRO HB3 . 15110 1 195 . 1 1 19 19 PRO HG2 H 1 1.976 0.015 . 2 . . . . 20 PRO HG2 . 15110 1 196 . 1 1 19 19 PRO HG3 H 1 1.909 0.015 . 2 . . . . 20 PRO HG3 . 15110 1 197 . 1 1 19 19 PRO HD2 H 1 3.742 0.015 . 2 . . . . 20 PRO HD2 . 15110 1 198 . 1 1 19 19 PRO HD3 H 1 3.262 0.015 . 2 . . . . 20 PRO HD3 . 15110 1 199 . 1 1 19 19 PRO C C 13 178.567 0.1 . 1 . . . . 20 PRO C . 15110 1 200 . 1 1 19 19 PRO CA C 13 62.575 0.1 . 1 . . . . 20 PRO CA . 15110 1 201 . 1 1 19 19 PRO CB C 13 31.755 0.1 . 1 . . . . 20 PRO CB . 15110 1 202 . 1 1 19 19 PRO CG C 13 27.894 0.1 . 1 . . . . 20 PRO CG . 15110 1 203 . 1 1 19 19 PRO CD C 13 50.927 0.1 . 1 . . . . 20 PRO CD . 15110 1 204 . 1 1 20 20 CYS H H 1 8.542 0.015 . 1 . . . . 21 CYS H . 15110 1 205 . 1 1 20 20 CYS HA H 1 4.240 0.015 . 1 . . . . 21 CYS HA . 15110 1 206 . 1 1 20 20 CYS HB2 H 1 3.121 0.015 . 2 . . . . 21 CYS HB2 . 15110 1 207 . 1 1 20 20 CYS HB3 H 1 2.927 0.015 . 2 . . . . 21 CYS HB3 . 15110 1 208 . 1 1 20 20 CYS C C 13 177.322 0.1 . 1 . . . . 21 CYS C . 15110 1 209 . 1 1 20 20 CYS CA C 13 56.428 0.1 . 1 . . . . 21 CYS CA . 15110 1 210 . 1 1 20 20 CYS CB C 13 35.336 0.1 . 1 . . . . 21 CYS CB . 15110 1 211 . 1 1 20 20 CYS N N 15 123.512 0.1 . 1 . . . . 21 CYS N . 15110 1 212 . 1 1 21 21 SER H H 1 8.306 0.015 . 1 . . . . 22 SER H . 15110 1 213 . 1 1 21 21 SER HA H 1 4.224 0.015 . 1 . . . . 22 SER HA . 15110 1 214 . 1 1 21 21 SER HB2 H 1 4.009 0.015 . 2 . . . . 22 SER HB2 . 15110 1 215 . 1 1 21 21 SER HB3 H 1 3.885 0.015 . 2 . . . . 22 SER HB3 . 15110 1 216 . 1 1 21 21 SER C C 13 175.519 0.1 . 1 . . . . 22 SER C . 15110 1 217 . 1 1 21 21 SER CA C 13 60.310 0.1 . 1 . . . . 22 SER CA . 15110 1 218 . 1 1 21 21 SER CB C 13 62.899 0.1 . 1 . . . . 22 SER CB . 15110 1 219 . 1 1 21 21 SER N N 15 112.272 0.1 . 1 . . . . 22 SER N . 15110 1 220 . 1 1 22 22 ARG H H 1 7.631 0.015 . 1 . . . . 23 ARG H . 15110 1 221 . 1 1 22 22 ARG HA H 1 4.405 0.015 . 1 . . . . 23 ARG HA . 15110 1 222 . 1 1 22 22 ARG HB2 H 1 2.221 0.015 . 2 . . . . 23 ARG HB2 . 15110 1 223 . 1 1 22 22 ARG HB3 H 1 1.696 0.015 . 2 . . . . 23 ARG HB3 . 15110 1 224 . 1 1 22 22 ARG HG2 H 1 1.772 0.015 . 2 . . . . 23 ARG HG2 . 15110 1 225 . 1 1 22 22 ARG HG3 H 1 1.671 0.015 . 2 . . . . 23 ARG HG3 . 15110 1 226 . 1 1 22 22 ARG HD2 H 1 3.135 0.015 . 1 . . . . 23 ARG HD2 . 15110 1 227 . 1 1 22 22 ARG HD3 H 1 3.135 0.015 . 1 . . . . 23 ARG HD3 . 15110 1 228 . 1 1 22 22 ARG C C 13 175.776 0.1 . 1 . . . . 23 ARG C . 15110 1 229 . 1 1 22 22 ARG CA C 13 56.104 0.1 . 1 . . . . 23 ARG CA . 15110 1 230 . 1 1 22 22 ARG CB C 13 30.421 0.1 . 1 . . . . 23 ARG CB . 15110 1 231 . 1 1 22 22 ARG CG C 13 27.954 0.1 . 1 . . . . 23 ARG CG . 15110 1 232 . 1 1 22 22 ARG CD C 13 43.506 0.1 . 1 . . . . 23 ARG CD . 15110 1 233 . 1 1 22 22 ARG N N 15 118.920 0.1 . 1 . . . . 23 ARG N . 15110 1 234 . 1 1 23 23 ILE H H 1 7.744 0.015 . 1 . . . . 24 ILE H . 15110 1 235 . 1 1 23 23 ILE HA H 1 3.773 0.015 . 1 . . . . 24 ILE HA . 15110 1 236 . 1 1 23 23 ILE HB H 1 1.982 0.015 . 1 . . . . 24 ILE HB . 15110 1 237 . 1 1 23 23 ILE HG12 H 1 1.409 0.015 . 2 . . . . 24 ILE HG12 . 15110 1 238 . 1 1 23 23 ILE HG13 H 1 0.523 0.015 . 2 . . . . 24 ILE HG13 . 15110 1 239 . 1 1 23 23 ILE HG21 H 1 0.910 0.015 . 1 . . . . 24 ILE QG2 . 15110 1 240 . 1 1 23 23 ILE HG22 H 1 0.910 0.015 . 1 . . . . 24 ILE QG2 . 15110 1 241 . 1 1 23 23 ILE HG23 H 1 0.910 0.015 . 1 . . . . 24 ILE QG2 . 15110 1 242 . 1 1 23 23 ILE HD11 H 1 0.165 0.015 . 1 . . . . 24 ILE QD1 . 15110 1 243 . 1 1 23 23 ILE HD12 H 1 0.165 0.015 . 1 . . . . 24 ILE QD1 . 15110 1 244 . 1 1 23 23 ILE HD13 H 1 0.165 0.015 . 1 . . . . 24 ILE QD1 . 15110 1 245 . 1 1 23 23 ILE C C 13 174.288 0.1 . 1 . . . . 24 ILE C . 15110 1 246 . 1 1 23 23 ILE CA C 13 62.899 0.1 . 1 . . . . 24 ILE CA . 15110 1 247 . 1 1 23 23 ILE CB C 13 39.279 0.1 . 1 . . . . 24 ILE CB . 15110 1 248 . 1 1 23 23 ILE CG1 C 13 28.602 0.1 . 1 . . . . 24 ILE CG1 . 15110 1 249 . 1 1 23 23 ILE CG2 C 13 19.406 0.1 . 1 . . . . 24 ILE CG2 . 15110 1 250 . 1 1 23 23 ILE CD1 C 13 13.016 0.1 . 1 . . . . 24 ILE CD1 . 15110 1 251 . 1 1 23 23 ILE N N 15 121.457 0.1 . 1 . . . . 24 ILE N . 15110 1 252 . 1 1 24 24 LYS H H 1 9.429 0.015 . 1 . . . . 25 LYS H . 15110 1 253 . 1 1 24 24 LYS HA H 1 4.426 0.015 . 1 . . . . 25 LYS HA . 15110 1 254 . 1 1 24 24 LYS HB2 H 1 1.740 0.015 . 2 . . . . 25 LYS HB2 . 15110 1 255 . 1 1 24 24 LYS HB3 H 1 1.428 0.015 . 2 . . . . 25 LYS HB3 . 15110 1 256 . 1 1 24 24 LYS HG2 H 1 1.351 0.015 . 1 . . . . 25 LYS HG2 . 15110 1 257 . 1 1 24 24 LYS HG3 H 1 1.351 0.015 . 1 . . . . 25 LYS HG3 . 15110 1 258 . 1 1 24 24 LYS HD2 H 1 1.774 0.015 . 2 . . . . 25 LYS HD2 . 15110 1 259 . 1 1 24 24 LYS HD3 H 1 1.632 0.015 . 2 . . . . 25 LYS HD3 . 15110 1 260 . 1 1 24 24 LYS HE2 H 1 2.983 0.015 . 1 . . . . 25 LYS HE2 . 15110 1 261 . 1 1 24 24 LYS HE3 H 1 2.983 0.015 . 1 . . . . 25 LYS HE3 . 15110 1 262 . 1 1 24 24 LYS C C 13 175.976 0.1 . 1 . . . . 25 LYS C . 15110 1 263 . 1 1 24 24 LYS CA C 13 57.722 0.1 . 1 . . . . 25 LYS CA . 15110 1 264 . 1 1 24 24 LYS CB C 13 35.720 0.1 . 1 . . . . 25 LYS CB . 15110 1 265 . 1 1 24 24 LYS CG C 13 25.042 0.1 . 1 . . . . 25 LYS CG . 15110 1 266 . 1 1 24 24 LYS CD C 13 29.810 0.1 . 1 . . . . 25 LYS CD . 15110 1 267 . 1 1 24 24 LYS CE C 13 42.252 0.1 . 1 . . . . 25 LYS CE . 15110 1 268 . 1 1 24 24 LYS N N 15 127.205 0.1 . 1 . . . . 25 LYS N . 15110 1 269 . 1 1 25 25 THR H H 1 7.842 0.015 . 1 . . . . 26 THR H . 15110 1 270 . 1 1 25 25 THR HA H 1 4.321 0.015 . 1 . . . . 26 THR HA . 15110 1 271 . 1 1 25 25 THR HB H 1 4.247 0.015 . 1 . . . . 26 THR HB . 15110 1 272 . 1 1 25 25 THR HG21 H 1 1.079 0.015 . 1 . . . . 26 THR QG2 . 15110 1 273 . 1 1 25 25 THR HG22 H 1 1.079 0.015 . 1 . . . . 26 THR QG2 . 15110 1 274 . 1 1 25 25 THR HG23 H 1 1.079 0.015 . 1 . . . . 26 THR QG2 . 15110 1 275 . 1 1 25 25 THR C C 13 171.741 0.1 . 1 . . . . 26 THR C . 15110 1 276 . 1 1 25 25 THR CA C 13 60.816 0.1 . 1 . . . . 26 THR CA . 15110 1 277 . 1 1 25 25 THR CB C 13 70.598 0.1 . 1 . . . . 26 THR CB . 15110 1 278 . 1 1 25 25 THR CG2 C 13 20.538 0.1 . 1 . . . . 26 THR CG2 . 15110 1 279 . 1 1 25 25 THR N N 15 109.864 0.1 . 1 . . . . 26 THR N . 15110 1 280 . 1 1 26 26 TYR H H 1 8.322 0.015 . 1 . . . . 27 TYR H . 15110 1 281 . 1 1 26 26 TYR HA H 1 6.022 0.015 . 1 . . . . 27 TYR HA . 15110 1 282 . 1 1 26 26 TYR HB2 H 1 2.890 0.015 . 2 . . . . 27 TYR HB2 . 15110 1 283 . 1 1 26 26 TYR HB3 H 1 2.797 0.015 . 2 . . . . 27 TYR HB3 . 15110 1 284 . 1 1 26 26 TYR HD1 H 1 6.831 0.015 . 1 . . . . 27 TYR HD1 . 15110 1 285 . 1 1 26 26 TYR HD2 H 1 6.831 0.015 . 1 . . . . 27 TYR HD2 . 15110 1 286 . 1 1 26 26 TYR HE1 H 1 6.732 0.015 . 1 . . . . 27 TYR HE1 . 15110 1 287 . 1 1 26 26 TYR HE2 H 1 6.732 0.015 . 1 . . . . 27 TYR HE2 . 15110 1 288 . 1 1 26 26 TYR C C 13 173.529 0.1 . 1 . . . . 27 TYR C . 15110 1 289 . 1 1 26 26 TYR CA C 13 56.205 0.1 . 1 . . . . 27 TYR CA . 15110 1 290 . 1 1 26 26 TYR CB C 13 44.132 0.1 . 1 . . . . 27 TYR CB . 15110 1 291 . 1 1 26 26 TYR CD1 C 13 132.824 0.1 . 1 . . . . 27 TYR CD1 . 15110 1 292 . 1 1 26 26 TYR CE1 C 13 118.588 0.1 . 1 . . . . 27 TYR CE1 . 15110 1 293 . 1 1 26 26 TYR N N 15 118.631 0.1 . 1 . . . . 27 TYR N . 15110 1 294 . 1 1 27 27 THR H H 1 8.680 0.015 . 1 . . . . 28 THR H . 15110 1 295 . 1 1 27 27 THR HA H 1 4.313 0.015 . 1 . . . . 28 THR HA . 15110 1 296 . 1 1 27 27 THR HB H 1 4.013 0.015 . 1 . . . . 28 THR HB . 15110 1 297 . 1 1 27 27 THR HG21 H 1 1.079 0.015 . 1 . . . . 28 THR QG2 . 15110 1 298 . 1 1 27 27 THR HG22 H 1 1.079 0.015 . 1 . . . . 28 THR QG2 . 15110 1 299 . 1 1 27 27 THR HG23 H 1 1.079 0.015 . 1 . . . . 28 THR QG2 . 15110 1 300 . 1 1 27 27 THR C C 13 172.342 0.1 . 1 . . . . 28 THR C . 15110 1 301 . 1 1 27 27 THR CA C 13 60.958 0.1 . 1 . . . . 28 THR CA . 15110 1 302 . 1 1 27 27 THR CB C 13 71.690 0.1 . 1 . . . . 28 THR CB . 15110 1 303 . 1 1 27 27 THR CG2 C 13 21.186 0.1 . 1 . . . . 28 THR CG2 . 15110 1 304 . 1 1 27 27 THR N N 15 115.098 0.1 . 1 . . . . 28 THR N . 15110 1 305 . 1 1 28 28 ILE H H 1 8.512 0.015 . 1 . . . . 29 ILE H . 15110 1 306 . 1 1 28 28 ILE HA H 1 4.931 0.015 . 1 . . . . 29 ILE HA . 15110 1 307 . 1 1 28 28 ILE HB H 1 1.845 0.015 . 1 . . . . 29 ILE HB . 15110 1 308 . 1 1 28 28 ILE HG12 H 1 1.646 0.015 . 2 . . . . 29 ILE HG12 . 15110 1 309 . 1 1 28 28 ILE HG13 H 1 1.194 0.015 . 2 . . . . 29 ILE HG13 . 15110 1 310 . 1 1 28 28 ILE HG21 H 1 0.949 0.015 . 1 . . . . 29 ILE QG2 . 15110 1 311 . 1 1 28 28 ILE HG22 H 1 0.949 0.015 . 1 . . . . 29 ILE QG2 . 15110 1 312 . 1 1 28 28 ILE HG23 H 1 0.949 0.015 . 1 . . . . 29 ILE QG2 . 15110 1 313 . 1 1 28 28 ILE HD11 H 1 0.889 0.015 . 1 . . . . 29 ILE QD1 . 15110 1 314 . 1 1 28 28 ILE HD12 H 1 0.889 0.015 . 1 . . . . 29 ILE QD1 . 15110 1 315 . 1 1 28 28 ILE HD13 H 1 0.889 0.015 . 1 . . . . 29 ILE QD1 . 15110 1 316 . 1 1 28 28 ILE C C 13 176.649 0.1 . 1 . . . . 29 ILE C . 15110 1 317 . 1 1 28 28 ILE CA C 13 60.209 0.1 . 1 . . . . 29 ILE CA . 15110 1 318 . 1 1 28 28 ILE CB C 13 39.926 0.1 . 1 . . . . 29 ILE CB . 15110 1 319 . 1 1 28 28 ILE CG1 C 13 27.874 0.1 . 1 . . . . 29 ILE CG1 . 15110 1 320 . 1 1 28 28 ILE CG2 C 13 17.606 0.1 . 1 . . . . 29 ILE CG2 . 15110 1 321 . 1 1 28 28 ILE CD1 C 13 13.014 0.1 . 1 . . . . 29 ILE CD1 . 15110 1 322 . 1 1 28 28 ILE N N 15 122.980 0.1 . 1 . . . . 29 ILE N . 15110 1 323 . 1 1 29 29 THR H H 1 8.566 0.015 . 1 . . . . 30 THR H . 15110 1 324 . 1 1 29 29 THR HA H 1 4.519 0.015 . 1 . . . . 30 THR HA . 15110 1 325 . 1 1 29 29 THR HB H 1 4.381 0.015 . 1 . . . . 30 THR HB . 15110 1 326 . 1 1 29 29 THR HG21 H 1 1.216 0.015 . 1 . . . . 30 THR QG2 . 15110 1 327 . 1 1 29 29 THR HG22 H 1 1.216 0.015 . 1 . . . . 30 THR QG2 . 15110 1 328 . 1 1 29 29 THR HG23 H 1 1.216 0.015 . 1 . . . . 30 THR QG2 . 15110 1 329 . 1 1 29 29 THR CA C 13 61.382 0.1 . 1 . . . . 30 THR CA . 15110 1 330 . 1 1 29 29 THR CB C 13 70.982 0.1 . 1 . . . . 30 THR CB . 15110 1 331 . 1 1 29 29 THR N N 15 118.759 0.1 . 1 . . . . 30 THR N . 15110 1 332 . 1 1 30 30 GLU H H 1 8.402 0.015 . 1 . . . . 31 GLU H . 15110 1 333 . 1 1 30 30 GLU HA H 1 4.546 0.015 . 1 . . . . 31 GLU HA . 15110 1 334 . 1 1 30 30 GLU HB2 H 1 2.111 0.015 . 2 . . . . 31 GLU HB2 . 15110 1 335 . 1 1 30 30 GLU HB3 H 1 1.848 0.015 . 2 . . . . 31 GLU HB3 . 15110 1 336 . 1 1 30 30 GLU HG2 H 1 2.219 0.015 . 1 . . . . 31 GLU HG2 . 15110 1 337 . 1 1 30 30 GLU HG3 H 1 2.219 0.015 . 1 . . . . 31 GLU HG3 . 15110 1 338 . 1 1 30 30 GLU CA C 13 55.396 0.1 . 1 . . . . 31 GLU CA . 15110 1 339 . 1 1 30 30 GLU CB C 13 31.478 0.1 . 1 . . . . 31 GLU CB . 15110 1 340 . 1 1 30 30 GLU CG C 13 36.367 0.1 . 1 . . . . 31 GLU CG . 15110 1 341 . 1 1 30 30 GLU N N 15 120.670 0.1 . 1 . . . . 31 GLU N . 15110 1 342 . 1 1 31 31 GLY H H 1 8.111 0.015 . 1 . . . . 32 GLY H . 15110 1 343 . 1 1 31 31 GLY HA2 H 1 4.160 0.015 . 2 . . . . 32 GLY HA2 . 15110 1 344 . 1 1 31 31 GLY HA3 H 1 3.915 0.015 . 2 . . . . 32 GLY HA3 . 15110 1 345 . 1 1 31 31 GLY CA C 13 45.002 0.1 . 1 . . . . 32 GLY CA . 15110 1 346 . 1 1 31 31 GLY N N 15 109.125 0.1 . 1 . . . . 32 GLY N . 15110 1 347 . 1 1 32 32 SER H H 1 8.445 0.015 . 1 . . . . 33 SER H . 15110 1 348 . 1 1 32 32 SER HA H 1 4.146 0.015 . 1 . . . . 33 SER HA . 15110 1 349 . 1 1 32 32 SER HB2 H 1 3.867 0.015 . 1 . . . . 33 SER HB2 . 15110 1 350 . 1 1 32 32 SER HB3 H 1 3.867 0.015 . 1 . . . . 33 SER HB3 . 15110 1 351 . 1 1 32 32 SER C C 13 174.703 0.1 . 1 . . . . 33 SER C . 15110 1 352 . 1 1 32 32 SER CA C 13 60.958 0.1 . 1 . . . . 33 SER CA . 15110 1 353 . 1 1 32 32 SER CB C 13 63.546 0.1 . 1 . . . . 33 SER CB . 15110 1 354 . 1 1 32 32 SER N N 15 116.900 0.1 . 1 . . . . 33 SER N . 15110 1 355 . 1 1 33 33 LEU H H 1 7.769 0.015 . 1 . . . . 34 LEU H . 15110 1 356 . 1 1 33 33 LEU HA H 1 4.441 0.015 . 1 . . . . 34 LEU HA . 15110 1 357 . 1 1 33 33 LEU HB2 H 1 1.627 0.015 . 2 . . . . 34 LEU HB2 . 15110 1 358 . 1 1 33 33 LEU HB3 H 1 1.364 0.015 . 2 . . . . 34 LEU HB3 . 15110 1 359 . 1 1 33 33 LEU HG H 1 1.316 0.015 . 1 . . . . 34 LEU HG . 15110 1 360 . 1 1 33 33 LEU HD11 H 1 0.673 0.015 . 2 . . . . 34 LEU QD1 . 15110 1 361 . 1 1 33 33 LEU HD12 H 1 0.673 0.015 . 2 . . . . 34 LEU QD1 . 15110 1 362 . 1 1 33 33 LEU HD13 H 1 0.673 0.015 . 2 . . . . 34 LEU QD1 . 15110 1 363 . 1 1 33 33 LEU HD21 H 1 0.816 0.015 . 2 . . . . 34 LEU QD2 . 15110 1 364 . 1 1 33 33 LEU HD22 H 1 0.816 0.015 . 2 . . . . 34 LEU QD2 . 15110 1 365 . 1 1 33 33 LEU HD23 H 1 0.816 0.015 . 2 . . . . 34 LEU QD2 . 15110 1 366 . 1 1 33 33 LEU C C 13 175.533 0.1 . 1 . . . . 34 LEU C . 15110 1 367 . 1 1 33 33 LEU CA C 13 54.426 0.1 . 1 . . . . 34 LEU CA . 15110 1 368 . 1 1 33 33 LEU CB C 13 42.434 0.1 . 1 . . . . 34 LEU CB . 15110 1 369 . 1 1 33 33 LEU CG C 13 27.631 0.1 . 1 . . . . 34 LEU CG . 15110 1 370 . 1 1 33 33 LEU CD1 C 13 24.941 0.1 . 1 . . . . 34 LEU CD1 . 15110 1 371 . 1 1 33 33 LEU CD2 C 13 24.395 0.1 . 1 . . . . 34 LEU CD2 . 15110 1 372 . 1 1 33 33 LEU N N 15 122.709 0.1 . 1 . . . . 34 LEU N . 15110 1 373 . 1 1 34 34 ARG H H 1 8.298 0.015 . 1 . . . . 35 ARG H . 15110 1 374 . 1 1 34 34 ARG HA H 1 4.217 0.015 . 1 . . . . 35 ARG HA . 15110 1 375 . 1 1 34 34 ARG HB2 H 1 1.694 0.015 . 1 . . . . 35 ARG HB2 . 15110 1 376 . 1 1 34 34 ARG HB3 H 1 1.694 0.015 . 1 . . . . 35 ARG HB3 . 15110 1 377 . 1 1 34 34 ARG HG2 H 1 1.575 0.015 . 2 . . . . 35 ARG HG2 . 15110 1 378 . 1 1 34 34 ARG HG3 H 1 1.406 0.015 . 2 . . . . 35 ARG HG3 . 15110 1 379 . 1 1 34 34 ARG HD2 H 1 3.173 0.015 . 1 . . . . 35 ARG HD2 . 15110 1 380 . 1 1 34 34 ARG HD3 H 1 3.173 0.015 . 1 . . . . 35 ARG HD3 . 15110 1 381 . 1 1 34 34 ARG C C 13 174.345 0.1 . 1 . . . . 35 ARG C . 15110 1 382 . 1 1 34 34 ARG CA C 13 56.104 0.1 . 1 . . . . 35 ARG CA . 15110 1 383 . 1 1 34 34 ARG CB C 13 29.896 0.1 . 1 . . . . 35 ARG CB . 15110 1 384 . 1 1 34 34 ARG CG C 13 27.631 0.1 . 1 . . . . 35 ARG CG . 15110 1 385 . 1 1 34 34 ARG CD C 13 43.485 0.1 . 1 . . . . 35 ARG CD . 15110 1 386 . 1 1 34 34 ARG N N 15 126.852 0.1 . 1 . . . . 35 ARG N . 15110 1 387 . 1 1 35 35 ALA H H 1 8.125 0.015 . 1 . . . . 36 ALA H . 15110 1 388 . 1 1 35 35 ALA HA H 1 4.648 0.015 . 1 . . . . 36 ALA HA . 15110 1 389 . 1 1 35 35 ALA HB1 H 1 1.178 0.015 . 1 . . . . 36 ALA QB . 15110 1 390 . 1 1 35 35 ALA HB2 H 1 1.178 0.015 . 1 . . . . 36 ALA QB . 15110 1 391 . 1 1 35 35 ALA HB3 H 1 1.178 0.015 . 1 . . . . 36 ALA QB . 15110 1 392 . 1 1 35 35 ALA C C 13 176.034 0.1 . 1 . . . . 36 ALA C . 15110 1 393 . 1 1 35 35 ALA CA C 13 51.433 0.1 . 1 . . . . 36 ALA CA . 15110 1 394 . 1 1 35 35 ALA CB C 13 22.777 0.1 . 1 . . . . 36 ALA CB . 15110 1 395 . 1 1 35 35 ALA N N 15 124.258 0.1 . 1 . . . . 36 ALA N . 15110 1 396 . 1 1 36 36 VAL H H 1 8.322 0.015 . 1 . . . . 37 VAL H . 15110 1 397 . 1 1 36 36 VAL HA H 1 4.243 0.015 . 1 . . . . 37 VAL HA . 15110 1 398 . 1 1 36 36 VAL HB H 1 1.152 0.015 . 1 . . . . 37 VAL HB . 15110 1 399 . 1 1 36 36 VAL HG11 H 1 0.523 0.015 . 2 . . . . 37 VAL QG1 . 15110 1 400 . 1 1 36 36 VAL HG12 H 1 0.523 0.015 . 2 . . . . 37 VAL QG1 . 15110 1 401 . 1 1 36 36 VAL HG13 H 1 0.523 0.015 . 2 . . . . 37 VAL QG1 . 15110 1 402 . 1 1 36 36 VAL HG21 H 1 -0.173 0.015 . 2 . . . . 37 VAL QG2 . 15110 1 403 . 1 1 36 36 VAL HG22 H 1 -0.173 0.015 . 2 . . . . 37 VAL QG2 . 15110 1 404 . 1 1 36 36 VAL HG23 H 1 -0.173 0.015 . 2 . . . . 37 VAL QG2 . 15110 1 405 . 1 1 36 36 VAL C C 13 174.545 0.1 . 1 . . . . 37 VAL C . 15110 1 406 . 1 1 36 36 VAL CA C 13 62.252 0.1 . 1 . . . . 37 VAL CA . 15110 1 407 . 1 1 36 36 VAL CB C 13 33.111 0.1 . 1 . . . . 37 VAL CB . 15110 1 408 . 1 1 36 36 VAL CG1 C 13 22.136 0.1 . 1 . . . . 37 VAL CG1 . 15110 1 409 . 1 1 36 36 VAL CG2 C 13 20.741 0.1 . 1 . . . . 37 VAL CG2 . 15110 1 410 . 1 1 36 36 VAL N N 15 120.654 0.1 . 1 . . . . 37 VAL N . 15110 1 411 . 1 1 37 37 ILE H H 1 8.957 0.015 . 1 . . . . 38 ILE H . 15110 1 412 . 1 1 37 37 ILE HA H 1 4.616 0.015 . 1 . . . . 38 ILE HA . 15110 1 413 . 1 1 37 37 ILE HB H 1 1.767 0.015 . 1 . . . . 38 ILE HB . 15110 1 414 . 1 1 37 37 ILE HG12 H 1 1.409 0.015 . 2 . . . . 38 ILE HG12 . 15110 1 415 . 1 1 37 37 ILE HG13 H 1 0.891 0.015 . 2 . . . . 38 ILE HG13 . 15110 1 416 . 1 1 37 37 ILE HG21 H 1 0.702 0.015 . 1 . . . . 38 ILE QG2 . 15110 1 417 . 1 1 37 37 ILE HG22 H 1 0.702 0.015 . 1 . . . . 38 ILE QG2 . 15110 1 418 . 1 1 37 37 ILE HG23 H 1 0.702 0.015 . 1 . . . . 38 ILE QG2 . 15110 1 419 . 1 1 37 37 ILE HD11 H 1 0.663 0.015 . 1 . . . . 38 ILE QD1 . 15110 1 420 . 1 1 37 37 ILE HD12 H 1 0.663 0.015 . 1 . . . . 38 ILE QD1 . 15110 1 421 . 1 1 37 37 ILE HD13 H 1 0.663 0.015 . 1 . . . . 38 ILE QD1 . 15110 1 422 . 1 1 37 37 ILE C C 13 176.821 0.1 . 1 . . . . 38 ILE C . 15110 1 423 . 1 1 37 37 ILE CA C 13 60.634 0.1 . 1 . . . . 38 ILE CA . 15110 1 424 . 1 1 37 37 ILE CB C 13 38.005 0.1 . 1 . . . . 38 ILE CB . 15110 1 425 . 1 1 37 37 ILE CG1 C 13 27.954 0.1 . 1 . . . . 38 ILE CG1 . 15110 1 426 . 1 1 37 37 ILE CG2 C 13 18.253 0.1 . 1 . . . . 38 ILE CG2 . 15110 1 427 . 1 1 37 37 ILE CD1 C 13 14.108 0.1 . 1 . . . . 38 ILE CD1 . 15110 1 428 . 1 1 37 37 ILE N N 15 126.627 0.1 . 1 . . . . 38 ILE N . 15110 1 429 . 1 1 38 38 PHE H H 1 9.307 0.015 . 1 . . . . 39 PHE H . 15110 1 430 . 1 1 38 38 PHE HA H 1 5.470 0.015 . 1 . . . . 39 PHE HA . 15110 1 431 . 1 1 38 38 PHE HB2 H 1 2.977 0.015 . 1 . . . . 39 PHE HB2 . 15110 1 432 . 1 1 38 38 PHE HB3 H 1 2.977 0.015 . 1 . . . . 39 PHE HB3 . 15110 1 433 . 1 1 38 38 PHE HD1 H 1 7.217 0.015 . 1 . . . . 39 PHE HD1 . 15110 1 434 . 1 1 38 38 PHE HD2 H 1 7.217 0.015 . 1 . . . . 39 PHE HD2 . 15110 1 435 . 1 1 38 38 PHE HE1 H 1 6.835 0.015 . 1 . . . . 39 PHE HE1 . 15110 1 436 . 1 1 38 38 PHE HE2 H 1 6.835 0.015 . 1 . . . . 39 PHE HE2 . 15110 1 437 . 1 1 38 38 PHE HZ H 1 6.988 0.015 . 1 . . . . 39 PHE HZ . 15110 1 438 . 1 1 38 38 PHE C C 13 175.132 0.1 . 1 . . . . 39 PHE C . 15110 1 439 . 1 1 38 38 PHE CA C 13 56.104 0.1 . 1 . . . . 39 PHE CA . 15110 1 440 . 1 1 38 38 PHE CB C 13 41.544 0.1 . 1 . . . . 39 PHE CB . 15110 1 441 . 1 1 38 38 PHE CD1 C 13 131.530 0.1 . 1 . . . . 39 PHE CD1 . 15110 1 442 . 1 1 38 38 PHE CE1 C 13 131.530 0.1 . 1 . . . . 39 PHE CE1 . 15110 1 443 . 1 1 38 38 PHE CZ C 13 129.459 0.1 . 1 . . . . 39 PHE CZ . 15110 1 444 . 1 1 38 38 PHE N N 15 126.595 0.1 . 1 . . . . 39 PHE N . 15110 1 445 . 1 1 39 39 ILE H H 1 8.440 0.015 . 1 . . . . 40 ILE H . 15110 1 446 . 1 1 39 39 ILE HA H 1 5.261 0.015 . 1 . . . . 40 ILE HA . 15110 1 447 . 1 1 39 39 ILE HB H 1 1.912 0.015 . 1 . . . . 40 ILE HB . 15110 1 448 . 1 1 39 39 ILE HG12 H 1 1.397 0.015 . 2 . . . . 40 ILE HG12 . 15110 1 449 . 1 1 39 39 ILE HG13 H 1 1.216 0.015 . 2 . . . . 40 ILE HG13 . 15110 1 450 . 1 1 39 39 ILE HG21 H 1 0.935 0.015 . 1 . . . . 40 ILE QG2 . 15110 1 451 . 1 1 39 39 ILE HG22 H 1 0.935 0.015 . 1 . . . . 40 ILE QG2 . 15110 1 452 . 1 1 39 39 ILE HG23 H 1 0.935 0.015 . 1 . . . . 40 ILE QG2 . 15110 1 453 . 1 1 39 39 ILE HD11 H 1 0.748 0.015 . 1 . . . . 40 ILE QD1 . 15110 1 454 . 1 1 39 39 ILE HD12 H 1 0.748 0.015 . 1 . . . . 40 ILE QD1 . 15110 1 455 . 1 1 39 39 ILE HD13 H 1 0.748 0.015 . 1 . . . . 40 ILE QD1 . 15110 1 456 . 1 1 39 39 ILE C C 13 178.237 0.1 . 1 . . . . 40 ILE C . 15110 1 457 . 1 1 39 39 ILE CA C 13 58.875 0.1 . 1 . . . . 40 ILE CA . 15110 1 458 . 1 1 39 39 ILE CB C 13 37.560 0.1 . 1 . . . . 40 ILE CB . 15110 1 459 . 1 1 39 39 ILE CG1 C 13 27.631 0.1 . 1 . . . . 40 ILE CG1 . 15110 1 460 . 1 1 39 39 ILE CG2 C 13 16.979 0.1 . 1 . . . . 40 ILE CG2 . 15110 1 461 . 1 1 39 39 ILE CD1 C 13 11.357 0.1 . 1 . . . . 40 ILE CD1 . 15110 1 462 . 1 1 39 39 ILE N N 15 121.120 0.1 . 1 . . . . 40 ILE N . 15110 1 463 . 1 1 40 40 THR H H 1 9.486 0.015 . 1 . . . . 41 THR H . 15110 1 464 . 1 1 40 40 THR HA H 1 4.937 0.015 . 1 . . . . 41 THR HA . 15110 1 465 . 1 1 40 40 THR HB H 1 4.947 0.015 . 1 . . . . 41 THR HB . 15110 1 466 . 1 1 40 40 THR HG21 H 1 1.242 0.015 . 1 . . . . 41 THR QG2 . 15110 1 467 . 1 1 40 40 THR HG22 H 1 1.242 0.015 . 1 . . . . 41 THR QG2 . 15110 1 468 . 1 1 40 40 THR HG23 H 1 1.242 0.015 . 1 . . . . 41 THR QG2 . 15110 1 469 . 1 1 40 40 THR C C 13 176.921 0.1 . 1 . . . . 41 THR C . 15110 1 470 . 1 1 40 40 THR CA C 13 61.504 0.1 . 1 . . . . 41 THR CA . 15110 1 471 . 1 1 40 40 THR CB C 13 71.629 0.1 . 1 . . . . 41 THR CB . 15110 1 472 . 1 1 40 40 THR CG2 C 13 21.694 0.1 . 1 . . . . 41 THR CG2 . 15110 1 473 . 1 1 40 40 THR N N 15 118.085 0.1 . 1 . . . . 41 THR N . 15110 1 474 . 1 1 41 41 LYS H H 1 8.793 0.015 . 1 . . . . 42 LYS H . 15110 1 475 . 1 1 41 41 LYS HA H 1 3.967 0.015 . 1 . . . . 42 LYS HA . 15110 1 476 . 1 1 41 41 LYS HB2 H 1 2.041 0.015 . 2 . . . . 42 LYS HB2 . 15110 1 477 . 1 1 41 41 LYS HB3 H 1 1.816 0.015 . 2 . . . . 42 LYS HB3 . 15110 1 478 . 1 1 41 41 LYS HG2 H 1 1.305 0.015 . 2 . . . . 42 LYS HG2 . 15110 1 479 . 1 1 41 41 LYS HG3 H 1 1.240 0.015 . 2 . . . . 42 LYS HG3 . 15110 1 480 . 1 1 41 41 LYS HD2 H 1 1.680 0.015 . 1 . . . . 42 LYS HD2 . 15110 1 481 . 1 1 41 41 LYS HD3 H 1 1.680 0.015 . 1 . . . . 42 LYS HD3 . 15110 1 482 . 1 1 41 41 LYS HE2 H 1 2.916 0.015 . 2 . . . . 42 LYS HE2 . 15110 1 483 . 1 1 41 41 LYS HE3 H 1 2.836 0.015 . 2 . . . . 42 LYS HE3 . 15110 1 484 . 1 1 41 41 LYS C C 13 177.508 0.1 . 1 . . . . 42 LYS C . 15110 1 485 . 1 1 41 41 LYS CA C 13 60.310 0.1 . 1 . . . . 42 LYS CA . 15110 1 486 . 1 1 41 41 LYS CB C 13 32.484 0.1 . 1 . . . . 42 LYS CB . 15110 1 487 . 1 1 41 41 LYS CG C 13 27.388 0.1 . 1 . . . . 42 LYS CG . 15110 1 488 . 1 1 41 41 LYS CD C 13 29.896 0.1 . 1 . . . . 42 LYS CD . 15110 1 489 . 1 1 41 41 LYS CE C 13 42.425 0.1 . 1 . . . . 42 LYS CE . 15110 1 490 . 1 1 41 41 LYS N N 15 120.649 0.1 . 1 . . . . 42 LYS N . 15110 1 491 . 1 1 42 42 ARG H H 1 7.659 0.015 . 1 . . . . 43 ARG H . 15110 1 492 . 1 1 42 42 ARG HA H 1 4.472 0.015 . 1 . . . . 43 ARG HA . 15110 1 493 . 1 1 42 42 ARG HB2 H 1 1.761 0.015 . 2 . . . . 43 ARG HB2 . 15110 1 494 . 1 1 42 42 ARG HB3 H 1 1.671 0.015 . 2 . . . . 43 ARG HB3 . 15110 1 495 . 1 1 42 42 ARG HG2 H 1 1.734 0.015 . 1 . . . . 43 ARG HG2 . 15110 1 496 . 1 1 42 42 ARG HG3 H 1 1.734 0.015 . 1 . . . . 43 ARG HG3 . 15110 1 497 . 1 1 42 42 ARG HD2 H 1 3.123 0.015 . 1 . . . . 43 ARG HD2 . 15110 1 498 . 1 1 42 42 ARG HD3 H 1 3.123 0.015 . 1 . . . . 43 ARG HD3 . 15110 1 499 . 1 1 42 42 ARG C C 13 176.406 0.1 . 1 . . . . 43 ARG C . 15110 1 500 . 1 1 42 42 ARG CA C 13 56.104 0.1 . 1 . . . . 43 ARG CA . 15110 1 501 . 1 1 42 42 ARG CB C 13 30.866 0.1 . 1 . . . . 43 ARG CB . 15110 1 502 . 1 1 42 42 ARG CG C 13 27.954 0.1 . 1 . . . . 43 ARG CG . 15110 1 503 . 1 1 42 42 ARG CD C 13 43.485 0.1 . 1 . . . . 43 ARG CD . 15110 1 504 . 1 1 42 42 ARG N N 15 115.732 0.1 . 1 . . . . 43 ARG N . 15110 1 505 . 1 1 43 43 GLY H H 1 8.037 0.015 . 1 . . . . 44 GLY H . 15110 1 506 . 1 1 43 43 GLY HA2 H 1 4.194 0.015 . 2 . . . . 44 GLY HA2 . 15110 1 507 . 1 1 43 43 GLY HA3 H 1 3.545 0.015 . 2 . . . . 44 GLY HA3 . 15110 1 508 . 1 1 43 43 GLY C C 13 174.188 0.1 . 1 . . . . 44 GLY C . 15110 1 509 . 1 1 43 43 GLY CA C 13 45.750 0.1 . 1 . . . . 44 GLY CA . 15110 1 510 . 1 1 43 43 GLY N N 15 108.483 0.1 . 1 . . . . 44 GLY N . 15110 1 511 . 1 1 44 44 LEU H H 1 7.338 0.015 . 1 . . . . 45 LEU H . 15110 1 512 . 1 1 44 44 LEU HA H 1 4.424 0.015 . 1 . . . . 45 LEU HA . 15110 1 513 . 1 1 44 44 LEU HB2 H 1 1.653 0.015 . 1 . . . . 45 LEU HB2 . 15110 1 514 . 1 1 44 44 LEU HB3 H 1 1.653 0.015 . 1 . . . . 45 LEU HB3 . 15110 1 515 . 1 1 44 44 LEU HG H 1 1.473 0.015 . 1 . . . . 45 LEU HG . 15110 1 516 . 1 1 44 44 LEU HD11 H 1 0.889 0.015 . 2 . . . . 45 LEU QD1 . 15110 1 517 . 1 1 44 44 LEU HD12 H 1 0.889 0.015 . 2 . . . . 45 LEU QD1 . 15110 1 518 . 1 1 44 44 LEU HD13 H 1 0.889 0.015 . 2 . . . . 45 LEU QD1 . 15110 1 519 . 1 1 44 44 LEU HD21 H 1 0.812 0.015 . 2 . . . . 45 LEU QD2 . 15110 1 520 . 1 1 44 44 LEU HD22 H 1 0.812 0.015 . 2 . . . . 45 LEU QD2 . 15110 1 521 . 1 1 44 44 LEU HD23 H 1 0.812 0.015 . 2 . . . . 45 LEU QD2 . 15110 1 522 . 1 1 44 44 LEU C C 13 175.561 0.1 . 1 . . . . 45 LEU C . 15110 1 523 . 1 1 44 44 LEU CA C 13 54.810 0.1 . 1 . . . . 45 LEU CA . 15110 1 524 . 1 1 44 44 LEU CB C 13 42.520 0.1 . 1 . . . . 45 LEU CB . 15110 1 525 . 1 1 44 44 LEU CG C 13 27.631 0.1 . 1 . . . . 45 LEU CG . 15110 1 526 . 1 1 44 44 LEU CD1 C 13 24.456 0.1 . 1 . . . . 45 LEU CD1 . 15110 1 527 . 1 1 44 44 LEU CD2 C 13 24.072 0.1 . 1 . . . . 45 LEU CD2 . 15110 1 528 . 1 1 44 44 LEU N N 15 121.649 0.1 . 1 . . . . 45 LEU N . 15110 1 529 . 1 1 45 45 LYS H H 1 8.355 0.015 . 1 . . . . 46 LYS H . 15110 1 530 . 1 1 45 45 LYS HA H 1 5.199 0.015 . 1 . . . . 46 LYS HA . 15110 1 531 . 1 1 45 45 LYS HB2 H 1 1.732 0.015 . 2 . . . . 46 LYS HB2 . 15110 1 532 . 1 1 45 45 LYS HB3 H 1 1.658 0.015 . 2 . . . . 46 LYS HB3 . 15110 1 533 . 1 1 45 45 LYS HG2 H 1 1.425 0.015 . 2 . . . . 46 LYS HG2 . 15110 1 534 . 1 1 45 45 LYS HG3 H 1 1.190 0.015 . 2 . . . . 46 LYS HG3 . 15110 1 535 . 1 1 45 45 LYS HD2 H 1 1.671 0.015 . 1 . . . . 46 LYS HD2 . 15110 1 536 . 1 1 45 45 LYS HD3 H 1 1.671 0.015 . 1 . . . . 46 LYS HD3 . 15110 1 537 . 1 1 45 45 LYS HE2 H 1 2.950 0.015 . 1 . . . . 46 LYS HE2 . 15110 1 538 . 1 1 45 45 LYS HE3 H 1 2.950 0.015 . 1 . . . . 46 LYS HE3 . 15110 1 539 . 1 1 45 45 LYS C C 13 176.391 0.1 . 1 . . . . 46 LYS C . 15110 1 540 . 1 1 45 45 LYS CA C 13 55.680 0.1 . 1 . . . . 46 LYS CA . 15110 1 541 . 1 1 45 45 LYS CB C 13 34.102 0.1 . 1 . . . . 46 LYS CB . 15110 1 542 . 1 1 45 45 LYS CG C 13 25.690 0.1 . 1 . . . . 46 LYS CG . 15110 1 543 . 1 1 45 45 LYS CD C 13 30.219 0.1 . 1 . . . . 46 LYS CD . 15110 1 544 . 1 1 45 45 LYS CE C 13 42.515 0.1 . 1 . . . . 46 LYS CE . 15110 1 545 . 1 1 45 45 LYS N N 15 123.319 0.1 . 1 . . . . 46 LYS N . 15110 1 546 . 1 1 46 46 VAL H H 1 9.404 0.015 . 1 . . . . 47 VAL H . 15110 1 547 . 1 1 46 46 VAL HA H 1 4.443 0.015 . 1 . . . . 47 VAL HA . 15110 1 548 . 1 1 46 46 VAL HB H 1 2.145 0.015 . 1 . . . . 47 VAL HB . 15110 1 549 . 1 1 46 46 VAL HG11 H 1 1.130 0.015 . 2 . . . . 47 VAL QG1 . 15110 1 550 . 1 1 46 46 VAL HG12 H 1 1.130 0.015 . 2 . . . . 47 VAL QG1 . 15110 1 551 . 1 1 46 46 VAL HG13 H 1 1.130 0.015 . 2 . . . . 47 VAL QG1 . 15110 1 552 . 1 1 46 46 VAL HG21 H 1 0.958 0.015 . 2 . . . . 47 VAL QG2 . 15110 1 553 . 1 1 46 46 VAL HG22 H 1 0.958 0.015 . 2 . . . . 47 VAL QG2 . 15110 1 554 . 1 1 46 46 VAL HG23 H 1 0.958 0.015 . 2 . . . . 47 VAL QG2 . 15110 1 555 . 1 1 46 46 VAL C C 13 174.545 0.1 . 1 . . . . 47 VAL C . 15110 1 556 . 1 1 46 46 VAL CA C 13 61.605 0.1 . 1 . . . . 47 VAL CA . 15110 1 557 . 1 1 46 46 VAL CB C 13 36.043 0.1 . 1 . . . . 47 VAL CB . 15110 1 558 . 1 1 46 46 VAL CG1 C 13 21.165 0.1 . 1 . . . . 47 VAL CG1 . 15110 1 559 . 1 1 46 46 VAL CG2 C 13 20.842 0.1 . 1 . . . . 47 VAL CG2 . 15110 1 560 . 1 1 46 46 VAL N N 15 126.723 0.1 . 1 . . . . 47 VAL N . 15110 1 561 . 1 1 47 47 CYS H H 1 8.940 0.015 . 1 . . . . 48 CYS H . 15110 1 562 . 1 1 47 47 CYS HA H 1 5.304 0.015 . 1 . . . . 48 CYS HA . 15110 1 563 . 1 1 47 47 CYS HB2 H 1 3.748 0.015 . 2 . . . . 48 CYS HB2 . 15110 1 564 . 1 1 47 47 CYS HB3 H 1 2.746 0.015 . 2 . . . . 48 CYS HB3 . 15110 1 565 . 1 1 47 47 CYS C C 13 173.286 0.1 . 1 . . . . 48 CYS C . 15110 1 566 . 1 1 47 47 CYS CA C 13 56.650 0.1 . 1 . . . . 48 CYS CA . 15110 1 567 . 1 1 47 47 CYS CB C 13 47.044 0.1 . 1 . . . . 48 CYS CB . 15110 1 568 . 1 1 47 47 CYS N N 15 125.471 0.1 . 1 . . . . 48 CYS N . 15110 1 569 . 1 1 48 48 ALA H H 1 9.694 0.015 . 1 . . . . 49 ALA H . 15110 1 570 . 1 1 48 48 ALA HA H 1 4.927 0.015 . 1 . . . . 49 ALA HA . 15110 1 571 . 1 1 48 48 ALA HB1 H 1 1.217 0.015 . 1 . . . . 49 ALA QB . 15110 1 572 . 1 1 48 48 ALA HB2 H 1 1.217 0.015 . 1 . . . . 49 ALA QB . 15110 1 573 . 1 1 48 48 ALA HB3 H 1 1.217 0.015 . 1 . . . . 49 ALA QB . 15110 1 574 . 1 1 48 48 ALA C C 13 175.104 0.1 . 1 . . . . 49 ALA C . 15110 1 575 . 1 1 48 48 ALA CA C 13 50.786 0.1 . 1 . . . . 49 ALA CA . 15110 1 576 . 1 1 48 48 ALA CB C 13 24.719 0.1 . 1 . . . . 49 ALA CB . 15110 1 577 . 1 1 48 48 ALA N N 15 127.978 0.1 . 1 . . . . 49 ALA N . 15110 1 578 . 1 1 49 49 ASP H H 1 8.532 0.015 . 1 . . . . 50 ASP H . 15110 1 579 . 1 1 49 49 ASP HA H 1 4.613 0.015 . 1 . . . . 50 ASP HA . 15110 1 580 . 1 1 49 49 ASP HB2 H 1 2.874 0.015 . 2 . . . . 50 ASP HB2 . 15110 1 581 . 1 1 49 49 ASP HB3 H 1 2.628 0.015 . 2 . . . . 50 ASP HB3 . 15110 1 582 . 1 1 49 49 ASP CA C 13 51.574 0.1 . 1 . . . . 50 ASP CA . 15110 1 583 . 1 1 49 49 ASP CB C 13 42.764 0.1 . 1 . . . . 50 ASP CB . 15110 1 584 . 1 1 49 49 ASP N N 15 121.955 0.1 . 1 . . . . 50 ASP N . 15110 1 585 . 1 1 50 50 PRO HA H 1 4.012 0.015 . 1 . . . . 51 PRO HA . 15110 1 586 . 1 1 50 50 PRO HB2 H 1 2.054 0.015 . 2 . . . . 51 PRO HB2 . 15110 1 587 . 1 1 50 50 PRO HB3 H 1 1.834 0.015 . 2 . . . . 51 PRO HB3 . 15110 1 588 . 1 1 50 50 PRO HG2 H 1 1.764 0.015 . 1 . . . . 51 PRO HG2 . 15110 1 589 . 1 1 50 50 PRO HG3 H 1 1.764 0.015 . 1 . . . . 51 PRO HG3 . 15110 1 590 . 1 1 50 50 PRO HD2 H 1 4.207 0.015 . 2 . . . . 51 PRO HD2 . 15110 1 591 . 1 1 50 50 PRO HD3 H 1 3.938 0.015 . 2 . . . . 51 PRO HD3 . 15110 1 592 . 1 1 50 50 PRO C C 13 176.935 0.1 . 1 . . . . 51 PRO C . 15110 1 593 . 1 1 50 50 PRO CA C 13 63.870 0.1 . 1 . . . . 51 PRO CA . 15110 1 594 . 1 1 50 50 PRO CB C 13 32.434 0.1 . 1 . . . . 51 PRO CB . 15110 1 595 . 1 1 50 50 PRO CG C 13 27.206 0.1 . 1 . . . . 51 PRO CG . 15110 1 596 . 1 1 50 50 PRO CD C 13 51.190 0.1 . 1 . . . . 51 PRO CD . 15110 1 597 . 1 1 51 51 GLN H H 1 8.241 0.015 . 1 . . . . 52 GLN H . 15110 1 598 . 1 1 51 51 GLN HA H 1 4.100 0.015 . 1 . . . . 52 GLN HA . 15110 1 599 . 1 1 51 51 GLN HB2 H 1 2.104 0.015 . 2 . . . . 52 GLN HB2 . 15110 1 600 . 1 1 51 51 GLN HB3 H 1 1.959 0.015 . 2 . . . . 52 GLN HB3 . 15110 1 601 . 1 1 51 51 GLN HG2 H 1 2.384 0.015 . 2 . . . . 52 GLN HG2 . 15110 1 602 . 1 1 51 51 GLN HG3 H 1 2.190 0.015 . 2 . . . . 52 GLN HG3 . 15110 1 603 . 1 1 51 51 GLN C C 13 177.035 0.1 . 1 . . . . 52 GLN C . 15110 1 604 . 1 1 51 51 GLN CA C 13 55.437 0.1 . 1 . . . . 52 GLN CA . 15110 1 605 . 1 1 51 51 GLN CB C 13 29.673 0.1 . 1 . . . . 52 GLN CB . 15110 1 606 . 1 1 51 51 GLN CG C 13 34.628 0.1 . 1 . . . . 52 GLN CG . 15110 1 607 . 1 1 51 51 GLN N N 15 112.914 0.1 . 1 . . . . 52 GLN N . 15110 1 608 . 1 1 52 52 ALA H H 1 7.435 0.015 . 1 . . . . 53 ALA H . 15110 1 609 . 1 1 52 52 ALA HA H 1 4.352 0.015 . 1 . . . . 53 ALA HA . 15110 1 610 . 1 1 52 52 ALA HB1 H 1 1.357 0.015 . 1 . . . . 53 ALA QB . 15110 1 611 . 1 1 52 52 ALA HB2 H 1 1.357 0.015 . 1 . . . . 53 ALA QB . 15110 1 612 . 1 1 52 52 ALA HB3 H 1 1.357 0.015 . 1 . . . . 53 ALA QB . 15110 1 613 . 1 1 52 52 ALA C C 13 179.125 0.1 . 1 . . . . 53 ALA C . 15110 1 614 . 1 1 52 52 ALA CA C 13 52.221 0.1 . 1 . . . . 53 ALA CA . 15110 1 615 . 1 1 52 52 ALA CB C 13 18.799 0.1 . 1 . . . . 53 ALA CB . 15110 1 616 . 1 1 52 52 ALA N N 15 123.994 0.1 . 1 . . . . 53 ALA N . 15110 1 617 . 1 1 53 53 THR H H 1 8.859 0.015 . 1 . . . . 54 THR H . 15110 1 618 . 1 1 53 53 THR HA H 1 3.708 0.015 . 1 . . . . 54 THR HA . 15110 1 619 . 1 1 53 53 THR HB H 1 4.288 0.015 . 1 . . . . 54 THR HB . 15110 1 620 . 1 1 53 53 THR HG21 H 1 1.299 0.015 . 1 . . . . 54 THR QG2 . 15110 1 621 . 1 1 53 53 THR HG22 H 1 1.299 0.015 . 1 . . . . 54 THR QG2 . 15110 1 622 . 1 1 53 53 THR HG23 H 1 1.299 0.015 . 1 . . . . 54 THR QG2 . 15110 1 623 . 1 1 53 53 THR C C 13 176.864 0.1 . 1 . . . . 54 THR C . 15110 1 624 . 1 1 53 53 THR CA C 13 66.998 0.1 . 1 . . . . 54 THR CA . 15110 1 625 . 1 1 53 53 THR CB C 13 68.374 0.1 . 1 . . . . 54 THR CB . 15110 1 626 . 1 1 53 53 THR CG2 C 13 22.555 0.1 . 1 . . . . 54 THR CG2 . 15110 1 627 . 1 1 53 53 THR N N 15 120.429 0.1 . 1 . . . . 54 THR N . 15110 1 628 . 1 1 54 54 TRP H H 1 8.330 0.015 . 1 . . . . 55 TRP H . 15110 1 629 . 1 1 54 54 TRP HA H 1 4.512 0.015 . 1 . . . . 55 TRP HA . 15110 1 630 . 1 1 54 54 TRP HB2 H 1 3.633 0.015 . 2 . . . . 55 TRP HB2 . 15110 1 631 . 1 1 54 54 TRP HB3 H 1 3.144 0.015 . 2 . . . . 55 TRP HB3 . 15110 1 632 . 1 1 54 54 TRP HD1 H 1 7.674 0.015 . 1 . . . . 55 TRP HD1 . 15110 1 633 . 1 1 54 54 TRP HE1 H 1 10.353 0.015 . 1 . . . . 55 TRP HE1 . 15110 1 634 . 1 1 54 54 TRP HE3 H 1 7.496 0.015 . 1 . . . . 55 TRP HE3 . 15110 1 635 . 1 1 54 54 TRP HZ2 H 1 7.386 0.015 . 1 . . . . 55 TRP HZ2 . 15110 1 636 . 1 1 54 54 TRP HZ3 H 1 6.723 0.015 . 1 . . . . 55 TRP HZ3 . 15110 1 637 . 1 1 54 54 TRP HH2 H 1 6.890 0.015 . 1 . . . . 55 TRP HH2 . 15110 1 638 . 1 1 54 54 TRP C C 13 177.880 0.1 . 1 . . . . 55 TRP C . 15110 1 639 . 1 1 54 54 TRP CA C 13 59.239 0.1 . 1 . . . . 55 TRP CA . 15110 1 640 . 1 1 54 54 TRP CB C 13 26.984 0.1 . 1 . . . . 55 TRP CB . 15110 1 641 . 1 1 54 54 TRP CD1 C 13 128.165 0.1 . 1 . . . . 55 TRP CD1 . 15110 1 642 . 1 1 54 54 TRP CE3 C 13 121.953 0.1 . 1 . . . . 55 TRP CE3 . 15110 1 643 . 1 1 54 54 TRP CZ2 C 13 116.258 0.1 . 1 . . . . 55 TRP CZ2 . 15110 1 644 . 1 1 54 54 TRP CZ3 C 13 122.211 0.1 . 1 . . . . 55 TRP CZ3 . 15110 1 645 . 1 1 54 54 TRP CH2 C 13 123.764 0.1 . 1 . . . . 55 TRP CH2 . 15110 1 646 . 1 1 54 54 TRP N N 15 118.310 0.1 . 1 . . . . 55 TRP N . 15110 1 647 . 1 1 54 54 TRP NE1 N 15 130.736 0.1 . 1 . . . . 55 TRP NE1 . 15110 1 648 . 1 1 55 55 VAL H H 1 5.832 0.015 . 1 . . . . 56 VAL H . 15110 1 649 . 1 1 55 55 VAL HA H 1 2.768 0.015 . 1 . . . . 56 VAL HA . 15110 1 650 . 1 1 55 55 VAL HB H 1 1.870 0.015 . 1 . . . . 56 VAL HB . 15110 1 651 . 1 1 55 55 VAL HG11 H 1 -0.506 0.015 . 2 . . . . 56 VAL QG1 . 15110 1 652 . 1 1 55 55 VAL HG12 H 1 -0.506 0.015 . 2 . . . . 56 VAL QG1 . 15110 1 653 . 1 1 55 55 VAL HG13 H 1 -0.506 0.015 . 2 . . . . 56 VAL QG1 . 15110 1 654 . 1 1 55 55 VAL HG21 H 1 0.427 0.015 . 2 . . . . 56 VAL QG2 . 15110 1 655 . 1 1 55 55 VAL HG22 H 1 0.427 0.015 . 2 . . . . 56 VAL QG2 . 15110 1 656 . 1 1 55 55 VAL HG23 H 1 0.427 0.015 . 2 . . . . 56 VAL QG2 . 15110 1 657 . 1 1 55 55 VAL C C 13 177.436 0.1 . 1 . . . . 56 VAL C . 15110 1 658 . 1 1 55 55 VAL CA C 13 65.987 0.1 . 1 . . . . 56 VAL CA . 15110 1 659 . 1 1 55 55 VAL CB C 13 31.372 0.1 . 1 . . . . 56 VAL CB . 15110 1 660 . 1 1 55 55 VAL CG1 C 13 22.075 0.1 . 1 . . . . 56 VAL CG1 . 15110 1 661 . 1 1 55 55 VAL CG2 C 13 20.781 0.1 . 1 . . . . 56 VAL CG2 . 15110 1 662 . 1 1 55 55 VAL N N 15 124.797 0.1 . 1 . . . . 56 VAL N . 15110 1 663 . 1 1 56 56 ARG H H 1 7.541 0.015 . 1 . . . . 57 ARG H . 15110 1 664 . 1 1 56 56 ARG HA H 1 3.727 0.015 . 1 . . . . 57 ARG HA . 15110 1 665 . 1 1 56 56 ARG HB2 H 1 1.823 0.015 . 1 . . . . 57 ARG HB2 . 15110 1 666 . 1 1 56 56 ARG HB3 H 1 1.823 0.015 . 1 . . . . 57 ARG HB3 . 15110 1 667 . 1 1 56 56 ARG HG2 H 1 1.709 0.015 . 2 . . . . 57 ARG HG2 . 15110 1 668 . 1 1 56 56 ARG HG3 H 1 1.449 0.015 . 2 . . . . 57 ARG HG3 . 15110 1 669 . 1 1 56 56 ARG HD2 H 1 3.076 0.015 . 1 . . . . 57 ARG HD2 . 15110 1 670 . 1 1 56 56 ARG HD3 H 1 3.076 0.015 . 1 . . . . 57 ARG HD3 . 15110 1 671 . 1 1 56 56 ARG C C 13 179.597 0.1 . 1 . . . . 57 ARG C . 15110 1 672 . 1 1 56 56 ARG CA C 13 59.562 0.1 . 1 . . . . 57 ARG CA . 15110 1 673 . 1 1 56 56 ARG CB C 13 30.219 0.1 . 1 . . . . 57 ARG CB . 15110 1 674 . 1 1 56 56 ARG CG C 13 27.606 0.1 . 1 . . . . 57 ARG CG . 15110 1 675 . 1 1 56 56 ARG CD C 13 43.829 0.1 . 1 . . . . 57 ARG CD . 15110 1 676 . 1 1 56 56 ARG N N 15 119.145 0.1 . 1 . . . . 57 ARG N . 15110 1 677 . 1 1 57 57 ASP H H 1 8.477 0.015 . 1 . . . . 58 ASP H . 15110 1 678 . 1 1 57 57 ASP HA H 1 4.430 0.015 . 1 . . . . 58 ASP HA . 15110 1 679 . 1 1 57 57 ASP HB2 H 1 2.805 0.015 . 2 . . . . 58 ASP HB2 . 15110 1 680 . 1 1 57 57 ASP HB3 H 1 2.731 0.015 . 2 . . . . 58 ASP HB3 . 15110 1 681 . 1 1 57 57 ASP C C 13 179.382 0.1 . 1 . . . . 58 ASP C . 15110 1 682 . 1 1 57 57 ASP CA C 13 57.722 0.1 . 1 . . . . 58 ASP CA . 15110 1 683 . 1 1 57 57 ASP CB C 13 40.288 0.1 . 1 . . . . 58 ASP CB . 15110 1 684 . 1 1 57 57 ASP N N 15 118.920 0.1 . 1 . . . . 58 ASP N . 15110 1 685 . 1 1 58 58 CYS H H 1 8.005 0.015 . 1 . . . . 59 CYS H . 15110 1 686 . 1 1 58 58 CYS HA H 1 4.869 0.015 . 1 . . . . 59 CYS HA . 15110 1 687 . 1 1 58 58 CYS HB2 H 1 3.029 0.015 . 2 . . . . 59 CYS HB2 . 15110 1 688 . 1 1 58 58 CYS HB3 H 1 2.797 0.015 . 2 . . . . 59 CYS HB3 . 15110 1 689 . 1 1 58 58 CYS C C 13 177.579 0.1 . 1 . . . . 59 CYS C . 15110 1 690 . 1 1 58 58 CYS CA C 13 55.720 0.1 . 1 . . . . 59 CYS CA . 15110 1 691 . 1 1 58 58 CYS CB C 13 34.102 0.1 . 1 . . . . 59 CYS CB . 15110 1 692 . 1 1 58 58 CYS N N 15 118.566 0.1 . 1 . . . . 59 CYS N . 15110 1 693 . 1 1 59 59 VAL H H 1 8.672 0.015 . 1 . . . . 60 VAL H . 15110 1 694 . 1 1 59 59 VAL HA H 1 3.162 0.015 . 1 . . . . 60 VAL HA . 15110 1 695 . 1 1 59 59 VAL HB H 1 1.859 0.015 . 1 . . . . 60 VAL HB . 15110 1 696 . 1 1 59 59 VAL HG11 H 1 0.398 0.015 . 2 . . . . 60 VAL QG1 . 15110 1 697 . 1 1 59 59 VAL HG12 H 1 0.398 0.015 . 2 . . . . 60 VAL QG1 . 15110 1 698 . 1 1 59 59 VAL HG13 H 1 0.398 0.015 . 2 . . . . 60 VAL QG1 . 15110 1 699 . 1 1 59 59 VAL HG21 H 1 0.480 0.015 . 2 . . . . 60 VAL QG2 . 15110 1 700 . 1 1 59 59 VAL HG22 H 1 0.480 0.015 . 2 . . . . 60 VAL QG2 . 15110 1 701 . 1 1 59 59 VAL HG23 H 1 0.480 0.015 . 2 . . . . 60 VAL QG2 . 15110 1 702 . 1 1 59 59 VAL C C 13 177.565 0.1 . 1 . . . . 60 VAL C . 15110 1 703 . 1 1 59 59 VAL CA C 13 67.605 0.1 . 1 . . . . 60 VAL CA . 15110 1 704 . 1 1 59 59 VAL CB C 13 31.837 0.1 . 1 . . . . 60 VAL CB . 15110 1 705 . 1 1 59 59 VAL CG1 C 13 22.676 0.1 . 1 . . . . 60 VAL CG1 . 15110 1 706 . 1 1 59 59 VAL CG2 C 13 20.842 0.1 . 1 . . . . 60 VAL CG2 . 15110 1 707 . 1 1 59 59 VAL N N 15 122.709 0.1 . 1 . . . . 60 VAL N . 15110 1 708 . 1 1 60 60 ARG H H 1 7.989 0.015 . 1 . . . . 61 ARG H . 15110 1 709 . 1 1 60 60 ARG HA H 1 4.095 0.015 . 1 . . . . 61 ARG HA . 15110 1 710 . 1 1 60 60 ARG HB2 H 1 1.931 0.015 . 1 . . . . 61 ARG HB2 . 15110 1 711 . 1 1 60 60 ARG HB3 H 1 1.931 0.015 . 1 . . . . 61 ARG HB3 . 15110 1 712 . 1 1 60 60 ARG HG2 H 1 1.756 0.015 . 2 . . . . 61 ARG HG2 . 15110 1 713 . 1 1 60 60 ARG HG3 H 1 1.615 0.015 . 2 . . . . 61 ARG HG3 . 15110 1 714 . 1 1 60 60 ARG HD2 H 1 3.170 0.015 . 1 . . . . 61 ARG HD2 . 15110 1 715 . 1 1 60 60 ARG HD3 H 1 3.170 0.015 . 1 . . . . 61 ARG HD3 . 15110 1 716 . 1 1 60 60 ARG C C 13 179.296 0.1 . 1 . . . . 61 ARG C . 15110 1 717 . 1 1 60 60 ARG CA C 13 59.562 0.1 . 1 . . . . 61 ARG CA . 15110 1 718 . 1 1 60 60 ARG CB C 13 30.219 0.1 . 1 . . . . 61 ARG CB . 15110 1 719 . 1 1 60 60 ARG CG C 13 27.954 0.1 . 1 . . . . 61 ARG CG . 15110 1 720 . 1 1 60 60 ARG CD C 13 43.809 0.1 . 1 . . . . 61 ARG CD . 15110 1 721 . 1 1 60 60 ARG N N 15 117.988 0.1 . 1 . . . . 61 ARG N . 15110 1 722 . 1 1 61 61 SER H H 1 7.785 0.015 . 1 . . . . 62 SER H . 15110 1 723 . 1 1 61 61 SER HA H 1 4.259 0.015 . 1 . . . . 62 SER HA . 15110 1 724 . 1 1 61 61 SER HB2 H 1 4.093 0.015 . 1 . . . . 62 SER HB2 . 15110 1 725 . 1 1 61 61 SER HB3 H 1 4.093 0.015 . 1 . . . . 62 SER HB3 . 15110 1 726 . 1 1 61 61 SER C C 13 176.706 0.1 . 1 . . . . 62 SER C . 15110 1 727 . 1 1 61 61 SER CA C 13 61.989 0.1 . 1 . . . . 62 SER CA . 15110 1 728 . 1 1 61 61 SER CB C 13 63.546 0.1 . 1 . . . . 62 SER CB . 15110 1 729 . 1 1 61 61 SER N N 15 113.878 0.1 . 1 . . . . 62 SER N . 15110 1 730 . 1 1 62 62 MET H H 1 8.102 0.015 . 1 . . . . 63 MET H . 15110 1 731 . 1 1 62 62 MET HA H 1 4.297 0.015 . 1 . . . . 63 MET HA . 15110 1 732 . 1 1 62 62 MET HB2 H 1 2.334 0.015 . 1 . . . . 63 MET HB2 . 15110 1 733 . 1 1 62 62 MET HB3 H 1 2.334 0.015 . 1 . . . . 63 MET HB3 . 15110 1 734 . 1 1 62 62 MET HG2 H 1 2.643 0.015 . 2 . . . . 63 MET HG2 . 15110 1 735 . 1 1 62 62 MET HG3 H 1 2.716 0.015 . 2 . . . . 63 MET HG3 . 15110 1 736 . 1 1 62 62 MET C C 13 178.438 0.1 . 1 . . . . 63 MET C . 15110 1 737 . 1 1 62 62 MET CA C 13 58.268 0.1 . 1 . . . . 63 MET CA . 15110 1 738 . 1 1 62 62 MET CB C 13 33.455 0.1 . 1 . . . . 63 MET CB . 15110 1 739 . 1 1 62 62 MET CG C 13 33.455 0.1 . 1 . . . . 63 MET CG . 15110 1 740 . 1 1 62 62 MET N N 15 121.521 0.1 . 1 . . . . 63 MET N . 15110 1 741 . 1 1 63 63 ASP H H 1 8.458 0.015 . 1 . . . . 64 ASP H . 15110 1 742 . 1 1 63 63 ASP HA H 1 4.648 0.015 . 1 . . . . 64 ASP HA . 15110 1 743 . 1 1 63 63 ASP HB2 H 1 2.797 0.015 . 1 . . . . 64 ASP HB2 . 15110 1 744 . 1 1 63 63 ASP HB3 H 1 2.797 0.015 . 1 . . . . 64 ASP HB3 . 15110 1 745 . 1 1 63 63 ASP C C 13 177.894 0.1 . 1 . . . . 64 ASP C . 15110 1 746 . 1 1 63 63 ASP CA C 13 56.428 0.1 . 1 . . . . 64 ASP CA . 15110 1 747 . 1 1 63 63 ASP CB C 13 40.553 0.1 . 1 . . . . 64 ASP CB . 15110 1 748 . 1 1 63 63 ASP N N 15 121.478 0.1 . 1 . . . . 64 ASP N . 15110 1 749 . 1 1 64 64 ARG H H 1 7.977 0.015 . 1 . . . . 65 ARG H . 15110 1 750 . 1 1 64 64 ARG C C 13 177.665 0.1 . 1 . . . . 65 ARG C . 15110 1 751 . 1 1 64 64 ARG CA C 13 57.956 0.1 . 1 . . . . 65 ARG CA . 15110 1 752 . 1 1 64 64 ARG CB C 13 30.587 0.1 . 1 . . . . 65 ARG CB . 15110 1 753 . 1 1 64 64 ARG CG C 13 27.457 0.1 . 1 . . . . 65 ARG CG . 15110 1 754 . 1 1 64 64 ARG CD C 13 43.915 0.1 . 1 . . . . 65 ARG CD . 15110 1 755 . 1 1 64 64 ARG N N 15 120.128 0.1 . 1 . . . . 65 ARG N . 15110 1 756 . 1 1 65 65 LYS H H 1 7.982 0.015 . 1 . . . . 66 LYS H . 15110 1 757 . 1 1 65 65 LYS HA H 1 4.288 0.015 . 1 . . . . 66 LYS HA . 15110 1 758 . 1 1 65 65 LYS HB2 H 1 1.931 0.015 . 1 . . . . 66 LYS HB2 . 15110 1 759 . 1 1 65 65 LYS HB3 H 1 1.931 0.015 . 1 . . . . 66 LYS HB3 . 15110 1 760 . 1 1 65 65 LYS HG2 H 1 1.563 0.015 . 2 . . . . 66 LYS HG2 . 15110 1 761 . 1 1 65 65 LYS HG3 H 1 1.512 0.015 . 2 . . . . 66 LYS HG3 . 15110 1 762 . 1 1 65 65 LYS HD2 H 1 1.730 0.015 . 1 . . . . 66 LYS HD2 . 15110 1 763 . 1 1 65 65 LYS HD3 H 1 1.730 0.015 . 1 . . . . 66 LYS HD3 . 15110 1 764 . 1 1 65 65 LYS HE2 H 1 3.028 0.015 . 1 . . . . 66 LYS HE2 . 15110 1 765 . 1 1 65 65 LYS HE3 H 1 3.028 0.015 . 1 . . . . 66 LYS HE3 . 15110 1 766 . 1 1 65 65 LYS C C 13 177.450 0.1 . 1 . . . . 66 LYS C . 15110 1 767 . 1 1 65 65 LYS CA C 13 57.398 0.1 . 1 . . . . 66 LYS CA . 15110 1 768 . 1 1 65 65 LYS CB C 13 32.808 0.1 . 1 . . . . 66 LYS CB . 15110 1 769 . 1 1 65 65 LYS CG C 13 25.032 0.1 . 1 . . . . 66 LYS CG . 15110 1 770 . 1 1 65 65 LYS CD C 13 29.269 0.1 . 1 . . . . 66 LYS CD . 15110 1 771 . 1 1 65 65 LYS CE C 13 42.515 0.1 . 1 . . . . 66 LYS CE . 15110 1 772 . 1 1 65 65 LYS N N 15 120.255 0.1 . 1 . . . . 66 LYS N . 15110 1 773 . 1 1 66 66 SER H H 1 8.111 0.015 . 1 . . . . 67 SER H . 15110 1 774 . 1 1 66 66 SER HA H 1 4.444 0.015 . 1 . . . . 67 SER HA . 15110 1 775 . 1 1 66 66 SER HB2 H 1 3.958 0.015 . 1 . . . . 67 SER HB2 . 15110 1 776 . 1 1 66 66 SER HB3 H 1 3.958 0.015 . 1 . . . . 67 SER HB3 . 15110 1 777 . 1 1 66 66 SER C C 13 174.746 0.1 . 1 . . . . 67 SER C . 15110 1 778 . 1 1 66 66 SER CA C 13 59.117 0.1 . 1 . . . . 67 SER CA . 15110 1 779 . 1 1 66 66 SER CB C 13 63.870 0.1 . 1 . . . . 67 SER CB . 15110 1 780 . 1 1 66 66 SER N N 15 115.387 0.1 . 1 . . . . 67 SER N . 15110 1 781 . 1 1 67 67 ASN H H 1 8.316 0.015 . 1 . . . . 68 ASN H . 15110 1 782 . 1 1 67 67 ASN HA H 1 4.754 0.015 . 1 . . . . 68 ASN HA . 15110 1 783 . 1 1 67 67 ASN HB2 H 1 2.930 0.015 . 2 . . . . 68 ASN HB2 . 15110 1 784 . 1 1 67 67 ASN HB3 H 1 2.806 0.015 . 2 . . . . 68 ASN HB3 . 15110 1 785 . 1 1 67 67 ASN C C 13 175.747 0.1 . 1 . . . . 68 ASN C . 15110 1 786 . 1 1 67 67 ASN CA C 13 53.839 0.1 . 1 . . . . 68 ASN CA . 15110 1 787 . 1 1 67 67 ASN CB C 13 38.955 0.1 . 1 . . . . 68 ASN CB . 15110 1 788 . 1 1 67 67 ASN N N 15 120.610 0.1 . 1 . . . . 68 ASN N . 15110 1 789 . 1 1 68 68 THR H H 1 8.065 0.015 . 1 . . . . 69 THR H . 15110 1 790 . 1 1 68 68 THR HA H 1 4.318 0.015 . 1 . . . . 69 THR HA . 15110 1 791 . 1 1 68 68 THR HB H 1 4.238 0.015 . 1 . . . . 69 THR HB . 15110 1 792 . 1 1 68 68 THR HG21 H 1 1.218 0.015 . 1 . . . . 69 THR QG2 . 15110 1 793 . 1 1 68 68 THR HG22 H 1 1.218 0.015 . 1 . . . . 69 THR QG2 . 15110 1 794 . 1 1 68 68 THR HG23 H 1 1.218 0.015 . 1 . . . . 69 THR QG2 . 15110 1 795 . 1 1 68 68 THR C C 13 174.903 0.1 . 1 . . . . 69 THR C . 15110 1 796 . 1 1 68 68 THR CA C 13 62.575 0.1 . 1 . . . . 69 THR CA . 15110 1 797 . 1 1 68 68 THR CB C 13 70.012 0.1 . 1 . . . . 69 THR CB . 15110 1 798 . 1 1 68 68 THR CG2 C 13 21.813 0.1 . 1 . . . . 69 THR CG2 . 15110 1 799 . 1 1 68 68 THR N N 15 114.194 0.1 . 1 . . . . 69 THR N . 15110 1 800 . 1 1 69 69 ARG H H 1 8.257 0.015 . 1 . . . . 70 ARG H . 15110 1 801 . 1 1 69 69 ARG HA H 1 4.339 0.015 . 1 . . . . 70 ARG HA . 15110 1 802 . 1 1 69 69 ARG HB2 H 1 1.833 0.015 . 1 . . . . 70 ARG HB2 . 15110 1 803 . 1 1 69 69 ARG HB3 H 1 1.833 0.015 . 1 . . . . 70 ARG HB3 . 15110 1 804 . 1 1 69 69 ARG HG2 H 1 1.627 0.015 . 1 . . . . 70 ARG HG2 . 15110 1 805 . 1 1 69 69 ARG HG3 H 1 1.627 0.015 . 1 . . . . 70 ARG HG3 . 15110 1 806 . 1 1 69 69 ARG HD2 H 1 3.208 0.015 . 1 . . . . 70 ARG HD2 . 15110 1 807 . 1 1 69 69 ARG HD3 H 1 3.208 0.015 . 1 . . . . 70 ARG HD3 . 15110 1 808 . 1 1 69 69 ARG C C 13 176.263 0.1 . 1 . . . . 70 ARG C . 15110 1 809 . 1 1 69 69 ARG CA C 13 56.751 0.1 . 1 . . . . 70 ARG CA . 15110 1 810 . 1 1 69 69 ARG CB C 13 30.866 0.1 . 1 . . . . 70 ARG CB . 15110 1 811 . 1 1 69 69 ARG CG C 13 26.984 0.1 . 1 . . . . 70 ARG CG . 15110 1 812 . 1 1 69 69 ARG CD C 13 43.485 0.1 . 1 . . . . 70 ARG CD . 15110 1 813 . 1 1 69 69 ARG N N 15 122.870 0.1 . 1 . . . . 70 ARG N . 15110 1 814 . 1 1 70 70 ASN H H 1 8.355 0.015 . 1 . . . . 71 ASN H . 15110 1 815 . 1 1 70 70 ASN HA H 1 4.725 0.015 . 1 . . . . 71 ASN HA . 15110 1 816 . 1 1 70 70 ASN HB2 H 1 2.800 0.015 . 1 . . . . 71 ASN HB2 . 15110 1 817 . 1 1 70 70 ASN HB3 H 1 2.800 0.015 . 1 . . . . 71 ASN HB3 . 15110 1 818 . 1 1 70 70 ASN C C 13 175.161 0.1 . 1 . . . . 71 ASN C . 15110 1 819 . 1 1 70 70 ASN CA C 13 54.304 0.1 . 1 . . . . 71 ASN CA . 15110 1 820 . 1 1 70 70 ASN CB C 13 39.279 0.1 . 1 . . . . 71 ASN CB . 15110 1 821 . 1 1 70 70 ASN N N 15 119.466 0.1 . 1 . . . . 71 ASN N . 15110 1 822 . 1 1 71 71 ASN H H 1 8.347 0.015 . 1 . . . . 72 ASN H . 15110 1 823 . 1 1 71 71 ASN HA H 1 4.738 0.015 . 1 . . . . 72 ASN HA . 15110 1 824 . 1 1 71 71 ASN HB2 H 1 2.810 0.015 . 1 . . . . 72 ASN HB2 . 15110 1 825 . 1 1 71 71 ASN HB3 H 1 2.810 0.015 . 1 . . . . 72 ASN HB3 . 15110 1 826 . 1 1 71 71 ASN C C 13 175.261 0.1 . 1 . . . . 72 ASN C . 15110 1 827 . 1 1 71 71 ASN CA C 13 54.304 0.1 . 1 . . . . 72 ASN CA . 15110 1 828 . 1 1 71 71 ASN CB C 13 39.279 0.1 . 1 . . . . 72 ASN CB . 15110 1 829 . 1 1 71 71 ASN N N 15 119.177 0.1 . 1 . . . . 72 ASN N . 15110 1 830 . 1 1 72 72 MET H H 1 8.208 0.015 . 1 . . . . 73 MET H . 15110 1 831 . 1 1 72 72 MET HA H 1 4.442 0.015 . 1 . . . . 73 MET HA . 15110 1 832 . 1 1 72 72 MET HB2 H 1 2.077 0.015 . 2 . . . . 73 MET HB2 . 15110 1 833 . 1 1 72 72 MET HB3 H 1 1.987 0.015 . 2 . . . . 73 MET HB3 . 15110 1 834 . 1 1 72 72 MET HG2 H 1 2.566 0.015 . 2 . . . . 73 MET HG2 . 15110 1 835 . 1 1 72 72 MET HG3 H 1 2.489 0.015 . 2 . . . . 73 MET HG3 . 15110 1 836 . 1 1 72 72 MET C C 13 176.234 0.1 . 1 . . . . 73 MET C . 15110 1 837 . 1 1 72 72 MET CA C 13 55.801 0.1 . 1 . . . . 73 MET CA . 15110 1 838 . 1 1 72 72 MET CB C 13 33.131 0.1 . 1 . . . . 73 MET CB . 15110 1 839 . 1 1 72 72 MET CG C 13 32.181 0.1 . 1 . . . . 73 MET CG . 15110 1 840 . 1 1 72 72 MET N N 15 120.301 0.1 . 1 . . . . 73 MET N . 15110 1 841 . 1 1 73 73 ILE H H 1 8.037 0.015 . 1 . . . . 74 ILE H . 15110 1 842 . 1 1 73 73 ILE HA H 1 4.140 0.015 . 1 . . . . 74 ILE HA . 15110 1 843 . 1 1 73 73 ILE HB H 1 1.859 0.015 . 1 . . . . 74 ILE HB . 15110 1 844 . 1 1 73 73 ILE HG12 H 1 1.464 0.015 . 2 . . . . 74 ILE HG12 . 15110 1 845 . 1 1 73 73 ILE HG13 H 1 1.165 0.015 . 2 . . . . 74 ILE HG13 . 15110 1 846 . 1 1 73 73 ILE HG21 H 1 0.886 0.015 . 1 . . . . 74 ILE QG2 . 15110 1 847 . 1 1 73 73 ILE HG22 H 1 0.886 0.015 . 1 . . . . 74 ILE QG2 . 15110 1 848 . 1 1 73 73 ILE HG23 H 1 0.886 0.015 . 1 . . . . 74 ILE QG2 . 15110 1 849 . 1 1 73 73 ILE HD11 H 1 0.856 0.015 . 1 . . . . 74 ILE QD1 . 15110 1 850 . 1 1 73 73 ILE HD12 H 1 0.856 0.015 . 1 . . . . 74 ILE QD1 . 15110 1 851 . 1 1 73 73 ILE HD13 H 1 0.856 0.015 . 1 . . . . 74 ILE QD1 . 15110 1 852 . 1 1 73 73 ILE C C 13 176.205 0.1 . 1 . . . . 74 ILE C . 15110 1 853 . 1 1 73 73 ILE CA C 13 61.301 0.1 . 1 . . . . 74 ILE CA . 15110 1 854 . 1 1 73 73 ILE CB C 13 38.693 0.1 . 1 . . . . 74 ILE CB . 15110 1 855 . 1 1 73 73 ILE CG1 C 13 27.631 0.1 . 1 . . . . 74 ILE CG1 . 15110 1 856 . 1 1 73 73 ILE CG2 C 13 17.586 0.1 . 1 . . . . 74 ILE CG2 . 15110 1 857 . 1 1 73 73 ILE CD1 C 13 13.076 0.1 . 1 . . . . 74 ILE CD1 . 15110 1 858 . 1 1 73 73 ILE N N 15 121.971 0.1 . 1 . . . . 74 ILE N . 15110 1 859 . 1 1 74 74 GLN H H 1 8.436 0.015 . 1 . . . . 75 GLN H . 15110 1 860 . 1 1 74 74 GLN HA H 1 4.433 0.015 . 1 . . . . 75 GLN HA . 15110 1 861 . 1 1 74 74 GLN HB2 H 1 2.101 0.015 . 2 . . . . 75 GLN HB2 . 15110 1 862 . 1 1 74 74 GLN HB3 H 1 1.966 0.015 . 2 . . . . 75 GLN HB3 . 15110 1 863 . 1 1 74 74 GLN HG2 H 1 2.349 0.015 . 1 . . . . 75 GLN HG2 . 15110 1 864 . 1 1 74 74 GLN HG3 H 1 2.349 0.015 . 1 . . . . 75 GLN HG3 . 15110 1 865 . 1 1 74 74 GLN C C 13 176.077 0.1 . 1 . . . . 75 GLN C . 15110 1 866 . 1 1 74 74 GLN CA C 13 56.104 0.1 . 1 . . . . 75 GLN CA . 15110 1 867 . 1 1 74 74 GLN CB C 13 29.997 0.1 . 1 . . . . 75 GLN CB . 15110 1 868 . 1 1 74 74 GLN CG C 13 34.426 0.1 . 1 . . . . 75 GLN CG . 15110 1 869 . 1 1 74 74 GLN N N 15 124.861 0.1 . 1 . . . . 75 GLN N . 15110 1 870 . 1 1 75 75 THR H H 1 8.184 0.015 . 1 . . . . 76 THR H . 15110 1 871 . 1 1 75 75 THR HA H 1 4.290 0.015 . 1 . . . . 76 THR HA . 15110 1 872 . 1 1 75 75 THR HB H 1 4.149 0.015 . 1 . . . . 76 THR HB . 15110 1 873 . 1 1 75 75 THR HG21 H 1 1.174 0.015 . 1 . . . . 76 THR QG2 . 15110 1 874 . 1 1 75 75 THR HG22 H 1 1.174 0.015 . 1 . . . . 76 THR QG2 . 15110 1 875 . 1 1 75 75 THR HG23 H 1 1.174 0.015 . 1 . . . . 76 THR QG2 . 15110 1 876 . 1 1 75 75 THR C C 13 174.259 0.1 . 1 . . . . 76 THR C . 15110 1 877 . 1 1 75 75 THR CA C 13 62.252 0.1 . 1 . . . . 76 THR CA . 15110 1 878 . 1 1 75 75 THR CB C 13 70.012 0.1 . 1 . . . . 76 THR CB . 15110 1 879 . 1 1 75 75 THR CG2 C 13 22.136 0.1 . 1 . . . . 76 THR CG2 . 15110 1 880 . 1 1 75 75 THR N N 15 116.640 0.1 . 1 . . . . 76 THR N . 15110 1 881 . 1 1 76 76 LYS H H 1 8.306 0.015 . 1 . . . . 77 LYS H . 15110 1 882 . 1 1 76 76 LYS HA H 1 4.607 0.015 . 1 . . . . 77 LYS HA . 15110 1 883 . 1 1 76 76 LYS HB2 H 1 1.814 0.015 . 1 . . . . 77 LYS HB2 . 15110 1 884 . 1 1 76 76 LYS HB3 H 1 1.814 0.015 . 1 . . . . 77 LYS HB3 . 15110 1 885 . 1 1 76 76 LYS HG2 H 1 1.454 0.015 . 1 . . . . 77 LYS HG2 . 15110 1 886 . 1 1 76 76 LYS HG3 H 1 1.454 0.015 . 1 . . . . 77 LYS HG3 . 15110 1 887 . 1 1 76 76 LYS HD2 H 1 1.689 0.015 . 1 . . . . 77 LYS HD2 . 15110 1 888 . 1 1 76 76 LYS HD3 H 1 1.689 0.015 . 1 . . . . 77 LYS HD3 . 15110 1 889 . 1 1 76 76 LYS HE2 H 1 2.990 0.015 . 1 . . . . 77 LYS HE2 . 15110 1 890 . 1 1 76 76 LYS HE3 H 1 2.990 0.015 . 1 . . . . 77 LYS HE3 . 15110 1 891 . 1 1 76 76 LYS CA C 13 54.486 0.1 . 1 . . . . 77 LYS CA . 15110 1 892 . 1 1 76 76 LYS CB C 13 32.808 0.1 . 1 . . . . 77 LYS CB . 15110 1 893 . 1 1 76 76 LYS CG C 13 24.618 0.1 . 1 . . . . 77 LYS CG . 15110 1 894 . 1 1 76 76 LYS CD C 13 29.572 0.1 . 1 . . . . 77 LYS CD . 15110 1 895 . 1 1 76 76 LYS CE C 13 42.515 0.1 . 1 . . . . 77 LYS CE . 15110 1 896 . 1 1 76 76 LYS N N 15 125.054 0.1 . 1 . . . . 77 LYS N . 15110 1 897 . 1 1 77 77 PRO HA H 1 4.501 0.015 . 1 . . . . 78 PRO HA . 15110 1 898 . 1 1 77 77 PRO HB2 H 1 2.294 0.015 . 2 . . . . 78 PRO HB2 . 15110 1 899 . 1 1 77 77 PRO HB3 H 1 1.922 0.015 . 2 . . . . 78 PRO HB3 . 15110 1 900 . 1 1 77 77 PRO HG2 H 1 2.015 0.015 . 1 . . . . 78 PRO HG2 . 15110 1 901 . 1 1 77 77 PRO HG3 H 1 2.015 0.015 . 1 . . . . 78 PRO HG3 . 15110 1 902 . 1 1 77 77 PRO HD2 H 1 3.830 0.015 . 2 . . . . 78 PRO HD2 . 15110 1 903 . 1 1 77 77 PRO HD3 H 1 3.649 0.015 . 2 . . . . 78 PRO HD3 . 15110 1 904 . 1 1 77 77 PRO C C 13 177.293 0.1 . 1 . . . . 78 PRO C . 15110 1 905 . 1 1 77 77 PRO CA C 13 63.243 0.1 . 1 . . . . 78 PRO CA . 15110 1 906 . 1 1 77 77 PRO CB C 13 32.484 0.1 . 1 . . . . 78 PRO CB . 15110 1 907 . 1 1 77 77 PRO CG C 13 27.489 0.1 . 1 . . . . 78 PRO CG . 15110 1 908 . 1 1 77 77 PRO CD C 13 50.826 0.1 . 1 . . . . 78 PRO CD . 15110 1 909 . 1 1 78 78 THR H H 1 8.265 0.015 . 1 . . . . 79 THR H . 15110 1 910 . 1 1 78 78 THR HA H 1 4.333 0.015 . 1 . . . . 79 THR HA . 15110 1 911 . 1 1 78 78 THR HB H 1 4.301 0.015 . 1 . . . . 79 THR HB . 15110 1 912 . 1 1 78 78 THR HG21 H 1 1.216 0.015 . 1 . . . . 79 THR QG2 . 15110 1 913 . 1 1 78 78 THR HG22 H 1 1.216 0.015 . 1 . . . . 79 THR QG2 . 15110 1 914 . 1 1 78 78 THR HG23 H 1 1.216 0.015 . 1 . . . . 79 THR QG2 . 15110 1 915 . 1 1 78 78 THR C C 13 175.390 0.1 . 1 . . . . 79 THR C . 15110 1 916 . 1 1 78 78 THR CA C 13 62.252 0.1 . 1 . . . . 79 THR CA . 15110 1 917 . 1 1 78 78 THR CB C 13 70.012 0.1 . 1 . . . . 79 THR CB . 15110 1 918 . 1 1 78 78 THR CG2 C 13 22.136 0.1 . 1 . . . . 79 THR CG2 . 15110 1 919 . 1 1 78 78 THR N N 15 114.488 0.1 . 1 . . . . 79 THR N . 15110 1 920 . 1 1 79 79 GLY H H 1 8.387 0.015 . 1 . . . . 80 GLY H . 15110 1 921 . 1 1 79 79 GLY HA2 H 1 4.045 0.015 . 1 . . . . 80 GLY HA2 . 15110 1 922 . 1 1 79 79 GLY HA3 H 1 4.045 0.015 . 1 . . . . 80 GLY HA3 . 15110 1 923 . 1 1 79 79 GLY C C 13 174.574 0.1 . 1 . . . . 80 GLY C . 15110 1 924 . 1 1 79 79 GLY CA C 13 45.750 0.1 . 1 . . . . 80 GLY CA . 15110 1 925 . 1 1 79 79 GLY N N 15 111.116 0.1 . 1 . . . . 80 GLY N . 15110 1 926 . 1 1 80 80 THR H H 1 8.094 0.015 . 1 . . . . 81 THR H . 15110 1 927 . 1 1 80 80 THR HA H 1 4.352 0.015 . 1 . . . . 81 THR HA . 15110 1 928 . 1 1 80 80 THR HB H 1 4.288 0.015 . 1 . . . . 81 THR HB . 15110 1 929 . 1 1 80 80 THR HG21 H 1 1.190 0.015 . 1 . . . . 81 THR QG2 . 15110 1 930 . 1 1 80 80 THR HG22 H 1 1.190 0.015 . 1 . . . . 81 THR QG2 . 15110 1 931 . 1 1 80 80 THR HG23 H 1 1.190 0.015 . 1 . . . . 81 THR QG2 . 15110 1 932 . 1 1 80 80 THR C C 13 174.917 0.1 . 1 . . . . 81 THR C . 15110 1 933 . 1 1 80 80 THR CA C 13 62.575 0.1 . 1 . . . . 81 THR CA . 15110 1 934 . 1 1 80 80 THR CB C 13 69.688 0.1 . 1 . . . . 81 THR CB . 15110 1 935 . 1 1 80 80 THR CG2 C 13 21.861 0.1 . 1 . . . . 81 THR CG2 . 15110 1 936 . 1 1 80 80 THR N N 15 113.814 0.1 . 1 . . . . 81 THR N . 15110 1 937 . 1 1 81 81 GLN H H 1 8.460 0.015 . 1 . . . . 82 GLN H . 15110 1 938 . 1 1 81 81 GLN HA H 1 4.337 0.015 . 1 . . . . 82 GLN HA . 15110 1 939 . 1 1 81 81 GLN HB2 H 1 2.103 0.015 . 2 . . . . 82 GLN HB2 . 15110 1 940 . 1 1 81 81 GLN HB3 H 1 2.013 0.015 . 2 . . . . 82 GLN HB3 . 15110 1 941 . 1 1 81 81 GLN HG2 H 1 2.360 0.015 . 1 . . . . 82 GLN HG2 . 15110 1 942 . 1 1 81 81 GLN HG3 H 1 2.360 0.015 . 1 . . . . 82 GLN HG3 . 15110 1 943 . 1 1 81 81 GLN C C 13 176.000 0.1 . 1 . . . . 82 GLN C . 15110 1 944 . 1 1 81 81 GLN CA C 13 56.104 0.1 . 1 . . . . 82 GLN CA . 15110 1 945 . 1 1 81 81 GLN CB C 13 29.572 0.1 . 1 . . . . 82 GLN CB . 15110 1 946 . 1 1 81 81 GLN CG C 13 33.779 0.1 . 1 . . . . 82 GLN CG . 15110 1 947 . 1 1 81 81 GLN N N 15 122.998 0.1 . 1 . . . . 82 GLN N . 15110 1 948 . 1 1 82 82 GLN H H 1 8.436 0.015 . 1 . . . . 83 GLN H . 15110 1 949 . 1 1 82 82 GLN HA H 1 4.332 0.015 . 1 . . . . 83 GLN HA . 15110 1 950 . 1 1 82 82 GLN HB2 H 1 2.103 0.015 . 2 . . . . 83 GLN HB2 . 15110 1 951 . 1 1 82 82 GLN HB3 H 1 2.000 0.015 . 2 . . . . 83 GLN HB3 . 15110 1 952 . 1 1 82 82 GLN HG2 H 1 2.373 0.015 . 1 . . . . 83 GLN HG2 . 15110 1 953 . 1 1 82 82 GLN HG3 H 1 2.373 0.015 . 1 . . . . 83 GLN HG3 . 15110 1 954 . 1 1 82 82 GLN C C 13 176.148 0.1 . 1 . . . . 83 GLN C . 15110 1 955 . 1 1 82 82 GLN CA C 13 56.104 0.1 . 1 . . . . 83 GLN CA . 15110 1 956 . 1 1 82 82 GLN CB C 13 29.572 0.1 . 1 . . . . 83 GLN CB . 15110 1 957 . 1 1 82 82 GLN CG C 13 33.920 0.1 . 1 . . . . 83 GLN CG . 15110 1 958 . 1 1 82 82 GLN N N 15 121.938 0.1 . 1 . . . . 83 GLN N . 15110 1 959 . 1 1 83 83 SER H H 1 8.404 0.015 . 1 . . . . 84 SER H . 15110 1 960 . 1 1 83 83 SER HA H 1 4.519 0.015 . 1 . . . . 84 SER HA . 15110 1 961 . 1 1 83 83 SER HB2 H 1 3.890 0.015 . 1 . . . . 84 SER HB2 . 15110 1 962 . 1 1 83 83 SER HB3 H 1 3.890 0.015 . 1 . . . . 84 SER HB3 . 15110 1 963 . 1 1 83 83 SER C C 13 174.903 0.1 . 1 . . . . 84 SER C . 15110 1 964 . 1 1 83 83 SER CA C 13 58.794 0.1 . 1 . . . . 84 SER CA . 15110 1 965 . 1 1 83 83 SER CB C 13 63.870 0.1 . 1 . . . . 84 SER CB . 15110 1 966 . 1 1 83 83 SER N N 15 117.410 0.1 . 1 . . . . 84 SER N . 15110 1 967 . 1 1 84 84 THR H H 1 8.192 0.015 . 1 . . . . 85 THR H . 15110 1 968 . 1 1 84 84 THR HA H 1 4.378 0.015 . 1 . . . . 85 THR HA . 15110 1 969 . 1 1 84 84 THR HB H 1 4.301 0.015 . 1 . . . . 85 THR HB . 15110 1 970 . 1 1 84 84 THR HG21 H 1 1.190 0.015 . 1 . . . . 85 THR QG2 . 15110 1 971 . 1 1 84 84 THR HG22 H 1 1.190 0.015 . 1 . . . . 85 THR QG2 . 15110 1 972 . 1 1 84 84 THR HG23 H 1 1.190 0.015 . 1 . . . . 85 THR QG2 . 15110 1 973 . 1 1 84 84 THR C C 13 174.417 0.1 . 1 . . . . 85 THR C . 15110 1 974 . 1 1 84 84 THR CA C 13 62.252 0.1 . 1 . . . . 85 THR CA . 15110 1 975 . 1 1 84 84 THR CB C 13 70.012 0.1 . 1 . . . . 85 THR CB . 15110 1 976 . 1 1 84 84 THR CG2 C 13 21.711 0.1 . 1 . . . . 85 THR CG2 . 15110 1 977 . 1 1 84 84 THR N N 15 115.612 0.1 . 1 . . . . 85 THR N . 15110 1 978 . 1 1 85 85 ASN H H 1 8.428 0.015 . 1 . . . . 86 ASN H . 15110 1 979 . 1 1 85 85 ASN HA H 1 4.764 0.015 . 1 . . . . 86 ASN HA . 15110 1 980 . 1 1 85 85 ASN HB2 H 1 2.861 0.015 . 2 . . . . 86 ASN HB2 . 15110 1 981 . 1 1 85 85 ASN HB3 H 1 2.771 0.015 . 2 . . . . 86 ASN HB3 . 15110 1 982 . 1 1 85 85 ASN C C 13 175.476 0.1 . 1 . . . . 86 ASN C . 15110 1 983 . 1 1 85 85 ASN CA C 13 53.839 0.1 . 1 . . . . 86 ASN CA . 15110 1 984 . 1 1 85 85 ASN CB C 13 38.895 0.1 . 1 . . . . 86 ASN CB . 15110 1 985 . 1 1 85 85 ASN N N 15 121.296 0.1 . 1 . . . . 86 ASN N . 15110 1 986 . 1 1 86 86 THR H H 1 8.102 0.015 . 1 . . . . 87 THR H . 15110 1 987 . 1 1 86 86 THR HA H 1 4.290 0.015 . 1 . . . . 87 THR HA . 15110 1 988 . 1 1 86 86 THR HB H 1 4.259 0.015 . 1 . . . . 87 THR HB . 15110 1 989 . 1 1 86 86 THR HG21 H 1 1.178 0.015 . 1 . . . . 87 THR QG2 . 15110 1 990 . 1 1 86 86 THR HG22 H 1 1.178 0.015 . 1 . . . . 87 THR QG2 . 15110 1 991 . 1 1 86 86 THR HG23 H 1 1.178 0.015 . 1 . . . . 87 THR QG2 . 15110 1 992 . 1 1 86 86 THR C C 13 174.359 0.1 . 1 . . . . 87 THR C . 15110 1 993 . 1 1 86 86 THR CA C 13 62.252 0.1 . 1 . . . . 87 THR CA . 15110 1 994 . 1 1 86 86 THR CB C 13 69.830 0.1 . 1 . . . . 87 THR CB . 15110 1 995 . 1 1 86 86 THR CG2 C 13 22.136 0.1 . 1 . . . . 87 THR CG2 . 15110 1 996 . 1 1 86 86 THR N N 15 114.938 0.1 . 1 . . . . 87 THR N . 15110 1 997 . 1 1 87 87 ALA H H 1 8.233 0.015 . 1 . . . . 88 ALA H . 15110 1 998 . 1 1 87 87 ALA HA H 1 4.367 0.015 . 1 . . . . 88 ALA HA . 15110 1 999 . 1 1 87 87 ALA HB1 H 1 1.382 0.015 . 1 . . . . 88 ALA QB . 15110 1 1000 . 1 1 87 87 ALA HB2 H 1 1.382 0.015 . 1 . . . . 88 ALA QB . 15110 1 1001 . 1 1 87 87 ALA HB3 H 1 1.382 0.015 . 1 . . . . 88 ALA QB . 15110 1 1002 . 1 1 87 87 ALA C C 13 177.708 0.1 . 1 . . . . 88 ALA C . 15110 1 1003 . 1 1 87 87 ALA CA C 13 52.869 0.1 . 1 . . . . 88 ALA CA . 15110 1 1004 . 1 1 87 87 ALA CB C 13 19.649 0.1 . 1 . . . . 88 ALA CB . 15110 1 1005 . 1 1 87 87 ALA N N 15 126.659 0.1 . 1 . . . . 88 ALA N . 15110 1 1006 . 1 1 88 88 VAL H H 1 8.037 0.015 . 1 . . . . 89 VAL H . 15110 1 1007 . 1 1 88 88 VAL HA H 1 4.147 0.015 . 1 . . . . 89 VAL HA . 15110 1 1008 . 1 1 88 88 VAL HB H 1 2.063 0.015 . 1 . . . . 89 VAL HB . 15110 1 1009 . 1 1 88 88 VAL HG11 H 1 0.933 0.015 . 2 . . . . 89 VAL QG1 . 15110 1 1010 . 1 1 88 88 VAL HG12 H 1 0.933 0.015 . 2 . . . . 89 VAL QG1 . 15110 1 1011 . 1 1 88 88 VAL HG13 H 1 0.933 0.015 . 2 . . . . 89 VAL QG1 . 15110 1 1012 . 1 1 88 88 VAL C C 13 176.363 0.1 . 1 . . . . 89 VAL C . 15110 1 1013 . 1 1 88 88 VAL CA C 13 62.575 0.1 . 1 . . . . 89 VAL CA . 15110 1 1014 . 1 1 88 88 VAL CB C 13 32.707 0.1 . 1 . . . . 89 VAL CB . 15110 1 1015 . 1 1 88 88 VAL CG1 C 13 20.842 0.1 . 1 . . . . 89 VAL CG1 . 15110 1 1016 . 1 1 88 88 VAL N N 15 119.498 0.1 . 1 . . . . 89 VAL N . 15110 1 1017 . 1 1 89 89 THR H H 1 8.184 0.015 . 1 . . . . 90 THR H . 15110 1 1018 . 1 1 89 89 THR HA H 1 4.359 0.015 . 1 . . . . 90 THR HA . 15110 1 1019 . 1 1 89 89 THR HB H 1 4.145 0.015 . 1 . . . . 90 THR HB . 15110 1 1020 . 1 1 89 89 THR HG21 H 1 1.175 0.015 . 1 . . . . 90 THR QG2 . 15110 1 1021 . 1 1 89 89 THR HG22 H 1 1.175 0.015 . 1 . . . . 90 THR QG2 . 15110 1 1022 . 1 1 89 89 THR HG23 H 1 1.175 0.015 . 1 . . . . 90 THR QG2 . 15110 1 1023 . 1 1 89 89 THR C C 13 174.431 0.1 . 1 . . . . 90 THR C . 15110 1 1024 . 1 1 89 89 THR CA C 13 61.544 0.1 . 1 . . . . 90 THR CA . 15110 1 1025 . 1 1 89 89 THR CB C 13 70.335 0.1 . 1 . . . . 90 THR CB . 15110 1 1026 . 1 1 89 89 THR CG2 C 13 22.136 0.1 . 1 . . . . 90 THR CG2 . 15110 1 1027 . 1 1 89 89 THR N N 15 118.695 0.1 . 1 . . . . 90 THR N . 15110 1 1028 . 1 1 90 90 LEU H H 1 8.371 0.015 . 1 . . . . 91 LEU H . 15110 1 1029 . 1 1 90 90 LEU HA H 1 4.469 0.015 . 1 . . . . 91 LEU HA . 15110 1 1030 . 1 1 90 90 LEU HB2 H 1 1.679 0.015 . 1 . . . . 91 LEU HB2 . 15110 1 1031 . 1 1 90 90 LEU HB3 H 1 1.679 0.015 . 1 . . . . 91 LEU HB3 . 15110 1 1032 . 1 1 90 90 LEU HG H 1 1.627 0.015 . 1 . . . . 91 LEU HG . 15110 1 1033 . 1 1 90 90 LEU HD11 H 1 0.921 0.015 . 2 . . . . 91 LEU QD1 . 15110 1 1034 . 1 1 90 90 LEU HD12 H 1 0.921 0.015 . 2 . . . . 91 LEU QD1 . 15110 1 1035 . 1 1 90 90 LEU HD13 H 1 0.921 0.015 . 2 . . . . 91 LEU QD1 . 15110 1 1036 . 1 1 90 90 LEU HD21 H 1 0.869 0.015 . 2 . . . . 91 LEU QD2 . 15110 1 1037 . 1 1 90 90 LEU HD22 H 1 0.869 0.015 . 2 . . . . 91 LEU QD2 . 15110 1 1038 . 1 1 90 90 LEU HD23 H 1 0.869 0.015 . 2 . . . . 91 LEU QD2 . 15110 1 1039 . 1 1 90 90 LEU C C 13 177.536 0.1 . 1 . . . . 91 LEU C . 15110 1 1040 . 1 1 90 90 LEU CA C 13 55.457 0.1 . 1 . . . . 91 LEU CA . 15110 1 1041 . 1 1 90 90 LEU CB C 13 42.838 0.1 . 1 . . . . 91 LEU CB . 15110 1 1042 . 1 1 90 90 LEU CG C 13 27.307 0.1 . 1 . . . . 91 LEU CG . 15110 1 1043 . 1 1 90 90 LEU CD1 C 13 25.366 0.1 . 1 . . . . 91 LEU CD1 . 15110 1 1044 . 1 1 90 90 LEU CD2 C 13 23.748 0.1 . 1 . . . . 91 LEU CD2 . 15110 1 1045 . 1 1 90 90 LEU N N 15 125.503 0.1 . 1 . . . . 91 LEU N . 15110 1 1046 . 1 1 91 91 THR H H 1 8.068 0.015 . 1 . . . . 92 THR H . 15110 1 1047 . 1 1 91 91 THR HA H 1 4.391 0.015 . 1 . . . . 92 THR HA . 15110 1 1048 . 1 1 91 91 THR HB H 1 4.262 0.015 . 1 . . . . 92 THR HB . 15110 1 1049 . 1 1 91 91 THR HG21 H 1 1.190 0.015 . 1 . . . . 92 THR QG2 . 15110 1 1050 . 1 1 91 91 THR HG22 H 1 1.190 0.015 . 1 . . . . 92 THR QG2 . 15110 1 1051 . 1 1 91 91 THR HG23 H 1 1.190 0.015 . 1 . . . . 92 THR QG2 . 15110 1 1052 . 1 1 91 91 THR C C 13 174.245 0.1 . 1 . . . . 92 THR C . 15110 1 1053 . 1 1 91 91 THR CA C 13 61.989 0.1 . 1 . . . . 92 THR CA . 15110 1 1054 . 1 1 91 91 THR CB C 13 70.012 0.1 . 1 . . . . 92 THR CB . 15110 1 1055 . 1 1 91 91 THR CG2 C 13 21.489 0.1 . 1 . . . . 92 THR CG2 . 15110 1 1056 . 1 1 91 91 THR N N 15 114.085 0.1 . 1 . . . . 92 THR N . 15110 1 1057 . 1 1 92 92 GLY H H 1 7.915 0.015 . 1 . . . . 93 GLY H . 15110 1 1058 . 1 1 92 92 GLY N N 15 117.346 0.1 . 1 . . . . 93 GLY N . 15110 1 stop_ save_